| 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 | 30.8 | Very low | 32.7 | Very low | 243 Ų | 243 | 170.5 Ų | 170.5 | 100% | 1.197 | 88% | 0.881 | S | S | * | * | 0 | 125.7 | 0 | -76.6 | -176.7 | 175.7 | 0 | 0 | 107.5 | |||||
| 2 | A | 32.7 | Very low | 32.3 | Very low | 99 Ų | 99 | 162.6 Ų | 162.6 | 82% | 0.818 | 87% | 0.873 | S | S | * | * | trans | 66.9 | 136.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 3 | K | 32.5 | Very low | 32.5 | Very low | 200 Ų | 200 | 163.8 Ų | 163.8 | 87% | 0.87 | 88% | 0.878 | S | S | * | * | cis | -159.7 | 132.3 | -14.9 | -104.4 | 178.7 | 179 | -178.6 | 0 | 103.4 | ||||
| 4 | G | 27.9 | Very low | 32.5 | Very low | 78 Ų | 78 | 162.9 Ų | 162.9 | 80% | 0.804 | 87% | 0.873 | S | S | * | * | trans | -64.1 | 135.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E6 | G4-E6 PolarHBondContact O-N 3.1Š| ||
| 5 | F | 34.6 | Very low | 32.5 | Very low | 211 Ų | 211 | 159.5 Ų | 159.5 | 93% | 0.925 | 87% | 0.867 | S | S | * | * | trans | -81 | 105.3 | 170.4 | -121 | -99.9 | 0 | 0 | 0 | 107.5 | ||||
| 6 | E | 30 | Very low | 32.5 | Very low | 174 Ų | 174 | 161.6 Ų | 161.6 | 81% | 0.813 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 133.1 | 164.6 | -78.6 | 170.5 | 111.1 | 0 | 0 | 109 | G4 T8 | G4-E6 PolarHBondContact O-N 3.1Å; E6-T8 PolarHBondContact O-N 2.72Å |
| 7 | P | 36.3 | Very low | 32.6 | Very low | 123 Ų | 123 | 163.2 Ų | 163.2 | 80% | 0.799 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 121 | 167.4 | 28.9 | -29.7 | 0 | 0 | 0 | 108.4 | Q9 | P7-Q9 PolarHBondContact O-N 3.33Š|
| 8 | T | 33.6 | Very low | 32.9 | Very low | 132 Ų | 132 | 160.9 Ų | 160.9 | 81% | 0.81 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 118.4 | 175.1 | 7.4 | 0 | 0 | 0 | 0 | 111.4 | E6 H10 | E6-T8 PolarHBondContact O-N 2.72Å; T8-H10 PolarHBondContact O-N 2.84Å |
| 9 | Q | 30.3 | Very low | 32.9 | Very low | 187 Ų | 187 | 159.3 Ų | 159.3 | 87% | 0.874 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 117 | 163.5 | -73.9 | 179.4 | -8.4 | 0 | 0 | 109.3 | P7 R11 | P7-Q9 PolarHBondContact O-N 3.33Å; Q9-R11 PolarHBondContact O-N 2.86Å |
| 10 | H | 37.3 | Very low | 33.2 | Very low | 191 Ų | 191 | 157.2 Ų | 157.2 | 88% | 0.884 | 85% | 0.849 | S | S | * | * | trans | -67 | 102.3 | 161.2 | -91.2 | -78.7 | 0 | 0 | 0 | 108.4 | T8 G12 | T8-H10 PolarHBondContact O-N 2.84Å; H10-G12 PolarHBondContact O-N 3.2Å | ||
| 11 | R | 33.2 | Very low | 33.5 | Very low | 237 Ų | 237 | 153.9 Ų | 153.9 | 89% | 0.894 | 84% | 0.837 | S | S | * | * | trans | -46.3 | 132.2 | 162.1 | -101.6 | 178.3 | 176.5 | 168.7 | -0.5 | 109.6 | Q9 L13 | Q9-R11 PolarHBondContact O-N 2.86Å; R11-L13 PolarHBondContact O-N 3.11Å | ||
| 12 | G | 27.9 | Very low | 34 | Very low | 76 Ų | 76 | 147.2 Ų | 147.2 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | -50.1 | 125.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H10 N14 | H10-G12 PolarHBondContact O-N 3.2Å; G12-N14 PolarHBondContact O-N 2.84Å | ||
| 13 | L | 35.4 | Very low | 34.2 | Very low | 179 Ų | 179 | 150.7 Ų | 150.7 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | trans | -73.7 | 107.7 | 151.4 | -92.5 | 134.6 | 0 | 0 | 0 | 106.9 | R11 S15 | R11-L13 PolarHBondContact O-N 3.11Å; L13-S15 PolarHBondContact O-N 3.47Å | ||
| 14 | N | 31.8 | Very low | 34.5 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -48.9 | 134.5 | 169.4 | -107.3 | -37.1 | 0 | 0 | 0 | 110.2 | G12 K16 | G12-N14 PolarHBondContact O-N 2.84Å; N14-K16 PolarHBondContact O-N 2.73Å | ||
| 15 | S | 32.6 | Very low | 35.3 | Very low | 112 Ų | 112 | 148.5 Ų | 148.5 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -51.8 | 102.2 | 161.3 | -180 | 0 | 0 | 0 | 0 | 109.6 | L13 | L13-S15 PolarHBondContact O-N 3.47Š|
| 16 | K | 32.7 | Very low | 35.6 | Very low | 192 Ų | 192 | 146.7 Ų | 146.7 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 177 | 135.5 | 155.3 | -94.2 | 152.8 | -169.6 | -171.6 | 0 | 107.1 | N14 | N14-K16 PolarHBondContact O-N 2.73Š| ||
| 17 | E | 33.9 | Very low | 36.3 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | 90.2 | 86.6 | 176.3 | -51.3 | -176.6 | 150.4 | 0 | 0 | 117 | ||||
| 18 | V | 37.8 | Very low | 36.6 | Very low | 121 Ų | 121 | 153.9 Ų | 153.9 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | -150.4 | 72.4 | 117.6 | -170.1 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 19 | T | 34.6 | Very low | 37.3 | Very low | 130 Ų | 130 | 156.3 Ų | 156.3 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | -99.1 | 76.8 | 151.4 | -51.6 | 0 | 0 | 0 | 0 | 106.1 | C21 | T19-C21 VanDerWaalsContact C-N 3.31Å; T19-C21 PolarHBondContact O-N 3.28Å | ||
| 20 | T | 39.1 | Very low | 37.9 | Very low | 117 Ų | 117 | 158.6 Ų | 158.6 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | trans | -71.7 | 97.5 | 165.3 | -53 | 0 | 0 | 0 | 0 | 106.7 | C22 | T20-C22 PolarHBondContact O-N 3.35Š| ||
| 21 | C | 37.6 | Very low | 38.2 | Very low | 89 Ų | 89 | 154.3 Ų | 154.3 | 60% | 0.601 | 80% | 0.801 | S | S | * | * | trans | -53.2 | 118.7 | 169.7 | -71.8 | 0 | 0 | 0 | 0 | 109.4 | T19 L23 | T19-C21 VanDerWaalsContact C-N 3.31Å; T19-C21 PolarHBondContact O-N 3.28Å; C21-L23 HydrophobicContact CB-CG 4.17Å; C21-L23 PolarHBondContact O-N 3Å | ||
| 22 | C | 42.8 | Very low | 39.3 | Very low | 103 Ų | 103 | 149 Ų | 149 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | trans | -67 | 80.4 | 159.8 | -64.9 | 0 | 0 | 0 | 0 | 108.6 | T20 G24 | T20-C22 PolarHBondContact O-N 3.35Å; C22-G24 VanDerWaalsContact C-N 3.28Å; C22-G24 PolarHBondContact O-N 2.99Å | ||
| 23 | L | 36.5 | Very low | 40.9 | Very low | 172 Ų | 172 | 149.6 Ų | 149.6 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | -88.6 | 77.7 | 160.3 | -68.8 | 176.5 | 0 | 0 | 0 | 107.3 | C21 | C21-L23 HydrophobicContact CB-CG 4.17Å; C21-L23 PolarHBondContact O-N 3Å | ||
| 24 | G | 39.5 | Very low | 42.9 | Very low | 57 Ų | 57 | 152.3 Ų | 152.3 | 59% | 0.588 | 79% | 0.79 | S | S | * | * | trans | -144.3 | 106.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | C22 E26 | C22-G24 VanDerWaalsContact C-N 3.28Å; C22-G24 PolarHBondContact O-N 2.99Å; G24-E26 PolarHBondContact O-N 3.48Å | ||
| 25 | I | 43.3 | Very low | 45.5 | Very low | 174 Ų | 174 | 150.9 Ų | 150.9 | 89% | 0.892 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -58.3 | 127.6 | 171 | -60.4 | 169.9 | 0 | 0 | 0 | 106.2 | ||
| 26 | E | 42.1 | Very low | 48.4 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 93.2 | 119.9 | -176.9 | -55.2 | -171.3 | 147.2 | 0 | 0 | 117.7 | G24 | G24-E26 PolarHBondContact O-N 3.48Š|
| 27 | K | 43.9 | Very low | 51.3 | Low | 188 Ų | 188 | 141 Ų | 141 | 82% | 0.817 | 73% | 0.731 | S | S | * | * | trans | 90.6 | 98.5 | 172.8 | -55.9 | -177.1 | -177.7 | 176.8 | 0 | 116 | K29 | K27-K29 PolarHBondContact O-N 2.84Š| ||
| 28 | R | 42.9 | Very low | 54.2 | Low | 260 Ų | 260 | 134 Ų | 134 | 98% | 0.981 | 71% | 0.706 | S | S | * | * | trans | -54.3 | 82.6 | 156.9 | -78.5 | 179.9 | 173.7 | -173.4 | -2 | 110.3 | ||||
| 29 | K | 47.3 | Very low | 56.9 | Low | 184 Ų | 184 | 133.5 Ų | 133.5 | 80% | 0.8 | 70% | 0.695 | S | S | * | * | trans | -96 | 109.9 | 153.5 | -78.5 | -172.5 | 176.9 | -177.4 | 0 | 106.5 | K27 C31 | K27-K29 PolarHBondContact O-N 2.84Å; K29-C31 PolarHBondContact O-N 3.06Å; K29-C31 VanDerWaalsContact O-N 3.08Å | ||
| 30 | R | 44 | Very low | 59.8 | Low | 235 Ų | 235 | 129.4 Ų | 129.4 | 89% | 0.887 | 67% | 0.668 | S | S | * | * | trans | -54.9 | 113 | 177.1 | -161 | 177.3 | -73.2 | -177.4 | -3.1 | 107.2 | V32 | R30-V32 PolarHBondContact O-N 2.98Š| ||
| 31 | C | 44.1 | Very low | 62.5 | Low | 101 Ų | 101 | 123.8 Ų | 123.8 | 68% | 0.682 | 63% | 0.634 | S | S | * | * | trans | -65.2 | 101.6 | 171.2 | -70.4 | 0 | 0 | 0 | 0 | 106.8 | K29 A33 | K29-C31 PolarHBondContact O-N 3.06Å; K29-C31 VanDerWaalsContact O-N 3.08Å; C31-A33 PolarHBondContact O-N 3.26Å | ||
| 32 | V | 55.5 | Low | 65.2 | Low | 126 Ų | 126 | 123.9 Ų | 123.9 | 76% | 0.764 | 63% | 0.625 | S | S | * | * | trans | -69.2 | 115.2 | 168.7 | -178.7 | 0 | 0 | 0 | 0 | 105.3 | R30 R34 | R30-V32 PolarHBondContact O-N 2.98Å; V32-R34 PolarHBondContact O-N 3.41Å | ||
| 33 | A | 62.2 | Low | 67.5 | Low | 87 Ų | 87 | 120 Ų | 120 | 72% | 0.719 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 124 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | C31 K35 | C31-A33 PolarHBondContact O-N 3.26Å; A33-K35 PolarHBondContact O-N 3.01Å |
| 34 | R | 76.6 | Confident | 70 | Confident | 236 Ų | 236 | 116.2 Ų | 116.2 | 89% | 0.891 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 120.4 | 176 | -71.2 | -174.6 | 175.9 | -173.8 | -0.8 | 107.4 | V32 | V32-R34 PolarHBondContact O-N 3.41Š|
| 35 | K | 86.1 | Confident | 72.5 | Confident | 122 Ų | 122 | 116.3 Ų | 116.3 | 53% | 0.53 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 137.5 | 172.7 | -68.4 | -175.5 | 177.7 | -172.5 | 0 | 109.3 | A33 E39 L40 T43 | A33-K35 PolarHBondContact O-N 3.01Å; K35-E39 HydrophobicContact CB-CB 4.07Å; K35-E39 HydrophobicContact CG-CB 4.49Å; K35-L40 HydrophobicContact CB-CD2 3.83Å; K35-L40 HydrophobicContact CB-CG 3.93Å; K35-L40 HydrophobicContact CD-CD2 4.05Å; K35-T43 HydrophobicContact CD-CG2 4.5Å |
| 36 | S | 93.6 | Very high | 74.9 | Confident | 47 Ų | 47 | 108 Ų | 108 | 33% | 0.329 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 158.3 | 170.1 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | A38 E39 L40 | S36-A38 PolarHBondContact O-N 2.03Å; S36-E39 WeakPolarHBondContact CB-OE2 3.41Å; S36-E39 PolarHBondContact N-OE2 2.86Å; S36-E39 PolarHBondContact O-N 3.1Å; S36-E39 VanDerWaalsContact O-N 3.08Å; S36-E39 VanDerWaalsContact OG-CG 3.25Å; S36-E39 WeakPolarHBondContact OG-CG 3.26Å; S36-E39 PolarHBondContact OG-N 3.34Å; S36-E39 PolarHBondContact OG-OE2 2.91Å; S36-L40 WeakPolarHBondContact O-CG 3.24Å; S36-L40 PolarHBondContact O-N 2.92Å |
| 37 | P | 93.2 | Very high | 77.3 | Confident | 49 Ų | 49 | 102.4 Ų | 102.4 | 32% | 0.318 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -50.2 | -41.7 | 173.2 | -31.9 | 38.8 | 0 | 0 | 0 | 113.5 | L40 C41 L76 | P37-L40 WeakPolarHBondContact O-CB 3.48Å; P37-L40 PolarHBondContact O-N 2.89Å; P37-C41 PolarHBondContact O-N 3.23Å; P37-C41 VanDerWaalsContact O-N 3.15Å; P37-C41 PolarHBondContact O-SG 2.89Å; P37-L76 HydrophobicContact CB-CD2 3.81Å |
| 38 | A | 95.1 | Very high | 79.6 | Confident | 44 Ų | 44 | 97.3 Ų | 97.3 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | S36 L40 C41 Q42 L76 | S36-A38 PolarHBondContact O-N 2.03Å; A38-L40 VanDerWaalsContact C-N 3.27Å; A38-L40 PolarHBondContact O-N 2.72Å; A38-C41 PolarHBondContact O-N 2.86Å; A38-Q42 WeakPolarHBondContact O-CG 3.11Å; A38-Q42 PolarHBondContact O-N 2.84Å; A38-L76 HydrophobicContact CB-CD1 3.76Å; A38-L76 HydrophobicContact CB-CG 4.23Å |
| 39 | E | 95.1 | Very high | 82 | Confident | 109 Ų | 109 | 86.6 Ų | 86.6 | 51% | 0.509 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.3 | -29.5 | 178.1 | -71.4 | 167.1 | 123.7 | 0 | 0 | 112.6 | K35 S36 Q42 T43 | K35-E39 HydrophobicContact CB-CB 4.07Å; K35-E39 HydrophobicContact CG-CB 4.49Å; S36-E39 WeakPolarHBondContact CB-OE2 3.41Å; S36-E39 PolarHBondContact N-OE2 2.86Å; S36-E39 PolarHBondContact O-N 3.1Å; S36-E39 VanDerWaalsContact O-N 3.08Å; S36-E39 VanDerWaalsContact OG-CG 3.25Å; S36-E39 WeakPolarHBondContact OG-CG 3.26Å; S36-E39 PolarHBondContact OG-N 3.34Å; S36-E39 PolarHBondContact OG-OE2 2.91Å; E39-Q42 PolarHBondContact O-N 3.47Å; E39-T43 WeakPolarHBondContact O-CG2 3.32Å |
| 40 | L | 95.1 | Very high | 84.4 | Confident | 44 Ų | 44 | 77.9 Ų | 77.9 | 23% | 0.23 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67 | -44.7 | 174.6 | -70.7 | 172.6 | 0 | 0 | 0 | 111.2 | K35 S36 P37 A38 Q42 T43 Q56 H57 | K35-L40 HydrophobicContact CB-CD2 3.83Å; K35-L40 HydrophobicContact CB-CG 3.93Å; K35-L40 HydrophobicContact CD-CD2 4.05Å; S36-L40 WeakPolarHBondContact O-CG 3.24Å; S36-L40 PolarHBondContact O-N 2.92Å; P37-L40 WeakPolarHBondContact O-CB 3.48Å; P37-L40 PolarHBondContact O-N 2.89Å; A38-L40 VanDerWaalsContact C-N 3.27Å; A38-L40 PolarHBondContact O-N 2.72Å; L40-Q42 PolarHBondContact O-N 3.47Å; L40-T43 WeakPolarHBondContact O-CG2 3.45Å; L40-T43 PolarHBondContact O-N 2.81Å; L40-T43 PolarHBondContact O-OG1 3.12Å; L40-T43 VanDerWaalsContact O-OG1 3.08Å; L40-Q56 HydrophobicContact CB-CB 4.17Å; L40-H57 HydrophobicContact CD1-CB 4.49Å |
| 41 | C | 96.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.3 | -23.2 | 176.3 | -49.6 | 0 | 0 | 0 | 0 | 112.9 | P37 A38 A46 Q47 C60 C74 | P37-C41 PolarHBondContact O-N 3.23Å; P37-C41 VanDerWaalsContact O-N 3.15Å; P37-C41 PolarHBondContact O-SG 2.89Å; A38-C41 PolarHBondContact O-N 2.86Å; C41-A46 WeakPolarHBondContact O-CB 3.33Å; C41-Q47 PolarHBondContact O-NE2 3.46Å; C41-C60 WeakPolarHBondContact CA-SG 3.28Å; C41-C60 HydrophobicContact CB-CB 4.05Å; C41-C60 WeakPolarHBondContact CB-SG 3.47Å; C41-C60 WeakPolarHBondContact SG-CA 3.02Å; C41-C60 WeakPolarHBondContact SG-CB 3.33Å; C41-C60 CovalentContact SG-SG 2.04Å; C41-C60 PolarHBondContact SG-SG 2.99Å; C41-C74 PolarHBondContact O-SG 2.73Å; C41-C74 VanDerWaalsContact O-SG 3.36Å |
