| 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 | 40.1 | Very low | 47.5 | Very low | 241 Ų | 241 | 164.3 Ų | 164.3 | 100% | 1.187 | 81% | 0.808 | S | S | * | * | 0 | 50.2 | 0 | -65.2 | 179 | 177 | 0 | 0 | 111.6 | |||||
| 2 | Y | 40.7 | Very low | 47.3 | Very low | 206 Ų | 206 | 160.2 Ų | 160.2 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -122.7 | 90.6 | 169.6 | -82.6 | -79.7 | 0 | 0 | 0 | 107.4 | ||||
| 3 | N | 45 | Very low | 46.8 | Very low | 131 Ų | 131 | 159.5 Ų | 159.5 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -148.6 | 47.2 | -179.3 | -136.8 | 4.6 | 0 | 0 | 0 | 112.1 | ||||
| 4 | M | 55.8 | Low | 46.3 | Very low | 154 Ų | 154 | 157.2 Ų | 157.2 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -124.6 | 10.3 | 176.8 | -77.5 | -109.3 | -78.2 | 0 | 0 | 113 | ||
| 5 | M | 58.6 | Low | 45.6 | Very low | 158 Ų | 158 | 158.9 Ų | 158.9 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -115.6 | 6.5 | -179 | 54.8 | -155.9 | -176 | 0 | 0 | 114.8 | ||
| 6 | E | 45.7 | Very low | 45.4 | Very low | 163 Ų | 163 | 156.3 Ų | 156.3 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -118.2 | -0.8 | 179.1 | -78.5 | -173 | 146.6 | 0 | 0 | 115.5 | E8 | E6-E8 PolarHBondContact O-N 3.45Š| ||
| 7 | T | 48.4 | Very low | 44.9 | Very low | 125 Ų | 125 | 156 Ų | 156 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -81.7 | 90.8 | 171.9 | 52.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 8 | E | 42.7 | Very low | 44.7 | Very low | 165 Ų | 165 | 153.9 Ų | 153.9 | 77% | 0.771 | 81% | 0.81 | S | S | * | * | trans | 71.6 | 85.3 | 154.3 | -52.3 | -149.7 | 165.9 | 0 | 0 | 118.5 | E6 K10 | E6-E8 PolarHBondContact O-N 3.45Å; E8-K10 VanDerWaalsContact C-N 3.29Å | ||
| 9 | I | 49.7 | Very low | 44 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -94.5 | 67.6 | 141.3 | -51.6 | -179.6 | 0 | 0 | 0 | 107.2 | ||||
| 10 | K | 48.1 | Very low | 43.7 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -89.5 | 99.9 | 161.8 | -162.5 | 109.4 | 177.9 | -171.1 | 0 | 106.7 | E8 P12 | E8-K10 VanDerWaalsContact C-N 3.29Å; K10-P12 VanDerWaalsContact O-CD 3.3Å; K10-P12 WeakPolarHBondContact O-CD 3.38Å | ||
| 11 | T | 47.9 | Very low | 43.4 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 72% | 0.718 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 118.2 | 168.3 | -42.4 | 0 | 0 | 0 | 0 | 108 | L13 | T11-L13 PolarHBondContact O-N 3.36Š|
| 12 | P | 44.5 | Very low | 43.7 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 129.5 | 171.3 | 28.5 | -27.3 | 0 | 0 | 0 | 108.7 | K10 | K10-P12 VanDerWaalsContact O-CD 3.3Å; K10-P12 WeakPolarHBondContact O-CD 3.38Å |
| 13 | L | 41 | Very low | 43.7 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 156.9 | 167.5 | -84.6 | 104.4 | 0 | 0 | 0 | 111.3 | T11 Q15 | T11-L13 PolarHBondContact O-N 3.36Å; L13-Q15 PolarHBondContact O-N 3.49Å |
| 14 | P | 39.4 | Very low | 43.5 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -73.5 | 97.9 | 174.9 | 31.6 | -30.6 | 0 | 0 | 0 | 108.9 | S16 | P14-S16 PolarHBondContact O-N 3.33Š| ||
| 15 | Q | 37.1 | Very low | 42.8 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -79.6 | 108.8 | 164 | -86.6 | -177.7 | -23.1 | 0 | 0 | 109 | L13 N17 | L13-Q15 PolarHBondContact O-N 3.49Å; Q15-N17 PolarHBondContact O-N 3.37Å | ||
| 16 | S | 41.2 | Very low | 41.9 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -60 | 108.9 | 156.9 | 51.7 | 0 | 0 | 0 | 0 | 108.6 | P14 | P14-S16 PolarHBondContact O-N 3.33Š| ||
| 17 | N | 37.5 | Very low | 42 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | -134.7 | 100.6 | 168.8 | -146.3 | 38.6 | 0 | 0 | 0 | 110.5 | Q15 | Q15-N17 PolarHBondContact O-N 3.37Š| ||
| 18 | S | 41.3 | Very low | 42.3 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -70.5 | 125.1 | 162.7 | 48.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 19 | G | 31.5 | Very low | 42.7 | Very low | 74 Ų | 74 | 127.1 Ų | 127.1 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | 173.7 | 82.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 20 | S | 37.9 | Very low | 42.9 | Very low | 131 Ų | 131 | 122.9 Ų | 122.9 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | -68.9 | 139.9 | 178.7 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 21 | A | 36.6 | Very low | 43.4 | Very low | 96 Ų | 96 | 119.2 Ų | 119.2 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | -146.6 | 144.6 | 146.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 22 | P | 46.3 | Very low | 43.9 | Very low | 137 Ų | 137 | 120.3 Ų | 120.3 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | trans | -100.5 | 147.1 | -148.1 | 36.4 | -30.4 | 0 | 0 | 0 | 112.9 | ||||
| 23 | G | 40.8 | Very low | 45.6 | Very low | 79 Ų | 79 | 123 Ų | 123 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | trans | 140.4 | 62.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 24 | A | 41.3 | Very low | 47.9 | Very low | 92 Ų | 92 | 122.1 Ų | 122.1 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -161.2 | 95.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 25 | K | 41.2 | Very low | 50.4 | Low | 196 Ų | 196 | 118.4 Ų | 118.4 | 85% | 0.852 | 72% | 0.721 | S | S | * | * | trans | 43.3 | 100.2 | 146.5 | -58.7 | -179.9 | -176.9 | 177 | 0 | 116.9 | N27 | K25-N27 VanDerWaalsContact C-N 3.27Å; K25-N27 PolarHBondContact O-N 2.7Å | ||
| 26 | N | 40.3 | Very low | 53.2 | Low | 162 Ų | 162 | 116.7 Ų | 116.7 | 87% | 0.866 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -56.9 | 73 | 168.2 | -69.8 | -23.3 | 0 | 0 | 0 | 114 | ||
| 27 | N | 47.8 | Very low | 55.9 | Low | 129 Ų | 129 | 118 Ų | 118 | 69% | 0.69 | 70% | 0.697 | S | S | * | * | trans | -128.9 | -1.9 | 160.6 | -94 | -27.3 | 0 | 0 | 0 | 112.2 | K25 | K25-N27 VanDerWaalsContact C-N 3.27Å; K25-N27 PolarHBondContact O-N 2.7Å | ||
| 28 | S | 53.4 | Low | 58.8 | Low | 62 Ų | 62 | 112.6 Ų | 112.6 | 43% | 0.434 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -80.9 | -24.3 | -175.5 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | S30 D31 Q32 | S28-S30 PolarHBondContact O-N 3.48Å; S28-D31 PolarHBondContact O-N 3.18Å; S28-Q32 VanDerWaalsContact O-CG 3.31Å; S28-Q32 WeakPolarHBondContact O-CG 3.38Å; S28-Q32 PolarHBondContact O-N 3.02Å |
| 29 | A | 51.8 | Low | 61.5 | Low | 83 Ų | 83 | 110.1 Ų | 110.1 | 69% | 0.686 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63.7 | -41.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 30 | S | 54.8 | Low | 64.7 | Low | 82 Ų | 82 | 110.8 Ų | 110.8 | 57% | 0.573 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.4 | -24.8 | 176.3 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | S28 | S28-S30 PolarHBondContact O-N 3.48Å |
| 31 | D | 58.1 | Low | 67.5 | Low | 99 Ų | 99 | 105.3 Ų | 105.3 | 53% | 0.529 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -77.9 | -20.4 | 175.1 | -91.2 | -15.3 | 0 | 0 | 0 | 112.8 | S28 | S28-D31 PolarHBondContact O-N 3.18Å |
| 32 | Q | 59 | Low | 70.5 | Confident | 140 Ų | 140 | 102.9 Ų | 102.9 | 65% | 0.654 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -73.7 | -31 | 172.8 | -65.2 | -49.4 | -14.2 | 0 | 0 | 112.5 | S28 R34 | S28-Q32 VanDerWaalsContact O-CG 3.31Å; S28-Q32 WeakPolarHBondContact O-CG 3.38Å; S28-Q32 PolarHBondContact O-N 3.02Å; Q32-R34 VanDerWaalsContact C-N 3.31Å |
| 33 | E | 80.3 | Confident | 72.9 | Confident | 172 Ų | 172 | 100.3 Ų | 100.3 | 80% | 0.804 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.3 | -29.2 | 176.3 | -171.1 | 173.8 | -161.2 | 0 | 0 | 111.6 | V35 | E33-V35 PolarHBondContact O-N 3.12Å |
| 34 | R | 88 | Confident | 75.7 | Confident | 133 Ų | 133 | 98 Ų | 98 | 50% | 0.502 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -76.2 | 113.1 | 179.1 | -173.5 | -178.3 | 176.8 | 107.2 | 1.9 | 111.4 | Q32 K36 R105 | Q32-R34 VanDerWaalsContact C-N 3.31Å; R34-K36 PolarHBondContact O-N 2.93Å; R34-K36 VanDerWaalsContact O-N 3.15Å; R34-R105 PolarHBondContact NH2-O 3.17Å |
| 35 | V | 93.4 | Very high | 78.4 | Confident | 49 Ų | 49 | 94.4 Ų | 94.4 | 30% | 0.297 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 119.2 | 169.3 | -178.9 | 0 | 0 | 0 | 0 | 111 | E33 H95 H99 Y102 | E33-V35 PolarHBondContact O-N 3.12Å; V35-H95 WeakPolarHBondContact CG1-CE1 3.31Å; V35-H99 HydrophobicContact CG1-CB 4.38Å; V35-Y102 HydrophobicContact CB-CD2 3.85Å; V35-Y102 HydrophobicContact CB-CE2 4.01Å; V35-Y102 HydrophobicContact CG1-CD2 3.48Å; V35-Y102 VanDerWaalsContact CG1-CD2 3.48Å; V35-Y102 HydrophobicContact CG1-CE2 3.72Å; V35-Y102 HydrophobicContact CG1-CG 4.47Å; V35-Y102 WeakPolarHBondContact O-CE2 3.46Å |
| 36 | K | 95.5 | Very high | 81.1 | Confident | 146 Ų | 146 | 85.1 Ų | 85.1 | 64% | 0.635 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 155 | 178.3 | -72.7 | 170.2 | -179.5 | 158.6 | 0 | 110.7 | R34 H95 | R34-K36 PolarHBondContact O-N 2.93Å; R34-K36 VanDerWaalsContact O-N 3.15Å; K36-H95 PolarHBondContact O-CE1 3.41Å; K36-H95 PolarHBondContact O-NE2 2.88Å |
| 37 | R | 97.3 | Very high | 83.8 | Confident | 145 Ų | 145 | 85.7 Ų | 85.7 | 55% | 0.547 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 146.6 | 176.1 | -61 | 176.2 | -159.2 | -151.5 | 16.8 | 110.5 | Y102 Y104 | R37-Y102 VanDerWaalsContact CG-OH 3.22Å; R37-Y102 WeakPolarHBondContact CG-OH 3.4Å; R37-Y104 VanDerWaalsContact NH1-CE2 3.29Å; R37-Y104 PolarHBondContact NH1-OH 3.01Å; R37-Y104 PolarHBondContact NH2-OH 3.46Å |
| 38 | P | 97.7 | Very high | 86.1 | Confident | 39 Ų | 39 | 81 Ų | 81 | 25% | 0.253 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 147.8 | 167.2 | 28.4 | -32.8 | 0 | 0 | 0 | 109.9 | R92 H95 | P38-R92 HydrophobicContact CG-CB 4.48Å; P38-R92 HydrophobicContact CG-CG 4.47Å; P38-H95 HydrophobicContact CB-CB 4.01Å; P38-H95 HydrophobicContact CG-CB 4.18Å |
| 39 | M | 98 | Very high | 88.2 | Confident | 66 Ų | 66 | 81 Ų | 81 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 135.1 | 179.4 | -70.8 | 171.3 | 45.6 | 0 | 0 | 110.7 | M43 V44 R47 L91 | M39-M43 HydrophobicContact CB-CB 4.01Å; M39-M43 HydrophobicContact CE-CB 4.18Å; M39-M43 WeakPolarHBondContact CE-O 3.2Å; M39-M43 HydrophobicContact CG-CB 4.27Å; M39-V44 HydrophobicContact CB-CG2 3.93Å; M39-V44 VanDerWaalsContact CE-CA 3.43Å; M39-V44 HydrophobicContact CE-CB 4.31Å; M39-V44 HydrophobicContact CE-CG2 4.01Å; M39-R47 HydrophobicContact CE-CB 4.45Å; M39-L91 HydrophobicContact CB-CD1 4.35Å |
| 40 | N | 98.5 | Very high | 90.4 | Very high | 88 Ų | 88 | 79.9 Ų | 79.9 | 47% | 0.471 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 172 | 170.1 | 71 | 26.9 | 0 | 0 | 0 | 111.2 | F42 M43 V44 | N40-F42 PolarHBondContact O-N 3.43Å; N40-F42 PolarHBondContact OD1-N 3.43Å; N40-M43 PolarHBondContact O-N 3.13Å; N40-M43 WeakPolarHBondContact OD1-CB 3.46Å; N40-M43 VanDerWaalsContact OD1-CG 3.25Å; N40-M43 WeakPolarHBondContact OD1-CG 3.38Å; N40-M43 PolarHBondContact OD1-N 2.96Å; N40-V44 WeakPolarHBondContact O-CG2 2.85Å; N40-V44 PolarHBondContact O-N 2.99Å |
| 41 | A | 97.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 84.9 Ų | 84.9 | 14% | 0.14 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -54.3 | -47.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | M43 V44 W45 W73 I85 A88 | A41-M43 VanDerWaalsContact C-N 3.33Å; A41-M43 PolarHBondContact O-N 3.46Å; A41-V44 PolarHBondContact O-N 3.05Å; A41-W45 PolarHBondContact O-N 3.25Å; A41-W73 HydrophobicContact CB-CH2 4.15Å; A41-W73 HydrophobicContact CB-CZ2 4.11Å; A41-I85 HydrophobicContact CB-CB 4.48Å; A41-I85 HydrophobicContact CB-CG1 3.87Å; A41-A88 HydrophobicContact CB-CB 4.1Å; A41-A88 VanDerWaalsContact N-CB 3.29Å |
| 42 | F | 98.4 | Very high | 94.3 | Very high | 45 Ų | 45 | 85 Ų | 85 | 20% | 0.197 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 176.5 | 170.2 | -100.1 | 0 | 0 | 0 | 112.2 | N40 W45 S46 W73 | N40-F42 PolarHBondContact O-N 3.43Å; N40-F42 PolarHBondContact OD1-N 3.43Å; F42-W45 AromaticContact CD2-CE3 3.92Å; F42-W45 HydrophobicContact CD2-CE3 3.92Å; F42-W45 HydrophobicContact CD2-CZ3 4.03Å; F42-W45 HydrophobicContact CE2-CE3 4.04Å; F42-W45 AromaticContact CE2-CZ3 3.72Å; F42-W45 HydrophobicContact CE2-CZ3 3.72Å; F42-S46 WeakPolarHBondContact O-CB 3.45Å; F42-S46 PolarHBondContact O-N 3.42Å; F42-S46 PolarHBondContact O-OG 3.09Å; F42-W73 HydrophobicContact CB-CD2 4.42Å; F42-W73 HydrophobicContact CD2-CB 3.76Å; F42-W73 AromaticContact CD2-CD1 3.93Å; F42-W73 AromaticContact CD2-CD2 3.95Å; F42-W73 HydrophobicContact CD2-CD2 3.95Å; F42-W73 AromaticContact CD2-CG 3.57Å; F42-W73 HydrophobicContact CD2-CG 3.57Å; F42-W73 HydrophobicContact CE2-CB 3.94Å; F42-W73 HydrophobicContact CE2-CG 4.26Å |
| 43 | M | 98.4 | Very high | 96 | Very high | 82 Ų | 82 | 79.6 Ų | 79.6 | 40% | 0.404 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.2 | -37.9 | 178.2 | -69.5 | -63.5 | 174.4 | 0 | 0 | 111.5 | M39 N40 A41 S46 R47 | M39-M43 HydrophobicContact CB-CB 4.01Å; M39-M43 HydrophobicContact CE-CB 4.18Å; M39-M43 WeakPolarHBondContact CE-O 3.2Å; M39-M43 HydrophobicContact CG-CB 4.27Å; N40-M43 PolarHBondContact O-N 3.13Å; N40-M43 WeakPolarHBondContact OD1-CB 3.46Å; N40-M43 VanDerWaalsContact OD1-CG 3.25Å; N40-M43 WeakPolarHBondContact OD1-CG 3.38Å; N40-M43 PolarHBondContact OD1-N 2.96Å; A41-M43 VanDerWaalsContact C-N 3.33Å; A41-M43 PolarHBondContact O-N 3.46Å; M43-S46 PolarHBondContact O-OG 3.27Å; M43-R47 PolarHBondContact O-N 2.89Å |
| 44 | V | 98.4 | Very high | 96.8 | Very high | 30 Ų | 30 | 73.4 Ų | 73.4 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.3 | -54 | 173.8 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | M39 N40 A41 F84 E87 A88 L91 | M39-V44 HydrophobicContact CB-CG2 3.93Å; M39-V44 VanDerWaalsContact CE-CA 3.43Å; M39-V44 HydrophobicContact CE-CB 4.31Å; M39-V44 HydrophobicContact CE-CG2 4.01Å; N40-V44 WeakPolarHBondContact O-CG2 2.85Å; N40-V44 PolarHBondContact O-N 2.99Å; A41-V44 PolarHBondContact O-N 3.05Å; V44-F84 HydrophobicContact CG1-CD1 4.18Å; V44-E87 HydrophobicContact CG1-CB 4.31Å; V44-E87 HydrophobicContact CG1-CG 3.82Å; V44-A88 HydrophobicContact CG2-CB 4.31Å; V44-L91 HydrophobicContact CG2-CD1 3.74Å |
| 45 | W | 98.3 | Very high | 97.2 | Very high | 18 Ų | 18 | 74.6 Ų | 74.6 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.3 | -49.1 | 179.9 | 169.6 | 81.8 | 0 | 0 | 0 | 113 | A41 F42 R47 G48 Q49 L69 D72 W73 L76 F84 | A41-W45 PolarHBondContact O-N 3.25Å; F42-W45 AromaticContact CD2-CE3 3.92Å; F42-W45 HydrophobicContact CD2-CE3 3.92Å; F42-W45 HydrophobicContact CD2-CZ3 4.03Å; F42-W45 HydrophobicContact CE2-CE3 4.04Å; F42-W45 AromaticContact CE2-CZ3 3.72Å; F42-W45 HydrophobicContact CE2-CZ3 3.72Å; W45-R47 PolarHBondContact O-N 2.91Å; W45-R47 VanDerWaalsContact O-N 3.13Å; W45-G48 PolarHBondContact O-N 3.06Å; W45-Q49 HydrophobicContact CD2-CG 4.16Å; W45-Q49 HydrophobicContact CH2-CG 4.39Å; W45-Q49 HydrophobicContact CZ2-CB 4.48Å; W45-Q49 HydrophobicContact CZ2-CG 3.77Å; W45-L69 HydrophobicContact CH2-CB 4.17Å; W45-L69 HydrophobicContact CH2-CD2 3.92Å; W45-L69 VanDerWaalsContact CH2-O 3.24Å; W45-L69 WeakPolarHBondContact CH2-O 3.41Å; W45-L69 HydrophobicContact CZ3-CB 3.97Å; W45-L69 HydrophobicContact CZ3-CD2 4.29Å; W45-L69 WeakPolarHBondContact CZ3-O 3.44Å; W45-D72 HydrophobicContact CH2-CB 3.87Å; W45-D72 HydrophobicContact CZ2-CB 4.22Å; W45-W73 HydrophobicContact CB-CE3 3.99Å; W45-W73 HydrophobicContact CB-CH2 4.41Å; W45-W73 HydrophobicContact CB-CZ3 3.54Å; W45-W73 AromaticContact CD2-CE3 3.44Å; W45-W73 HydrophobicContact CD2-CE3 3.44Å; W45-W73 VanDerWaalsContact CD2-CE3 3.44Å; W45-W73 AromaticContact CD2-CZ3 3.88Å; W45-W73 HydrophobicContact CD2-CZ3 3.88Å; W45-W73 HydrophobicContact CE3-CB 4.16Å; W45-W73 HydrophobicContact CE3-CD2 4.19Å; W45-W73 AromaticContact CE3-CE3 3.5Å; W45-W73 HydrophobicContact CE3-CE3 3.5Å; W45-W73 VanDerWaalsContact CE3-CE3 3.5Å; W45-W73 HydrophobicContact CE3-CG 4.49Å; W45-W73 HydrophobicContact CE3-CZ3 4.26Å; W45-W73 AromaticContact CG-CE3 3.67Å; W45-W73 HydrophobicContact CG-CE3 3.67Å; W45-W73 AromaticContact CG-CZ3 3.55Å; W45-W73 HydrophobicContact CG-CZ3 3.55Å; W45-W73 HydrophobicContact CH2-CB 4.04Å; W45-W73 HydrophobicContact CZ3-CB 3.69Å; W45-W73 HydrophobicContact CZ3-CE3 4.18Å; W45-W73 HydrophobicContact CZ3-CG 4.47Å; W45-L76 HydrophobicContact CD2-CD1 4.33Å; W45-L76 HydrophobicContact CZ2-CD1 3.87Å; W45-F84 HydrophobicContact CB-CB 4.22Å; W45-F84 HydrophobicContact CB-CD1 3.8Å; W45-F84 HydrophobicContact CB-CD2 4.13Å; W45-F84 HydrophobicContact CB-CE1 4.2Å; W45-F84 HydrophobicContact CB-CG 3.76Å; W45-F84 AromaticContact CD1-CD2 3.91Å; W45-F84 AromaticContact CD1-CE2 3.54Å; W45-F84 AromaticContact CD1-CZ 3.6Å; W45-F84 HydrophobicContact CG-CD2 4.33Å; W45-F84 HydrophobicContact CG-CE2 4.36Å; W45-F84 HydrophobicContact CG-CG 4.43Å; W45-F84 HydrophobicContact CG-CZ 4.47Å |
| 46 | S | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.7 | -17.7 | -174.9 | 64 | 0 | 0 | 0 | 0 | 113.2 | F42 M43 R50 | F42-S46 WeakPolarHBondContact O-CB 3.45Å; F42-S46 PolarHBondContact O-N 3.42Å; F42-S46 PolarHBondContact O-OG 3.09Å; M43-S46 PolarHBondContact O-OG 3.27Å; S46-R50 WeakPolarHBondContact O-CA 3.31Å; S46-R50 WeakPolarHBondContact O-CB 3.28Å; S46-R50 PolarHBondContact O-N 2.96Å |
| 47 | R | 97.4 | Very high | 97.1 | Very high | 175 Ų | 175 | 74 Ų | 74 | 66% | 0.66 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.6 | -48.2 | 178.2 | -167.3 | 178.4 | -170 | -163.7 | 2.7 | 111.9 | M39 M43 W45 R51 | M39-R47 HydrophobicContact CE-CB 4.45Å; M43-R47 PolarHBondContact O-N 2.89Å; W45-R47 PolarHBondContact O-N 2.91Å; W45-R47 VanDerWaalsContact O-N 3.13Å; R47-R51 PolarHBondContact O-N 3.48Å |
| 48 | G | 96 | Very high | 96.9 | Very high | 30 Ų | 30 | 72.3 Ų | 72.3 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.8 | -46.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | W45 R50 R51 K52 | W45-G48 PolarHBondContact O-N 3.06Å; G48-R50 PolarHBondContact O-N 3Å; G48-R51 PolarHBondContact O-N 3.12Å; G48-K52 PolarHBondContact O-N 3.5Å |
| 49 | Q | 97.6 | Very high | 96.8 | Very high | 62 Ų | 62 | 80.6 Ų | 80.6 | 29% | 0.29 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | -177.8 | -58.9 | -55.1 | -35.2 | 0 | 0 | 112.7 | W45 R51 K52 M53 L69 | W45-Q49 HydrophobicContact CD2-CG 4.16Å; W45-Q49 HydrophobicContact CH2-CG 4.39Å; W45-Q49 HydrophobicContact CZ2-CB 4.48Å; W45-Q49 HydrophobicContact CZ2-CG 3.77Å; Q49-R51 VanDerWaalsContact C-N 3.31Å; Q49-R51 PolarHBondContact O-N 3.35Å; Q49-K52 PolarHBondContact O-N 3.24Å; Q49-M53 WeakPolarHBondContact O-CG 3.5Å; Q49-M53 PolarHBondContact O-N 3.49Å; Q49-L69 HydrophobicContact CB-CD1 4.43Å; Q49-L69 HydrophobicContact CB-CD2 3.4Å; Q49-L69 VanDerWaalsContact CB-CD2 3.4Å; Q49-L69 HydrophobicContact CG-CD2 4.43Å |
| 50 | R | 97.7 | Very high | 96.6 | Very high | 60 Ų | 60 | 79.2 Ų | 79.2 | 23% | 0.226 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 174.7 | -178.4 | -174.8 | -72.7 | 117.8 | 4 | 111.7 | S46 G48 A54 N62 I65 L69 | S46-R50 WeakPolarHBondContact O-CA 3.31Å; S46-R50 WeakPolarHBondContact O-CB 3.28Å; S46-R50 PolarHBondContact O-N 2.96Å; G48-R50 PolarHBondContact O-N 3Å; R50-A54 VanDerWaalsContact O-CB 3.26Å; R50-A54 WeakPolarHBondContact O-CB 3.26Å; R50-A54 PolarHBondContact O-N 3.41Å; R50-N62 WeakPolarHBondContact CD-ND2 3.3Å; R50-I65 HydrophobicContact CB-CG2 4.35Å; R50-I65 HydrophobicContact CG-CG2 3.98Å; R50-L69 HydrophobicContact CB-CD1 3.68Å; R50-L69 HydrophobicContact CG-CD1 4.47Å |
| 51 | R | 97.6 | Very high | 96.5 | Very high | 186 Ų | 186 | 81.6 Ų | 81.6 | 70% | 0.702 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.7 | -45.7 | 177.7 | -178.9 | 172.9 | 61.2 | -158 | 0.8 | 110.9 | R47 G48 Q49 A54 Q55 | R47-R51 PolarHBondContact O-N 3.48Å; G48-R51 PolarHBondContact O-N 3.12Å; Q49-R51 VanDerWaalsContact C-N 3.31Å; Q49-R51 PolarHBondContact O-N 3.35Å; R51-A54 PolarHBondContact O-N 2.92Å; R51-Q55 PolarHBondContact O-N 3.09Å |
| 52 | K | 97 | Very high | 96.4 | Very high | 103 Ų | 103 | 84.5 Ų | 84.5 | 45% | 0.448 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.1 | -52.8 | 175.9 | -178.8 | -179.8 | 171.7 | -177.9 | 0 | 111.6 | G48 Q49 A54 Q55 E56 | G48-K52 PolarHBondContact O-N 3.5Å; Q49-K52 PolarHBondContact O-N 3.24Å; K52-A54 VanDerWaalsContact C-N 3.33Å; K52-A54 PolarHBondContact O-N 2.82Å; K52-Q55 PolarHBondContact O-N 3.39Å; K52-Q55 VanDerWaalsContact O-N 3.12Å; K52-E56 WeakPolarHBondContact CE-OE1 3.5Å; K52-E56 WeakPolarHBondContact CG-OE1 3.4Å; K52-E56 IonicContact NZ-OE1 3.96Å; K52-E56 WeakPolarHBondContact O-CG 3.4Å; K52-E56 PolarHBondContact O-N 2.99Å |
| 53 | M | 95.6 | Very high | 96.3 | Very high | 25 Ų | 25 | 85.5 Ų | 85.5 | 12% | 0.123 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.4 | -37.7 | -179.8 | -70.7 | -172.7 | 73.6 | 0 | 0 | 113.3 | Q49 Q55 E56 N57 M60 I65 R68 L69 | Q49-M53 WeakPolarHBondContact O-CG 3.5Å; Q49-M53 PolarHBondContact O-N 3.49Å; M53-Q55 VanDerWaalsContact C-N 3.31Å; M53-E56 PolarHBondContact O-N 3.48Å; M53-N57 WeakPolarHBondContact O-CB 3.43Å; M53-N57 PolarHBondContact O-N 3.08Å; M53-M60 HydrophobicContact CE-SD 4.33Å; M53-I65 HydrophobicContact CB-CG2 3.93Å; M53-I65 HydrophobicContact CE-CG2 4.45Å; M53-I65 HydrophobicContact SD-CG2 3.94Å; M53-R68 HydrophobicContact CE-CB 3.91Å; M53-R68 HydrophobicContact CE-CG 4.43Å; M53-L69 HydrophobicContact SD-CD2 3.5Å; M53-L69 WeakPolarHBondContact SD-CD2 3.24Å; M53-L69 HydrophobicContact SD-CG 3.83Å |
| 54 | A | 96.4 | Very high | 96.3 | Very high | 42 Ų | 42 | 84.4 Ų | 84.4 | 35% | 0.347 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.1 | -34.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | R50 R51 K52 N57 P58 I65 | R50-A54 VanDerWaalsContact O-CB 3.26Å; R50-A54 WeakPolarHBondContact O-CB 3.26Å; R50-A54 PolarHBondContact O-N 3.41Å; R51-A54 PolarHBondContact O-N 2.92Å; K52-A54 VanDerWaalsContact C-N 3.33Å; K52-A54 PolarHBondContact O-N 2.82Å; A54-N57 CarbonylContact O-C 3.34Å; A54-P58 VanDerWaalsContact O-CA 3.28Å; A54-P58 WeakPolarHBondContact O-CA 3.45Å; A54-I65 HydrophobicContact CB-CD1 4.01Å |
| 55 | Q | 96.7 | Very high | 96.3 | Very high | 158 Ų | 158 | 83.1 Ų | 83.1 | 74% | 0.738 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -72.1 | -41.3 | 176.1 | -170.2 | 62.7 | 42.7 | 0 | 0 | 112 | R51 K52 M53 N57 | R51-Q55 PolarHBondContact O-N 3.09Å; K52-Q55 PolarHBondContact O-N 3.39Å; K52-Q55 VanDerWaalsContact O-N 3.12Å; M53-Q55 VanDerWaalsContact C-N 3.31Å; Q55-N57 VanDerWaalsContact C-N 3.34Å |
| 56 | E | 94.9 | Very high | 96.2 | Very high | 116 Ų | 116 | 84 Ų | 84 | 54% | 0.542 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.5 | -32 | 177.5 | -69.2 | 171.2 | 178 | 0 | 0 | 112.1 | K52 M53 | K52-E56 WeakPolarHBondContact CE-OE1 3.5Å; K52-E56 WeakPolarHBondContact CG-OE1 3.4Å; K52-E56 IonicContact NZ-OE1 3.96Å; K52-E56 WeakPolarHBondContact O-CG 3.4Å; K52-E56 PolarHBondContact O-N 2.99Å; M53-E56 PolarHBondContact O-N 3.48Å |
| 57 | N | 91.3 | Very high | 96.3 | Very high | 67 Ų | 67 | 90.4 Ų | 90.4 | 36% | 0.358 | 44% | 0.439 | S | S | . | . | trans | -130.8 | 72.6 | -177.3 | -61.7 | -94.8 | 0 | 0 | 0 | 110.8 | M53 A54 Q55 K59 M60 | M53-N57 WeakPolarHBondContact O-CB 3.43Å; M53-N57 PolarHBondContact O-N 3.08Å; A54-N57 CarbonylContact O-C 3.34Å; Q55-N57 VanDerWaalsContact C-N 3.34Å; N57-K59 PolarHBondContact O-N 2.99Å; N57-K59 VanDerWaalsContact O-N 3.09Å; N57-M60 HydrophobicContact CB-CB 3.71Å; N57-M60 HydrophobicContact CB-CE 3.8Å; N57-M60 HydrophobicContact CB-SD 4.48Å; N57-M60 VanDerWaalsContact O-CB 3.31Å; N57-M60 WeakPolarHBondContact O-CB 3.41Å; N57-M60 PolarHBondContact O-N 3.18Å | ||
| 58 | P | 93.3 | Very high | 96.3 | Very high | 110 Ų | 110 | 87.3 Ų | 87.3 | 71% | 0.714 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -19 | -174.6 | 24.5 | -34.3 | 0 | 0 | 0 | 114 | A54 | A54-P58 VanDerWaalsContact O-CA 3.28Å; A54-P58 WeakPolarHBondContact O-CA 3.45Å |
| 59 | K | 95.4 | Very high | 96.4 | Very high | 212 Ų | 212 | 85.9 Ų | 85.9 | 92% | 0.922 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -10.9 | 174.7 | -63.8 | -176.3 | 179.4 | 179.3 | 0 | 113.4 | N57 | N57-K59 PolarHBondContact O-N 2.99Å; N57-K59 VanDerWaalsContact O-N 3.09Å |