| 42 | Q | 93.3 | Very high | 89.3 | Confident | 90 Ų | 90 | 65 Ų | 65 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 3.8 | 180 | -63.2 | -58 | -23.7 | 0 | 0 | 114.5 | A38 E39 L40 S72 C74 | A38-Q42 WeakPolarHBondContact O-CG 3.11Å; A38-Q42 PolarHBondContact O-N 2.84Å; E39-Q42 PolarHBondContact O-N 3.47Å; L40-Q42 PolarHBondContact O-N 3.47Å; Q42-S72 PolarHBondContact NE2-OG 2.71Å; Q42-S72 PolarHBondContact OE1-OG 3.3Å; Q42-C74 PolarHBondContact NE2-O 2.73Å |
| 43 | T | 92.3 | Very high | 91.3 | Very high | 23 Ų | 23 | 59 Ų | 59 | 14% | 0.141 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -67.6 | 151.4 | 177.4 | 63.5 | 0 | 0 | 0 | 0 | 111.7 | K35 E39 L40 S45 A46 Q47 | K35-T43 HydrophobicContact CD-CG2 4.5Å; E39-T43 WeakPolarHBondContact O-CG2 3.32Å; L40-T43 WeakPolarHBondContact O-CG2 3.45Å; L40-T43 PolarHBondContact O-N 2.81Å; L40-T43 PolarHBondContact O-OG1 3.12Å; L40-T43 VanDerWaalsContact O-OG1 3.08Å; T43-S45 PolarHBondContact O-N 2.77Å; T43-S45 VanDerWaalsContact O-N 3.13Å; T43-A46 WeakPolarHBondContact O-CA 3.5Å; T43-A46 WeakPolarHBondContact O-CB 3.32Å; T43-A46 PolarHBondContact O-N 3.5Å; T43-A46 WeakPolarHBondContact OG1-CB 3.33Å; T43-A46 PolarHBondContact OG1-N 2.93Å; T43-Q47 WeakPolarHBondContact O-CG 3.47Å; T43-Q47 PolarHBondContact O-N 2.94Å; T43-Q47 VanDerWaalsContact O-N 3.1Å |
| 44 | A | 89.5 | Confident | 92.9 | Very high | 92 Ų | 92 | 54.9 Ų | 54.9 | 76% | 0.76 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -34.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q47 S48 | A44-Q47 PolarHBondContact O-N 3Å; A44-S48 PolarHBondContact O-N 3.05Å |
| 45 | S | 92.1 | Very high | 93.8 | Very high | 59 Ų | 59 | 46.8 Ų | 46.8 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -40.5 | 173.3 | -170.5 | 0 | 0 | 0 | 0 | 111.9 | T43 Q47 S48 Q52 | T43-S45 PolarHBondContact O-N 2.77Å; T43-S45 VanDerWaalsContact O-N 3.13Å; S45-Q47 VanDerWaalsContact C-N 3.29Å; S45-Q47 PolarHBondContact O-N 2.83Å; S45-S48 PolarHBondContact O-N 3.35Å; S45-S48 PolarHBondContact O-OG 2.83Å; S45-Q52 WeakPolarHBondContact O-CB 3.35Å |
| 46 | A | 93.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -61.7 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C41 T43 S48 C53 Q56 | C41-A46 WeakPolarHBondContact O-CB 3.33Å; T43-A46 WeakPolarHBondContact O-CA 3.5Å; T43-A46 WeakPolarHBondContact O-CB 3.32Å; T43-A46 PolarHBondContact O-N 3.5Å; T43-A46 WeakPolarHBondContact OG1-CB 3.33Å; T43-A46 PolarHBondContact OG1-N 2.93Å; A46-S48 VanDerWaalsContact C-N 3.27Å; A46-S48 PolarHBondContact O-N 3.28Å; A46-C53 WeakPolarHBondContact O-CB 3.36Å; A46-C53 PolarHBondContact O-N 2.89Å; A46-Q56 HydrophobicContact CB-CG 3.52Å |
| 47 | Q | 91.6 | Very high | 94.2 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -77.1 | -10.2 | -176.1 | -61.2 | -57.7 | -37.8 | 0 | 0 | 113.6 | C41 T43 A44 S45 S72 C74 | C41-Q47 PolarHBondContact O-NE2 3.46Å; T43-Q47 WeakPolarHBondContact O-CG 3.47Å; T43-Q47 PolarHBondContact O-N 2.94Å; T43-Q47 VanDerWaalsContact O-N 3.1Å; A44-Q47 PolarHBondContact O-N 3Å; S45-Q47 VanDerWaalsContact C-N 3.29Å; S45-Q47 PolarHBondContact O-N 2.83Å; Q47-S72 PolarHBondContact NE2-OG 2.67Å; Q47-S72 PolarHBondContact OE1-OG 2.79Å; Q47-S72 VanDerWaalsContact OE1-OG 3.05Å; Q47-C74 PolarHBondContact NE2-O 2.85Å |
| 48 | S | 91.3 | Very high | 94.3 | Very high | 82 Ų | 82 | 41.7 Ų | 41.7 | 57% | 0.573 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -74.2 | -30.2 | -175 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | A44 S45 A46 Q52 | A44-S48 PolarHBondContact O-N 3.05Å; S45-S48 PolarHBondContact O-N 3.35Å; S45-S48 PolarHBondContact O-OG 2.83Å; A46-S48 VanDerWaalsContact C-N 3.27Å; A46-S48 PolarHBondContact O-N 3.28Å; S48-Q52 WeakPolarHBondContact OG-CG 3.3Å |
| 49 | S | 95 | Very high | 94.4 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | trans | -164.6 | 162.5 | 177.3 | 94.4 | 0 | 0 | 0 | 0 | 111.4 | G51 Q52 C53 E234 | S49-G51 VanDerWaalsContact C-N 3.32Å; S49-G51 PolarHBondContact O-N 2.96Å; S49-G51 PolarHBondContact OG-N 2.94Å; S49-Q52 PolarHBondContact O-N 3.18Å; S49-Q52 PolarHBondContact OG-N 3.25Å; S49-C53 PolarHBondContact O-N 3.43Å; S49-E234 WeakPolarHBondContact CB-OE1 3.29Å; S49-E234 PolarHBondContact OG-OE1 2.86Å | ||
| 50 | C | 96.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.4 | -44.6 | 176 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | Q52 C53 I54 W62 E90 C231 E234 C254 | C50-Q52 VanDerWaalsContact C-N 3.31Å; C50-Q52 PolarHBondContact O-N 2.91Å; C50-C53 VanDerWaalsContact O-CB 3.26Å; C50-C53 WeakPolarHBondContact O-CB 3.37Å; C50-C53 PolarHBondContact O-N 2.79Å; C50-C53 VanDerWaalsContact O-N 3.16Å; C50-I54 PolarHBondContact O-N 3.04Å; C50-I54 VanDerWaalsContact O-N 3.12Å; C50-W62 HydrophobicContact CB-CB 4.03Å; C50-W62 HydrophobicContact CB-CD2 3.85Å; C50-W62 HydrophobicContact CB-CE3 4.49Å; C50-W62 HydrophobicContact CB-CG 3.59Å; C50-W62 WeakPolarHBondContact SG-CB 3.44Å; C50-W62 VanDerWaalsContact SG-CG 3.54Å; C50-E90 VanDerWaalsContact SG-CB 3.54Å; C50-C231 HydrophobicContact CB-CB 3.76Å; C50-C231 WeakPolarHBondContact CB-SG 3.46Å; C50-C231 WeakPolarHBondContact SG-CB 3.47Å; C50-C231 CovalentContact SG-SG 2.02Å; C50-C231 PolarHBondContact SG-SG 3.08Å; C50-E234 HydrophobicContact CB-CG 4.07Å; C50-E234 PolarHBondContact N-OE1 3.24Å; C50-C254 HydrophobicContact CB-CB 4.11Å |
| 51 | G | 95.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65 | -32.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S49 K55 E234 | S49-G51 VanDerWaalsContact C-N 3.32Å; S49-G51 PolarHBondContact O-N 2.96Å; S49-G51 PolarHBondContact OG-N 2.94Å; G51-K55 VanDerWaalsContact O-CD 3.31Å; G51-K55 WeakPolarHBondContact O-CD 3.47Å; G51-K55 WeakPolarHBondContact O-CG 3.35Å; G51-E234 WeakPolarHBondContact CA-OE2 3.32Å; G51-E234 PolarHBondContact N-OE1 2.8Å; G51-E234 PolarHBondContact N-OE2 3.12Å |
| 52 | Q | 95.7 | Very high | 94.7 | Very high | 66 Ų | 66 | 36.6 Ų | 36.6 | 31% | 0.308 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -75.2 | -32.8 | 173.8 | -65.3 | -61.1 | -26.3 | 0 | 0 | 112.4 | S45 S48 S49 C50 K55 Q56 | S45-Q52 WeakPolarHBondContact O-CB 3.35Å; S48-Q52 WeakPolarHBondContact OG-CG 3.3Å; S49-Q52 PolarHBondContact O-N 3.18Å; S49-Q52 PolarHBondContact OG-N 3.25Å; C50-Q52 VanDerWaalsContact C-N 3.31Å; C50-Q52 PolarHBondContact O-N 2.91Å; Q52-K55 PolarHBondContact O-N 2.86Å; Q52-Q56 WeakPolarHBondContact O-CG 3.44Å; Q52-Q56 PolarHBondContact O-NE2 2.78Å |
| 53 | C | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -56.1 | 173.9 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | A46 S49 C50 K55 Q56 C60 A61 W62 C74 | A46-C53 WeakPolarHBondContact O-CB 3.36Å; A46-C53 PolarHBondContact O-N 2.89Å; S49-C53 PolarHBondContact O-N 3.43Å; C50-C53 VanDerWaalsContact O-CB 3.26Å; C50-C53 WeakPolarHBondContact O-CB 3.37Å; C50-C53 PolarHBondContact O-N 2.79Å; C50-C53 VanDerWaalsContact O-N 3.16Å; C53-K55 PolarHBondContact O-N 2.8Å; C53-K55 VanDerWaalsContact O-N 3.13Å; C53-Q56 WeakPolarHBondContact O-CB 3.47Å; C53-Q56 PolarHBondContact O-N 2.75Å; C53-C60 WeakPolarHBondContact O-CB 3.42Å; C53-A61 PolarHBondContact SG-O 2.9Å; C53-A61 VanDerWaalsContact SG-O 3.32Å; C53-W62 HydrophobicContact CB-CE3 3.84Å; C53-C74 WeakPolarHBondContact CA-SG 3.46Å; C53-C74 HydrophobicContact CB-CB 3.57Å; C53-C74 WeakPolarHBondContact CB-SG 3.4Å; C53-C74 WeakPolarHBondContact SG-CB 3.47Å; C53-C74 CovalentContact SG-SG 2.01Å; C53-C74 PolarHBondContact SG-SG 2.8Å |
| 54 | I | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.2 | -15.4 | -175.7 | 66.5 | 169.4 | 0 | 0 | 0 | 113.5 | C50 P92 K131 I228 | C50-I54 PolarHBondContact O-N 3.04Å; C50-I54 VanDerWaalsContact O-N 3.12Å; I54-P92 HydrophobicContact CD1-CG 3.79Å; I54-P92 HydrophobicContact CG2-CG 4.37Å; I54-K131 HydrophobicContact CB-CD 4.07Å; I54-I228 HydrophobicContact CD1-CG2 4.07Å |
| 55 | K | 94.9 | Very high | 95.4 | Very high | 66 Ų | 66 | 28.8 Ų | 28.8 | 29% | 0.287 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -79.9 | -20.8 | 174.1 | -77.5 | 172.2 | -174.3 | 156.6 | 0 | 113.5 | G51 Q52 C53 P132 C229 | G51-K55 VanDerWaalsContact O-CD 3.31Å; G51-K55 WeakPolarHBondContact O-CD 3.47Å; G51-K55 WeakPolarHBondContact O-CG 3.35Å; Q52-K55 PolarHBondContact O-N 2.86Å; C53-K55 PolarHBondContact O-N 2.8Å; C53-K55 VanDerWaalsContact O-N 3.13Å; K55-P132 HydrophobicContact CG-CG 4.33Å; K55-C229 WeakPolarHBondContact CE-O 3.17Å; K55-C229 PolarHBondContact NZ-O 3.18Å |
| 56 | Q | 94.7 | Very high | 95.4 | Very high | 51 Ų | 51 | 27.2 Ų | 27.2 | 24% | 0.238 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.3 | -41.3 | -177.4 | -58.6 | -51.8 | -51.6 | 0 | 0 | 112 | L40 A46 Q52 C53 | L40-Q56 HydrophobicContact CB-CB 4.17Å; A46-Q56 HydrophobicContact CB-CG 3.52Å; Q52-Q56 WeakPolarHBondContact O-CG 3.44Å; Q52-Q56 PolarHBondContact O-NE2 2.78Å; C53-Q56 WeakPolarHBondContact O-CB 3.47Å; C53-Q56 PolarHBondContact O-N 2.75Å |
| 57 | H | 95.1 | Very high | 95.2 | Very high | 46 Ų | 46 | 32.2 Ų | 32.2 | 21% | 0.213 | 17% | 0.174 | C | C | . | . | trans | -159.7 | 147.8 | 179.9 | -165.4 | -97.3 | 0 | 0 | 0 | 110.8 | L40 D59 C60 | L40-H57 HydrophobicContact CD1-CB 4.49Å; H57-D59 IonicContact CE1-OD2 2.87Å; H57-D59 PolarHBondContact CE1-OD2 2.83Å; H57-D59 VanDerWaalsContact CE1-OD2 3.24Å; H57-D59 WeakPolarHBondContact ND1-CB 3.49Å; H57-D59 PolarHBondContact ND1-N 3.36Å; H57-D59 VanDerWaalsContact ND1-N 3.12Å; H57-D59 IonicContact ND1-OD2 2.73Å; H57-D59 PolarHBondContact O-N 3.34Å; H57-D59 VanDerWaalsContact O-N 3.12Å; H57-C60 VanDerWaalsContact CB-SG 3.59Å; H57-C60 WeakPolarHBondContact O-CB 3.49Å; H57-C60 PolarHBondContact O-N 3.01Å | ||
| 58 | P | 95 | Very high | 95 | Very high | 14 Ų | 14 | 30.5 Ų | 30.5 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -21.3 | 176.6 | -26.6 | 35.6 | 0 | 0 | 0 | 115.3 | H91 K131 D134 | P58-H91 PolarHBondContact O-NE2 2.84Å; P58-H91 VanDerWaalsContact O-NE2 3.11Å; P58-K131 WeakPolarHBondContact O-CE 3.21Å; P58-K131 PolarHBondContact O-NZ 3.22Å; P58-D134 HydrophobicContact CB-CB 4.07Å; P58-D134 HydrophobicContact CG-CB 3.66Å |
| 59 | D | 96 | Very high | 94.4 | Very high | 84 Ų | 84 | 34.3 Ų | 34.3 | 45% | 0.449 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -6 | 177.4 | -60.9 | -30.8 | 0 | 0 | 0 | 113.8 | H57 L76 Y77 | H57-D59 IonicContact CE1-OD2 2.87Å; H57-D59 PolarHBondContact CE1-OD2 2.83Å; H57-D59 VanDerWaalsContact CE1-OD2 3.24Å; H57-D59 WeakPolarHBondContact ND1-CB 3.49Å; H57-D59 PolarHBondContact ND1-N 3.36Å; H57-D59 VanDerWaalsContact ND1-N 3.12Å; H57-D59 IonicContact ND1-OD2 2.73Å; H57-D59 PolarHBondContact O-N 3.34Å; H57-D59 VanDerWaalsContact O-N 3.12Å; D59-L76 HydrophobicContact CB-CD2 3.71Å; D59-L76 WeakPolarHBondContact O-CA 3.38Å; D59-Y77 PolarHBondContact O-N 2.95Å |
| 60 | C | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 137.5 | 174.4 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | C41 C53 H57 E75 H91 | C41-C60 WeakPolarHBondContact CA-SG 3.28Å; C41-C60 HydrophobicContact CB-CB 4.05Å; C41-C60 WeakPolarHBondContact CB-SG 3.47Å; C41-C60 WeakPolarHBondContact SG-CA 3.02Å; C41-C60 WeakPolarHBondContact SG-CB 3.33Å; C41-C60 CovalentContact SG-SG 2.04Å; C41-C60 PolarHBondContact SG-SG 2.99Å; C53-C60 WeakPolarHBondContact O-CB 3.42Å; H57-C60 VanDerWaalsContact CB-SG 3.59Å; H57-C60 WeakPolarHBondContact O-CB 3.49Å; H57-C60 PolarHBondContact O-N 3.01Å; C60-E75 WeakPolarHBondContact CA-O 3.45Å; C60-H91 PolarHBondContact O-CD2 3.01Å |
| 61 | A | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 156 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | C53 C74 E75 Y77 L80 V89 E90 H91 | C53-A61 PolarHBondContact SG-O 2.9Å; C53-A61 VanDerWaalsContact SG-O 3.32Å; A61-C74 WeakPolarHBondContact O-CA 3.39Å; A61-E75 PolarHBondContact N-O 3.22Å; A61-E75 PolarHBondContact O-N 2.73Å; A61-E75 VanDerWaalsContact O-N 3.09Å; A61-Y77 HydrophobicContact CB-CD2 4.07Å; A61-L80 HydrophobicContact CB-CD2 3.83Å; A61-L80 WeakPolarHBondContact O-CD2 3.09Å; A61-V89 HydrophobicContact CB-CG1 4.12Å; A61-E90 WeakPolarHBondContact CA-O 3.38Å; A61-H91 HydrophobicContact CB-CB 3.83Å |
| 62 | W | 98 | Very high | 92.8 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 2% | 0.023 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139.5 | -177.8 | 177.7 | -84.9 | 0 | 0 | 0 | 111.6 | C50 C53 R73 C74 E90 C254 A256 | C50-W62 HydrophobicContact CB-CB 4.03Å; C50-W62 HydrophobicContact CB-CD2 3.85Å; C50-W62 HydrophobicContact CB-CE3 4.49Å; C50-W62 HydrophobicContact CB-CG 3.59Å; C50-W62 WeakPolarHBondContact SG-CB 3.44Å; C50-W62 VanDerWaalsContact SG-CG 3.54Å; C53-W62 HydrophobicContact CB-CE3 3.84Å; W62-R73 CarbonylContact C-O 3.26Å; W62-R73 VanDerWaalsContact CA-O 3.28Å; W62-R73 WeakPolarHBondContact CA-O 3.15Å; W62-R73 HydrophobicContact CD2-CB 3.9Å; W62-R73 HydrophobicContact CE3-CB 3.92Å; W62-R73 HydrophobicContact CH2-CB 3.67Å; W62-R73 HydrophobicContact CH2-CG 4.44Å; W62-R73 HydrophobicContact CZ2-CB 3.64Å; W62-R73 VanDerWaalsContact CZ2-CD 3.45Å; W62-R73 HydrophobicContact CZ2-CG 4.19Å; W62-R73 HydrophobicContact CZ3-CB 3.81Å; W62-C74 HydrophobicContact CE3-CB 3.79Å; W62-C74 HydrophobicContact CZ3-CB 4.1Å; W62-E90 HydrophobicContact CB-CB 4.13Å; W62-E90 PolarHBondContact N-O 2.83Å; W62-E90 PolarHBondContact O-N 2.86Å; W62-C254 PolarHBondContact NE1-O 2.84Å; W62-A256 HydrophobicContact CZ2-CB 4.2Å |