| 60 | M | 94.4 | Very high | 96.4 | Very high | 37 Ų | 37 | 84.1 Ų | 84.1 | 18% | 0.182 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -77.5 | 126.9 | -177.7 | -171.2 | -178.6 | -64.4 | 0 | 0 | 110.5 | M53 N57 E64 I65 R68 | M53-M60 HydrophobicContact CE-SD 4.33Å; N57-M60 HydrophobicContact CB-CB 3.71Å; N57-M60 HydrophobicContact CB-CE 3.8Å; N57-M60 HydrophobicContact CB-SD 4.48Å; N57-M60 VanDerWaalsContact O-CB 3.31Å; N57-M60 WeakPolarHBondContact O-CB 3.41Å; N57-M60 PolarHBondContact O-N 3.18Å; M60-E64 HydrophobicContact CG-CB 4.02Å; M60-E64 HydrophobicContact CG-CG 3.98Å; M60-E64 HydrophobicContact SD-CG 4.08Å; M60-I65 HydrophobicContact CB-CG1 4.31Å; M60-I65 HydrophobicContact CG-CG1 3.82Å; M60-I65 HydrophobicContact SD-CG1 3.59Å; M60-I65 VanDerWaalsContact SD-CG1 3.59Å; M60-R68 VanDerWaalsContact CE-NH1 3.3Å |
| 61 | H | 96.8 | Very high | 96.4 | Very high | 139 Ų | 139 | 83.6 Ų | 83.6 | 64% | 0.644 | 42% | 0.419 | S | S | * | . | trans | -71.8 | 148.2 | 179.5 | -164.3 | 56.9 | 0 | 0 | 0 | 112 | S63 E64 I65 | H61-S63 PolarHBondContact CD2-OG 3.34Å; H61-S63 VanDerWaalsContact CD2-OG 3.29Å; H61-S63 PolarHBondContact O-N 3.44Å; H61-E64 WeakPolarHBondContact O-CB 3.27Å; H61-E64 PolarHBondContact O-N 2.97Å; H61-I65 PolarHBondContact O-N 3.14Å; H61-I65 VanDerWaalsContact O-N 3.16Å | ||
| 62 | N | 95 | Very high | 96.4 | Very high | 77 Ų | 77 | 78.3 Ų | 78.3 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.9 | -29.7 | -174.2 | -167.5 | -89.2 | 0 | 0 | 0 | 113.9 | R50 E64 I65 S66 | R50-N62 WeakPolarHBondContact CD-ND2 3.3Å; N62-E64 VanDerWaalsContact C-N 3.26Å; N62-E64 PolarHBondContact O-N 3.38Å; N62-I65 PolarHBondContact O-N 3.3Å; N62-S66 WeakPolarHBondContact O-CB 3.36Å; N62-S66 PolarHBondContact O-N 2.76Å; N62-S66 PolarHBondContact O-OG 3.5Å; N62-S66 PolarHBondContact OD1-OG 2.72Å |
| 63 | S | 97.3 | Very high | 96.5 | Very high | 66 Ų | 66 | 75.4 Ų | 75.4 | 46% | 0.462 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 175 | 65.4 | 0 | 0 | 0 | 0 | 111.9 | H61 K67 | H61-S63 PolarHBondContact CD2-OG 3.34Å; H61-S63 VanDerWaalsContact CD2-OG 3.29Å; H61-S63 PolarHBondContact O-N 3.44Å; S63-K67 WeakPolarHBondContact O-CE 3.39Å; S63-K67 WeakPolarHBondContact O-CG 3.28Å; S63-K67 PolarHBondContact O-N 3.1Å; S63-K67 VanDerWaalsContact O-N 3.11Å |
| 64 | E | 97.6 | Very high | 96.6 | Very high | 59 Ų | 59 | 82.2 Ų | 82.2 | 28% | 0.276 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -74.5 | -43.8 | 177.4 | -175.4 | 56.6 | -154.6 | 0 | 0 | 111.2 | M60 H61 N62 S66 K67 R68 | M60-E64 HydrophobicContact CG-CB 4.02Å; M60-E64 HydrophobicContact CG-CG 3.98Å; M60-E64 HydrophobicContact SD-CG 4.08Å; H61-E64 WeakPolarHBondContact O-CB 3.27Å; H61-E64 PolarHBondContact O-N 2.97Å; N62-E64 VanDerWaalsContact C-N 3.26Å; N62-E64 PolarHBondContact O-N 3.38Å; E64-S66 VanDerWaalsContact C-N 3.29Å; E64-S66 PolarHBondContact O-N 2.77Å; E64-K67 WeakPolarHBondContact O-CB 3.27Å; E64-K67 PolarHBondContact O-N 3.06Å; E64-K67 WeakPolarHBondContact OE2-CE 3.44Å; E64-K67 IonicContact OE2-NZ 2.69Å; E64-K67 PolarHBondContact OE2-NZ 3.27Å; E64-R68 PolarHBondContact O-N 2.8Å; E64-R68 VanDerWaalsContact O-N 3.09Å; E64-R68 IonicContact OE1-CZ 3.74Å; E64-R68 IonicContact OE1-NE 3.08Å; E64-R68 PolarHBondContact OE1-NE 3.13Å; E64-R68 VanDerWaalsContact OE1-NE 3.08Å; E64-R68 IonicContact OE1-NH2 3.48Å; E64-R68 PolarHBondContact OE1-NH2 3Å |
| 65 | I | 97.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 87 Ų | 87 | 2% | 0.015 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -56.2 | -47.2 | 172.9 | -61.2 | 173.6 | 0 | 0 | 0 | 110.1 | R50 M53 A54 M60 H61 N62 K67 R68 L69 | R50-I65 HydrophobicContact CB-CG2 4.35Å; R50-I65 HydrophobicContact CG-CG2 3.98Å; M53-I65 HydrophobicContact CB-CG2 3.93Å; M53-I65 HydrophobicContact CE-CG2 4.45Å; M53-I65 HydrophobicContact SD-CG2 3.94Å; A54-I65 HydrophobicContact CB-CD1 4.01Å; M60-I65 HydrophobicContact CB-CG1 4.31Å; M60-I65 HydrophobicContact CG-CG1 3.82Å; M60-I65 HydrophobicContact SD-CG1 3.59Å; M60-I65 VanDerWaalsContact SD-CG1 3.59Å; H61-I65 PolarHBondContact O-N 3.14Å; H61-I65 VanDerWaalsContact O-N 3.16Å; N62-I65 PolarHBondContact O-N 3.3Å; I65-K67 VanDerWaalsContact C-N 3.32Å; I65-K67 PolarHBondContact O-N 3.23Å; I65-R68 PolarHBondContact O-N 3.4Å; I65-L69 HydrophobicContact CG2-CD1 3.84Å; I65-L69 HydrophobicContact CG2-CG 4.19Å; I65-L69 VanDerWaalsContact O-CG 3.28Å; I65-L69 WeakPolarHBondContact O-CG 3.21Å; I65-L69 PolarHBondContact O-N 2.94Å |
| 66 | S | 97.9 | Very high | 96.7 | Very high | 37 Ų | 37 | 81.1 Ų | 81.1 | 26% | 0.259 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.4 | -34 | -179.1 | -62.8 | 0 | 0 | 0 | 0 | 112.8 | N62 E64 G70 | N62-S66 WeakPolarHBondContact O-CB 3.36Å; N62-S66 PolarHBondContact O-N 2.76Å; N62-S66 PolarHBondContact O-OG 3.5Å; N62-S66 PolarHBondContact OD1-OG 2.72Å; E64-S66 VanDerWaalsContact C-N 3.29Å; E64-S66 PolarHBondContact O-N 2.77Å; S66-G70 PolarHBondContact O-N 2.94Å |
| 67 | K | 98.3 | Very high | 96.9 | Very high | 134 Ų | 134 | 79.3 Ų | 79.3 | 58% | 0.583 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.1 | -48.9 | 172.8 | -85.6 | -177.1 | -92.8 | 154.6 | 0 | 111.5 | S63 E64 I65 G70 A71 | S63-K67 WeakPolarHBondContact O-CE 3.39Å; S63-K67 WeakPolarHBondContact O-CG 3.28Å; S63-K67 PolarHBondContact O-N 3.1Å; S63-K67 VanDerWaalsContact O-N 3.11Å; E64-K67 WeakPolarHBondContact O-CB 3.27Å; E64-K67 PolarHBondContact O-N 3.06Å; E64-K67 WeakPolarHBondContact OE2-CE 3.44Å; E64-K67 IonicContact OE2-NZ 2.69Å; E64-K67 PolarHBondContact OE2-NZ 3.27Å; I65-K67 VanDerWaalsContact C-N 3.32Å; I65-K67 PolarHBondContact O-N 3.23Å; K67-G70 PolarHBondContact O-N 3.49Å; K67-A71 PolarHBondContact O-N 3.24Å |
| 68 | R | 97.9 | Very high | 97.2 | Very high | 110 Ų | 110 | 82.3 Ų | 82.3 | 42% | 0.415 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 179.6 | -66.1 | 177.8 | -173.4 | -155.9 | 3.2 | 112.1 | M53 M60 E64 I65 G70 A71 D72 | M53-R68 HydrophobicContact CE-CB 3.91Å; M53-R68 HydrophobicContact CE-CG 4.43Å; M60-R68 VanDerWaalsContact CE-NH1 3.3Å; E64-R68 PolarHBondContact O-N 2.8Å; E64-R68 VanDerWaalsContact O-N 3.09Å; E64-R68 IonicContact OE1-CZ 3.74Å; E64-R68 IonicContact OE1-NE 3.08Å; E64-R68 PolarHBondContact OE1-NE 3.13Å; E64-R68 VanDerWaalsContact OE1-NE 3.08Å; E64-R68 IonicContact OE1-NH2 3.48Å; E64-R68 PolarHBondContact OE1-NH2 3Å; I65-R68 PolarHBondContact O-N 3.4Å; R68-G70 PolarHBondContact O-N 2.98Å; R68-A71 WeakPolarHBondContact O-CA 3.39Å; R68-A71 WeakPolarHBondContact O-CB 3.47Å; R68-A71 PolarHBondContact O-N 2.96Å; R68-D72 PolarHBondContact O-N 3.23Å |
| 69 | L | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 80.7 Ų | 80.7 | 1% | 0.005 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59 | -35.6 | 175.6 | -67.6 | 179.7 | 0 | 0 | 0 | 112.9 | W45 Q49 R50 M53 I65 A71 W73 | W45-L69 HydrophobicContact CH2-CB 4.17Å; W45-L69 HydrophobicContact CH2-CD2 3.92Å; W45-L69 VanDerWaalsContact CH2-O 3.24Å; W45-L69 WeakPolarHBondContact CH2-O 3.41Å; W45-L69 HydrophobicContact CZ3-CB 3.97Å; W45-L69 HydrophobicContact CZ3-CD2 4.29Å; W45-L69 WeakPolarHBondContact CZ3-O 3.44Å; Q49-L69 HydrophobicContact CB-CD1 4.43Å; Q49-L69 HydrophobicContact CB-CD2 3.4Å; Q49-L69 VanDerWaalsContact CB-CD2 3.4Å; Q49-L69 HydrophobicContact CG-CD2 4.43Å; R50-L69 HydrophobicContact CB-CD1 3.68Å; R50-L69 HydrophobicContact CG-CD1 4.47Å; M53-L69 HydrophobicContact SD-CD2 3.5Å; M53-L69 WeakPolarHBondContact SD-CD2 3.24Å; M53-L69 HydrophobicContact SD-CG 3.83Å; I65-L69 HydrophobicContact CG2-CD1 3.84Å; I65-L69 HydrophobicContact CG2-CG 4.19Å; I65-L69 VanDerWaalsContact O-CG 3.28Å; I65-L69 WeakPolarHBondContact O-CG 3.21Å; I65-L69 PolarHBondContact O-N 2.94Å; L69-A71 VanDerWaalsContact C-N 3.3Å; L69-A71 PolarHBondContact O-N 3.31Å; L69-W73 WeakPolarHBondContact O-CB 3.2Å; L69-W73 PolarHBondContact O-N 3.28Å |
| 70 | G | 98.3 | Very high | 97.5 | Very high | 24 Ų | 24 | 75.1 Ų | 75.1 | 25% | 0.247 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.6 | -34.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S66 K67 R68 K74 | S66-G70 PolarHBondContact O-N 2.94Å; K67-G70 PolarHBondContact O-N 3.49Å; R68-G70 PolarHBondContact O-N 2.98Å; G70-K74 WeakPolarHBondContact O-CG 3.33Å |
| 71 | A | 98.3 | Very high | 97.7 | Very high | 50 Ų | 50 | 74.8 Ų | 74.8 | 41% | 0.413 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -72.3 | -49.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K67 R68 L69 W73 K74 L75 | K67-A71 PolarHBondContact O-N 3.24Å; R68-A71 WeakPolarHBondContact O-CA 3.39Å; R68-A71 WeakPolarHBondContact O-CB 3.47Å; R68-A71 PolarHBondContact O-N 2.96Å; L69-A71 VanDerWaalsContact C-N 3.3Å; L69-A71 PolarHBondContact O-N 3.31Å; A71-W73 VanDerWaalsContact C-N 3.29Å; A71-W73 PolarHBondContact O-N 2.95Å; A71-K74 WeakPolarHBondContact O-CB 2.98Å; A71-K74 PolarHBondContact O-N 3.28Å; A71-L75 PolarHBondContact O-N 3.26Å |
| 72 | D | 97.8 | Very high | 97.8 | Very high | 74 Ų | 74 | 76.2 Ų | 76.2 | 40% | 0.396 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.1 | -41.9 | 179.2 | -63.8 | -16.4 | 0 | 0 | 0 | 111.6 | W45 R68 K74 L75 L76 | W45-D72 HydrophobicContact CH2-CB 3.87Å; W45-D72 HydrophobicContact CZ2-CB 4.22Å; R68-D72 PolarHBondContact O-N 3.23Å; D72-K74 PolarHBondContact O-N 3.05Å; D72-L75 PolarHBondContact O-N 3.09Å; D72-L76 PolarHBondContact O-N 3.39Å; D72-L76 VanDerWaalsContact O-N 3.1Å |
| 73 | W | 98.3 | Very high | 97.9 | Very high | 42 Ų | 42 | 76.1 Ų | 76.1 | 16% | 0.159 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.9 | -36 | 175.7 | 179.2 | -104.8 | 0 | 0 | 0 | 113 | A41 F42 W45 L69 A71 L75 L76 K81 F84 | A41-W73 HydrophobicContact CB-CH2 4.15Å; A41-W73 HydrophobicContact CB-CZ2 4.11Å; F42-W73 HydrophobicContact CB-CD2 4.42Å; F42-W73 HydrophobicContact CD2-CB 3.76Å; F42-W73 AromaticContact CD2-CD1 3.93Å; F42-W73 AromaticContact CD2-CD2 3.95Å; F42-W73 HydrophobicContact CD2-CD2 3.95Å; F42-W73 AromaticContact CD2-CG 3.57Å; F42-W73 HydrophobicContact CD2-CG 3.57Å; F42-W73 HydrophobicContact CE2-CB 3.94Å; F42-W73 HydrophobicContact CE2-CG 4.26Å; W45-W73 HydrophobicContact CB-CE3 3.99Å; W45-W73 HydrophobicContact CB-CH2 4.41Å; W45-W73 HydrophobicContact CB-CZ3 3.54Å; W45-W73 AromaticContact CD2-CE3 3.44Å; W45-W73 HydrophobicContact CD2-CE3 3.44Å; W45-W73 VanDerWaalsContact CD2-CE3 3.44Å; W45-W73 AromaticContact CD2-CZ3 3.88Å; W45-W73 HydrophobicContact CD2-CZ3 3.88Å; W45-W73 HydrophobicContact CE3-CB 4.16Å; W45-W73 HydrophobicContact CE3-CD2 4.19Å; W45-W73 AromaticContact CE3-CE3 3.5Å; W45-W73 HydrophobicContact CE3-CE3 3.5Å; W45-W73 VanDerWaalsContact CE3-CE3 3.5Å; W45-W73 HydrophobicContact CE3-CG 4.49Å; W45-W73 HydrophobicContact CE3-CZ3 4.26Å; W45-W73 AromaticContact CG-CE3 3.67Å; W45-W73 HydrophobicContact CG-CE3 3.67Å; W45-W73 AromaticContact CG-CZ3 3.55Å; W45-W73 HydrophobicContact CG-CZ3 3.55Å; W45-W73 HydrophobicContact CH2-CB 4.04Å; W45-W73 HydrophobicContact CZ3-CB 3.69Å; W45-W73 HydrophobicContact CZ3-CE3 4.18Å; W45-W73 HydrophobicContact CZ3-CG 4.47Å; L69-W73 WeakPolarHBondContact O-CB 3.2Å; L69-W73 PolarHBondContact O-N 3.28Å; A71-W73 VanDerWaalsContact C-N 3.29Å; A71-W73 PolarHBondContact O-N 2.95Å; W73-L75 VanDerWaalsContact C-N 3.31Å; W73-L76 HydrophobicContact CE3-CD1 3.63Å; W73-L76 HydrophobicContact CZ3-CD1 4.02Å; W73-K81 HydrophobicContact CE3-CG 4.46Å; W73-K81 HydrophobicContact CH2-CB 3.95Å; W73-K81 HydrophobicContact CH2-CG 3.7Å; W73-K81 HydrophobicContact CZ2-CB 4.29Å; W73-K81 HydrophobicContact CZ2-CD 4.19Å; W73-K81 HydrophobicContact CZ2-CG 3.86Å; W73-K81 HydrophobicContact CZ3-CG 4.01Å; W73-K81 WeakPolarHBondContact O-CE 3.49Å; W73-K81 PolarHBondContact O-NZ 2.69Å; W73-F84 HydrophobicContact CH2-CB 4.18Å; W73-F84 HydrophobicContact CZ3-CB 4.43Å; W73-F84 HydrophobicContact CZ3-CD2 4.19Å |
| 74 | K | 98.1 | Very high | 98 | Very high | 168 Ų | 168 | 76 Ų | 76 | 73% | 0.73 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -69.8 | -33.5 | 177.9 | -71.2 | 175.4 | 179.8 | -176.2 | 0 | 111.5 | G70 A71 D72 | G70-K74 WeakPolarHBondContact O-CG 3.33Å; A71-K74 WeakPolarHBondContact O-CB 2.98Å; A71-K74 PolarHBondContact O-N 3.28Å; D72-K74 PolarHBondContact O-N 3.05Å |
| 75 | L | 97.9 | Very high | 98 | Very high | 142 Ų | 142 | 76.1 Ų | 76.1 | 74% | 0.743 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -76.2 | -24.2 | -179.8 | -65 | 174.3 | 0 | 0 | 0 | 113.5 | A71 D72 W73 T77 | A71-L75 PolarHBondContact O-N 3.26Å; D72-L75 PolarHBondContact O-N 3.09Å; W73-L75 VanDerWaalsContact C-N 3.31Å; L75-T77 PolarHBondContact O-N 2.94Å |
| 76 | L | 97.6 | Very high | 98.1 | Very high | 36 Ų | 36 | 79.3 Ų | 79.3 | 19% | 0.188 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -59.3 | 138.6 | 174.6 | -69.1 | 170.5 | 0 | 0 | 0 | 111.4 | W45 D72 W73 E80 K81 | W45-L76 HydrophobicContact CD2-CD1 4.33Å; W45-L76 HydrophobicContact CZ2-CD1 3.87Å; D72-L76 PolarHBondContact O-N 3.39Å; D72-L76 VanDerWaalsContact O-N 3.1Å; W73-L76 HydrophobicContact CE3-CD1 3.63Å; W73-L76 HydrophobicContact CZ3-CD1 4.02Å; L76-E80 HydrophobicContact CB-CB 4.33Å; L76-E80 HydrophobicContact CD2-CB 4.07Å; L76-K81 HydrophobicContact CB-CD 4.5Å; L76-K81 HydrophobicContact CB-CG 3.99Å; L76-K81 WeakPolarHBondContact O-CE 3.28Å; L76-K81 PolarHBondContact O-NZ 3.29Å |
| 77 | T | 98.3 | Very high | 98.1 | Very high | 78 Ų | 78 | 80.5 Ų | 80.5 | 48% | 0.479 | 41% | 0.411 | S | S | . | . | trans | -69.2 | 160.4 | 172.5 | 63.8 | 0 | 0 | 0 | 0 | 111.2 | L75 A79 E80 K81 | L75-T77 PolarHBondContact O-N 2.94Å; T77-A79 PolarHBondContact O-N 3.18Å; T77-E80 WeakPolarHBondContact CB-OE2 3.37Å; T77-E80 PolarHBondContact N-OE2 3.41Å; T77-E80 PolarHBondContact O-N 3.36Å; T77-E80 VanDerWaalsContact O-N 3.14Å; T77-E80 VanDerWaalsContact OG1-CG 3.27Å; T77-E80 WeakPolarHBondContact OG1-CG 3.46Å; T77-E80 PolarHBondContact OG1-N 2.85Å; T77-E80 PolarHBondContact OG1-OE2 3.39Å; T77-K81 WeakPolarHBondContact O-CG 3.43Å; T77-K81 PolarHBondContact O-N 3.16Å | ||
| 78 | D | 97.4 | Very high | 98.1 | Very high | 129 Ų | 129 | 74.8 Ų | 74.8 | 69% | 0.69 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.6 | -30.2 | 177.3 | -71.1 | -22.2 | 0 | 0 | 0 | 112.4 | K81 R82 | D78-K81 PolarHBondContact O-N 3.43Å; D78-R82 WeakPolarHBondContact O-CB 3.4Å; D78-R82 PolarHBondContact O-N 3.22Å |
| 79 | A | 97.9 | Very high | 98.1 | Very high | 76 Ų | 76 | 75.4 Ų | 75.4 | 63% | 0.628 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.6 | -43.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T77 R82 P83 | T77-A79 PolarHBondContact O-N 3.18Å; A79-R82 WeakPolarHBondContact O-CB 3.33Å; A79-R82 PolarHBondContact O-N 3.11Å; A79-P83 WeakPolarHBondContact O-CD 3.34Å |
| 80 | E | 97.5 | Very high | 98.1 | Very high | 95 Ų | 95 | 81 Ų | 81 | 44% | 0.444 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.6 | -32.5 | 177.4 | -67.1 | 165.5 | 126.2 | 0 | 0 | 112.4 | L76 T77 P83 F84 | L76-E80 HydrophobicContact CB-CB 4.33Å; L76-E80 HydrophobicContact CD2-CB 4.07Å; T77-E80 WeakPolarHBondContact CB-OE2 3.37Å; T77-E80 PolarHBondContact N-OE2 3.41Å; T77-E80 PolarHBondContact O-N 3.36Å; T77-E80 VanDerWaalsContact O-N 3.14Å; T77-E80 VanDerWaalsContact OG1-CG 3.27Å; T77-E80 WeakPolarHBondContact OG1-CG 3.46Å; T77-E80 PolarHBondContact OG1-N 2.85Å; T77-E80 PolarHBondContact OG1-OE2 3.39Å; E80-P83 WeakPolarHBondContact O-CD 3.39Å; E80-P83 WeakPolarHBondContact O-CG 3.36Å; E80-F84 VanDerWaalsContact O-CD2 3.28Å; E80-F84 WeakPolarHBondContact O-CD2 3.46Å; E80-F84 VanDerWaalsContact O-CE2 3.27Å; E80-F84 WeakPolarHBondContact O-CE2 3.48Å |
| 81 | K | 98.2 | Very high | 98.1 | Very high | 30 Ų | 30 | 82.2 Ų | 82.2 | 13% | 0.13 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -72.7 | -29.6 | 175.9 | -70.4 | 168.1 | 171.7 | 146.9 | 0 | 112.6 | W73 L76 T77 D78 F84 I85 | W73-K81 HydrophobicContact CE3-CG 4.46Å; W73-K81 HydrophobicContact CH2-CB 3.95Å; W73-K81 HydrophobicContact CH2-CG 3.7Å; W73-K81 HydrophobicContact CZ2-CB 4.29Å; W73-K81 HydrophobicContact CZ2-CD 4.19Å; W73-K81 HydrophobicContact CZ2-CG 3.86Å; W73-K81 HydrophobicContact CZ3-CG 4.01Å; W73-K81 WeakPolarHBondContact O-CE 3.49Å; W73-K81 PolarHBondContact O-NZ 2.69Å; L76-K81 HydrophobicContact CB-CD 4.5Å; L76-K81 HydrophobicContact CB-CG 3.99Å; L76-K81 WeakPolarHBondContact O-CE 3.28Å; L76-K81 PolarHBondContact O-NZ 3.29Å; T77-K81 WeakPolarHBondContact O-CG 3.43Å; T77-K81 PolarHBondContact O-N 3.16Å; D78-K81 PolarHBondContact O-N 3.43Å; K81-F84 PolarHBondContact O-N 2.93Å; K81-I85 HydrophobicContact CB-CD1 3.87Å; K81-I85 HydrophobicContact CB-CG1 4.45Å; K81-I85 WeakPolarHBondContact O-CG1 2.84Å; K81-I85 PolarHBondContact O-N 2.94Å |
| 82 | R | 98.3 | Very high | 98.1 | Very high | 170 Ų | 170 | 88 Ų | 88 | 64% | 0.642 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -50 | -50.6 | -173.4 | -159.4 | 162.6 | -179.4 | 110 | -4.6 | 114.9 | D78 A79 F84 I85 D86 | D78-R82 WeakPolarHBondContact O-CB 3.4Å; D78-R82 PolarHBondContact O-N 3.22Å; A79-R82 WeakPolarHBondContact O-CB 3.33Å; A79-R82 PolarHBondContact O-N 3.11Å; R82-F84 VanDerWaalsContact C-N 3.27Å; R82-F84 PolarHBondContact O-N 3.29Å; R82-I85 WeakPolarHBondContact O-CB 3.42Å; R82-I85 PolarHBondContact O-N 3.15Å; R82-I85 VanDerWaalsContact O-N 3.15Å; R82-D86 PolarHBondContact O-N 3.27Å |
| 83 | P | 98.3 | Very high | 98.1 | Very high | 75 Ų | 75 | 87.5 Ų | 87.5 | 49% | 0.487 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.9 | -37.6 | 178 | 22 | -34.5 | 0 | 0 | 0 | 112.9 | A79 E80 E87 | A79-P83 WeakPolarHBondContact O-CD 3.34Å; E80-P83 WeakPolarHBondContact O-CD 3.39Å; E80-P83 WeakPolarHBondContact O-CG 3.36Å; P83-E87 WeakPolarHBondContact O-CB 3.4Å; P83-E87 PolarHBondContact O-N 2.79Å |
| 84 | F | 98.3 | Very high | 98 | Very high | 63 Ų | 63 | 89 Ų | 89 | 28% | 0.276 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -75.8 | -30.7 | 179.3 | -52.4 | -71.3 | 0 | 0 | 0 | 112.7 | V44 W45 W73 E80 K81 R82 A88 | V44-F84 HydrophobicContact CG1-CD1 4.18Å; W45-F84 HydrophobicContact CB-CB 4.22Å; W45-F84 HydrophobicContact CB-CD1 3.8Å; W45-F84 HydrophobicContact CB-CD2 4.13Å; W45-F84 HydrophobicContact CB-CE1 4.2Å; W45-F84 HydrophobicContact CB-CG 3.76Å; W45-F84 AromaticContact CD1-CD2 3.91Å; W45-F84 AromaticContact CD1-CE2 3.54Å; W45-F84 AromaticContact CD1-CZ 3.6Å; W45-F84 HydrophobicContact CG-CD2 4.33Å; W45-F84 HydrophobicContact CG-CE2 4.36Å; W45-F84 HydrophobicContact CG-CG 4.43Å; W45-F84 HydrophobicContact CG-CZ 4.47Å; W73-F84 HydrophobicContact CH2-CB 4.18Å; W73-F84 HydrophobicContact CZ3-CB 4.43Å; W73-F84 HydrophobicContact CZ3-CD2 4.19Å; E80-F84 VanDerWaalsContact O-CD2 3.28Å; E80-F84 WeakPolarHBondContact O-CD2 3.46Å; E80-F84 VanDerWaalsContact O-CE2 3.27Å; E80-F84 WeakPolarHBondContact O-CE2 3.48Å; K81-F84 PolarHBondContact O-N 2.93Å; R82-F84 VanDerWaalsContact C-N 3.27Å; R82-F84 PolarHBondContact O-N 3.29Å; F84-A88 VanDerWaalsContact O-CB 3.31Å; F84-A88 WeakPolarHBondContact O-CB 3.31Å; F84-A88 PolarHBondContact O-N 2.99Å |
| 85 | I | 98.1 | Very high | 98 | Very high | 61 Ų | 61 | 81.9 Ų | 81.9 | 31% | 0.313 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.8 | -47.4 | 172.5 | -69.4 | 167.6 | 0 | 0 | 0 | 109.9 | A41 K81 R82 A88 K89 | A41-I85 HydrophobicContact CB-CB 4.48Å; A41-I85 HydrophobicContact CB-CG1 3.87Å; K81-I85 HydrophobicContact CB-CD1 3.87Å; K81-I85 HydrophobicContact CB-CG1 4.45Å; K81-I85 WeakPolarHBondContact O-CG1 2.84Å; K81-I85 PolarHBondContact O-N 2.94Å; R82-I85 WeakPolarHBondContact O-CB 3.42Å; R82-I85 PolarHBondContact O-N 3.15Å; R82-I85 VanDerWaalsContact O-N 3.15Å; I85-A88 PolarHBondContact O-N 3.43Å; I85-K89 WeakPolarHBondContact O-CG 3.37Å; I85-K89 PolarHBondContact O-N 2.86Å |
| 86 | D | 98.4 | Very high | 98 | Very high | 70 Ų | 70 | 79.1 Ų | 79.1 | 37% | 0.374 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.5 | -38.1 | -179.1 | -67.8 | -22.8 | 0 | 0 | 0 | 111.5 | R82 A88 K89 R90 | R82-D86 PolarHBondContact O-N 3.27Å; D86-A88 PolarHBondContact O-N 3.21Å; D86-K89 WeakPolarHBondContact O-CB 3.17Å; D86-K89 PolarHBondContact O-N 2.97Å; D86-K89 IonicContact OD1-NZ 3.41Å; D86-K89 PolarHBondContact OD1-NZ 3.22Å; D86-R90 WeakPolarHBondContact O-CB 3.5Å; D86-R90 PolarHBondContact O-N 2.69Å |
| 87 | E | 98.1 | Very high | 98 | Very high | 63 Ų | 63 | 85.6 Ų | 85.6 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 172.2 | -179.4 | 56.6 | -163.7 | 0 | 0 | 112.4 | V44 P83 K89 R90 L91 | V44-E87 HydrophobicContact CG1-CB 4.31Å; V44-E87 HydrophobicContact CG1-CG 3.82Å; P83-E87 WeakPolarHBondContact O-CB 3.4Å; P83-E87 PolarHBondContact O-N 2.79Å; E87-K89 VanDerWaalsContact C-N 3.32Å; E87-K89 PolarHBondContact O-N 3.29Å; E87-R90 WeakPolarHBondContact O-CB 3.4Å; E87-R90 PolarHBondContact O-N 3.49Å; E87-R90 IonicContact OE1-CZ 3.69Å; E87-R90 IonicContact OE1-NE 3.29Å; E87-R90 PolarHBondContact OE1-NE 3.26Å; E87-R90 IonicContact OE1-NH2 3.72Å; E87-R90 PolarHBondContact OE1-NH2 3.02Å; E87-R90 IonicContact OE2-CZ 2.69Å; E87-R90 IonicContact OE2-NE 2.79Å; E87-R90 PolarHBondContact OE2-NE 3.42Å; E87-R90 IonicContact OE2-NH2 2.89Å; E87-L91 HydrophobicContact CG-CD1 4.37Å; E87-L91 WeakPolarHBondContact O-CG 3.15Å; E87-L91 PolarHBondContact O-N 3.31Å |
| 88 | A | 98.3 | Very high | 97.9 | Very high | 13 Ų | 13 | 87.5 Ų | 87.5 | 11% | 0.107 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A41 V44 F84 I85 D86 R92 | A41-A88 HydrophobicContact CB-CB 4.1Å; A41-A88 VanDerWaalsContact N-CB 3.29Å; V44-A88 HydrophobicContact CG2-CB 4.31Å; F84-A88 VanDerWaalsContact O-CB 3.31Å; F84-A88 WeakPolarHBondContact O-CB 3.31Å; F84-A88 PolarHBondContact O-N 2.99Å; I85-A88 PolarHBondContact O-N 3.43Å; D86-A88 PolarHBondContact O-N 3.21Å; A88-R92 WeakPolarHBondContact O-CB 3.42Å; A88-R92 PolarHBondContact O-N 3.43Å |
| 89 | K | 98.6 | Very high | 97.7 | Very high | 123 Ų | 123 | 84.6 Ų | 84.6 | 54% | 0.535 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 172.2 | -69.8 | 172.4 | -166.9 | 155.8 | 0 | 110.8 | I85 D86 E87 R92 A93 | I85-K89 WeakPolarHBondContact O-CG 3.37Å; I85-K89 PolarHBondContact O-N 2.86Å; D86-K89 WeakPolarHBondContact O-CB 3.17Å; D86-K89 PolarHBondContact O-N 2.97Å; D86-K89 IonicContact OD1-NZ 3.41Å; D86-K89 PolarHBondContact OD1-NZ 3.22Å; E87-K89 VanDerWaalsContact C-N 3.32Å; E87-K89 PolarHBondContact O-N 3.29Å; K89-R92 PolarHBondContact O-N 2.95Å; K89-A93 PolarHBondContact O-N 3.05Å |
| 90 | R | 98.5 | Very high | 97.6 | Very high | 120 Ų | 120 | 85.9 Ų | 85.9 | 45% | 0.453 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.5 | -49 | 176.9 | -168.2 | -164.4 | 69.8 | 77.8 | 1 | 111 | D86 E87 R92 A93 M94 | D86-R90 WeakPolarHBondContact O-CB 3.5Å; D86-R90 PolarHBondContact O-N 2.69Å; E87-R90 WeakPolarHBondContact O-CB 3.4Å; E87-R90 PolarHBondContact O-N 3.49Å; E87-R90 IonicContact OE1-CZ 3.69Å; E87-R90 IonicContact OE1-NE 3.29Å; E87-R90 PolarHBondContact OE1-NE 3.26Å; E87-R90 IonicContact OE1-NH2 3.72Å; E87-R90 PolarHBondContact OE1-NH2 3.02Å; E87-R90 IonicContact OE2-CZ 2.69Å; E87-R90 IonicContact OE2-NE 2.79Å; E87-R90 PolarHBondContact OE2-NE 3.42Å; E87-R90 IonicContact OE2-NH2 2.89Å; R90-R92 VanDerWaalsContact C-N 3.32Å; R90-R92 PolarHBondContact O-N 3.26Å; R90-A93 PolarHBondContact O-N 2.93Å; R90-M94 WeakPolarHBondContact O-CG 3.37Å; R90-M94 PolarHBondContact O-N 3.31Å |
| 91 | L | 98.2 | Very high | 97.4 | Very high | 49 Ų | 49 | 88.8 Ų | 88.8 | 26% | 0.257 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 176.5 | -71.7 | 172.9 | 0 | 0 | 0 | 112.1 | M39 V44 E87 H95 | M39-L91 HydrophobicContact CB-CD1 4.35Å; V44-L91 HydrophobicContact CG2-CD1 3.74Å; E87-L91 HydrophobicContact CG-CD1 4.37Å; E87-L91 WeakPolarHBondContact O-CG 3.15Å; E87-L91 PolarHBondContact O-N 3.31Å; L91-H95 VanDerWaalsContact O-CB 3.22Å; L91-H95 WeakPolarHBondContact O-CB 3.45Å; L91-H95 PolarHBondContact O-N 2.77Å |
| 92 | R | 97.6 | Very high | 97.3 | Very high | 171 Ų | 171 | 89.7 Ų | 89.7 | 65% | 0.645 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.7 | -44.7 | 175.3 | -174.7 | -179.5 | -178.8 | -172 | -0.6 | 111.7 | P38 A88 K89 R90 H95 M96 | P38-R92 HydrophobicContact CG-CB 4.48Å; P38-R92 HydrophobicContact CG-CG 4.47Å; A88-R92 WeakPolarHBondContact O-CB 3.42Å; A88-R92 PolarHBondContact O-N 3.43Å; K89-R92 PolarHBondContact O-N 2.95Å; R90-R92 VanDerWaalsContact C-N 3.32Å; R90-R92 PolarHBondContact O-N 3.26Å; R92-H95 PolarHBondContact O-N 2.9Å; R92-M96 WeakPolarHBondContact O-CG 3.37Å; R92-M96 PolarHBondContact O-N 2.89Å |