| 63 | C | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 110.8 | 174.1 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | D65 L70 R73 L80 C84 | C63-D65 VanDerWaalsContact C-N 3.33Å; C63-L70 HydrophobicContact CB-CD1 3.9Å; C63-R73 PolarHBondContact N-O 2.73Å; C63-R73 PolarHBondContact O-NH1 3.28Å; C63-R73 VanDerWaalsContact O-NH1 3.16Å; C63-L80 HydrophobicContact CB-CD1 4.06Å; C63-L80 HydrophobicContact CB-CD2 4.2Å; C63-L80 HydrophobicContact CB-CG 4.41Å; C63-C84 VanDerWaalsContact CA-SG 3.57Å; C63-C84 HydrophobicContact CB-CB 3.7Å; C63-C84 WeakPolarHBondContact CB-SG 3.49Å; C63-C84 WeakPolarHBondContact SG-CB 3.46Å; C63-C84 CovalentContact SG-SG 2.04Å; C63-C84 PolarHBondContact SG-SG 2.96Å |
| 64 | S | 96.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 40 Ų | 40 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | trans | -89 | 5.6 | 180 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | P66 F88 C254 G255 | S64-P66 WeakPolarHBondContact O-CD 3.14Å; S64-F88 PolarHBondContact N-O 3.06Å; S64-F88 WeakPolarHBondContact OG-CA 3.11Å; S64-F88 PolarHBondContact OG-O 3.01Å; S64-C254 WeakPolarHBondContact CA-O 3.37Å; S64-G255 WeakPolarHBondContact O-CA 3.46Å; S64-G255 PolarHBondContact O-N 2.83Å | ||
| 65 | D | 95.3 | Very high | 92.8 | Very high | 26 Ų | 26 | 40.9 Ų | 40.9 | 14% | 0.139 | 22% | 0.221 | C | C | . | . | trans | -68.9 | 118 | 176.6 | 178 | 2.4 | 0 | 0 | 0 | 109.9 | C63 N67 A68 R73 F88 | C63-D65 VanDerWaalsContact C-N 3.33Å; D65-N67 PolarHBondContact O-N 3.12Å; D65-N67 PolarHBondContact OD1-N 2.88Å; D65-A68 HydrophobicContact CB-CB 3.84Å; D65-A68 PolarHBondContact O-N 3.38Å; D65-R73 PolarHBondContact O-NH1 2.92Å; D65-F88 HydrophobicContact CB-CB 3.76Å; D65-F88 HydrophobicContact CB-CD1 4.09Å; D65-F88 HydrophobicContact CB-CD2 3.91Å; D65-F88 HydrophobicContact CB-CG 3.66Å | ||
| 66 | P | 92.2 | Very high | 92.9 | Very high | 26 Ų | 26 | 39.4 Ų | 39.4 | 17% | 0.169 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -18 | 179.4 | 30.5 | -37 | 0 | 0 | 0 | 113.9 | S64 L252 | S64-P66 WeakPolarHBondContact O-CD 3.14Å; P66-L252 HydrophobicContact CB-CD1 4.09Å; P66-L252 HydrophobicContact CB-CD2 4.05Å |
| 67 | N | 90.8 | Very high | 93 | Very high | 104 Ų | 104 | 41.3 Ų | 41.3 | 56% | 0.556 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98 | -6.1 | -179.7 | -58 | -51.3 | 0 | 0 | 0 | 113.1 | D65 D69 Q245 | D65-N67 PolarHBondContact O-N 3.12Å; D65-N67 PolarHBondContact OD1-N 2.88Å; N67-D69 PolarHBondContact O-N 2.8Å; N67-Q245 PolarHBondContact OD1-NE2 3.14Å |
| 68 | A | 86.1 | Confident | 93.1 | Very high | 19 Ų | 19 | 42 Ų | 42 | 16% | 0.157 | 23% | 0.231 | C | C | . | . | trans | -62.4 | 120.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D65 L70 | D65-A68 HydrophobicContact CB-CB 3.84Å; D65-A68 PolarHBondContact O-N 3.38Å; A68-L70 HydrophobicContact CB-CD1 3.91Å; A68-L70 HydrophobicContact CB-CG 4.01Å; A68-L70 PolarHBondContact O-N 3.08Å | ||
| 69 | D | 80.7 | Confident | 93.1 | Very high | 162 Ų | 162 | 43.6 Ų | 43.6 | 87% | 0.866 | 24% | 0.243 | S | C | * | . | trans | -92 | 75 | 170.1 | -168.7 | 22.8 | 0 | 0 | 0 | 109 | N67 | N67-D69 PolarHBondContact O-N 2.8Š| ||
| 70 | L | 83.3 | Confident | 93 | Very high | 38 Ų | 38 | 39.6 Ų | 39.6 | 20% | 0.199 | 22% | 0.222 | C | C | . | . | trans | -113.1 | 137.8 | -177.9 | -64.6 | 172.9 | 0 | 0 | 0 | 110 | C63 A68 S72 L80 K83 C84 | C63-L70 HydrophobicContact CB-CD1 3.9Å; A68-L70 HydrophobicContact CB-CD1 3.91Å; A68-L70 HydrophobicContact CB-CG 4.01Å; A68-L70 PolarHBondContact O-N 3.08Å; L70-S72 PolarHBondContact O-N 2.84Å; L70-S72 VanDerWaalsContact O-N 3.17Å; L70-L80 HydrophobicContact CD1-CD1 4.35Å; L70-K83 HydrophobicContact CD2-CB 3.91Å; L70-K83 HydrophobicContact CD2-CD 4.41Å; L70-C84 HydrophobicContact CD1-CB 4.46Å | ||
| 71 | P | 79.9 | Confident | 92.9 | Very high | 129 Ų | 129 | 43.2 Ų | 43.2 | 84% | 0.838 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -62.8 | -23.6 | 175.1 | 26.6 | -34.8 | 0 | 0 | 0 | 112.2 | ||
| 72 | S | 89.9 | Confident | 92.7 | Very high | 7 Ų | 7 | 51 Ų | 51 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | trans | -149.3 | 129.5 | -175.7 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | Q42 Q47 L70 C74 | Q42-S72 PolarHBondContact NE2-OG 2.71Å; Q42-S72 PolarHBondContact OE1-OG 3.3Å; Q47-S72 PolarHBondContact NE2-OG 2.67Å; Q47-S72 PolarHBondContact OE1-OG 2.79Å; Q47-S72 VanDerWaalsContact OE1-OG 3.05Å; L70-S72 PolarHBondContact O-N 2.84Å; L70-S72 VanDerWaalsContact O-N 3.17Å; S72-C74 PolarHBondContact OG-O 2.92Å | ||
| 73 | R | 94.4 | Very high | 92.5 | Very high | 48 Ų | 48 | 56 Ų | 56 | 18% | 0.181 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -85.5 | -26 | 176.7 | -70 | -179.4 | 177.8 | -81.3 | -6.1 | 111.8 | W62 C63 D65 G255 | W62-R73 CarbonylContact C-O 3.26Å; W62-R73 VanDerWaalsContact CA-O 3.28Å; W62-R73 WeakPolarHBondContact CA-O 3.15Å; W62-R73 HydrophobicContact CD2-CB 3.9Å; W62-R73 HydrophobicContact CE3-CB 3.92Å; W62-R73 HydrophobicContact CH2-CB 3.67Å; W62-R73 HydrophobicContact CH2-CG 4.44Å; W62-R73 HydrophobicContact CZ2-CB 3.64Å; W62-R73 VanDerWaalsContact CZ2-CD 3.45Å; W62-R73 HydrophobicContact CZ2-CG 4.19Å; W62-R73 HydrophobicContact CZ3-CB 3.81Å; C63-R73 PolarHBondContact N-O 2.73Å; C63-R73 PolarHBondContact O-NH1 3.28Å; C63-R73 VanDerWaalsContact O-NH1 3.16Å; D65-R73 PolarHBondContact O-NH1 2.92Å; R73-G255 PolarHBondContact NH1-O 2.87Å; R73-G255 PolarHBondContact NH2-O 2.79Å |
| 74 | C | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 114.5 | 176.3 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | C41 Q42 Q47 C53 A61 W62 S72 | C41-C74 PolarHBondContact O-SG 2.73Å; C41-C74 VanDerWaalsContact O-SG 3.36Å; Q42-C74 PolarHBondContact NE2-O 2.73Å; Q47-C74 PolarHBondContact NE2-O 2.85Å; C53-C74 WeakPolarHBondContact CA-SG 3.46Å; C53-C74 HydrophobicContact CB-CB 3.57Å; C53-C74 WeakPolarHBondContact CB-SG 3.4Å; C53-C74 WeakPolarHBondContact SG-CB 3.47Å; C53-C74 CovalentContact SG-SG 2.01Å; C53-C74 PolarHBondContact SG-SG 2.8Å; A61-C74 WeakPolarHBondContact O-CA 3.39Å; W62-C74 HydrophobicContact CE3-CB 3.79Å; W62-C74 HydrophobicContact CZ3-CB 4.1Å; S72-C74 PolarHBondContact OG-O 2.92Å |
| 75 | E | 96.3 | Very high | 92.4 | Very high | 17 Ų | 17 | 61.2 Ų | 61.2 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | -178.6 | 173.1 | -52.6 | -160.2 | 173.5 | 0 | 0 | 110.7 | C60 A61 L80 K83 | C60-E75 WeakPolarHBondContact CA-O 3.45Å; A61-E75 PolarHBondContact N-O 3.22Å; A61-E75 PolarHBondContact O-N 2.73Å; A61-E75 VanDerWaalsContact O-N 3.09Å; E75-L80 HydrophobicContact CB-CB 4.38Å; E75-L80 HydrophobicContact CB-CD1 4.35Å; E75-L80 HydrophobicContact CG-CD1 4.26Å; E75-K83 IonicContact OE1-NZ 2.8Å; E75-K83 PolarHBondContact OE1-NZ 3.34Å; E75-K83 IonicContact OE2-NZ 2.73Å; E75-K83 PolarHBondContact OE2-NZ 3.25Å |
| 76 | L | 97.3 | Very high | 92.3 | Very high | 35 Ų | 35 | 65 Ų | 65 | 18% | 0.183 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 138.5 | 166.3 | -68.7 | 175.3 | 0 | 0 | 0 | 110.1 | P37 A38 D59 S78 S79 L80 | P37-L76 HydrophobicContact CB-CD2 3.81Å; A38-L76 HydrophobicContact CB-CD1 3.76Å; A38-L76 HydrophobicContact CB-CG 4.23Å; D59-L76 HydrophobicContact CB-CD2 3.71Å; D59-L76 WeakPolarHBondContact O-CA 3.38Å; L76-S78 VanDerWaalsContact C-N 3.26Å; L76-S78 PolarHBondContact O-N 2.77Å; L76-S79 WeakPolarHBondContact O-CB 3.42Å; L76-S79 PolarHBondContact O-N 3.44Å; L76-L80 PolarHBondContact O-N 3Å |
| 77 | Y | 96.9 | Very high | 92.4 | Very high | 91 Ų | 91 | 67.5 Ų | 67.5 | 36% | 0.357 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -49 | -46.6 | 178.7 | 176 | -106.5 | 0 | 0 | 0 | 112.9 | D59 A61 S79 L80 E81 V89 H91 | D59-Y77 PolarHBondContact O-N 2.95Å; A61-Y77 HydrophobicContact CB-CD2 4.07Å; Y77-S79 PolarHBondContact O-N 3.31Å; Y77-L80 PolarHBondContact O-N 3.19Å; Y77-L80 VanDerWaalsContact O-N 3.14Å; Y77-E81 WeakPolarHBondContact O-CB 3.46Å; Y77-E81 WeakPolarHBondContact O-CG 3.49Å; Y77-E81 PolarHBondContact O-N 3.34Å; Y77-V89 HydrophobicContact CD2-CG1 3.85Å; Y77-V89 HydrophobicContact CE2-CG1 3.85Å; Y77-H91 AromaticContact CD1-ND1 3.93Å; Y77-H91 HydrophobicContact CD2-CB 3.68Å; Y77-H91 AromaticContact CD2-CG 3.62Å; Y77-H91 AromaticContact CD2-ND1 3.32Å; Y77-H91 VanDerWaalsContact CD2-ND1 3.32Å; Y77-H91 WeakPolarHBondContact CD2-ND1 3.29Å; Y77-H91 HydrophobicContact CE2-CB 4.09Å; Y77-H91 AromaticContact CE2-ND1 3.78Å; Y77-H91 AromaticContact CG-CE1 3.7Å; Y77-H91 AromaticContact CG-CG 3.97Å; Y77-H91 AromaticContact CG-ND1 3.4Å |
| 78 | S | 96.1 | Very high | 92.7 | Very high | 60 Ų | 60 | 65.9 Ų | 65.9 | 42% | 0.42 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.1 | -19 | -178.8 | 60.3 | 0 | 0 | 0 | 0 | 115.2 | L76 E81 K82 | L76-S78 VanDerWaalsContact C-N 3.26Å; L76-S78 PolarHBondContact O-N 2.77Å; S78-E81 WeakPolarHBondContact CA-OE1 3.29Å; S78-K82 WeakPolarHBondContact O-CE 3.34Å; S78-K82 PolarHBondContact O-NZ 3.34Å |
| 79 | S | 95 | Very high | 93.2 | Very high | 48 Ų | 48 | 66.1 Ų | 66.1 | 34% | 0.336 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -93.1 | -40.6 | 172.5 | -65.3 | 0 | 0 | 0 | 0 | 110.9 | L76 Y77 K82 | L76-S79 WeakPolarHBondContact O-CB 3.42Å; L76-S79 PolarHBondContact O-N 3.44Å; Y77-S79 PolarHBondContact O-N 3.31Å; S79-K82 PolarHBondContact O-N 3.21Å |
| 80 | L | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.3 | -37.2 | -174.2 | -165.4 | 65.5 | 0 | 0 | 0 | 112.7 | A61 C63 L70 E75 L76 Y77 K82 K83 C84 V89 | A61-L80 HydrophobicContact CB-CD2 3.83Å; A61-L80 WeakPolarHBondContact O-CD2 3.09Å; C63-L80 HydrophobicContact CB-CD1 4.06Å; C63-L80 HydrophobicContact CB-CD2 4.2Å; C63-L80 HydrophobicContact CB-CG 4.41Å; L70-L80 HydrophobicContact CD1-CD1 4.35Å; E75-L80 HydrophobicContact CB-CB 4.38Å; E75-L80 HydrophobicContact CB-CD1 4.35Å; E75-L80 HydrophobicContact CG-CD1 4.26Å; L76-L80 PolarHBondContact O-N 3Å; Y77-L80 PolarHBondContact O-N 3.19Å; Y77-L80 VanDerWaalsContact O-N 3.14Å; L80-K82 PolarHBondContact O-N 3.2Å; L80-K83 PolarHBondContact O-N 3.45Å; L80-C84 HydrophobicContact CD1-CB 4.23Å; L80-C84 HydrophobicContact CG-CB 4.09Å; L80-C84 PolarHBondContact O-N 3.21Å; L80-V89 HydrophobicContact CD2-CG1 4.35Å |
| 81 | E | 94.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 60.4 Ų | 60.4 | 36% | 0.355 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.6 | 178.6 | 70.6 | -178.4 | 160.9 | 0 | 0 | 113.7 | Y77 S78 | Y77-E81 WeakPolarHBondContact O-CB 3.46Å; Y77-E81 WeakPolarHBondContact O-CG 3.49Å; Y77-E81 PolarHBondContact O-N 3.34Å; S78-E81 WeakPolarHBondContact CA-OE1 3.29Å |
| 82 | K | 94.2 | Very high | 95.4 | Very high | 165 Ų | 165 | 56 Ų | 56 | 72% | 0.717 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -17 | 177.6 | -61.8 | 169.1 | -175.5 | 139 | 0 | 113.3 | S78 S79 L80 | S78-K82 WeakPolarHBondContact O-CE 3.34Å; S78-K82 PolarHBondContact O-NZ 3.34Å; S79-K82 PolarHBondContact O-N 3.21Å; L80-K82 PolarHBondContact O-N 3.2Å |
| 83 | K | 93.8 | Very high | 95.6 | Very high | 111 Ų | 111 | 60.4 Ų | 60.4 | 48% | 0.483 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -30.1 | -172.8 | -63.3 | 175.8 | 179.6 | 172.4 | 0 | 112.9 | L70 E75 L80 | L70-K83 HydrophobicContact CD2-CB 3.91Å; L70-K83 HydrophobicContact CD2-CD 4.41Å; E75-K83 IonicContact OE1-NZ 2.8Å; E75-K83 PolarHBondContact OE1-NZ 3.34Å; E75-K83 IonicContact OE2-NZ 2.73Å; E75-K83 PolarHBondContact OE2-NZ 3.25Å; L80-K83 PolarHBondContact O-N 3.45Å |
| 84 | C | 95.7 | Very high | 95.7 | Very high | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.027 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -112.9 | 136.4 | -180 | -172 | 0 | 0 | 0 | 0 | 108.6 | C63 L70 L80 T86 V89 | C63-C84 VanDerWaalsContact CA-SG 3.57Å; C63-C84 HydrophobicContact CB-CB 3.7Å; C63-C84 WeakPolarHBondContact CB-SG 3.49Å; C63-C84 WeakPolarHBondContact SG-CB 3.46Å; C63-C84 CovalentContact SG-SG 2.04Å; C63-C84 PolarHBondContact SG-SG 2.96Å; L70-C84 HydrophobicContact CD1-CB 4.46Å; L80-C84 HydrophobicContact CD1-CB 4.23Å; L80-C84 HydrophobicContact CG-CB 4.09Å; L80-C84 PolarHBondContact O-N 3.21Å; C84-T86 PolarHBondContact O-N 2.95Å; C84-V89 HydrophobicContact CB-CG2 3.87Å |
| 85 | E | 94.8 | Very high | 95.6 | Very high | 120 Ų | 120 | 64.2 Ų | 64.2 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | trans | -59.4 | 133.7 | 174.8 | -178.4 | -169.2 | 148.6 | 0 | 0 | 109.7 | S87 F88 | E85-S87 WeakPolarHBondContact CG-OG 3.25Å; E85-S87 PolarHBondContact O-N 2.91Å; E85-S87 PolarHBondContact OE1-OG 3.44Å; E85-F88 HydrophobicContact CB-CD2 4.12Å; E85-F88 PolarHBondContact O-N 3.08Å | ||
| 86 | T | 93.6 | Very high | 95.6 | Very high | 106 Ų | 106 | 65.9 Ų | 65.9 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -57.8 | -26.6 | -169.5 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | C84 F88 V89 | C84-T86 PolarHBondContact O-N 2.95Å; T86-F88 VanDerWaalsContact C-N 3.25Å; T86-F88 PolarHBondContact O-N 2.79Å; T86-V89 PolarHBondContact O-N 2.91Å |
| 87 | S | 95.1 | Very high | 95.7 | Very high | 78 Ų | 78 | 67.7 Ų | 67.7 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -67.5 | -24.4 | 176.5 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | E85 | E85-S87 WeakPolarHBondContact CG-OG 3.25Å; E85-S87 PolarHBondContact O-N 2.91Å; E85-S87 PolarHBondContact OE1-OG 3.44Å |