| 93 | A | 97.8 | Very high | 97.1 | Very high | 64 Ų | 64 | 89 Ų | 89 | 53% | 0.529 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K89 R90 H95 M96 K97 | K89-A93 PolarHBondContact O-N 3.05Å; R90-A93 PolarHBondContact O-N 2.93Å; A93-H95 VanDerWaalsContact C-N 3.31Å; A93-H95 PolarHBondContact O-N 2.79Å; A93-M96 PolarHBondContact O-N 2.89Å; A93-K97 PolarHBondContact O-N 3.22Å |
| 94 | M | 97.5 | Very high | 97 | Very high | 74 Ų | 74 | 90.7 Ų | 90.7 | 37% | 0.365 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.1 | -46.2 | 174 | -72.5 | -61.6 | -61 | 0 | 0 | 111.3 | R90 M96 K97 E98 | R90-M94 WeakPolarHBondContact O-CG 3.37Å; R90-M94 PolarHBondContact O-N 3.31Å; M94-M96 VanDerWaalsContact C-N 3.33Å; M94-M96 PolarHBondContact O-N 3.21Å; M94-K97 WeakPolarHBondContact O-CB 3.47Å; M94-K97 PolarHBondContact O-N 3.24Å; M94-K97 VanDerWaalsContact O-N 3.12Å; M94-E98 WeakPolarHBondContact CE-OE1 3.25Å; M94-E98 WeakPolarHBondContact O-CB 3.22Å; M94-E98 WeakPolarHBondContact O-CG 3.4Å; M94-E98 PolarHBondContact O-N 2.97Å |
| 95 | H | 97.9 | Very high | 96.7 | Very high | 18 Ų | 18 | 96.1 Ų | 96.1 | 8% | 0.083 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 179 | -170.1 | 80.7 | 0 | 0 | 0 | 113.3 | V35 K36 P38 L91 R92 A93 K97 H99 Y102 | V35-H95 WeakPolarHBondContact CG1-CE1 3.31Å; K36-H95 PolarHBondContact O-CE1 3.41Å; K36-H95 PolarHBondContact O-NE2 2.88Å; P38-H95 HydrophobicContact CB-CB 4.01Å; P38-H95 HydrophobicContact CG-CB 4.18Å; L91-H95 VanDerWaalsContact O-CB 3.22Å; L91-H95 WeakPolarHBondContact O-CB 3.45Å; L91-H95 PolarHBondContact O-N 2.77Å; R92-H95 PolarHBondContact O-N 2.9Å; A93-H95 VanDerWaalsContact C-N 3.31Å; A93-H95 PolarHBondContact O-N 2.79Å; H95-K97 VanDerWaalsContact C-N 3.33Å; H95-H99 AromaticContact CE1-CD2 3.53Å; H95-H99 AromaticContact ND1-CD2 3.59Å; H95-H99 WeakPolarHBondContact O-CA 3.44Å; H95-H99 WeakPolarHBondContact O-CB 3.39Å; H95-H99 PolarHBondContact O-N 2.96Å; H95-Y102 AromaticContact CD2-CD1 3.97Å; H95-Y102 AromaticContact NE2-CD1 3.64Å; H95-Y102 AromaticContact NE2-CD2 3.54Å; H95-Y102 AromaticContact NE2-CE1 3.8Å; H95-Y102 AromaticContact NE2-CE2 3.71Å; H95-Y102 AromaticContact NE2-CG 3.48Å; H95-Y102 AromaticContact NE2-CZ 3.82Å |
| 96 | M | 96.8 | Very high | 96.4 | Very high | 84 Ų | 84 | 97.2 Ų | 97.2 | 41% | 0.414 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.8 | -32.6 | 175.6 | -63.8 | -77.7 | 86.4 | 0 | 0 | 112.5 | R92 A93 M94 H99 P100 Y102 | R92-M96 WeakPolarHBondContact O-CG 3.37Å; R92-M96 PolarHBondContact O-N 2.89Å; A93-M96 PolarHBondContact O-N 2.89Å; M94-M96 VanDerWaalsContact C-N 3.33Å; M94-M96 PolarHBondContact O-N 3.21Å; M96-H99 CarbonylContact O-C 3.51Å; M96-P100 WeakPolarHBondContact O-CA 3.5Å; M96-Y102 HydrophobicContact CE-CD1 3.68Å; M96-Y102 HydrophobicContact CE-CG 4.26Å |
| 97 | K | 97.1 | Very high | 96 | Very high | 172 Ų | 172 | 103.8 Ų | 103.8 | 75% | 0.748 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72.6 | -44.1 | 175.5 | -176.3 | -177.6 | 176.4 | -176.2 | 0 | 112 | A93 M94 H95 | A93-K97 PolarHBondContact O-N 3.22Å; M94-K97 WeakPolarHBondContact O-CB 3.47Å; M94-K97 PolarHBondContact O-N 3.24Å; M94-K97 VanDerWaalsContact O-N 3.12Å; H95-K97 VanDerWaalsContact C-N 3.33Å |
| 98 | E | 96.3 | Very high | 95.6 | Very high | 118 Ų | 118 | 112.1 Ų | 112.1 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -74.2 | -30.2 | -179.3 | -70.7 | 171.2 | -179.2 | 0 | 0 | 112.4 | M94 | M94-E98 WeakPolarHBondContact CE-OE1 3.25Å; M94-E98 WeakPolarHBondContact O-CB 3.22Å; M94-E98 WeakPolarHBondContact O-CG 3.4Å; M94-E98 PolarHBondContact O-N 2.97Å |
| 99 | H | 94.6 | Very high | 95 | Very high | 68 Ų | 68 | 119.9 Ų | 119.9 | 32% | 0.315 | 54% | 0.541 | S | S | . | . | trans | -129.5 | 76 | -179.9 | -54.2 | -68.1 | 0 | 0 | 0 | 110.7 | V35 H95 M96 D101 Y102 | V35-H99 HydrophobicContact CG1-CB 4.38Å; H95-H99 AromaticContact CE1-CD2 3.53Å; H95-H99 AromaticContact ND1-CD2 3.59Å; H95-H99 WeakPolarHBondContact O-CA 3.44Å; H95-H99 WeakPolarHBondContact O-CB 3.39Å; H95-H99 PolarHBondContact O-N 2.96Å; M96-H99 CarbonylContact O-C 3.51Å; H99-D101 VanDerWaalsContact C-N 3.27Å; H99-D101 PolarHBondContact O-N 2.83Å; H99-Y102 WeakPolarHBondContact O-CB 3.22Å; H99-Y102 PolarHBondContact O-N 2.93Å; H99-Y102 VanDerWaalsContact O-N 3.08Å | ||
| 100 | P | 94.6 | Very high | 94.2 | Very high | 102 Ų | 102 | 120.6 Ų | 120.6 | 66% | 0.662 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -33.4 | -178.4 | 24.4 | -33.7 | 0 | 0 | 0 | 112.8 | M96 Y102 | M96-P100 WeakPolarHBondContact O-CA 3.5Å; P100-Y102 VanDerWaalsContact C-N 3.25Å; P100-Y102 PolarHBondContact O-N 2.97Å |
| 101 | D | 94.1 | Very high | 93.3 | Very high | 156 Ų | 156 | 124.3 Ų | 124.3 | 83% | 0.834 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 6.2 | 177.8 | -60.4 | -45.4 | 0 | 0 | 0 | 113.6 | H99 K103 | H99-D101 VanDerWaalsContact C-N 3.27Å; H99-D101 PolarHBondContact O-N 2.83Å; D101-K103 PolarHBondContact O-N 3.23Å; D101-K103 VanDerWaalsContact O-N 3.08Å |
| 102 | Y | 96 | Very high | 92.1 | Very high | 50 Ų | 50 | 127.9 Ų | 127.9 | 20% | 0.196 | 60% | 0.599 | C | S | . | * | trans | -63.2 | 116.4 | -179.1 | -179.2 | -100 | 0 | 0 | 0 | 111.5 | V35 R37 H95 M96 H99 P100 | V35-Y102 HydrophobicContact CB-CD2 3.85Å; V35-Y102 HydrophobicContact CB-CE2 4.01Å; V35-Y102 HydrophobicContact CG1-CD2 3.48Å; V35-Y102 VanDerWaalsContact CG1-CD2 3.48Å; V35-Y102 HydrophobicContact CG1-CE2 3.72Å; V35-Y102 HydrophobicContact CG1-CG 4.47Å; V35-Y102 WeakPolarHBondContact O-CE2 3.46Å; R37-Y102 VanDerWaalsContact CG-OH 3.22Å; R37-Y102 WeakPolarHBondContact CG-OH 3.4Å; H95-Y102 AromaticContact CD2-CD1 3.97Å; H95-Y102 AromaticContact NE2-CD1 3.64Å; H95-Y102 AromaticContact NE2-CD2 3.54Å; H95-Y102 AromaticContact NE2-CE1 3.8Å; H95-Y102 AromaticContact NE2-CE2 3.71Å; H95-Y102 AromaticContact NE2-CG 3.48Å; H95-Y102 AromaticContact NE2-CZ 3.82Å; M96-Y102 HydrophobicContact CE-CD1 3.68Å; M96-Y102 HydrophobicContact CE-CG 4.26Å; H99-Y102 WeakPolarHBondContact O-CB 3.22Å; H99-Y102 PolarHBondContact O-N 2.93Å; H99-Y102 VanDerWaalsContact O-N 3.08Å; P100-Y102 VanDerWaalsContact C-N 3.25Å; P100-Y102 PolarHBondContact O-N 2.97Å | ||
| 103 | K | 94 | Very high | 90.5 | Very high | 155 Ų | 155 | 127.5 Ų | 127.5 | 67% | 0.674 | 61% | 0.609 | S | S | * | * | trans | -123.6 | 125.4 | 174.1 | -170.3 | 167.3 | -176 | 169.1 | 0 | 111.7 | D101 R105 | D101-K103 PolarHBondContact O-N 3.23Å; D101-K103 VanDerWaalsContact O-N 3.08Å; K103-R105 PolarHBondContact O-N 3.43Å; K103-R105 VanDerWaalsContact O-N 3.14Å | ||
| 104 | Y | 95.4 | Very high | 88.8 | Confident | 111 Ų | 111 | 131.4 Ų | 131.4 | 44% | 0.435 | 62% | 0.62 | S | S | . | * | trans | -69.6 | 112.2 | 174.6 | 176.7 | -132.3 | 0 | 0 | 0 | 111.2 | R37 P106 | R37-Y104 VanDerWaalsContact NH1-CE2 3.29Å; R37-Y104 PolarHBondContact NH1-OH 3.01Å; R37-Y104 PolarHBondContact NH2-OH 3.46Å; Y104-P106 HydrophobicContact CD1-CG 4.33Å; Y104-P106 HydrophobicContact CE1-CB 4.48Å; Y104-P106 HydrophobicContact CE1-CG 3.64Å; Y104-P106 HydrophobicContact CE2-CB 4.25Å; Y104-P106 HydrophobicContact CE2-CG 4.05Å; Y104-P106 VanDerWaalsContact CZ-CG 3.48Å | ||
| 105 | R | 92.6 | Very high | 86.8 | Confident | 177 Ų | 177 | 137.4 Ų | 137.4 | 67% | 0.668 | 64% | 0.644 | S | S | * | * | trans | -117.5 | 96.3 | 174.7 | -69.3 | 177.6 | 167.1 | -120.8 | 2.5 | 110.1 | R34 K103 | R34-R105 PolarHBondContact NH2-O 3.17Å; K103-R105 PolarHBondContact O-N 3.43Å; K103-R105 VanDerWaalsContact O-N 3.14Å | ||
| 106 | P | 92.4 | Very high | 84.8 | Confident | 84 Ų | 84 | 145.6 Ų | 145.6 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 133.5 | 171.3 | -4.5 | 9.6 | 0 | 0 | 0 | 110.7 | Y104 | Y104-P106 HydrophobicContact CD1-CG 4.33Å; Y104-P106 HydrophobicContact CE1-CB 4.48Å; Y104-P106 HydrophobicContact CE1-CG 3.64Å; Y104-P106 HydrophobicContact CE2-CB 4.25Å; Y104-P106 HydrophobicContact CE2-CG 4.05Å; Y104-P106 VanDerWaalsContact CZ-CG 3.48Å |
| 107 | R | 90.1 | Very high | 82.9 | Confident | 208 Ų | 208 | 149 Ų | 149 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -85 | 117.4 | 176.4 | -171.3 | 168.6 | -173.4 | -92.9 | 0.3 | 109.8 | ||
| 108 | R | 88.9 | Confident | 80.9 | Confident | 237 Ų | 237 | 149.2 Ų | 149.2 | 89% | 0.894 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -74 | 133.4 | 170.3 | -63.6 | 179.9 | 73.6 | -177.9 | 2.5 | 108.9 | ||
| 109 | K | 85.4 | Confident | 78.8 | Confident | 177 Ų | 177 | 154.4 Ų | 154.4 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 129.3 | 168.4 | -65.3 | -173.7 | 179.7 | -176.4 | 0 | 108.1 | K111 | K109-K111 PolarHBondContact O-N 2.86Š|
| 110 | T | 83.3 | Confident | 76.4 | Confident | 138 Ų | 138 | 156.3 Ų | 156.3 | 85% | 0.847 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 116.5 | 172.7 | -22.4 | 0 | 0 | 0 | 0 | 108 | T112 | T110-T112 PolarHBondContact O-N 3.03Š|
| 111 | K | 78.6 | Confident | 74 | Confident | 197 Ų | 197 | 159.8 Ų | 159.8 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | -74.6 | 104.7 | 171 | -65.7 | -176.3 | 73.1 | -178.5 | 0 | 106.7 | K109 L113 | K109-K111 PolarHBondContact O-N 2.86Å; K111-L113 PolarHBondContact O-N 3.12Å | ||
| 112 | T | 72.1 | Confident | 71.8 | Confident | 124 Ų | 124 | 158.3 Ų | 158.3 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | trans | -67.2 | 103.9 | 171.3 | 52.3 | 0 | 0 | 0 | 0 | 108 | T110 L114 | T110-T112 PolarHBondContact O-N 3.03Å; T112-L114 PolarHBondContact O-N 3.37Å | ||
| 113 | L | 64.6 | Low | 69.1 | Low | 164 Ų | 164 | 159.4 Ų | 159.4 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | -72.3 | -4.2 | -179.7 | -158.1 | 140.9 | 0 | 0 | 0 | 112.5 | K111 | K111-L113 PolarHBondContact O-N 3.12Š| ||
| 114 | L | 62.4 | Low | 66.8 | Low | 145 Ų | 145 | 155.4 Ų | 155.4 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -108.8 | 78.3 | -169.5 | -58.5 | 167.6 | 0 | 0 | 0 | 111.5 | T112 | T112-L114 PolarHBondContact O-N 3.37Š| ||
| 115 | K | 55.4 | Low | 64.4 | Low | 200 Ų | 200 | 157.8 Ų | 157.8 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | trans | -172.4 | 55.6 | 158.4 | -104.8 | 150.8 | -177.8 | 173.7 | 0 | 109.9 | ||||
| 116 | K | 56.7 | Low | 61.9 | Low | 191 Ų | 191 | 157 Ų | 157 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -133.9 | 46.6 | 163.3 | -159 | 176.1 | 178 | -179.8 | 0 | 110.8 | ||||
| 117 | D | 55.7 | Low | 59.5 | Low | 155 Ų | 155 | 157.5 Ų | 157.5 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -133.9 | 19.7 | 171 | -64.7 | -50.3 | 0 | 0 | 0 | 112.6 | ||
| 118 | K | 55.5 | Low | 57.4 | Low | 176 Ų | 176 | 153.9 Ų | 153.9 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -132.8 | 114.5 | 168.9 | -69.1 | -165.5 | -92.8 | -122 | 0 | 107.4 | ||
| 119 | Y | 52.3 | Low | 54.9 | Low | 228 Ų | 228 | 146.1 Ų | 146.1 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 84.9 | 78.1 | 178.2 | -48.6 | -75.7 | 0 | 0 | 0 | 116.4 | ||
| 120 | S | 43.3 | Very low | 52.7 | Low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | -171.1 | 88.1 | 126.7 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 121 | L | 44.1 | Very low | 50.7 | Low | 174 Ų | 174 | 145.1 Ų | 145.1 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | trans | -131.5 | 112.4 | 142.7 | -83.4 | 174.2 | 0 | 0 | 0 | 106.8 | G123 | L121-G123 PolarHBondContact O-N 3.24Š| ||
| 122 | P | 49.5 | Very low | 48.8 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -84.5 | 100.4 | 165.3 | 31.7 | -23.9 | 0 | 0 | 0 | 107.1 | ||||
| 123 | G | 37.7 | Very low | 47.1 | Very low | 72 Ų | 72 | 140.6 Ų | 140.6 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | -146.2 | 86.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | L121 | L121-G123 PolarHBondContact O-N 3.24Š| ||
| 124 | G | 46.4 | Very low | 45.9 | Very low | 72 Ų | 72 | 140.2 Ų | 140.2 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -66.9 | 164.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 125 | L | 44.5 | Very low | 44.5 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | 106.6 | 104.2 | 169.4 | -54.2 | -175.8 | 0 | 0 | 0 | 115.7 | ||||
| 126 | L | 41.6 | Very low | 43.6 | Very low | 159 Ų | 159 | 134.9 Ų | 134.9 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | 97.7 | 101.7 | 136.6 | -54 | 154.6 | 0 | 0 | 0 | 119.8 | ||||
| 127 | A | 41.2 | Very low | 42.7 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 64.7 | 142.9 | 128.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 128 | P | 45.8 | Very low | 42 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -94.9 | 151.6 | -172.2 | 38.1 | -32.2 | 0 | 0 | 0 | 113.3 | ||||
| 129 | G | 36.7 | Very low | 41.2 | Very low | 73 Ų | 73 | 129.2 Ų | 129.2 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | 118.2 | 109.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 130 | S | 39.4 | Very low | 40.4 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | 177.4 | 126.9 | 136.2 | 30.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 131 | N | 41 | Very low | 40.3 | Very low | 170 Ų | 170 | 124.9 Ų | 124.9 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -67.3 | 140.1 | 166 | -80.2 | -48.5 | 0 | 0 | 0 | 110.4 | ||||
| 132 | A | 38.8 | Very low | 40 | Very low | 87 Ų | 87 | 126.9 Ų | 126.9 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | trans | -167.4 | 108.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 133 | V | 36.9 | Very low | 39.9 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | 32.1 | 134.9 | 133.4 | -70.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 134 | N | 38.2 | Very low | 39.8 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -0.6 | 134.2 | 146.4 | -76.8 | -41.6 | 0 | 0 | 0 | 118.7 | ||||
| 135 | N | 34.5 | Very low | 39.4 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | 166.9 | 149.1 | 92.1 | -155.1 | 17.5 | 0 | 0 | 0 | 113.1 | |||||
| 136 | S | 34.8 | Very low | 39.2 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 59% | 0.594 | 80% | 0.802 | S | S | * | * | trans | 50.1 | 120 | 146.9 | 62.8 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 137 | V | 38.6 | Very low | 39.3 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | 44.2 | 114.6 | 122.7 | -168.9 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 138 | S | 40.6 | Very low | 39.5 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -154.8 | 118.2 | 140.9 | 40.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 139 | V | 40.4 | Very low | 39.5 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -68.2 | 133.3 | 158.9 | 167.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 140 | G | 34.3 | Very low | 39.9 | Very low | 53 Ų | 53 | 141.8 Ų | 141.8 | 55% | 0.546 | 80% | 0.802 | S | S | . | * | trans | -163.4 | 102.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 141 | Q | 41.9 | Very low | 40.1 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -50.5 | 143 | 165.5 | -70.3 | -151.9 | -18.4 | 0 | 0 | 111.1 | ||||
| 142 | R | 37.9 | Very low | 40.4 | Very low | 216 Ų | 216 | 142.8 Ų | 142.8 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -141.9 | 108.6 | 158.6 | 48.9 | -170.9 | 172.6 | -84.1 | 2.3 | 109.2 | ||||
| 143 | M | 46.2 | Very low | 40.6 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | trans | -85.8 | 103.9 | 168.4 | -179.3 | 81.1 | 147.2 | 0 | 0 | 106.3 | ||||
| 144 | D | 35.7 | Very low | 41.2 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -153.5 | 126.2 | 165.8 | -68.5 | -61.9 | 0 | 0 | 0 | 104.1 | ||||
| 145 | G | 38.2 | Very low | 41.6 | Very low | 62 Ų | 62 | 143.9 Ų | 143.9 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | cis | 139.2 | 143.9 | 34.7 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 146 | Y | 40 | Very low | 42 | Very low | 224 Ų | 224 | 141.2 Ų | 141.2 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | 80 | 71.1 | 171.9 | -61.6 | -87.4 | 0 | 0 | 0 | 118.7 | H148 | Y146-H148 PolarHBondContact O-N 3.42Å; Y146-H148 PolarHBondContact O-ND1 3.01Å | ||
| 147 | A | 43.5 | Very low | 42.4 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 88% | 0.884 | 81% | 0.812 | S | S | * | * | trans | -68.4 | 104.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 148 | H | 46.6 | Very low | 43 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -70.3 | 128.5 | 174 | 40.5 | -75.1 | 0 | 0 | 0 | 109.5 | Y146 N150 | Y146-H148 PolarHBondContact O-N 3.42Å; Y146-H148 PolarHBondContact O-ND1 3.01Å; H148-N150 PolarHBondContact O-N 3.35Å | ||
| 149 | M | 45.6 | Very low | 43.5 | Very low | 168 Ų | 168 | 150 Ų | 150 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | trans | -56 | 121.4 | 163.9 | -86.1 | -146.2 | 77.1 | 0 | 0 | 109.6 | ||||
| 150 | N | 44.4 | Very low | 44 | Very low | 143 Ų | 143 | 152.1 Ų | 152.1 | 77% | 0.765 | 82% | 0.818 | S | S | * | * | 172.3 | 125.9 | 125.5 | -79.9 | -14.2 | 0 | 0 | 0 | 108.4 | H148 | H148-N150 PolarHBondContact O-N 3.35Š| |||
| 151 | G | 44.6 | Very low | 44.4 | Very low | 69 Ų | 69 | 158.7 Ų | 158.7 | 71% | 0.711 | 83% | 0.834 | S | S | * | * | trans | -55 | 143.4 | -160.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 152 | W | 46.8 | Very low | 44.3 | Very low | 246 Ų | 246 | 157 Ų | 157 | 93% | 0.932 | 83% | 0.831 | S | S | * | * | 175.7 | 91 | 112.7 | -87.1 | 27.5 | 0 | 0 | 0 | 106.7 | |||||
| 153 | T | 42.7 | Very low | 44.1 | Very low | 130 Ų | 130 | 155.5 Ų | 155.5 | 80% | 0.798 | 83% | 0.833 | S | S | * | * | trans | -113.3 | 101.2 | 167.1 | 55.3 | 0 | 0 | 0 | 0 | 108.7 | S155 | T153-S155 PolarHBondContact O-N 2.9Š| ||
| 154 | N | 50.4 | Low | 43.6 | Very low | 167 Ų | 167 | 155.2 Ų | 155.2 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | -72.1 | 85.1 | 161.3 | -92.3 | -81.8 | 0 | 0 | 0 | 107.4 | ||||
| 155 | S | 45.3 | Very low | 43.4 | Very low | 109 Ų | 109 | 152.2 Ų | 152.2 | 76% | 0.762 | 83% | 0.831 | S | S | * | * | trans | -156.3 | 32.1 | 173.1 | -143.7 | 0 | 0 | 0 | 0 | 113 | T153 | T153-S155 PolarHBondContact O-N 2.9Š| ||
| 156 | A | 43.1 | Very low | 43.2 | Very low | 91 Ų | 91 | 160.2 Ų | 160.2 | 75% | 0.752 | 84% | 0.843 | S | S | * | * | trans | -104.4 | 0.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 157 | Y | 43.1 | Very low | 43.6 | Very low | 236 Ų | 236 | 154.5 Ų | 154.5 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -116.4 | 75.9 | 173 | -71.1 | -77.4 | 0 | 0 | 0 | 110.6 | ||
| 158 | S | 52.3 | Low | 43.1 | Very low | 113 Ų | 113 | 156.7 Ų | 156.7 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -155.1 | 13.9 | 165.1 | -152.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 159 | L | 50.6 | Low | 42.5 | Very low | 179 Ų | 179 | 158 Ų | 158 | 94% | 0.937 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -130.8 | 30.5 | -176.2 | -137 | 101.5 | 0 | 0 | 0 | 114.6 | ||
| 160 | M | 49.9 | Very low | 41.9 | Very low | 190 Ų | 190 | 158 Ų | 158 | 94% | 0.936 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -131 | 46.6 | 172.1 | -160.7 | -156.4 | 135.8 | 0 | 0 | 112.2 | ||
| 161 | Q | 43.3 | Very low | 41.3 | Very low | 191 Ų | 191 | 156.4 Ų | 156.4 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -147.8 | 62.3 | 168.1 | -165.7 | 139.2 | 28 | 0 | 0 | 111 | ||||
| 162 | D | 40.4 | Very low | 40.8 | Very low | 155 Ų | 155 | 161.4 Ų | 161.4 | 83% | 0.829 | 84% | 0.836 | S | S | * | * | trans | -162.4 | 85 | 150.2 | -146.3 | 12.5 | 0 | 0 | 0 | 110.9 | ||||
| 163 | Q | 34.2 | Very low | 40.1 | Very low | 185 Ų | 185 | 157.2 Ų | 157.2 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | trans | -150.6 | 107.1 | 153.1 | -83.1 | -150.4 | 29.2 | 0 | 0 | 106.7 | ||||
| 164 | L | 35.3 | Very low | 39.7 | Very low | 175 Ų | 175 | 155.8 Ų | 155.8 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | trans | 173.4 | 81.9 | 135.5 | -86.8 | 174.3 | 0 | 0 | 0 | 107.7 | ||||
| 165 | A | 31.6 | Very low | 39.7 | Very low | 89 Ų | 89 | 152.8 Ų | 152.8 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | trans | -111.1 | 116.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 166 | Y | 33.6 | Very low | 39.2 | Very low | 231 Ų | 231 | 155.9 Ų | 155.9 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -144.2 | 153.4 | 157.9 | -99.1 | -85.4 | 0 | 0 | 0 | 109.2 | ||||
| 167 | P | 48.7 | Very low | 39 | Very low | 104 Ų | 104 | 158.1 Ų | 158.1 | 68% | 0.675 | 82% | 0.817 | S | S | * | * | trans | -102.4 | 160.4 | -144.1 | 38.9 | -35.7 | 0 | 0 | 0 | 116.1 | ||||
| 168 | Q | 32.7 | Very low | 38.7 | Very low | 152 Ų | 152 | 154.8 Ų | 154.8 | 71% | 0.71 | 81% | 0.81 | S | S | * | * | trans | 25 | 115.2 | 146.7 | -77.3 | -73.5 | -38 | 0 | 0 | 119.8 | ||||
| 169 | H | 34 | Very low | 38 | Very low | 196 Ų | 196 | 156.7 Ų | 156.7 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | trans | -145.1 | 142 | 143.2 | -89.2 | -83.9 | 0 | 0 | 0 | 111 | ||||
| 170 | H | 31.8 | Very low | 37.5 | Very low | 167 Ų | 167 | 155.2 Ų | 155.2 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -81.1 | 156.2 | -177.8 | -72.8 | 48.3 | 0 | 0 | 0 | 113 | ||||
| 171 | S | 32.1 | Very low | 37 | Very low | 109 Ų | 109 | 155 Ų | 155 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | 116.9 | 109.2 | 145.9 | -154.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 172 | M | 34.7 | Very low | 36.6 | Very low | 174 Ų | 174 | 155.3 Ų | 155.3 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | 52.1 | 132.6 | 131.4 | -63.4 | -69.7 | 165.7 | 0 | 0 | 122.8 | ||||
| 173 | N | 32.6 | Very low | 36.3 | Very low | 158 Ų | 158 | 156.7 Ų | 156.7 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | 102.4 | 105.8 | 139.1 | -129.8 | 32 | 0 | 0 | 0 | 119.1 | ||||
| 174 | S | 34.8 | Very low | 36.4 | Very low | 100 Ų | 100 | 157 Ų | 157 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -71.7 | 162.4 | 150.4 | -168.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 175 | P | 50.6 | Low | 36.8 | Very low | 104 Ų | 104 | 156.2 Ų | 156.2 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | cis | -151.6 | -178.4 | 37.2 | 34.9 | -8.8 | 0 | 0 | 0 | 118.6 | ||||
| 176 | Q | 34.2 | Very low | 37.3 | Very low | 174 Ų | 174 | 156.4 Ų | 156.4 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 127.7 | 140.7 | 143 | -72.1 | -72.6 | -11.6 | 0 | 0 | 117.8 | ||||
| 177 | I | 38.5 | Very low | 37.7 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | -97.9 | 170.1 | -169.3 | -87.4 | -178 | 0 | 0 | 0 | 110.4 | ||||
| 178 | Q | 36.8 | Very low | 37.4 | Very low | 167 Ų | 167 | 152.2 Ų | 152.2 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | 86.4 | 137.2 | 159.5 | -97.4 | 169 | 15.2 | 0 | 0 | 115.6 | ||||
| 179 | Q | 37.9 | Very low | 37.6 | Very low | 153 Ų | 153 | 153.7 Ų | 153.7 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | cis | -154.4 | 157.8 | 30.3 | -68.1 | -155.6 | 17.7 | 0 | 0 | 115.2 | ||||
| 180 | M | 39.9 | Very low | 37.6 | Very low | 147 Ų | 147 | 155 Ų | 155 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | -52 | 130.2 | 162.2 | -74.4 | -95.9 | -65.1 | 0 | 0 | 114.3 | R182 | M180-R182 HydrophobicContact CE-CB 4.48Š| ||
| 181 | H | 40.2 | Very low | 38.6 | Very low | 186 Ų | 186 | 152.6 Ų | 152.6 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -125.8 | 113.7 | 154.1 | -79 | -101.2 | 0 | 0 | 0 | 110.4 | ||||
| 182 | R | 34.3 | Very low | 38.7 | Very low | 198 Ų | 198 | 154.9 Ų | 154.9 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | trans | -107.9 | 140.1 | -175.3 | -155.4 | -133.3 | -84.3 | 174.9 | -6.2 | 106.5 | M180 | M180-R182 HydrophobicContact CE-CB 4.48Š| ||
| 183 | Y | 34.2 | Very low | 38.8 | Very low | 184 Ų | 184 | 155 Ų | 155 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 72 | 112.3 | 168.5 | -88.5 | -105.1 | 0 | 0 | 0 | 119.7 | M185 | Y183-M185 HydrophobicContact CD1-CB 4.2Å; Y183-M185 HydrophobicContact CD1-CG 3.9Å; Y183-M185 HydrophobicContact CE1-CB 4.38Å; Y183-M185 HydrophobicContact CE1-CG 3.75Å | ||
| 184 | E | 36.5 | Very low | 38.9 | Very low | 190 Ų | 190 | 151.4 Ų | 151.4 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -132 | 111 | 135.5 | -168.4 | 178.6 | 170.7 | 0 | 0 | 107.3 | ||||
| 185 | M | 43.6 | Very low | 39.2 | Very low | 159 Ų | 159 | 151.7 Ų | 151.7 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -113.6 | 98.4 | 175.3 | -93.8 | -80.3 | -177.8 | 0 | 0 | 107.2 | Y183 | Y183-M185 HydrophobicContact CD1-CB 4.2Å; Y183-M185 HydrophobicContact CD1-CG 3.9Å; Y183-M185 HydrophobicContact CE1-CB 4.38Å; Y183-M185 HydrophobicContact CE1-CG 3.75Å | ||