| 88 | F | 96.3 | Very high | 95.7 | Very high | 69 Ų | 69 | 67.8 Ų | 67.8 | 30% | 0.303 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -102.4 | 5.7 | 177.8 | -65.7 | -76.8 | 0 | 0 | 0 | 113 | S64 D65 E85 T86 E90 | S64-F88 PolarHBondContact N-O 3.06Å; S64-F88 WeakPolarHBondContact OG-CA 3.11Å; S64-F88 PolarHBondContact OG-O 3.01Å; D65-F88 HydrophobicContact CB-CB 3.76Å; D65-F88 HydrophobicContact CB-CD1 4.09Å; D65-F88 HydrophobicContact CB-CD2 3.91Å; D65-F88 HydrophobicContact CB-CG 3.66Å; E85-F88 HydrophobicContact CB-CD2 4.12Å; E85-F88 PolarHBondContact O-N 3.08Å; T86-F88 VanDerWaalsContact C-N 3.25Å; T86-F88 PolarHBondContact O-N 2.79Å; F88-E90 PolarHBondContact O-N 2.84Å |
| 89 | V | 97.2 | Very high | 95.6 | Very high | 24 Ų | 24 | 68.6 Ų | 68.6 | 15% | 0.145 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 112.2 | 177.9 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | A61 Y77 L80 C84 T86 H91 | A61-V89 HydrophobicContact CB-CG1 4.12Å; Y77-V89 HydrophobicContact CD2-CG1 3.85Å; Y77-V89 HydrophobicContact CE2-CG1 3.85Å; L80-V89 HydrophobicContact CD2-CG1 4.35Å; C84-V89 HydrophobicContact CB-CG2 3.87Å; T86-V89 PolarHBondContact O-N 2.91Å; V89-H91 HydrophobicContact CG1-CB 4.32Å; V89-H91 PolarHBondContact O-N 2.81Å |
| 90 | E | 97.5 | Very high | 95.6 | Very high | 39 Ų | 39 | 71.3 Ų | 71.3 | 18% | 0.182 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 100.4 | 174.1 | -64.8 | -73.1 | 167.9 | 0 | 0 | 109.5 | C50 A61 W62 F88 C233 | C50-E90 VanDerWaalsContact SG-CB 3.54Å; A61-E90 WeakPolarHBondContact CA-O 3.38Å; W62-E90 HydrophobicContact CB-CB 4.13Å; W62-E90 PolarHBondContact N-O 2.83Å; W62-E90 PolarHBondContact O-N 2.86Å; F88-E90 PolarHBondContact O-N 2.84Å; E90-C233 VanDerWaalsContact CD-SG 3.58Å; E90-C233 WeakPolarHBondContact OE1-CB 3.37Å; E90-C233 PolarHBondContact OE1-SG 2.76Å |
| 91 | H | 96.4 | Very high | 95.6 | Very high | 42 Ų | 42 | 74.9 Ų | 74.9 | 19% | 0.194 | 38% | 0.379 | C | S | . | . | trans | -139.1 | 78.8 | 176.3 | -176.8 | -136.1 | 0 | 0 | 0 | 110.3 | P58 C60 A61 Y77 V89 V93 K131 | P58-H91 PolarHBondContact O-NE2 2.84Å; P58-H91 VanDerWaalsContact O-NE2 3.11Å; C60-H91 PolarHBondContact O-CD2 3.01Å; A61-H91 HydrophobicContact CB-CB 3.83Å; Y77-H91 AromaticContact CD1-ND1 3.93Å; Y77-H91 HydrophobicContact CD2-CB 3.68Å; Y77-H91 AromaticContact CD2-CG 3.62Å; Y77-H91 AromaticContact CD2-ND1 3.32Å; Y77-H91 VanDerWaalsContact CD2-ND1 3.32Å; Y77-H91 WeakPolarHBondContact CD2-ND1 3.29Å; Y77-H91 HydrophobicContact CE2-CB 4.09Å; Y77-H91 AromaticContact CE2-ND1 3.78Å; Y77-H91 AromaticContact CG-CE1 3.7Å; Y77-H91 AromaticContact CG-CG 3.97Å; Y77-H91 AromaticContact CG-ND1 3.4Å; V89-H91 HydrophobicContact CG1-CB 4.32Å; V89-H91 PolarHBondContact O-N 2.81Å; H91-V93 PolarHBondContact O-N 2.84Å; H91-K131 PolarHBondContact CD2-NZ 3.17Å; H91-K131 VanDerWaalsContact CD2-NZ 3.26Å; H91-K131 PolarHBondContact NE2-NZ 3.15Å | ||
| 92 | P | 95.4 | Very high | 95.6 | Very high | 36 Ų | 36 | 73 Ų | 73 | 23% | 0.234 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 128.8 | 178.1 | 26.4 | -32 | 0 | 0 | 0 | 109.6 | I54 K131 I228 | I54-P92 HydrophobicContact CD1-CG 3.79Å; I54-P92 HydrophobicContact CG2-CG 4.37Å; P92-K131 HydrophobicContact CG-CD 4.32Å; P92-K131 WeakPolarHBondContact O-CD 3.45Å; P92-K131 WeakPolarHBondContact O-CE 2.97Å; P92-K131 PolarHBondContact O-NZ 3.28Å; P92-I228 HydrophobicContact CB-CD1 4.41Å; P92-I228 HydrophobicContact CB-CG2 3.76Å; P92-I228 HydrophobicContact CG-CG2 3.67Å |
| 93 | V | 94.8 | Very high | 95.6 | Very high | 100 Ų | 100 | 70 Ų | 70 | 61% | 0.606 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -98.6 | 136.8 | -176.3 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | H91 K95 | H91-V93 PolarHBondContact O-N 2.84Å; V93-K95 PolarHBondContact O-N 2.76Å |
| 94 | S | 95.5 | Very high | 95.6 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 12% | 0.119 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 133.3 | 174.7 | -53.1 | 0 | 0 | 0 | 0 | 110.2 | A129 M130 K131 D134 | S94-A129 CarbonylContact C-O 3.38Å; S94-A129 WeakPolarHBondContact CA-O 3.37Å; S94-M130 WeakPolarHBondContact OG-CA 3.39Å; S94-K131 PolarHBondContact OG-N 2.95Å; S94-K131 VanDerWaalsContact OG-N 3.09Å; S94-D134 WeakPolarHBondContact CB-OD2 3.49Å; S94-D134 PolarHBondContact OG-OD2 3.05Å |
| 95 | K | 96.1 | Very high | 95.5 | Very high | 110 Ų | 110 | 66.7 Ų | 66.7 | 48% | 0.478 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152.1 | -176.4 | 60.7 | 171.1 | -176.1 | 163.4 | 0 | 112.3 | V93 E97 I128 A129 | V93-K95 PolarHBondContact O-N 2.76Å; K95-E97 WeakPolarHBondContact CD-OE1 3.47Å; K95-E97 WeakPolarHBondContact CE-OE1 3.46Å; K95-E97 IonicContact NZ-OE1 2.71Å; K95-E97 PolarHBondContact NZ-OE1 3.28Å; K95-I128 WeakPolarHBondContact O-CA 3.43Å; K95-A129 HydrophobicContact CG-CB 3.94Å; K95-A129 PolarHBondContact N-O 2.88Å; K95-A129 PolarHBondContact O-N 3.14Å |
| 96 | V | 97.2 | Very high | 95.3 | Very high | 52 Ų | 52 | 62.7 Ų | 62.7 | 32% | 0.315 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 132.8 | 173.4 | 58.8 | 0 | 0 | 0 | 0 | 109.9 | F98 V126 I128 I136 | V96-F98 HydrophobicContact CG2-CE1 4.23Å; V96-F98 HydrophobicContact CG2-CZ 4.13Å; V96-V126 HydrophobicContact CG2-CG1 3.73Å; V96-I128 HydrophobicContact CG2-CG1 4.17Å; V96-I136 HydrophobicContact CB-CG2 3.86Å; V96-I136 HydrophobicContact CG1-CG2 4.26Å; V96-I136 HydrophobicContact CG2-CG2 4.39Å |
| 97 | E | 97.5 | Very high | 95.1 | Very high | 74 Ų | 74 | 62 Ų | 62 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.7 | 178 | -68 | 179.8 | -165.5 | 0 | 0 | 109.3 | K95 Q127 | K95-E97 WeakPolarHBondContact CD-OE1 3.47Å; K95-E97 WeakPolarHBondContact CE-OE1 3.46Å; K95-E97 IonicContact NZ-OE1 2.71Å; K95-E97 PolarHBondContact NZ-OE1 3.28Å; E97-Q127 HydrophobicContact CB-CB 4.5Å; E97-Q127 PolarHBondContact N-O 3.08Å; E97-Q127 PolarHBondContact O-N 3.45Å |
| 98 | F | 97.2 | Very high | 94.6 | Very high | 92 Ų | 92 | 61.5 Ų | 61.5 | 40% | 0.404 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 97.3 | 178.9 | -56.3 | -76.1 | 0 | 0 | 0 | 109.7 | V96 Q100 N101 P123 V126 F138 | V96-F98 HydrophobicContact CG2-CE1 4.23Å; V96-F98 HydrophobicContact CG2-CZ 4.13Å; F98-Q100 VanDerWaalsContact C-N 3.33Å; F98-N101 HydrophobicContact CB-CB 3.94Å; F98-P123 HydrophobicContact CD1-CB 3.89Å; F98-P123 HydrophobicContact CD1-CG 3.81Å; F98-P123 HydrophobicContact CE1-CG 4.04Å; F98-V126 HydrophobicContact CD1-CG1 4.35Å; F98-V126 HydrophobicContact CD1-CG2 4.08Å; F98-V126 HydrophobicContact CE1-CG1 4.39Å; F98-V126 HydrophobicContact CE1-CG2 4.38Å; F98-F138 HydrophobicContact CE1-CB 4.04Å; F98-F138 HydrophobicContact CE1-CD2 4.46Å; F98-F138 HydrophobicContact CE1-CG 4.4Å; F98-F138 HydrophobicContact CZ-CB 4.05Å |
| 99 | L | 95.6 | Very high | 94 | Very high | 77 Ų | 77 | 65 Ų | 65 | 40% | 0.403 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | -33.7 | -177.6 | -58.6 | -178.6 | 0 | 0 | 0 | 112 | Q125 Q127 | L99-Q125 HydrophobicContact CB-CB 4Å; L99-Q125 HydrophobicContact CB-CG 3.89Å; L99-Q125 HydrophobicContact CD1-CG 4.05Å; L99-Q125 HydrophobicContact CG-CG 4.46Å; L99-Q125 PolarHBondContact N-O 2.77Å; L99-Q127 HydrophobicContact CD1-CB 3.87Å; L99-Q127 HydrophobicContact CD2-CB 4.36Å; L99-Q127 HydrophobicContact CG-CB 3.98Å |
| 100 | Q | 93.6 | Very high | 92.9 | Very high | 106 Ų | 106 | 65.6 Ų | 65.6 | 50% | 0.495 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 120.8 | 172.4 | -63.2 | -177.4 | 39.9 | 0 | 0 | 109.5 | F98 P123 Q124 Q125 | F98-Q100 VanDerWaalsContact C-N 3.33Å; Q100-P123 WeakPolarHBondContact O-CB 3.13Å; Q100-Q124 VanDerWaalsContact C-OE1 3.24Å; Q100-Q124 HydrophobicContact CB-CB 4.01Å; Q100-Q124 PolarHBondContact O-N 2.61Å; Q100-Q124 PolarHBondContact O-OE1 3.26Å; Q100-Q125 HydrophobicContact CB-CB 3.77Å; Q100-Q125 HydrophobicContact CG-CB 4.01Å; Q100-Q125 PolarHBondContact N-O 3.11Å; Q100-Q125 PolarHBondContact O-N 2.96Å; Q100-Q125 VanDerWaalsContact O-N 3.08Å |
| 101 | N | 95.2 | Very high | 91.9 | Very high | 74 Ų | 74 | 69 Ų | 69 | 40% | 0.396 | 38% | 0.379 | S | S | . | . | trans | -143.9 | 51.1 | -172.3 | -167.9 | 22.4 | 0 | 0 | 0 | 112.4 | F98 Q122 P123 | F98-N101 HydrophobicContact CB-CB 3.94Å; N101-Q122 WeakPolarHBondContact OD1-CG 3.35Å; N101-Q122 PolarHBondContact OD1-NE2 2.7Å; N101-P123 HydrophobicContact CB-CB 4.25Å | ||
| 102 | A | 94 | Very high | 91 | Very high | 36 Ų | 36 | 77.6 Ų | 77.6 | 30% | 0.298 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 135.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | T119 Q122 Q124 | A102-T119 HydrophobicContact CB-CG2 4.38Å; A102-Q122 WeakPolarHBondContact O-CG 3.37Å; A102-Q124 PolarHBondContact O-NE2 3.24Å |
| 103 | D | 95.4 | Very high | 90.5 | Very high | 103 Ų | 103 | 79.8 Ų | 79.8 | 55% | 0.551 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 146.7 | 177.9 | -71.5 | -40.3 | 0 | 0 | 0 | 111.9 | G105 A106 T119 Q122 | D103-G105 PolarHBondContact O-N 3.08Å; D103-A106 WeakPolarHBondContact O-CB 3.14Å; D103-A106 PolarHBondContact O-N 2.8Å; D103-T119 WeakPolarHBondContact O-CB 3.49Å; D103-Q122 PolarHBondContact OD1-NE2 3.24Å |
| 104 | V | 94 | Very high | 90 | Very high | 25 Ų | 25 | 76.7 Ų | 76.7 | 15% | 0.152 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 132.9 | 170.7 | -69 | 0 | 0 | 0 | 0 | 110.8 | A106 Q122 R141 L143 V190 | V104-A106 VanDerWaalsContact C-N 3.3Å; V104-A106 PolarHBondContact O-N 2.66Å; V104-Q122 HydrophobicContact CG1-CB 3.7Å; V104-R141 HydrophobicContact CG1-CB 3.88Å; V104-R141 WeakPolarHBondContact CG1-O 3.36Å; V104-L143 HydrophobicContact CB-CB 3.99Å; V104-L143 HydrophobicContact CG1-CB 4.41Å; V104-V190 HydrophobicContact CG2-CG1 4.29Å; V104-V190 HydrophobicContact CG2-CG2 4.37Å |
| 105 | G | 92.2 | Very high | 89.5 | Confident | 21 Ų | 21 | 78.1 Ų | 78.1 | 22% | 0.216 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -9.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D103 T119 | D103-G105 PolarHBondContact O-N 3.08Å; G105-T119 PolarHBondContact N-O 2.8Å |
| 106 | A | 92.4 | Very high | 89 | Confident | 36 Ų | 36 | 79.2 Ų | 79.2 | 30% | 0.298 | 44% | 0.439 | S | S | . | . | trans | -62.6 | 145.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D103 V104 R118 T119 | D103-A106 WeakPolarHBondContact O-CB 3.14Å; D103-A106 PolarHBondContact O-N 2.8Å; V104-A106 VanDerWaalsContact C-N 3.3Å; V104-A106 PolarHBondContact O-N 2.66Å; A106-R118 WeakPolarHBondContact O-CA 3.46Å; A106-T119 PolarHBondContact O-N 2.54Å; A106-T119 PolarHBondContact O-OG1 2.91Å | ||
| 107 | S | 88.9 | Confident | 88.5 | Confident | 90 Ų | 90 | 79 Ų | 79 | 63% | 0.629 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 122.4 | 171.9 | -69.8 | 0 | 0 | 0 | 0 | 109.8 | ||
| 108 | R | 84.7 | Confident | 88.1 | Confident | 68 Ų | 68 | 82.8 Ų | 82.8 | 26% | 0.257 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 151.6 | 173.6 | 69.3 | 179 | -176.5 | 85.6 | -4.4 | 110.4 | I116 V117 T119 E219 | R108-I116 WeakPolarHBondContact O-CA 3.19Å; R108-V117 HydrophobicContact CG-CG2 3.59Å; R108-V117 PolarHBondContact N-O 2.8Å; R108-V117 PolarHBondContact O-N 2.83Å; R108-V117 VanDerWaalsContact O-O 3.11Å; R108-T119 WeakPolarHBondContact CD-OG1 3.19Å; R108-E219 IonicContact CZ-OE1 3.68Å; R108-E219 VanDerWaalsContact CZ-OE1 3.25Å; R108-E219 IonicContact NE-OE1 3.29Å; R108-E219 PolarHBondContact NE-OE1 3.41Å; R108-E219 IonicContact NH2-OE1 3.57Å; R108-E219 PolarHBondContact NH2-OE1 2.02Å |
| 109 | Q | 82.4 | Confident | 87.9 | Confident | 143 Ų | 143 | 78.4 Ų | 78.4 | 67% | 0.668 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 126.8 | 171.7 | -162.4 | 168.8 | 17.4 | 0 | 0 | 108.9 | P111 G114 | Q109-P111 WeakPolarHBondContact O-CD 3.35Å; Q109-G114 WeakPolarHBondContact CG-O 3.4Å; Q109-G114 PolarHBondContact NE2-O 3.23Å |
| 110 | D | 75.4 | Confident | 87.8 | Confident | 36 Ų | 36 | 76.6 Ų | 76.6 | 19% | 0.193 | 42% | 0.419 | C | S | . | . | trans | -68.5 | 123.1 | 174.4 | 179.4 | -108.9 | 0 | 0 | 0 | 109.8 | Y112 S113 G114 A115 V117 | D110-Y112 PolarHBondContact O-N 3.45Å; D110-Y112 VanDerWaalsContact O-N 3.12Å; D110-Y112 PolarHBondContact OD1-N 2.89Å; D110-S113 WeakPolarHBondContact CB-OG 3.33Å; D110-S113 WeakPolarHBondContact OD1-CB 3.49Å; D110-S113 PolarHBondContact OD1-N 2.78Å; D110-S113 PolarHBondContact OD1-OG 2.86Å; D110-G114 VanDerWaalsContact O-CA 3.29Å; D110-G114 WeakPolarHBondContact O-CA 3.47Å; D110-G114 PolarHBondContact O-N 2.82Å; D110-A115 WeakPolarHBondContact CB-O 3.43Å; D110-A115 PolarHBondContact N-O 3.28Å; D110-V117 HydrophobicContact CB-CG1 3.97Å; D110-V117 HydrophobicContact CB-CG2 4.06Å | ||
| 111 | P | 76.6 | Confident | 87.8 | Confident | 110 Ų | 110 | 71.6 Ų | 71.6 | 71% | 0.714 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.2 | -174.4 | -24.6 | 33.5 | 0 | 0 | 0 | 114.7 | Q109 | Q109-P111 WeakPolarHBondContact O-CD 3.35Š|
| 112 | Y | 77.2 | Confident | 87.8 | Confident | 223 Ų | 223 | 68.8 Ų | 68.8 | 88% | 0.875 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -46 | -175.2 | -68.4 | -82.4 | 0 | 0 | 0 | 112.6 | D110 | D110-Y112 PolarHBondContact O-N 3.45Å; D110-Y112 VanDerWaalsContact O-N 3.12Å; D110-Y112 PolarHBondContact OD1-N 2.89Å |