| 186 | A | 41.7 | Very low | 38.5 | Very low | 94 Ų | 94 | 151 Ų | 151 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | -164.9 | 116 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 187 | G | 41.9 | Very low | 38.6 | Very low | 70 Ų | 70 | 150.6 Ų | 150.6 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 105 | 92.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 188 | L | 42.6 | Very low | 38.8 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | -179.2 | 121.1 | 97.9 | -85.3 | 177.1 | 0 | 0 | 0 | 110.1 | |||||
| 189 | Q | 36.1 | Very low | 38.8 | Very low | 184 Ų | 184 | 151.4 Ų | 151.4 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -52.8 | 129.1 | 173.4 | -163.7 | 134.1 | -6.5 | 0 | 0 | 112.5 | ||||
| 190 | Y | 35.7 | Very low | 38.9 | Very low | 222 Ų | 222 | 153.2 Ų | 153.2 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | trans | -67.4 | 150.9 | 166.2 | -70.4 | -85.6 | 0 | 0 | 0 | 111.3 | ||||
| 191 | P | 51.7 | Low | 38.9 | Very low | 117 Ų | 117 | 153.6 Ų | 153.6 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -115.2 | 136.7 | 142.9 | 7.4 | 12.9 | 0 | 0 | 0 | 112 | ||||
| 192 | M | 33.6 | Very low | 38.8 | Very low | 158 Ų | 158 | 149 Ų | 149 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | trans | -84.9 | 134.5 | 169.7 | -178.4 | -87.5 | 179 | 0 | 0 | 109.7 | ||||
| 193 | M | 38.6 | Very low | 38.9 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 86% | 0.862 | 78% | 0.784 | S | S | * | * | trans | -148.2 | 108.8 | 163.6 | -40.6 | -167.2 | 85 | 0 | 0 | 105.4 | ||||
| 194 | S | 34.5 | Very low | 39 | Very low | 83 Ų | 83 | 140.6 Ų | 140.6 | 58% | 0.58 | 79% | 0.792 | S | S | * | * | 54.2 | 102.3 | 62 | -152 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 195 | S | 39.3 | Very low | 38.9 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | 49.9 | 125 | 141.1 | 62.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 196 | A | 36.6 | Very low | 38.4 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | 102.8 | 138.8 | 135.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 197 | Q | 36.7 | Very low | 38.2 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | 83.3 | 109 | 160 | -49.2 | -153 | -2.7 | 0 | 0 | 116.8 | ||||
| 198 | T | 41.6 | Very low | 38 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | 75 | 142.1 | 79.9 | -57 | 0 | 0 | 0 | 0 | 112 | |||||
| 199 | Y | 37.1 | Very low | 37.8 | Very low | 207 Ų | 207 | 142.6 Ų | 142.6 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | 92.2 | 96.2 | -178.4 | -54.7 | -74.9 | 0 | 0 | 0 | 115.8 | ||||
| 200 | M | 40.1 | Very low | 38.5 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 95% | 0.946 | 78% | 0.784 | S | S | * | * | -172 | 82.4 | 129.9 | -90.3 | -69.9 | -163.3 | 0 | 0 | 106.9 | |||||
| 201 | N | 40.1 | Very low | 38.5 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -93.7 | 113.1 | 162.7 | -175.4 | -41.5 | 0 | 0 | 0 | 105.9 | ||||
| 202 | A | 37.6 | Very low | 37.6 | Very low | 91 Ų | 91 | 137.4 Ų | 137.4 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | -121.8 | 92.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 203 | A | 36.7 | Very low | 37.9 | Very low | 78 Ų | 78 | 137 Ų | 137 | 65% | 0.645 | 78% | 0.777 | S | S | * | * | trans | -67.4 | 125.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 204 | S | 36.4 | Very low | 37.9 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 88% | 0.881 | 78% | 0.777 | S | S | * | * | trans | -86.5 | 103.1 | 162.6 | -66.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 205 | T | 34.2 | Very low | 37.8 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | trans | -130.8 | 97.4 | 163.1 | 46 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 206 | Y | 34.3 | Very low | 37.5 | Very low | 245 Ų | 245 | 142 Ų | 142 | 96% | 0.961 | 79% | 0.786 | S | S | * | * | trans | -103.2 | 115.6 | 160.1 | -109.5 | -88.7 | 0 | 0 | 0 | 107.4 | ||||
| 207 | S | 35.9 | Very low | 37.4 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | trans | -108.5 | 132 | 170.9 | 51.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 208 | M | 38.2 | Very low | 37.4 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | trans | -156.9 | 118.2 | 148.5 | -88.3 | -54.8 | 109.6 | 0 | 0 | 110.5 | ||||
| 209 | S | 38.5 | Very low | 37.2 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 64.9 | 135.8 | 148.6 | -48.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 210 | P | 52 | Low | 37.3 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | -136.9 | 166.6 | 91.8 | 38 | -25 | 0 | 0 | 0 | 114.7 | |||||
| 211 | A | 33.8 | Very low | 37 | Very low | 60 Ų | 60 | 133.6 Ų | 133.6 | 50% | 0.496 | 79% | 0.786 | S | S | . | * | trans | -99.2 | 168.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 212 | Y | 33.5 | Very low | 37 | Very low | 219 Ų | 219 | 134.4 Ų | 134.4 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | 81 | 103.6 | 162.3 | -33.6 | -73.9 | 0 | 0 | 0 | 118.1 | ||||
| 213 | T | 41 | Very low | 36.8 | Very low | 149 Ų | 149 | 136 Ų | 136 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | -170.2 | 136 | 117.9 | 29.5 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 214 | Q | 36.9 | Very low | 37.2 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -88.2 | 145 | 179.8 | -74.4 | -157.8 | 84.8 | 0 | 0 | 111.8 | ||||
| 215 | Q | 34.4 | Very low | 37.4 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | 170.3 | 126.5 | 113.9 | -97.4 | 178.7 | -9.3 | 0 | 0 | 112.9 | |||||
| 216 | T | 32.6 | Very low | 37.5 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 72% | 0.718 | 81% | 0.807 | S | S | * | * | trans | 48.3 | 134.3 | 134.9 | 64.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 217 | T | 33.6 | Very low | 37.8 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | cis | -174.1 | 146.9 | 20.9 | 28.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 218 | S | 37.9 | Very low | 38.3 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | 45.2 | 148.4 | 140.2 | -38.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 219 | A | 37 | Very low | 38.3 | Very low | 85 Ų | 85 | 133 Ų | 133 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | cis | 177.6 | 158.5 | -15.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 220 | M | 38.9 | Very low | 38.4 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 98% | 0.975 | 82% | 0.816 | S | S | * | * | trans | 75.4 | 147 | 162.1 | -42.9 | -102.5 | -125.4 | 0 | 0 | 116.3 | ||||
| 221 | G | 33.8 | Very low | 37.8 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | cis | 160.6 | 135.8 | 6.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 222 | L | 39.3 | Very low | 37.9 | Very low | 170 Ų | 170 | 143 Ų | 143 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | trans | -4.4 | 139 | 163.8 | -58.2 | 158.9 | 0 | 0 | 0 | 120 | ||||
| 223 | S | 34.9 | Very low | 38.9 | Very low | 124 Ų | 124 | 138 Ų | 138 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | 163.1 | 149.8 | 111.4 | -69.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 224 | S | 43.8 | Very low | 38.8 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -74.3 | 145.2 | 179.5 | 177.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 225 | M | 40.4 | Very low | 39.2 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | 173.3 | 132.6 | 136 | 54.2 | -171.3 | 175.1 | 0 | 0 | 112.4 | ||||
| 226 | A | 36.4 | Very low | 40.2 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | 153.2 | 106.8 | 128.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 227 | S | 40.2 | Very low | 41.3 | Very low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -97 | 136.6 | 157.7 | 171.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 228 | V | 47.4 | Very low | 42.2 | Very low | 145 Ų | 145 | 130.2 Ų | 130.2 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -152.4 | 126.1 | 153.9 | -102.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 229 | C | 37.1 | Very low | 42.1 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | -76.1 | 154.1 | -173.1 | -41.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 230 | K | 40.6 | Very low | 42.3 | Very low | 215 Ų | 215 | 133 Ų | 133 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | trans | -147.6 | 125.1 | 154.7 | -159.1 | 163.6 | 171.4 | 177.5 | 0 | 110.6 | ||||
| 231 | T | 39.4 | Very low | 42.3 | Very low | 126 Ų | 126 | 130 Ų | 130 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -110.8 | 144.7 | -171 | 29.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 232 | E | 37.5 | Very low | 42.8 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 65.1 | 162.1 | 149.6 | -96.2 | -151.7 | 89 | 0 | 0 | 123 | ||||
| 233 | P | 52.8 | Low | 43 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | cis | -129.6 | 166.7 | 11.4 | 34.9 | -14 | 0 | 0 | 0 | 118.9 | ||||
| 234 | S | 38.9 | Very low | 43.1 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -84.5 | 150.6 | 177.3 | 178 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 235 | S | 46.3 | Very low | 42.9 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -150.7 | 141.4 | 155.2 | -76.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 236 | P | 56.1 | Low | 42.9 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 159.1 | -164.1 | 38.6 | -33.5 | 0 | 0 | 0 | 113.6 | ||
| 237 | P | 55.3 | Low | 43.3 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 145.4 | 159.7 | 34.4 | -28.2 | 0 | 0 | 0 | 111.9 | ||
| 238 | P | 52.6 | Low | 43.5 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 150.7 | 178.7 | 34.4 | -32.4 | 0 | 0 | 0 | 114 | ||
| 239 | A | 34.4 | Very low | 43.5 | Very low | 88 Ų | 88 | 137.1 Ų | 137.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 58.1 | 99 | 145.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | T241 | A239-T241 PolarHBondContact O-N 3.47Š| ||
| 240 | I | 41.8 | Very low | 44.3 | Very low | 173 Ų | 173 | 135.1 Ų | 135.1 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -9.5 | 114.8 | 133.6 | 48.1 | 169.5 | 0 | 0 | 0 | 115.7 | ||||
| 241 | T | 39.6 | Very low | 45.4 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | trans | -120.5 | 125.6 | 150.8 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | A239 H243 | A239-T241 PolarHBondContact O-N 3.47Å; T241-H243 PolarHBondContact O-N 2.97Å | ||
| 242 | S | 44.3 | Very low | 46.8 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -67.7 | 114.4 | -175.5 | -57 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 243 | H | 42.4 | Very low | 48 | Very low | 190 Ų | 190 | 129.6 Ų | 129.6 | 88% | 0.88 | 76% | 0.759 | S | S | * | * | trans | -135.1 | 96.9 | 145.7 | -100 | -49.2 | 0 | 0 | 0 | 110.1 | T241 Q245 | T241-H243 PolarHBondContact O-N 2.97Å; H243-Q245 PolarHBondContact O-N 3.15Å | ||
| 244 | S | 37.2 | Very low | 48.6 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -46.8 | 126.3 | 163.3 | -74 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 245 | Q | 41.2 | Very low | 50.4 | Low | 183 Ų | 183 | 130.6 Ų | 130.6 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | 30 | 107.9 | 128.9 | -55.3 | -170.1 | 22.9 | 0 | 0 | 116.9 | H243 | H243-Q245 PolarHBondContact O-N 3.15Š| |||
| 246 | R | 40.4 | Very low | 51.2 | Low | 232 Ų | 232 | 129.5 Ų | 129.5 | 88% | 0.875 | 73% | 0.731 | S | S | * | * | -164.2 | 101 | 119.2 | -119.5 | 174.8 | 171.4 | 158.6 | -2.3 | 111.4 | |||||
| 247 | A | 43.3 | Very low | 51.7 | Low | 84 Ų | 84 | 127.8 Ų | 127.8 | 69% | 0.694 | 72% | 0.722 | S | S | * | * | trans | -67.2 | 152.6 | 141.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 248 | C | 45.4 | Very low | 52.6 | Low | 106 Ų | 106 | 129.5 Ų | 129.5 | 72% | 0.716 | 72% | 0.722 | S | S | * | * | trans | 75.5 | 96.5 | 164.6 | -39.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 249 | L | 47.1 | Very low | 53.2 | Low | 160 Ų | 160 | 132.6 Ų | 132.6 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | 177 | 126.4 | 111.1 | -83.6 | 176.5 | 0 | 0 | 0 | 105.1 | D251 | L249-D251 PolarHBondContact O-N 2.83Š| |||
| 250 | G | 53.4 | Low | 54.8 | Low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 71% | 0.713 | S | S | * | * | trans | -53 | 117.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | L252 | G250-L252 PolarHBondContact O-N 3.34Å; G250-L252 VanDerWaalsContact O-N 3.12Å | ||
| 251 | D | 64.6 | Low | 55.7 | Low | 96 Ų | 96 | 131.5 Ų | 131.5 | 51% | 0.513 | 71% | 0.708 | S | S | . | * | trans | -59 | 120.6 | 175.5 | -173.5 | 0.1 | 0 | 0 | 0 | 106.8 | L249 R253 D254 M255 | L249-D251 PolarHBondContact O-N 2.83Å; D251-R253 PolarHBondContact O-N 3.08Å; D251-R253 WeakPolarHBondContact OD1-CB 3.5Å; D251-R253 PolarHBondContact OD1-N 3.39Å; D251-D254 PolarHBondContact O-N 3.18Å; D251-M255 PolarHBondContact O-N 3.24Å; D251-M255 VanDerWaalsContact O-N 3.17Å | ||
| 252 | L | 67.6 | Low | 56.6 | Low | 107 Ų | 107 | 131.3 Ų | 131.3 | 56% | 0.56 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -55.5 | -25.2 | 179.5 | -177.3 | 60.3 | 0 | 0 | 0 | 110.4 | G250 M255 I256 | G250-L252 PolarHBondContact O-N 3.34Å; G250-L252 VanDerWaalsContact O-N 3.12Å; L252-M255 HydrophobicContact CD1-CE 3.28Å; L252-M255 PolarHBondContact O-N 3.08Å; L252-I256 HydrophobicContact CD1-CD1 4.15Å; L252-I256 HydrophobicContact CD1-CG1 4.34Å; L252-I256 HydrophobicContact CD2-CD1 4.49Å; L252-I256 HydrophobicContact CG-CD1 3.82Å; L252-I256 HydrophobicContact CG-CG1 4.44Å; L252-I256 WeakPolarHBondContact O-CB 3.45Å; L252-I256 WeakPolarHBondContact O-CD1 3.26Å; L252-I256 WeakPolarHBondContact O-CG1 3.5Å; L252-I256 PolarHBondContact O-N 3.25Å |
| 253 | R | 63.3 | Low | 56.4 | Low | 193 Ų | 193 | 130 Ų | 130 | 73% | 0.728 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -66.1 | -39.9 | 174.8 | -131.5 | 162.4 | -175.2 | -114.9 | -2.1 | 113.6 | D251 S257 | D251-R253 PolarHBondContact O-N 3.08Å; D251-R253 WeakPolarHBondContact OD1-CB 3.5Å; D251-R253 PolarHBondContact OD1-N 3.39Å; R253-S257 WeakPolarHBondContact O-CB 3.17Å; R253-S257 PolarHBondContact O-N 3.44Å; R253-S257 VanDerWaalsContact O-N 3.13Å; R253-S257 PolarHBondContact O-OG 3.19Å |
| 254 | D | 66.1 | Low | 56.1 | Low | 123 Ų | 123 | 124.7 Ų | 124.7 | 66% | 0.658 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -72.9 | -35.6 | 174.5 | -107.1 | 2.8 | 0 | 0 | 0 | 111.3 | D251 S257 M258 | D251-D254 PolarHBondContact O-N 3.18Å; D254-S257 PolarHBondContact O-N 3.26Å; D254-M258 PolarHBondContact O-N 3.14Å |
| 255 | M | 76.9 | Confident | 56.4 | Low | 113 Ų | 113 | 127.1 Ų | 127.1 | 56% | 0.557 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -69 | -36.1 | 177.8 | -170.4 | 166.6 | 52 | 0 | 0 | 112.5 | D251 L252 Y259 | D251-M255 PolarHBondContact O-N 3.24Å; D251-M255 VanDerWaalsContact O-N 3.17Å; L252-M255 HydrophobicContact CD1-CE 3.28Å; L252-M255 PolarHBondContact O-N 3.08Å; M255-Y259 WeakPolarHBondContact O-CD2 3.22Å |
| 256 | I | 61.9 | Low | 56.2 | Low | 91 Ų | 91 | 123.9 Ų | 123.9 | 47% | 0.467 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -75.7 | -34.4 | 176.3 | -67.5 | 166.3 | 0 | 0 | 0 | 111.2 | L252 M258 Y259 L260 | L252-I256 HydrophobicContact CD1-CD1 4.15Å; L252-I256 HydrophobicContact CD1-CG1 4.34Å; L252-I256 HydrophobicContact CD2-CD1 4.49Å; L252-I256 HydrophobicContact CG-CD1 3.82Å; L252-I256 HydrophobicContact CG-CG1 4.44Å; L252-I256 WeakPolarHBondContact O-CB 3.45Å; L252-I256 WeakPolarHBondContact O-CD1 3.26Å; L252-I256 WeakPolarHBondContact O-CG1 3.5Å; L252-I256 PolarHBondContact O-N 3.25Å; I256-M258 PolarHBondContact O-N 3.03Å; I256-Y259 PolarHBondContact O-N 3.25Å; I256-Y259 VanDerWaalsContact O-N 3.09Å; I256-L260 HydrophobicContact CG2-CD1 4.43Å; I256-L260 PolarHBondContact O-N 3Å |
| 257 | S | 67.8 | Low | 56.3 | Low | 78 Ų | 78 | 117.2 Ų | 117.2 | 55% | 0.545 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -66.8 | -22 | -179.2 | -60.7 | 0 | 0 | 0 | 0 | 113.7 | R253 D254 Y259 | R253-S257 WeakPolarHBondContact O-CB 3.17Å; R253-S257 PolarHBondContact O-N 3.44Å; R253-S257 VanDerWaalsContact O-N 3.13Å; R253-S257 PolarHBondContact O-OG 3.19Å; D254-S257 PolarHBondContact O-N 3.26Å; S257-Y259 VanDerWaalsContact C-N 3.3Å; S257-Y259 PolarHBondContact O-N 3.28Å |
| 258 | M | 73 | Confident | 55.8 | Low | 157 Ų | 157 | 121.7 Ų | 121.7 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -21.2 | 172.2 | -77.1 | -120.8 | -55.2 | 0 | 0 | 114.4 | D254 I256 | D254-M258 PolarHBondContact O-N 3.14Å; I256-M258 PolarHBondContact O-N 3.03Å |
| 259 | Y | 65.1 | Low | 55.6 | Low | 190 Ų | 190 | 125.5 Ų | 125.5 | 75% | 0.745 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -2.7 | -175.7 | -69.8 | -83.1 | 0 | 0 | 0 | 113.6 | M255 I256 S257 | M255-Y259 WeakPolarHBondContact O-CD2 3.22Å; I256-Y259 PolarHBondContact O-N 3.25Å; I256-Y259 VanDerWaalsContact O-N 3.09Å; S257-Y259 VanDerWaalsContact C-N 3.3Å; S257-Y259 PolarHBondContact O-N 3.28Å |
| 260 | L | 67.6 | Low | 54.9 | Low | 118 Ų | 118 | 123 Ų | 123 | 62% | 0.618 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -99.8 | 124.8 | 168.8 | -100.2 | 66.4 | 0 | 0 | 0 | 109.5 | I256 | I256-L260 HydrophobicContact CG2-CD1 4.43Å; I256-L260 PolarHBondContact O-N 3Å |
| 261 | P | 62.4 | Low | 54 | Low | 120 Ų | 120 | 124.1 Ų | 124.1 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 138.6 | 176.8 | 23.6 | -30.2 | 0 | 0 | 0 | 110.7 | G263 | P261-G263 PolarHBondContact O-N 3.2Š|
| 262 | P | 57.7 | Low | 52.8 | Low | 131 Ų | 131 | 126.6 Ų | 126.6 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -79 | 125.5 | -177 | 31.2 | -31.1 | 0 | 0 | 0 | 110.1 | ||
| 263 | G | 40.9 | Very low | 51.5 | Low | 79 Ų | 79 | 130.1 Ų | 130.1 | 81% | 0.814 | 74% | 0.737 | S | S | * | * | trans | 98 | 108.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | P261 | P261-G263 PolarHBondContact O-N 3.2Š| ||
| 264 | G | 34.8 | Very low | 50.3 | Low | 77 Ų | 77 | 126.1 Ų | 126.1 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | trans | -159.2 | 53.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | S266 | G264-S266 PolarHBondContact O-N 3.37Š| ||
| 265 | D | 43.2 | Very low | 49.2 | Very low | 157 Ų | 157 | 125.1 Ų | 125.1 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | trans | -72 | 112.1 | 168.4 | -55 | -34.3 | 0 | 0 | 0 | 107.6 | ||||
| 266 | S | 37.7 | Very low | 47.2 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | 162 | 119.4 | 137.4 | -72.7 | 0 | 0 | 0 | 0 | 111 | G264 | G264-S266 PolarHBondContact O-N 3.37Š| ||
| 267 | A | 42.7 | Very low | 46.3 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 43.5 | 111.5 | 138 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 268 | E | 33.4 | Very low | 44.8 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | 171.1 | 108.4 | 116.5 | -91.6 | -84.8 | 131.2 | 0 | 0 | 108.8 | |||||
| 269 | H | 39.5 | Very low | 42.9 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -68.1 | 122.5 | 154.9 | -90.7 | -105 | 0 | 0 | 0 | 107.2 | ||||
| 270 | S | 32.8 | Very low | 41.9 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 176.5 | 132.4 | 135 | -83.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 271 | S | 34.5 | Very low | 40.5 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | 92.3 | 110.3 | 137.3 | 75.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 272 | L | 39.8 | Very low | 40.1 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | 76.8 | 105.1 | 133.2 | -56.9 | 166.8 | 0 | 0 | 0 | 117.2 | ||||
| 273 | Q | 41.2 | Very low | 39 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | 56 | 95.5 | 73.6 | -161.5 | -176.4 | 49.7 | 0 | 0 | 112.2 | |||||
| 274 | S | 36.4 | Very low | 38.7 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | -175.8 | 117.6 | 125 | -149.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 275 | S | 43.4 | Very low | 38.8 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -46.9 | 136.5 | 150.2 | 46 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 276 | R | 34.8 | Very low | 38.4 | Very low | 249 Ų | 249 | 142.4 Ų | 142.4 | 94% | 0.94 | 77% | 0.766 | S | S | * | * | trans | -173.8 | 129.6 | 133.1 | -107.2 | 166.9 | -166.5 | -134.1 | 3 | 113.7 | ||||
| 277 | L | 42.9 | Very low | 38.4 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -62.2 | 157.4 | 160.6 | -66.1 | 162.5 | 0 | 0 | 0 | 111.6 | ||||
| 278 | H | 37.3 | Very low | 38.1 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | 115.1 | 126.4 | 149.9 | -62 | 94.1 | 0 | 0 | 0 | 117.6 | ||||
| 279 | S | 32.5 | Very low | 38.5 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | 117.8 | 128.4 | 124.3 | -151.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 280 | V | 44.3 | Very low | 38.5 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -77.2 | 164 | 173.3 | -164.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 281 | H | 39 | Very low | 39.1 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | trans | 91.6 | 159 | 163.8 | -87.3 | 69.2 | 0 | 0 | 0 | 118.1 | ||||
| 282 | P | 52.5 | Low | 39.4 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | cis | -142.8 | -177.2 | -47.9 | 38 | -19.1 | 0 | 0 | 0 | 114.3 | ||||
| 283 | H | 34.8 | Very low | 39.6 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | 71.3 | 129.5 | 151.2 | -110.9 | -72.4 | 0 | 0 | 0 | 118.8 | ||||
| 284 | Y | 35.3 | Very low | 40.2 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | -158.7 | 139.2 | 60.2 | -106 | -100.5 | 0 | 0 | 0 | 114 | |||||
| 285 | Q | 37.8 | Very low | 41.2 | Very low | 141 Ų | 141 | 134 Ų | 134 | 66% | 0.659 | 77% | 0.77 | S | S | * | * | trans | 34.9 | 145.8 | 130.1 | -69.5 | -175.4 | 29.8 | 0 | 0 | 120.1 | ||||
| 286 | T | 33.6 | Very low | 41.7 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | cis | -178.7 | 166.5 | 11.7 | -102.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 287 | A | 37.6 | Very low | 42.3 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | 99.2 | 122.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 288 | G | 35.8 | Very low | 43.1 | Very low | 60 Ų | 60 | 130.7 Ų | 130.7 | 62% | 0.619 | 78% | 0.775 | S | S | * | * | cis | 158.6 | 147.4 | 6.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 289 | T | 42.8 | Very low | 43.6 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 96% | 0.963 | 78% | 0.776 | S | S | * | * | trans | 75.1 | 130.7 | 177.8 | 79.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 290 | G | 38.5 | Very low | 44.5 | Very low | 65 Ų | 65 | 136.9 Ų | 136.9 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | cis | -179.4 | 157.7 | -1.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 291 | V | 45.9 | Very low | 44.5 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | 75.6 | 96.5 | 157.2 | -56.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 292 | N | 41.4 | Very low | 44.7 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | 67.2 | 93.9 | 131.8 | -67.3 | -62.6 | 0 | 0 | 0 | 120.3 | ||||
| 293 | G | 42.8 | Very low | 44.3 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -118.9 | 120.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 294 | T | 54.4 | Low | 44.9 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -124 | 103.9 | 167.4 | -52.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 295 | L | 57.3 | Low | 45.5 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | trans | 10.8 | 137.6 | 152 | -52.8 | 171.4 | 0 | 0 | 0 | 120.7 | ||||
| 296 | P | 53.7 | Low | 46 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | -92.3 | 122.9 | 156.9 | 33.8 | -26.4 | 0 | 0 | 0 | 111.3 | ||||
| 297 | L | 49 | Very low | 46.9 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 82% | 0.822 | 84% | 0.842 | S | S | * | * | trans | -136.7 | 120.6 | 169.2 | -171 | 74.4 | 0 | 0 | 0 | 107.9 | ||||
| 298 | T | 58.4 | Low | 47.6 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 83% | 0.828 | 84% | 0.841 | S | S | * | * | 171.9 | 110.8 | 128.3 | 49.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 299 | H | 48 | Very low | 48.6 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 87% | 0.866 | 86% | 0.86 | S | S | * | * | trans | -81.1 | 134.9 | 142.1 | -94.4 | -77.8 | 0 | 0 | 0 | 107.4 | ||||
| 300 | I | 50.5 | Low | 49.1 | Very low | 242 Ų | 242 | 143.1 Ų | 143.1 | 100% | 1.241 | 85% | 0.851 | S | S | * | * | trans | -160.8 | 0 | 131.5 | -84.6 | 146.1 | 0 | 0 | 0 | 105.6 |
Retrieved 300 of 300 residues in 217.2 ms
(Link to these results)