| 113 | S | 84.6 | Confident | 88 | Confident | 82 Ų | 82 | 67.2 Ų | 67.2 | 57% | 0.573 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -16.1 | -176.3 | 62.4 | 0 | 0 | 0 | 0 | 113.7 | D110 A115 | D110-S113 WeakPolarHBondContact CB-OG 3.33Å; D110-S113 WeakPolarHBondContact OD1-CB 3.49Å; D110-S113 PolarHBondContact OD1-N 2.78Å; D110-S113 PolarHBondContact OD1-OG 2.86Å; S113-A115 PolarHBondContact O-N 3.23Å; S113-A115 VanDerWaalsContact O-N 3.14Å; S113-A115 WeakPolarHBondContact OG-CB 3.33Å; S113-A115 PolarHBondContact OG-N 3.17Å |
| 114 | G | 83.5 | Confident | 87.9 | Confident | 36 Ų | 36 | 63.3 Ų | 63.3 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | trans | 68.7 | 0.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q109 D110 | Q109-G114 WeakPolarHBondContact CG-O 3.4Å; Q109-G114 PolarHBondContact NE2-O 3.23Å; D110-G114 VanDerWaalsContact O-CA 3.29Å; D110-G114 WeakPolarHBondContact O-CA 3.47Å; D110-G114 PolarHBondContact O-N 2.82Å | ||
| 115 | A | 86.3 | Confident | 88 | Confident | 46 Ų | 46 | 63.9 Ų | 63.9 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | trans | -70.7 | 147 | 180 | 0 | 0 | 0 | 0 | 0 | 110.9 | D110 S113 V117 | D110-A115 WeakPolarHBondContact CB-O 3.43Å; D110-A115 PolarHBondContact N-O 3.28Å; S113-A115 PolarHBondContact O-N 3.23Å; S113-A115 VanDerWaalsContact O-N 3.14Å; S113-A115 WeakPolarHBondContact OG-CB 3.33Å; S113-A115 PolarHBondContact OG-N 3.17Å; A115-V117 PolarHBondContact O-N 3.17Å | ||
| 116 | I | 85.9 | Confident | 88.3 | Confident | 134 Ų | 134 | 62.9 Ų | 62.9 | 69% | 0.687 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 112 | 170.8 | -59.3 | 175.8 | 0 | 0 | 0 | 107.7 | R108 | R108-I116 WeakPolarHBondContact O-CA 3.19Å |
| 117 | V | 85.2 | Confident | 88.5 | Confident | 46 Ų | 46 | 64.1 Ų | 64.1 | 28% | 0.279 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 152.2 | 175.8 | -62.3 | 0 | 0 | 0 | 0 | 109.9 | R108 D110 A115 | R108-V117 HydrophobicContact CG-CG2 3.59Å; R108-V117 PolarHBondContact N-O 2.8Å; R108-V117 PolarHBondContact O-N 2.83Å; R108-V117 VanDerWaalsContact O-O 3.11Å; D110-V117 HydrophobicContact CB-CG1 3.97Å; D110-V117 HydrophobicContact CB-CG2 4.06Å; A115-V117 PolarHBondContact O-N 3.17Å |
| 118 | R | 90.1 | Very high | 88.9 | Confident | 155 Ų | 155 | 59.8 Ų | 59.8 | 59% | 0.585 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126 | 173.2 | -74.6 | -177.3 | 173 | -117.6 | 0.9 | 109.2 | A106 Q120 Q145 | A106-R118 WeakPolarHBondContact O-CA 3.46Å; R118-Q120 PolarHBondContact O-N 3.46Å; R118-Q145 PolarHBondContact O-NE2 3Å |
| 119 | T | 92.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -56.5 | 117.8 | 174.4 | -55.9 | 0 | 0 | 0 | 0 | 110.1 | A102 D103 G105 A106 R108 L121 Q124 | A102-T119 HydrophobicContact CB-CG2 4.38Å; D103-T119 WeakPolarHBondContact O-CB 3.49Å; G105-T119 PolarHBondContact N-O 2.8Å; A106-T119 PolarHBondContact O-N 2.54Å; A106-T119 PolarHBondContact O-OG1 2.91Å; R108-T119 WeakPolarHBondContact CD-OG1 3.19Å; T119-L121 WeakPolarHBondContact CG2-O 3.46Å; T119-Q124 VanDerWaalsContact CG2-NE2 3.3Å | ||
| 120 | Q | 93.3 | Very high | 90 | Very high | 39 Ų | 39 | 50.6 Ų | 50.6 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | trans | -94.2 | -32.7 | 174.5 | -69.2 | -176.3 | 21 | 0 | 0 | 111.2 | R118 Y142 L143 Q145 E219 | R118-Q120 PolarHBondContact O-N 3.46Å; Q120-Y142 HydrophobicContact CB-CD2 4.31Å; Q120-Y142 HydrophobicContact CB-CE2 4.07Å; Q120-Y142 CarbonylContact O-C 3.43Å; Q120-Y142 VanDerWaalsContact O-CA 3.28Å; Q120-Y142 WeakPolarHBondContact O-CA 3.39Å; Q120-L143 PolarHBondContact O-N 3Å; Q120-Q145 VanDerWaalsContact CG-CD 3.42Å; Q120-Q145 HydrophobicContact CG-CG 4.05Å; Q120-E219 WeakPolarHBondContact CA-OE2 3.08Å; Q120-E219 WeakPolarHBondContact CB-OE2 3.5Å; Q120-E219 PolarHBondContact N-OE2 3.29Å | ||
| 121 | L | 94.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137.1 | -178.7 | -73.1 | 172.1 | 0 | 0 | 0 | 113.1 | T119 Q124 L140 R141 Y142 I214 E219 V221 | T119-L121 WeakPolarHBondContact CG2-O 3.46Å; L121-Q124 PolarHBondContact O-NE2 2.68Å; L121-L140 HydrophobicContact CD2-CD2 3.7Å; L121-L140 HydrophobicContact CD2-CG 4.41Å; L121-R141 WeakPolarHBondContact CA-O 3.47Å; L121-Y142 HydrophobicContact CD2-CD2 3.75Å; L121-Y142 HydrophobicContact CD2-CG 4.2Å; L121-Y142 HydrophobicContact CG-CD2 4.17Å; L121-I214 HydrophobicContact CD1-CG1 4.4Å; L121-I214 HydrophobicContact CD2-CG1 3.75Å; L121-E219 HydrophobicContact CB-CG 4.09Å; L121-E219 HydrophobicContact CD1-CB 4.13Å; L121-E219 HydrophobicContact CD1-CG 4.24Å; L121-E219 WeakPolarHBondContact CD1-O 3.47Å; L121-E219 PolarHBondContact N-OE2 2.64Å; L121-V221 HydrophobicContact CB-CG2 4.41Å |
| 122 | Q | 95.4 | Very high | 91.7 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 136.7 | 175.6 | 177.4 | -177.7 | 16.7 | 0 | 0 | 109.6 | N101 A102 D103 V104 L140 R141 | N101-Q122 WeakPolarHBondContact OD1-CG 3.35Å; N101-Q122 PolarHBondContact OD1-NE2 2.7Å; A102-Q122 WeakPolarHBondContact O-CG 3.37Å; D103-Q122 PolarHBondContact OD1-NE2 3.24Å; V104-Q122 HydrophobicContact CG1-CB 3.7Å; Q122-L140 CarbonylContact O-C 3.59Å; Q122-L140 VanDerWaalsContact O-CA 3.29Å; Q122-L140 WeakPolarHBondContact O-CA 3.47Å; Q122-R141 HydrophobicContact CB-CB 4.34Å; Q122-R141 PolarHBondContact N-O 3.3Å; Q122-R141 PolarHBondContact O-N 2.75Å |
| 123 | P | 97 | Very high | 92.4 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | cis | -67.2 | 173.1 | -14.8 | 31.6 | -37.4 | 0 | 0 | 0 | 111.7 | F98 Q100 N101 V126 F138 V221 | F98-P123 HydrophobicContact CD1-CB 3.89Å; F98-P123 HydrophobicContact CD1-CG 3.81Å; F98-P123 HydrophobicContact CE1-CG 4.04Å; Q100-P123 WeakPolarHBondContact O-CB 3.13Å; N101-P123 HydrophobicContact CB-CB 4.25Å; P123-V126 HydrophobicContact CB-CG2 4.01Å; P123-V126 HydrophobicContact CG-CG2 3.27Å; P123-F138 HydrophobicContact CG-CD2 4.4Å; P123-F138 HydrophobicContact CG-CE2 4.44Å; P123-V221 HydrophobicContact CG-CG1 4.42Å; P123-V221 WeakPolarHBondContact O-CG2 3.22Å | ||
| 124 | Q | 93.9 | Very high | 92.8 | Very high | 21 Ų | 21 | 34.7 Ų | 34.7 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -99.5 | -29.3 | 175.1 | -57.3 | 77.1 | 43.1 | 0 | 0 | 112.1 | Q100 A102 T119 L121 V221 A222 | Q100-Q124 VanDerWaalsContact C-OE1 3.24Å; Q100-Q124 HydrophobicContact CB-CB 4.01Å; Q100-Q124 PolarHBondContact O-N 2.61Å; Q100-Q124 PolarHBondContact O-OE1 3.26Å; A102-Q124 PolarHBondContact O-NE2 3.24Å; T119-Q124 VanDerWaalsContact CG2-NE2 3.3Å; L121-Q124 PolarHBondContact O-NE2 2.68Å; Q124-V221 WeakPolarHBondContact O-CA 3.04Å; Q124-A222 PolarHBondContact O-N 3.33Å |
| 125 | Q | 96.5 | Very high | 93.3 | Very high | 38 Ų | 38 | 35.2 Ų | 35.2 | 18% | 0.178 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 125.3 | -179.9 | -162.9 | -179 | -1.6 | 0 | 0 | 110.7 | L99 Q100 A222 Y224 | L99-Q125 HydrophobicContact CB-CB 4Å; L99-Q125 HydrophobicContact CB-CG 3.89Å; L99-Q125 HydrophobicContact CD1-CG 4.05Å; L99-Q125 HydrophobicContact CG-CG 4.46Å; L99-Q125 PolarHBondContact N-O 2.77Å; Q100-Q125 HydrophobicContact CB-CB 3.77Å; Q100-Q125 HydrophobicContact CG-CB 4.01Å; Q100-Q125 PolarHBondContact N-O 3.11Å; Q100-Q125 PolarHBondContact O-N 2.96Å; Q100-Q125 VanDerWaalsContact O-N 3.08Å; Q125-A222 WeakPolarHBondContact CA-O 3.45Å; Q125-A222 HydrophobicContact CG-CB 4.42Å; Q125-Y224 HydrophobicContact CG-CD2 4.05Å; Q125-Y224 HydrophobicContact CG-CE2 3.58Å |
| 126 | V | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132 | -177.8 | -171.8 | 0 | 0 | 0 | 0 | 109.1 | V96 F98 P123 I128 F138 V221 A222 L223 Y224 | V96-V126 HydrophobicContact CG2-CG1 3.73Å; F98-V126 HydrophobicContact CD1-CG1 4.35Å; F98-V126 HydrophobicContact CD1-CG2 4.08Å; F98-V126 HydrophobicContact CE1-CG1 4.39Å; F98-V126 HydrophobicContact CE1-CG2 4.38Å; P123-V126 HydrophobicContact CB-CG2 4.01Å; P123-V126 HydrophobicContact CG-CG2 3.27Å; V126-I128 HydrophobicContact CG1-CD1 4.47Å; V126-I128 HydrophobicContact CG1-CG1 4.01Å; V126-F138 HydrophobicContact CG1-CD1 4.44Å; V126-F138 HydrophobicContact CG1-CE1 4.37Å; V126-F138 HydrophobicContact CG2-CE2 4.14Å; V126-F138 HydrophobicContact CG2-CZ 4.33Å; V126-V221 HydrophobicContact CG2-CG1 3.96Å; V126-A222 PolarHBondContact N-O 2.82Å; V126-L223 HydrophobicContact CB-CD1 3.76Å; V126-L223 HydrophobicContact CG1-CD1 3.82Å; V126-L223 WeakPolarHBondContact O-CA 3.44Å; V126-Y224 PolarHBondContact O-N 3.48Å |
| 127 | Q | 97.5 | Very high | 94.3 | Very high | 61 Ų | 61 | 30.3 Ų | 30.3 | 29% | 0.285 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.6 | 171.8 | -177.2 | 167.6 | 57.8 | 0 | 0 | 109.2 | E97 L99 Y224 N226 | E97-Q127 HydrophobicContact CB-CB 4.5Å; E97-Q127 PolarHBondContact N-O 3.08Å; E97-Q127 PolarHBondContact O-N 3.45Å; L99-Q127 HydrophobicContact CD1-CB 3.87Å; L99-Q127 HydrophobicContact CD2-CB 4.36Å; L99-Q127 HydrophobicContact CG-CB 3.98Å; Q127-Y224 CarbonylContact C-O 3.34Å; Q127-Y224 WeakPolarHBondContact CA-O 3.4Å; Q127-N226 PolarHBondContact NE2-ND2 2.88Å |
| 128 | I | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.4 | 178.4 | -58.9 | -173.2 | 0 | 0 | 0 | 107.6 | K95 V96 V126 M130 I136 F138 V197 L223 Y224 V225 N226 | K95-I128 WeakPolarHBondContact O-CA 3.43Å; V96-I128 HydrophobicContact CG2-CG1 4.17Å; V126-I128 HydrophobicContact CG1-CD1 4.47Å; V126-I128 HydrophobicContact CG1-CG1 4.01Å; I128-M130 HydrophobicContact CG2-CB 4Å; I128-M130 HydrophobicContact CG2-CG 4.08Å; I128-M130 HydrophobicContact CG2-SD 3.87Å; I128-I136 HydrophobicContact CD1-CB 4.5Å; I128-I136 HydrophobicContact CD1-CG2 3.95Å; I128-I136 HydrophobicContact CG1-CG2 4.49Å; I128-I136 HydrophobicContact CG2-CB 4.3Å; I128-I136 HydrophobicContact CG2-CD1 3.68Å; I128-I136 HydrophobicContact CG2-CG2 4.35Å; I128-F138 HydrophobicContact CD1-CD1 4.32Å; I128-F138 HydrophobicContact CD1-CE1 4.16Å; I128-V197 HydrophobicContact CD1-CB 4.05Å; I128-V197 HydrophobicContact CD1-CG1 4.34Å; I128-V197 HydrophobicContact CD1-CG2 3.91Å; I128-L223 HydrophobicContact CD1-CD1 3.58Å; I128-L223 HydrophobicContact CG1-CD1 3.81Å; I128-Y224 PolarHBondContact N-O 2.79Å; I128-V225 CarbonylContact O-C 3.49Å; I128-N226 PolarHBondContact O-N 3.09Å |
| 129 | A | 95.3 | Very high | 95.1 | Very high | 17 Ų | 17 | 24.1 Ų | 24.1 | 14% | 0.14 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | S94 K95 N226 I228 | S94-A129 CarbonylContact C-O 3.38Å; S94-A129 WeakPolarHBondContact CA-O 3.37Å; K95-A129 HydrophobicContact CG-CB 3.94Å; K95-A129 PolarHBondContact N-O 2.88Å; K95-A129 PolarHBondContact O-N 3.14Å; A129-N226 VanDerWaalsContact CA-O 3.27Å; A129-N226 WeakPolarHBondContact CA-O 3.35Å; A129-I228 HydrophobicContact CB-CD1 4.09Å; A129-I228 HydrophobicContact CB-CG1 4.29Å |
| 130 | M | 94.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 149.1 | -174.4 | 66.7 | -173.9 | -51.1 | 0 | 0 | 114.6 | S94 I128 D134 I136 V197 L199 V225 N226 P227 I228 | S94-M130 WeakPolarHBondContact OG-CA 3.39Å; I128-M130 HydrophobicContact CG2-CB 4Å; I128-M130 HydrophobicContact CG2-CG 4.08Å; I128-M130 HydrophobicContact CG2-SD 3.87Å; M130-D134 HydrophobicContact CE-CB 4.39Å; M130-D134 WeakPolarHBondContact CE-O 3.27Å; M130-I136 HydrophobicContact CB-CD1 4.37Å; M130-V197 WeakPolarHBondContact CE-O 3.37Å; M130-V197 HydrophobicContact SD-CG1 4.18Å; M130-L199 HydrophobicContact CE-CB 3.86Å; M130-L199 HydrophobicContact CG-CB 3.78Å; M130-L199 HydrophobicContact CG-CD2 4.01Å; M130-L199 HydrophobicContact CG-CG 4.5Å; M130-L199 WeakPolarHBondContact O-CD2 3.49Å; M130-L199 HydrophobicContact SD-CB 3.71Å; M130-V225 HydrophobicContact CG-CG1 4.1Å; M130-V225 HydrophobicContact SD-CG1 3.8Å; M130-N226 PolarHBondContact N-O 3.43Å; M130-P227 WeakPolarHBondContact O-CA 3.48Å; M130-I228 PolarHBondContact O-N 3.25Å |
| 131 | K | 94 | Very high | 95.4 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | trans | -80.9 | 152.2 | 173 | -73.3 | -173.7 | -68.4 | -159.9 | 0 | 111.9 | I54 P58 H91 P92 S94 D134 I228 | I54-K131 HydrophobicContact CB-CD 4.07Å; P58-K131 WeakPolarHBondContact O-CE 3.21Å; P58-K131 PolarHBondContact O-NZ 3.22Å; H91-K131 PolarHBondContact CD2-NZ 3.17Å; H91-K131 VanDerWaalsContact CD2-NZ 3.26Å; H91-K131 PolarHBondContact NE2-NZ 3.15Å; P92-K131 HydrophobicContact CG-CD 4.32Å; P92-K131 WeakPolarHBondContact O-CD 3.45Å; P92-K131 WeakPolarHBondContact O-CE 2.97Å; P92-K131 PolarHBondContact O-NZ 3.28Å; S94-K131 PolarHBondContact OG-N 2.95Å; S94-K131 VanDerWaalsContact OG-N 3.09Å; K131-D134 WeakPolarHBondContact O-CB 3.14Å; K131-D134 PolarHBondContact O-N 3.12Å; K131-I228 HydrophobicContact CG-CB 4.01Å; K131-I228 HydrophobicContact CG-CG2 4.22Å | ||
| 132 | P | 92.7 | Very high | 95.5 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 140.1 | 169.5 | -25.9 | 36.5 | 0 | 0 | 0 | 112.1 | K55 D134 L199 C202 | K55-P132 HydrophobicContact CG-CG 4.33Å; P132-D134 PolarHBondContact O-N 3.03Å; P132-L199 CarbonylContact C-O 3.52Å; P132-L199 HydrophobicContact CG-CD2 4.14Å; P132-C202 WeakPolarHBondContact CG-SG 3.36Å |
| 133 | G | 92.1 | Very high | 95.5 | Very high | 62 Ų | 62 | 27 Ų | 27 | 64% | 0.639 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -12.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L199 | G133-L199 PolarHBondContact N-O 3.12Š|
| 134 | D | 94 | Very high | 95.3 | Very high | 44 Ų | 44 | 27 Ų | 27 | 24% | 0.235 | 17% | 0.166 | C | C | . | . | trans | -83.5 | 162.5 | 178.8 | -151.6 | -8.6 | 0 | 0 | 0 | 112.4 | P58 S94 M130 K131 P132 K198 L199 | P58-D134 HydrophobicContact CB-CB 4.07Å; P58-D134 HydrophobicContact CG-CB 3.66Å; S94-D134 WeakPolarHBondContact CB-OD2 3.49Å; S94-D134 PolarHBondContact OG-OD2 3.05Å; M130-D134 HydrophobicContact CE-CB 4.39Å; M130-D134 WeakPolarHBondContact CE-O 3.27Å; K131-D134 WeakPolarHBondContact O-CB 3.14Å; K131-D134 PolarHBondContact O-N 3.12Å; P132-D134 PolarHBondContact O-N 3.03Å; D134-K198 WeakPolarHBondContact O-CA 3.47Å; D134-L199 PolarHBondContact O-N 2.84Å | ||
| 135 | A | 94.3 | Very high | 95.2 | Very high | 47 Ų | 47 | 28.5 Ų | 28.5 | 39% | 0.388 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 124 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | V197 K198 | A135-V197 CarbonylContact C-O 3.56Å; A135-V197 WeakPolarHBondContact CA-O 3.4Å; A135-K198 HydrophobicContact CB-CD 4.36Å; A135-K198 HydrophobicContact CB-CG 3.66Å |
| 136 | I | 95.7 | Very high | 94.8 | Very high | 17 Ų | 17 | 29.9 Ų | 29.9 | 9% | 0.087 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134.4 | 173.5 | -78.1 | 179.4 | 0 | 0 | 0 | 109.1 | V96 I128 M130 V197 | V96-I136 HydrophobicContact CB-CG2 3.86Å; V96-I136 HydrophobicContact CG1-CG2 4.26Å; V96-I136 HydrophobicContact CG2-CG2 4.39Å; I128-I136 HydrophobicContact CD1-CB 4.5Å; I128-I136 HydrophobicContact CD1-CG2 3.95Å; I128-I136 HydrophobicContact CG1-CG2 4.49Å; I128-I136 HydrophobicContact CG2-CB 4.3Å; I128-I136 HydrophobicContact CG2-CD1 3.68Å; I128-I136 HydrophobicContact CG2-CG2 4.35Å; M130-I136 HydrophobicContact CB-CD1 4.37Å; I136-V197 PolarHBondContact N-O 2.73Å; I136-V197 PolarHBondContact O-N 2.82Å |
| 137 | S | 95.8 | Very high | 94.3 | Very high | 61 Ų | 61 | 40.8 Ų | 40.8 | 43% | 0.427 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 141.8 | 178 | -55 | 0 | 0 | 0 | 0 | 111.7 | N194 V195 S196 | S137-N194 WeakPolarHBondContact CB-OD1 2.95Å; S137-V195 VanDerWaalsContact CA-O 3.25Å; S137-V195 WeakPolarHBondContact CA-O 3.49Å; S137-S196 PolarHBondContact OG-OG 2.74Å |
| 138 | F | 96.7 | Very high | 94 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 4% | 0.039 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 154.1 | 172.9 | 65.9 | -89.4 | 0 | 0 | 0 | 110.9 | F98 P123 V126 I128 V195 V197 L223 | F98-F138 HydrophobicContact CE1-CB 4.04Å; F98-F138 HydrophobicContact CE1-CD2 4.46Å; F98-F138 HydrophobicContact CE1-CG 4.4Å; F98-F138 HydrophobicContact CZ-CB 4.05Å; P123-F138 HydrophobicContact CG-CD2 4.4Å; P123-F138 HydrophobicContact CG-CE2 4.44Å; V126-F138 HydrophobicContact CG1-CD1 4.44Å; V126-F138 HydrophobicContact CG1-CE1 4.37Å; V126-F138 HydrophobicContact CG2-CE2 4.14Å; V126-F138 HydrophobicContact CG2-CZ 4.33Å; I128-F138 HydrophobicContact CD1-CD1 4.32Å; I128-F138 HydrophobicContact CD1-CE1 4.16Å; F138-V195 HydrophobicContact CD1-CB 4.39Å; F138-V195 HydrophobicContact CD2-CB 4.43Å; F138-V195 HydrophobicContact CE1-CB 3.99Å; F138-V195 HydrophobicContact CE1-CG1 3.94Å; F138-V195 HydrophobicContact CE2-CB 4.03Å; F138-V195 HydrophobicContact CE2-CG1 4.49Å; F138-V195 HydrophobicContact CE2-CG2 4.1Å; F138-V195 HydrophobicContact CZ-CB 3.8Å; F138-V195 HydrophobicContact CZ-CG1 3.8Å; F138-V195 HydrophobicContact CZ-CG2 4.22Å; F138-V195 PolarHBondContact N-O 2.82Å; F138-V195 VanDerWaalsContact N-O 3.08Å; F138-V195 PolarHBondContact O-N 3.05Å; F138-V197 HydrophobicContact CE1-CG2 3.91Å; F138-L223 HydrophobicContact CE1-CD1 4.09Å; F138-L223 HydrophobicContact CZ-CD1 4.31Å |
| 139 | S | 95.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 45.7 Ų | 45.7 | 43% | 0.427 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 121.4 | 179 | -173.8 | 0 | 0 | 0 | 0 | 111 | ||
| 140 | L | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129.9 | 166 | -178.8 | 159.5 | 0 | 0 | 0 | 108.9 | L121 Q122 I154 S192 F193 V195 V212 V221 | L121-L140 HydrophobicContact CD2-CD2 3.7Å; L121-L140 HydrophobicContact CD2-CG 4.41Å; Q122-L140 CarbonylContact O-C 3.59Å; Q122-L140 VanDerWaalsContact O-CA 3.29Å; Q122-L140 WeakPolarHBondContact O-CA 3.47Å; L140-I154 HydrophobicContact CD1-CD1 4.31Å; L140-I154 HydrophobicContact CD2-CD1 4.1Å; L140-S192 CarbonylContact O-C 3.52Å; L140-S192 VanDerWaalsContact O-CA 3.3Å; L140-S192 WeakPolarHBondContact O-CA 3.43Å; L140-F193 HydrophobicContact CD2-CD2 4.08Å; L140-F193 PolarHBondContact N-O 3.16Å; L140-F193 PolarHBondContact O-N 2.02Å; L140-V195 HydrophobicContact CB-CG2 3.92Å; L140-V212 HydrophobicContact CD1-CG1 3.85Å; L140-V221 HydrophobicContact CD1-CG2 3.72Å; L140-V221 HydrophobicContact CG-CG2 4.34Å |
| 141 | R | 96.6 | Very high | 93.6 | Very high | 91 Ų | 91 | 54.3 Ų | 54.3 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 135.6 | 178.1 | -59.6 | 178.3 | 66.9 | -157.5 | 4.8 | 110.1 | V104 L121 Q122 V190 V191 | V104-R141 HydrophobicContact CG1-CB 3.88Å; V104-R141 WeakPolarHBondContact CG1-O 3.36Å; L121-R141 WeakPolarHBondContact CA-O 3.47Å; Q122-R141 HydrophobicContact CB-CB 4.34Å; Q122-R141 PolarHBondContact N-O 3.3Å; Q122-R141 PolarHBondContact O-N 2.75Å; R141-V190 HydrophobicContact CB-CG1 4.39Å; R141-V191 WeakPolarHBondContact CA-O 3.2Å |
| 142 | Y | 96.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 126.8 | 178.8 | 172.7 | -115.2 | 0 | 0 | 0 | 110.8 | Q120 L121 H144 I152 V190 V191 I214 V217 | Q120-Y142 HydrophobicContact CB-CD2 4.31Å; Q120-Y142 HydrophobicContact CB-CE2 4.07Å; Q120-Y142 CarbonylContact O-C 3.43Å; Q120-Y142 VanDerWaalsContact O-CA 3.28Å; Q120-Y142 WeakPolarHBondContact O-CA 3.39Å; L121-Y142 HydrophobicContact CD2-CD2 3.75Å; L121-Y142 HydrophobicContact CD2-CG 4.2Å; L121-Y142 HydrophobicContact CG-CD2 4.17Å; Y142-H144 HydrophobicContact CE1-CB 3.86Å; Y142-H144 AromaticContact CE1-ND1 3.82Å; Y142-H144 AromaticContact CZ-ND1 3.87Å; Y142-H144 PolarHBondContact OH-ND1 3.08Å; Y142-H144 VanDerWaalsContact OH-ND1 3.1Å; Y142-I152 HydrophobicContact CD1-CG1 4.46Å; Y142-I152 HydrophobicContact CD1-CG2 4.04Å; Y142-I152 HydrophobicContact CE1-CD1 3.73Å; Y142-I152 HydrophobicContact CE1-CG1 4.06Å; Y142-I152 HydrophobicContact CE1-CG2 4.23Å; Y142-V190 VanDerWaalsContact O-CA 3.29Å; Y142-V190 WeakPolarHBondContact O-CA 3.31Å; Y142-V191 HydrophobicContact CD1-CG2 3.85Å; Y142-V191 HydrophobicContact CG-CG2 4.45Å; Y142-V191 PolarHBondContact N-O 2.01Å; Y142-V191 PolarHBondContact O-N 2.78Å; Y142-I214 HydrophobicContact CD1-CG1 4.41Å; Y142-I214 HydrophobicContact CD2-CG1 3.87Å; Y142-I214 HydrophobicContact CE1-CG2 4.37Å; Y142-I214 HydrophobicContact CE2-CG1 4.31Å; Y142-I214 HydrophobicContact CG-CD1 4.24Å; Y142-I214 HydrophobicContact CG-CG1 3.93Å; Y142-V217 HydrophobicContact CE2-CG1 4.47Å; Y142-V217 HydrophobicContact CE2-CG2 3.88Å |
| 143 | L | 94.9 | Very high | 93.8 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 115.6 | 171.6 | 171.1 | 66.2 | 0 | 0 | 0 | 110.1 | V104 Q120 Q145 V190 | V104-L143 HydrophobicContact CB-CB 3.99Å; V104-L143 HydrophobicContact CG1-CB 4.41Å; Q120-L143 PolarHBondContact O-N 3Å; L143-Q145 HydrophobicContact CD2-CG 4.46Å; L143-Q145 HydrophobicContact CG-CG 4.28Å; L143-Q145 PolarHBondContact O-N 3.39Å; L143-V190 HydrophobicContact CB-CG2 4.35Å; L143-V190 HydrophobicContact CD1-CG2 3.78Å |
| 144 | H | 93.7 | Very high | 94 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | trans | -78.5 | 121.4 | 177.8 | -169.7 | 61.3 | 0 | 0 | 0 | 111.6 | Y142 D148 V185 S186 S188 D189 | Y142-H144 HydrophobicContact CE1-CB 3.86Å; Y142-H144 AromaticContact CE1-ND1 3.82Å; Y142-H144 AromaticContact CZ-ND1 3.87Å; Y142-H144 PolarHBondContact OH-ND1 3.08Å; Y142-H144 VanDerWaalsContact OH-ND1 3.1Å; H144-D148 PolarHBondContact NE2-O 3Å; H144-V185 HydrophobicContact CB-CG1 3.76Å; H144-S186 PolarHBondContact CD2-O 2.87Å; H144-S188 WeakPolarHBondContact O-CA 2.99Å; H144-S188 PolarHBondContact O-N 2.93Å; H144-D189 PolarHBondContact N-O 2.94Å | ||
| 145 | Q | 90.3 | Very high | 94 | Very high | 54 Ų | 54 | 59.1 Ų | 59.1 | 25% | 0.252 | 29% | 0.294 | S | S | . | . | trans | -109.4 | -14.7 | -175.6 | -68.3 | -179.3 | 0.5 | 0 | 0 | 114.1 | R118 Q120 L143 H187 | R118-Q145 PolarHBondContact O-NE2 3Å; Q120-Q145 VanDerWaalsContact CG-CD 3.42Å; Q120-Q145 HydrophobicContact CG-CG 4.05Å; L143-Q145 HydrophobicContact CD2-CG 4.46Å; L143-Q145 HydrophobicContact CG-CG 4.28Å; L143-Q145 PolarHBondContact O-N 3.39Å; Q145-H187 PolarHBondContact O-CE1 3.09Å; Q145-H187 VanDerWaalsContact O-CE1 3.23Å; Q145-H187 PolarHBondContact O-ND1 3.46Å; Q145-H187 VanDerWaalsContact O-ND1 3.11Å | ||
| 146 | D | 88.1 | Confident | 94.1 | Very high | 67 Ų | 67 | 59.8 Ų | 59.8 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -68.1 | 157.1 | 176.7 | -67.2 | -9.3 | 0 | 0 | 0 | 110.1 | R150 H187 | D146-R150 IonicContact OD2-CZ 2.72Å; D146-R150 VanDerWaalsContact OD2-CZ 3.29Å; D146-R150 IonicContact OD2-NH1 3.5Å; D146-R150 PolarHBondContact OD2-NH1 2.99Å; D146-R150 IonicContact OD2-NH2 3.34Å; D146-H187 VanDerWaalsContact O-CB 3.32Å; D146-H187 WeakPolarHBondContact O-CB 3.48Å; D146-H187 PolarHBondContact O-ND1 2.68Å |
| 147 | R | 89.3 | Confident | 94 | Very high | 229 Ų | 229 | 61.1 Ų | 61.1 | 86% | 0.864 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -77.4 | -29.8 | 179.5 | -68.2 | -176.7 | 178.7 | -177 | -0.4 | 112.5 | ||
| 148 | D | 89.7 | Confident | 93.8 | Very high | 97 Ų | 97 | 64.7 Ų | 64.7 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -84.1 | 140.5 | -176.5 | -54.3 | -41 | 0 | 0 | 0 | 110 | H144 R150 | H144-D148 PolarHBondContact NE2-O 3Å; D148-R150 PolarHBondContact O-N 3.24Å; D148-R150 IonicContact OD2-NH2 3.1Å |
| 149 | S | 92.3 | Very high | 93.5 | Very high | 66 Ų | 66 | 65 Ų | 65 | 46% | 0.462 | 31% | 0.314 | S | S | . | . | trans | -67.5 | 132.2 | 168 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | S184 V185 | S149-S184 VanDerWaalsContact OG-C 3.26Å; S149-S184 WeakPolarHBondContact OG-CA 3.31Å; S149-S184 PolarHBondContact OG-O 3.46Å; S149-V185 VanDerWaalsContact CA-O 3.26Å; S149-V185 WeakPolarHBondContact CA-O 3.36Å | ||
| 150 | R | 92.7 | Very high | 92.8 | Very high | 117 Ų | 117 | 69 Ų | 69 | 44% | 0.442 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 154.9 | -179.4 | -66.8 | -173.1 | -179 | 162.4 | 10.9 | 112.8 | D146 D148 I152 V185 | D146-R150 IonicContact OD2-CZ 2.72Å; D146-R150 VanDerWaalsContact OD2-CZ 3.29Å; D146-R150 IonicContact OD2-NH1 3.5Å; D146-R150 PolarHBondContact OD2-NH1 2.99Å; D146-R150 IonicContact OD2-NH2 3.34Å; D148-R150 PolarHBondContact O-N 3.24Å; D148-R150 IonicContact OD2-NH2 3.1Å; R150-I152 HydrophobicContact CB-CD1 4.48Å; R150-V185 PolarHBondContact N-O 2.73Å; R150-V185 WeakPolarHBondContact O-CB 3.44Å; R150-V185 PolarHBondContact O-N 3.34Å |
| 151 | D | 93.8 | Very high | 92.2 | Very high | 82 Ų | 82 | 72.3 Ų | 72.3 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 125 | 169.5 | -77.2 | -6 | 0 | 0 | 0 | 109.3 | Y153 F181 P183 S184 | D151-Y153 HydrophobicContact CB-CE2 3.83Å; D151-F181 HydrophobicContact CB-CE2 3.87Å; D151-P183 WeakPolarHBondContact OD1-CA 3.46Å; D151-S184 PolarHBondContact OD1-N 2.99Å |
| 152 | I | 95.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 70.2 Ų | 70.2 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.7 | -172.9 | -61.6 | -57.1 | 0 | 0 | 0 | 109.6 | Y142 R150 F181 C182 V185 F193 I214 | Y142-I152 HydrophobicContact CD1-CG1 4.46Å; Y142-I152 HydrophobicContact CD1-CG2 4.04Å; Y142-I152 HydrophobicContact CE1-CD1 3.73Å; Y142-I152 HydrophobicContact CE1-CG1 4.06Å; Y142-I152 HydrophobicContact CE1-CG2 4.23Å; R150-I152 HydrophobicContact CB-CD1 4.48Å; I152-F181 WeakPolarHBondContact O-CA 3.45Å; I152-F181 WeakPolarHBondContact O-CD2 3.43Å; I152-C182 HydrophobicContact CB-CB 4.49Å; I152-C182 PolarHBondContact N-O 2.91Å; I152-C182 PolarHBondContact O-N 3.27Å; I152-V185 HydrophobicContact CB-CG2 4.03Å; I152-V185 HydrophobicContact CG1-CB 3.66Å; I152-V185 HydrophobicContact CG1-CG1 4.19Å; I152-V185 HydrophobicContact CG1-CG2 3.5Å; I152-V185 VanDerWaalsContact CG1-CG2 3.5Å; I152-F193 HydrophobicContact CG2-CE2 4.32Å; I152-F193 HydrophobicContact CG2-CZ 4.04Å; I152-I214 HydrophobicContact CD1-CG2 4.35Å; I152-I214 HydrophobicContact CG2-CD1 3.76Å; I152-I214 HydrophobicContact CG2-CG2 3.72Å |
| 153 | Y | 96 | Very high | 91.4 | Very high | 109 Ų | 109 | 70.2 Ų | 70.2 | 43% | 0.427 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.7 | 177.3 | -60.9 | -93.1 | 0 | 0 | 0 | 110.3 | D151 N180 F181 G215 | D151-Y153 HydrophobicContact CB-CE2 3.83Å; Y153-N180 CarbonylContact C-O 3.46Å; Y153-N180 WeakPolarHBondContact CA-O 3.41Å; Y153-F181 HydrophobicContact CD1-CB 4.08Å; Y153-F181 AromaticContact CD1-CD2 3.66Å; Y153-F181 HydrophobicContact CD1-CD2 3.66Å; Y153-F181 HydrophobicContact CD1-CG 4.26Å; Y153-F181 HydrophobicContact CD2-CD2 4.33Å; Y153-F181 HydrophobicContact CE1-CB 4.1Å; Y153-F181 AromaticContact CE1-CD2 3.2Å; Y153-F181 HydrophobicContact CE1-CD2 3.2Å; Y153-F181 AromaticContact CE1-CE2 3.79Å; Y153-F181 HydrophobicContact CE1-CE2 3.79Å; Y153-F181 AromaticContact CE1-CG 3.87Å; Y153-F181 HydrophobicContact CE1-CG 3.87Å; Y153-F181 AromaticContact CE2-CD2 3.94Å; Y153-F181 HydrophobicContact CE2-CD2 3.94Å; Y153-F181 AromaticContact CE2-CE2 3.97Å; Y153-F181 HydrophobicContact CE2-CE2 3.97Å; Y153-F181 HydrophobicContact CG-CD2 4.21Å; Y153-F181 AromaticContact CZ-CD2 3.35Å; Y153-F181 AromaticContact CZ-CE2 3.44Å; Y153-F181 VanDerWaalsContact CZ-CE2 3.44Å; Y153-F181 WeakPolarHBondContact OH-CE2 3.45Å; Y153-G215 PolarHBondContact O-N 2.85Å |
| 154 | I | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 135.9 | 166.3 | -74.5 | -177 | 0 | 0 | 0 | 109.9 | L140 Y168 N180 F193 V212 G213 I214 | L140-I154 HydrophobicContact CD1-CD1 4.31Å; L140-I154 HydrophobicContact CD2-CD1 4.1Å; I154-Y168 HydrophobicContact CD1-CD1 4.31Å; I154-Y168 HydrophobicContact CD1-CE1 4.42Å; I154-Y168 HydrophobicContact CG2-CD1 4.1Å; I154-Y168 HydrophobicContact CG2-CE1 3.51Å; I154-Y168 HydrophobicContact CG2-CE2 4.23Å; I154-N180 HydrophobicContact CB-CB 4.13Å; I154-N180 PolarHBondContact N-O 2.99Å; I154-N180 PolarHBondContact O-ND2 2.02Å; I154-F193 HydrophobicContact CD1-CB 3.32Å; I154-F193 HydrophobicContact CD1-CD1 3.53Å; I154-F193 HydrophobicContact CD1-CD2 3.39Å; I154-F193 HydrophobicContact CD1-CE1 4.11Å; I154-F193 HydrophobicContact CD1-CE2 3.95Å; I154-F193 HydrophobicContact CD1-CG 3.13Å; I154-F193 HydrophobicContact CD1-CZ 4.29Å; I154-F193 HydrophobicContact CG1-CD1 4.07Å; I154-F193 HydrophobicContact CG1-CD2 4Å; I154-F193 HydrophobicContact CG1-CE1 4.14Å; I154-F193 HydrophobicContact CG1-CE2 4.04Å; I154-F193 HydrophobicContact CG1-CG 4Å; I154-F193 HydrophobicContact CG1-CZ 4.12Å; I154-V212 HydrophobicContact CG2-CG1 3.68Å; I154-G213 WeakPolarHBondContact CA-O 3.37Å; I154-I214 HydrophobicContact CD1-CD1 4.46Å; I154-I214 HydrophobicContact CG1-CD1 3.56Å |
| 155 | L | 95.1 | Very high | 91.3 | Very high | 102 Ų | 102 | 70.3 Ų | 70.3 | 53% | 0.534 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 149.3 | 172.4 | -57.5 | 173.9 | 0 | 0 | 0 | 109.1 | V212 G213 | L155-V212 WeakPolarHBondContact O-CA 3.21Å; L155-G213 PolarHBondContact N-O 2.88Å; L155-G213 PolarHBondContact O-N 3.16Å |
| 156 | N | 95.3 | Very high | 91.5 | Very high | 61 Ų | 61 | 68.8 Ų | 68.8 | 33% | 0.326 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 156.7 | 170.1 | 58.4 | -88.7 | 0 | 0 | 0 | 111.8 | T159 Y168 V210 S211 V212 | N156-T159 WeakPolarHBondContact ND2-CG2 3.41Å; N156-Y168 WeakPolarHBondContact CB-OH 3.32Å; N156-Y168 VanDerWaalsContact CG-OH 3.27Å; N156-Y168 PolarHBondContact OD1-OH 2.04Å; N156-V210 HydrophobicContact CB-CG1 4.07Å; N156-S211 CarbonylContact C-O 3.32Å; N156-S211 WeakPolarHBondContact CA-O 3.25Å; N156-V212 HydrophobicContact CB-CG2 4.12Å |
| 157 | S | 94.4 | Very high | 91.8 | Very high | 45 Ų | 45 | 70 Ų | 70 | 32% | 0.315 | 34% | 0.342 | S | S | . | . | trans | -64 | 165.7 | 168.9 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | T159 V210 S211 | S157-T159 WeakPolarHBondContact O-CG2 3.42Å; S157-T159 PolarHBondContact O-N 3.17Å; S157-V210 WeakPolarHBondContact OG-CA 3.48Å; S157-S211 PolarHBondContact N-O 2.04Å; S157-S211 PolarHBondContact OG-N 2.89Å | ||
| 158 | E | 90.3 | Very high | 92.2 | Very high | 136 Ų | 136 | 60.5 Ų | 60.5 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | trans | -55.1 | 127.9 | 179.1 | -168.8 | -167.7 | 145.1 | 0 | 0 | 111.9 | S161 | E158-S161 WeakPolarHBondContact OE1-CB 3.42Å; E158-S161 PolarHBondContact OE1-OG 2.97Å | ||
| 159 | T | 90.7 | Very high | 92.5 | Very high | 15 Ų | 15 | 59.9 Ų | 59.9 | 9% | 0.092 | 30% | 0.301 | C | S | . | . | trans | -117.6 | -21.5 | -178.5 | 66.9 | 0 | 0 | 0 | 0 | 113.9 | N156 S157 S161 Q162 G163 V164 I166 V210 | N156-T159 WeakPolarHBondContact ND2-CG2 3.41Å; S157-T159 WeakPolarHBondContact O-CG2 3.42Å; S157-T159 PolarHBondContact O-N 3.17Å; T159-S161 PolarHBondContact O-N 3.2Å; T159-Q162 WeakPolarHBondContact O-CB 3.35Å; T159-Q162 PolarHBondContact O-N 2.92Å; T159-Q162 VanDerWaalsContact O-N 3.08Å; T159-G163 PolarHBondContact O-N 3.14Å; T159-V164 CarbonylContact C-O 3.59Å; T159-V164 WeakPolarHBondContact CB-O 3.41Å; T159-V164 PolarHBondContact O-N 2.92Å; T159-V164 VanDerWaalsContact O-N 3.14Å; T159-V164 PolarHBondContact OG1-O 3.31Å; T159-I166 HydrophobicContact CG2-CD1 3.96Å; T159-I166 HydrophobicContact CG2-CG1 4.28Å; T159-V210 HydrophobicContact CG2-CG1 3.76Å; T159-V210 HydrophobicContact CG2-CG2 3.86Å | ||
| 160 | E | 81.9 | Confident | 92.7 | Very high | 145 Ų | 145 | 56.8 Ų | 56.8 | 68% | 0.678 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -41.2 | -172 | -65 | -168.4 | 162.1 | 0 | 0 | 112.6 | Q162 G163 R203 | E160-Q162 PolarHBondContact O-N 2.88Å; E160-G163 PolarHBondContact O-N 3.44Å; E160-R203 PolarHBondContact O-NH1 2.83Å |
| 161 | S | 84.6 | Confident | 92.9 | Very high | 69 Ų | 69 | 55.3 Ų | 55.3 | 48% | 0.483 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.5 | 175.1 | 48.8 | 0 | 0 | 0 | 0 | 112.6 | E158 T159 | E158-S161 WeakPolarHBondContact OE1-CB 3.42Å; E158-S161 PolarHBondContact OE1-OG 2.97Å; T159-S161 PolarHBondContact O-N 3.2Å |
| 162 | Q | 86.1 | Confident | 92.8 | Very high | 48 Ų | 48 | 52 Ų | 52 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -4.5 | 179.6 | -60.3 | 177.8 | -23.2 | 0 | 0 | 113.4 | T159 E160 V164 A208 V209 | T159-Q162 WeakPolarHBondContact O-CB 3.35Å; T159-Q162 PolarHBondContact O-N 2.92Å; T159-Q162 VanDerWaalsContact O-N 3.08Å; E160-Q162 PolarHBondContact O-N 2.88Å; Q162-V164 VanDerWaalsContact C-N 3.28Å; Q162-V164 HydrophobicContact CB-CG2 4.43Å; Q162-A208 HydrophobicContact CB-CB 3.79Å; Q162-A208 HydrophobicContact CG-CB 4.17Å; Q162-V209 PolarHBondContact NE2-O 3.02Å |
| 163 | G | 88.4 | Confident | 92.4 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 15.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | T159 E160 R200 | T159-G163 PolarHBondContact O-N 3.14Å; E160-G163 PolarHBondContact O-N 3.44Å; G163-R200 PolarHBondContact O-N 3.19Å |
| 164 | V | 92.8 | Very high | 92 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 138.4 | -178.8 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | T159 Q162 I166 V197 K198 L199 A208 V225 | T159-V164 CarbonylContact C-O 3.59Å; T159-V164 WeakPolarHBondContact CB-O 3.41Å; T159-V164 PolarHBondContact O-N 2.92Å; T159-V164 VanDerWaalsContact O-N 3.14Å; T159-V164 PolarHBondContact OG1-O 3.31Å; Q162-V164 VanDerWaalsContact C-N 3.28Å; Q162-V164 HydrophobicContact CB-CG2 4.43Å; V164-I166 HydrophobicContact CG1-CG1 4.16Å; V164-V197 HydrophobicContact CG1-CG1 3.75Å; V164-K198 WeakPolarHBondContact CA-O 3.45Å; V164-L199 HydrophobicContact CG2-CD1 4.22Å; V164-A208 HydrophobicContact CG2-CB 4.03Å; V164-V225 HydrophobicContact CG2-CB 4.37Å; V164-V225 HydrophobicContact CG2-CG1 4.17Å |
| 165 | T | 93.8 | Very high | 91.7 | Very high | 24 Ų | 24 | 61.7 Ų | 61.7 | 15% | 0.147 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 136.1 | 170.8 | -57.7 | 0 | 0 | 0 | 0 | 109 | K198 R200 | T165-K198 PolarHBondContact N-O 3.39Å; T165-K198 PolarHBondContact O-N 3.1Å; T165-R200 PolarHBondContact OG1-NE 3.26Å; T165-R200 PolarHBondContact OG1-NH2 3.39Å |
| 166 | I | 95.1 | Very high | 91.7 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 11% | 0.113 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128.3 | 176.6 | -55.3 | -177.3 | 0 | 0 | 0 | 108.2 | T159 V164 Y168 V195 S196 V197 V210 V212 L223 | T159-I166 HydrophobicContact CG2-CD1 3.96Å; T159-I166 HydrophobicContact CG2-CG1 4.28Å; V164-I166 HydrophobicContact CG1-CG1 4.16Å; I166-Y168 HydrophobicContact CB-CE2 4.47Å; I166-Y168 HydrophobicContact CG2-CD1 4.31Å; I166-Y168 HydrophobicContact CG2-CD2 4.47Å; I166-Y168 HydrophobicContact CG2-CE1 3.62Å; I166-Y168 HydrophobicContact CG2-CE2 3.84Å; I166-Y168 WeakPolarHBondContact CG2-OH 3.44Å; I166-V195 HydrophobicContact CG2-CG1 3.58Å; I166-S196 WeakPolarHBondContact CA-O 2.96Å; I166-V197 HydrophobicContact CG1-CG2 4.48Å; I166-V210 HydrophobicContact CD1-CB 4.5Å; I166-V210 HydrophobicContact CD1-CG1 3.78Å; I166-V212 HydrophobicContact CD1-CG2 4.43Å; I166-L223 HydrophobicContact CD1-CD2 4.18Å |
| 167 | E | 95.6 | Very high | 91.5 | Very high | 92 Ų | 92 | 60.4 Ų | 60.4 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 148.1 | 172.6 | -70.8 | 166.5 | -160.3 | 0 | 0 | 108.7 | S196 K198 | E167-S196 PolarHBondContact N-O 3.48Å; E167-S196 PolarHBondContact O-N 3.43Å; E167-K198 IonicContact OE1-NZ 3.25Å; E167-K198 PolarHBondContact OE1-NZ 3.4Å; E167-K198 IonicContact OE2-NZ 2.72Å; E167-K198 PolarHBondContact OE2-NZ 2.98Å |
| 168 | Y | 96.8 | Very high | 91.5 | Very high | 30 Ų | 30 | 64.1 Ų | 64.1 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141.7 | -176.4 | -58.5 | -78.3 | 0 | 0 | 0 | 111 | I154 N156 I166 G179 N180 N194 V195 V212 | I154-Y168 HydrophobicContact CD1-CD1 4.31Å; I154-Y168 HydrophobicContact CD1-CE1 4.42Å; I154-Y168 HydrophobicContact CG2-CD1 4.1Å; I154-Y168 HydrophobicContact CG2-CE1 3.51Å; I154-Y168 HydrophobicContact CG2-CE2 4.23Å; N156-Y168 WeakPolarHBondContact CB-OH 3.32Å; N156-Y168 VanDerWaalsContact CG-OH 3.27Å; N156-Y168 PolarHBondContact OD1-OH 2.04Å; I166-Y168 HydrophobicContact CB-CE2 4.47Å; I166-Y168 HydrophobicContact CG2-CD1 4.31Å; I166-Y168 HydrophobicContact CG2-CD2 4.47Å; I166-Y168 HydrophobicContact CG2-CE1 3.62Å; I166-Y168 HydrophobicContact CG2-CE2 3.84Å; I166-Y168 WeakPolarHBondContact CG2-OH 3.44Å; Y168-G179 CarbonylContact C-O 3.52Å; Y168-G179 VanDerWaalsContact C-O 3.32Å; Y168-G179 WeakPolarHBondContact CB-O 3.11Å; Y168-G179 CarbonylContact O-C 2.98Å; Y168-G179 WeakPolarHBondContact O-CA 3.45Å; Y168-G179 PolarHBondContact O-N 3.04Å; Y168-N180 HydrophobicContact CD2-CB 3.77Å; Y168-N180 HydrophobicContact CE2-CB 4.48Å; Y168-N180 HydrophobicContact CG-CB 3.95Å; Y168-N194 WeakPolarHBondContact CA-O 3.11Å; Y168-V195 HydrophobicContact CD1-CB 4.48Å; Y168-V195 HydrophobicContact CD1-CG1 4.31Å; Y168-V195 HydrophobicContact CD1-CG2 4.03Å; Y168-V195 HydrophobicContact CE1-CB 4.43Å; Y168-V195 HydrophobicContact CE1-CG1 3.87Å; Y168-V195 HydrophobicContact CE1-CG2 3.99Å; Y168-V212 HydrophobicContact CE1-CG1 4.3Å |
| 169 | E | 96.8 | Very high | 91.7 | Very high | 85 Ų | 85 | 59 Ų | 59 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 121.7 | 166.5 | 179.8 | -179.7 | -112.3 | 0 | 0 | 108.1 | V176 Q177 F193 N194 | E169-V176 HydrophobicContact CG-CG1 3.41Å; E169-V176 VanDerWaalsContact CG-CG1 3.41Å; E169-V176 WeakPolarHBondContact OE1-CG1 3.48Å; E169-Q177 CarbonylContact C-O 3.53Å; E169-F193 CarbonylContact O-C 2.96Å; E169-F193 WeakPolarHBondContact O-CA 3.28Å; E169-N194 HydrophobicContact CB-CB 4.28Å; E169-N194 PolarHBondContact N-O 3.12Å; E169-N194 PolarHBondContact O-N 3.14Å |
| 170 | A | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 134.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V176 Q177 G179 F181 F193 | A170-V176 CarbonylContact O-C 3.48Å; A170-V176 WeakPolarHBondContact O-CA 3.12Å; A170-Q177 HydrophobicContact CB-CG 4.08Å; A170-Q177 PolarHBondContact N-O 3.08Å; A170-Q177 PolarHBondContact O-N 3.3Å; A170-G179 PolarHBondContact N-O 3.49Å; A170-F181 WeakPolarHBondContact CB-O 3.37Å; A170-F193 HydrophobicContact CB-CD1 3.62Å; A170-F193 HydrophobicContact CB-CE1 3.63Å |
| 171 | E | 95.2 | Very high | 92.6 | Very high | 87 Ų | 87 | 56.8 Ų | 56.8 | 41% | 0.407 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 99.1 | 170.8 | -174.6 | -172.5 | 173.3 | 0 | 0 | 109.1 | I175 V176 S192 | E171-I175 CarbonylContact C-O 3.57Å; E171-I175 WeakPolarHBondContact CA-O 3.36Å; E171-V176 HydrophobicContact CB-CG2 4.32Å; E171-V176 HydrophobicContact CG-CG2 4.05Å; E171-S192 PolarHBondContact N-O 3.32Å; E171-S192 PolarHBondContact O-N 3.36Å; E171-S192 VanDerWaalsContact O-N 3.12Å |
| 172 | C | 92.9 | Very high | 93.1 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 9% | 0.088 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 107.6 | -175.2 | -41.2 | 0 | 0 | 0 | 0 | 108.7 | G174 I175 C182 | C172-G174 VanDerWaalsContact C-N 3.26Å; C172-G174 PolarHBondContact O-N 3.26Å; C172-I175 PolarHBondContact N-O 3.28Å; C172-I175 PolarHBondContact O-N 3.43Å; C172-C182 HydrophobicContact CB-CB 3.84Å; C172-C182 WeakPolarHBondContact CB-SG 3.5Å; C172-C182 WeakPolarHBondContact SG-CA 3.44Å; C172-C182 WeakPolarHBondContact SG-CB 3.39Å; C172-C182 CovalentContact SG-SG 2.03Å; C172-C182 PolarHBondContact SG-SG 3.46Å |
| 173 | R | 87.3 | Confident | 93.5 | Very high | 150 Ų | 150 | 53.9 Ų | 53.9 | 57% | 0.566 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 40 | -178.7 | -56.1 | 179.1 | -179.7 | 146.6 | 2.3 | 113.3 | I175 S184 S186 D189 | R173-I175 VanDerWaalsContact C-N 3.34Å; R173-S184 PolarHBondContact NH2-O 2.86Å; R173-S186 PolarHBondContact NH2-OG 3.27Å; R173-D189 IonicContact CZ-OD2 2.95Å; R173-D189 IonicContact NE-OD2 2.68Å; R173-D189 PolarHBondContact NE-OD2 3.29Å; R173-D189 VanDerWaalsContact NE-OD2 3.1Å; R173-D189 IonicContact NH2-OD2 2.7Å; R173-D189 PolarHBondContact NH2-OD2 3.05Å |
| 174 | G | 85.7 | Confident | 93.7 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 57% | 0.567 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 2.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | C172 | C172-G174 VanDerWaalsContact C-N 3.26Å; C172-G174 PolarHBondContact O-N 3.26Å |
| 175 | I | 90.8 | Very high | 93.8 | Very high | 113 Ų | 113 | 56.8 Ų | 56.8 | 58% | 0.579 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 116.3 | 173.6 | -57 | 175.7 | 0 | 0 | 0 | 108.6 | E171 C172 R173 | E171-I175 CarbonylContact C-O 3.57Å; E171-I175 WeakPolarHBondContact CA-O 3.36Å; C172-I175 PolarHBondContact N-O 3.28Å; C172-I175 PolarHBondContact O-N 3.43Å; R173-I175 VanDerWaalsContact C-N 3.34Å |
| 176 | V | 93.5 | Very high | 93.8 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 128.4 | 175.9 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | E169 A170 E171 | E169-V176 HydrophobicContact CG-CG1 3.41Å; E169-V176 VanDerWaalsContact CG-CG1 3.41Å; E169-V176 WeakPolarHBondContact OE1-CG1 3.48Å; A170-V176 CarbonylContact O-C 3.48Å; A170-V176 WeakPolarHBondContact O-CA 3.12Å; E171-V176 HydrophobicContact CB-CG2 4.32Å; E171-V176 HydrophobicContact CG-CG2 4.05Å |
| 177 | Q | 92.7 | Very high | 93.6 | Very high | 56 Ų | 56 | 61.5 Ų | 61.5 | 26% | 0.262 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 143.4 | 179.9 | 63.4 | -176.4 | 38 | 0 | 0 | 111.8 | E169 A170 G179 F181 | E169-Q177 CarbonylContact C-O 3.53Å; A170-Q177 HydrophobicContact CB-CG 4.08Å; A170-Q177 PolarHBondContact N-O 3.08Å; A170-Q177 PolarHBondContact O-N 3.3Å; Q177-G179 PolarHBondContact O-N 3.13Å; Q177-F181 PolarHBondContact NE2-O 2.87Å |
| 178 | P | 94.6 | Very high | 93.4 | Very high | 122 Ų | 122 | 60.7 Ų | 60.7 | 79% | 0.792 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 137.7 | 175.7 | 27 | -33.7 | 0 | 0 | 0 | 110.7 | ||
| 179 | G | 94.4 | Very high | 93.3 | Very high | 29 Ų | 29 | 61.2 Ų | 61.2 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 117.9 | -176.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y168 A170 Q177 | Y168-G179 CarbonylContact C-O 3.52Å; Y168-G179 VanDerWaalsContact C-O 3.32Å; Y168-G179 WeakPolarHBondContact CB-O 3.11Å; Y168-G179 CarbonylContact O-C 2.98Å; Y168-G179 WeakPolarHBondContact O-CA 3.45Å; Y168-G179 PolarHBondContact O-N 3.04Å; A170-G179 PolarHBondContact N-O 3.49Å; Q177-G179 PolarHBondContact O-N 3.13Å |
| 180 | N | 95.4 | Very high | 93.2 | Very high | 60 Ų | 60 | 59.8 Ų | 59.8 | 32% | 0.321 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -109.5 | 28.2 | -170.8 | 63.8 | -34.3 | 0 | 0 | 0 | 112.4 | Y153 I154 Y168 | Y153-N180 CarbonylContact C-O 3.46Å; Y153-N180 WeakPolarHBondContact CA-O 3.41Å; I154-N180 HydrophobicContact CB-CB 4.13Å; I154-N180 PolarHBondContact N-O 2.99Å; I154-N180 PolarHBondContact O-ND2 2.02Å; Y168-N180 HydrophobicContact CD2-CB 3.77Å; Y168-N180 HydrophobicContact CE2-CB 4.48Å; Y168-N180 HydrophobicContact CG-CB 3.95Å |
| 181 | F | 95.5 | Very high | 93.1 | Very high | 54 Ų | 54 | 59.9 Ų | 59.9 | 24% | 0.237 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 135.9 | -166.3 | 167.6 | -110.6 | 0 | 0 | 0 | 112.9 | D151 I152 Y153 A170 Q177 P183 | D151-F181 HydrophobicContact CB-CE2 3.87Å; I152-F181 WeakPolarHBondContact O-CA 3.45Å; I152-F181 WeakPolarHBondContact O-CD2 3.43Å; Y153-F181 HydrophobicContact CD1-CB 4.08Å; Y153-F181 AromaticContact CD1-CD2 3.66Å; Y153-F181 HydrophobicContact CD1-CD2 3.66Å; Y153-F181 HydrophobicContact CD1-CG 4.26Å; Y153-F181 HydrophobicContact CD2-CD2 4.33Å; Y153-F181 HydrophobicContact CE1-CB 4.1Å; Y153-F181 AromaticContact CE1-CD2 3.2Å; Y153-F181 HydrophobicContact CE1-CD2 3.2Å; Y153-F181 AromaticContact CE1-CE2 3.79Å; Y153-F181 HydrophobicContact CE1-CE2 3.79Å; Y153-F181 AromaticContact CE1-CG 3.87Å; Y153-F181 HydrophobicContact CE1-CG 3.87Å; Y153-F181 AromaticContact CE2-CD2 3.94Å; Y153-F181 HydrophobicContact CE2-CD2 3.94Å; Y153-F181 AromaticContact CE2-CE2 3.97Å; Y153-F181 HydrophobicContact CE2-CE2 3.97Å; Y153-F181 HydrophobicContact CG-CD2 4.21Å; Y153-F181 AromaticContact CZ-CD2 3.35Å; Y153-F181 AromaticContact CZ-CE2 3.44Å; Y153-F181 VanDerWaalsContact CZ-CE2 3.44Å; Y153-F181 WeakPolarHBondContact OH-CE2 3.45Å; A170-F181 WeakPolarHBondContact CB-O 3.37Å; Q177-F181 PolarHBondContact NE2-O 2.87Å; F181-P183 HydrophobicContact CE1-CB 3.78Å; F181-P183 HydrophobicContact CE1-CG 4Å; F181-P183 HydrophobicContact CE2-CB 4.42Å; F181-P183 HydrophobicContact CZ-CB 3.51Å; F181-P183 HydrophobicContact CZ-CG 4.23Å |
| 182 | C | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.8 | 164.8 | -76.6 | 0 | 0 | 0 | 0 | 111.3 | I152 C172 V185 V191 F193 | I152-C182 HydrophobicContact CB-CB 4.49Å; I152-C182 PolarHBondContact N-O 2.91Å; I152-C182 PolarHBondContact O-N 3.27Å; C172-C182 HydrophobicContact CB-CB 3.84Å; C172-C182 WeakPolarHBondContact CB-SG 3.5Å; C172-C182 WeakPolarHBondContact SG-CA 3.44Å; C172-C182 WeakPolarHBondContact SG-CB 3.39Å; C172-C182 CovalentContact SG-SG 2.03Å; C172-C182 PolarHBondContact SG-SG 3.46Å; C182-V185 HydrophobicContact CB-CG2 3.73Å; C182-V191 HydrophobicContact CB-CG1 4.16Å; C182-F193 HydrophobicContact CB-CZ 4.36Å |
| 183 | P | 94.1 | Very high | 93.3 | Very high | 55 Ų | 55 | 56 Ų | 56 | 36% | 0.357 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 147 | 178.5 | 28.7 | -32 | 0 | 0 | 0 | 112.6 | D151 F181 V185 | D151-P183 WeakPolarHBondContact OD1-CA 3.46Å; F181-P183 HydrophobicContact CE1-CB 3.78Å; F181-P183 HydrophobicContact CE1-CG 4Å; F181-P183 HydrophobicContact CE2-CB 4.42Å; F181-P183 HydrophobicContact CZ-CB 3.51Å; F181-P183 HydrophobicContact CZ-CG 4.23Å; P183-V185 VanDerWaalsContact C-N 3.33Å; P183-V185 PolarHBondContact O-N 3.44Å |
| 184 | S | 92.7 | Very high | 93.7 | Very high | 61 Ų | 61 | 51.7 Ų | 51.7 | 43% | 0.427 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.2 | 45.6 | 163.9 | -58.7 | 0 | 0 | 0 | 0 | 114.8 | S149 D151 R173 S186 | S149-S184 VanDerWaalsContact OG-C 3.26Å; S149-S184 WeakPolarHBondContact OG-CA 3.31Å; S149-S184 PolarHBondContact OG-O 3.46Å; D151-S184 PolarHBondContact OD1-N 2.99Å; R173-S184 PolarHBondContact NH2-O 2.86Å; S184-S186 PolarHBondContact O-N 3.42Å |
| 185 | V | 93.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 123.2 | 177.7 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | H144 S149 R150 I152 C182 P183 D189 V191 | H144-V185 HydrophobicContact CB-CG1 3.76Å; S149-V185 VanDerWaalsContact CA-O 3.26Å; S149-V185 WeakPolarHBondContact CA-O 3.36Å; R150-V185 PolarHBondContact N-O 2.73Å; R150-V185 WeakPolarHBondContact O-CB 3.44Å; R150-V185 PolarHBondContact O-N 3.34Å; I152-V185 HydrophobicContact CB-CG2 4.03Å; I152-V185 HydrophobicContact CG1-CB 3.66Å; I152-V185 HydrophobicContact CG1-CG1 4.19Å; I152-V185 HydrophobicContact CG1-CG2 3.5Å; I152-V185 VanDerWaalsContact CG1-CG2 3.5Å; C182-V185 HydrophobicContact CB-CG2 3.73Å; P183-V185 VanDerWaalsContact C-N 3.33Å; P183-V185 PolarHBondContact O-N 3.44Å; V185-D189 HydrophobicContact CG1-CB 3.64Å; V185-V191 HydrophobicContact CG1-CG1 3.99Å; V185-V191 HydrophobicContact CG2-CG1 3.82Å |
| 186 | S | 93.7 | Very high | 94.6 | Very high | 46 Ų | 46 | 44.8 Ų | 44.8 | 32% | 0.322 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 166 | -174.1 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | H144 R173 S184 S188 D189 | H144-S186 PolarHBondContact CD2-O 2.87Å; R173-S186 PolarHBondContact NH2-OG 3.27Å; S184-S186 PolarHBondContact O-N 3.42Å; S186-S188 PolarHBondContact O-N 2.8Å; S186-D189 WeakPolarHBondContact CB-OD2 2.9Å; S186-D189 PolarHBondContact N-OD2 2.77Å; S186-D189 VanDerWaalsContact O-CB 3.24Å; S186-D189 WeakPolarHBondContact O-CB 2.9Å; S186-D189 PolarHBondContact O-N 3.19Å |
| 187 | H | 92.4 | Very high | 94.7 | Very high | 100 Ų | 100 | 41 Ų | 41 | 46% | 0.463 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 132.3 | 176.3 | -177.6 | 69.2 | 0 | 0 | 0 | 111.5 | Q145 D146 D189 | Q145-H187 PolarHBondContact O-CE1 3.09Å; Q145-H187 VanDerWaalsContact O-CE1 3.23Å; Q145-H187 PolarHBondContact O-ND1 3.46Å; Q145-H187 VanDerWaalsContact O-ND1 3.11Å; D146-H187 VanDerWaalsContact O-CB 3.32Å; D146-H187 WeakPolarHBondContact O-CB 3.48Å; D146-H187 PolarHBondContact O-ND1 2.68Å; H187-D189 PolarHBondContact O-N 2.97Å |
| 188 | S | 91.3 | Very high | 94.8 | Very high | 75 Ų | 75 | 41.6 Ų | 41.6 | 52% | 0.524 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 5.4 | -176.7 | -56.9 | 0 | 0 | 0 | 0 | 116.1 | H144 S186 | H144-S188 WeakPolarHBondContact O-CA 2.99Å; H144-S188 PolarHBondContact O-N 2.93Å; S186-S188 PolarHBondContact O-N 2.8Å |
| 189 | D | 93.5 | Very high | 94.7 | Very high | 40 Ų | 40 | 36 Ų | 36 | 21% | 0.214 | 21% | 0.213 | C | C | . | . | trans | -67.5 | 142.9 | 168.8 | -76.1 | -9.9 | 0 | 0 | 0 | 110.4 | H144 R173 V185 S186 H187 | H144-D189 PolarHBondContact N-O 2.94Å; R173-D189 IonicContact CZ-OD2 2.95Å; R173-D189 IonicContact NE-OD2 2.68Å; R173-D189 PolarHBondContact NE-OD2 3.29Å; R173-D189 VanDerWaalsContact NE-OD2 3.1Å; R173-D189 IonicContact NH2-OD2 2.7Å; R173-D189 PolarHBondContact NH2-OD2 3.05Å; V185-D189 HydrophobicContact CG1-CB 3.64Å; S186-D189 WeakPolarHBondContact CB-OD2 2.9Å; S186-D189 PolarHBondContact N-OD2 2.77Å; S186-D189 VanDerWaalsContact O-CB 3.24Å; S186-D189 WeakPolarHBondContact O-CB 2.9Å; S186-D189 PolarHBondContact O-N 3.19Å; H187-D189 PolarHBondContact O-N 2.97Å | ||
| 190 | V | 94.2 | Very high | 94.5 | Very high | 56 Ų | 56 | 42.3 Ų | 42.3 | 34% | 0.339 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.9 | 167.1 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | V104 R141 Y142 L143 | V104-V190 HydrophobicContact CG2-CG1 4.29Å; V104-V190 HydrophobicContact CG2-CG2 4.37Å; R141-V190 HydrophobicContact CB-CG1 4.39Å; Y142-V190 VanDerWaalsContact O-CA 3.29Å; Y142-V190 WeakPolarHBondContact O-CA 3.31Å; L143-V190 HydrophobicContact CB-CG2 4.35Å; L143-V190 HydrophobicContact CD1-CG2 3.78Å |
| 191 | V | 94.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 147.1 | 172.5 | -64.5 | 0 | 0 | 0 | 0 | 109.5 | R141 Y142 C182 V185 F193 | R141-V191 WeakPolarHBondContact CA-O 3.2Å; Y142-V191 HydrophobicContact CD1-CG2 3.85Å; Y142-V191 HydrophobicContact CG-CG2 4.45Å; Y142-V191 PolarHBondContact N-O 2.01Å; Y142-V191 PolarHBondContact O-N 2.78Å; C182-V191 HydrophobicContact CB-CG1 4.16Å; V185-V191 HydrophobicContact CG1-CG1 3.99Å; V185-V191 HydrophobicContact CG2-CG1 3.82Å; V191-F193 HydrophobicContact CB-CE2 4.41Å; V191-F193 HydrophobicContact CG2-CE2 3.68Å; V191-F193 HydrophobicContact CG2-CZ 4.24Å |
| 192 | S | 96.2 | Very high | 93.6 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 148.9 | 179.2 | -56.8 | 0 | 0 | 0 | 0 | 109.9 | L140 E171 | L140-S192 CarbonylContact O-C 3.52Å; L140-S192 VanDerWaalsContact O-CA 3.3Å; L140-S192 WeakPolarHBondContact O-CA 3.43Å; E171-S192 PolarHBondContact N-O 3.32Å; E171-S192 PolarHBondContact O-N 3.36Å; E171-S192 VanDerWaalsContact O-N 3.12Å |
| 193 | F | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 120 | 174.9 | -61.9 | -93.6 | 0 | 0 | 0 | 108.4 | L140 I152 I154 E169 A170 C182 V191 V195 I214 | L140-F193 HydrophobicContact CD2-CD2 4.08Å; L140-F193 PolarHBondContact N-O 3.16Å; L140-F193 PolarHBondContact O-N 2.02Å; I152-F193 HydrophobicContact CG2-CE2 4.32Å; I152-F193 HydrophobicContact CG2-CZ 4.04Å; I154-F193 HydrophobicContact CD1-CB 3.32Å; I154-F193 HydrophobicContact CD1-CD1 3.53Å; I154-F193 HydrophobicContact CD1-CD2 3.39Å; I154-F193 HydrophobicContact CD1-CE1 4.11Å; I154-F193 HydrophobicContact CD1-CE2 3.95Å; I154-F193 HydrophobicContact CD1-CG 3.13Å; I154-F193 HydrophobicContact CD1-CZ 4.29Å; I154-F193 HydrophobicContact CG1-CD1 4.07Å; I154-F193 HydrophobicContact CG1-CD2 4Å; I154-F193 HydrophobicContact CG1-CE1 4.14Å; I154-F193 HydrophobicContact CG1-CE2 4.04Å; I154-F193 HydrophobicContact CG1-CG 4Å; I154-F193 HydrophobicContact CG1-CZ 4.12Å; E169-F193 CarbonylContact O-C 2.96Å; E169-F193 WeakPolarHBondContact O-CA 3.28Å; A170-F193 HydrophobicContact CB-CD1 3.62Å; A170-F193 HydrophobicContact CB-CE1 3.63Å; C182-F193 HydrophobicContact CB-CZ 4.36Å; V191-F193 HydrophobicContact CB-CE2 4.41Å; V191-F193 HydrophobicContact CG2-CE2 3.68Å; V191-F193 HydrophobicContact CG2-CZ 4.24Å; F193-V195 PolarHBondContact O-N 3.38Å; F193-I214 HydrophobicContact CE2-CD1 4.06Å |
| 194 | N | 96.6 | Very high | 91.8 | Very high | 58 Ų | 58 | 47.1 Ų | 47.1 | 31% | 0.31 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 115.5 | 171.5 | -171.3 | 13.4 | 0 | 0 | 0 | 108.5 | S137 Y168 E169 | S137-N194 WeakPolarHBondContact CB-OD1 2.95Å; Y168-N194 WeakPolarHBondContact CA-O 3.11Å; E169-N194 HydrophobicContact CB-CB 4.28Å; E169-N194 PolarHBondContact N-O 3.12Å; E169-N194 PolarHBondContact O-N 3.14Å |
| 195 | V | 97 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 110 | -176.1 | -175 | 0 | 0 | 0 | 0 | 108.4 | S137 F138 L140 I166 Y168 F193 V197 | S137-V195 VanDerWaalsContact CA-O 3.25Å; S137-V195 WeakPolarHBondContact CA-O 3.49Å; F138-V195 HydrophobicContact CD1-CB 4.39Å; F138-V195 HydrophobicContact CD2-CB 4.43Å; F138-V195 HydrophobicContact CE1-CB 3.99Å; F138-V195 HydrophobicContact CE1-CG1 3.94Å; F138-V195 HydrophobicContact CE2-CB 4.03Å; F138-V195 HydrophobicContact CE2-CG1 4.49Å; F138-V195 HydrophobicContact CE2-CG2 4.1Å; F138-V195 HydrophobicContact CZ-CB 3.8Å; F138-V195 HydrophobicContact CZ-CG1 3.8Å; F138-V195 HydrophobicContact CZ-CG2 4.22Å; F138-V195 PolarHBondContact N-O 2.82Å; F138-V195 VanDerWaalsContact N-O 3.08Å; F138-V195 PolarHBondContact O-N 3.05Å; L140-V195 HydrophobicContact CB-CG2 3.92Å; I166-V195 HydrophobicContact CG2-CG1 3.58Å; Y168-V195 HydrophobicContact CD1-CB 4.48Å; Y168-V195 HydrophobicContact CD1-CG1 4.31Å; Y168-V195 HydrophobicContact CD1-CG2 4.03Å; Y168-V195 HydrophobicContact CE1-CB 4.43Å; Y168-V195 HydrophobicContact CE1-CG1 3.87Å; Y168-V195 HydrophobicContact CE1-CG2 3.99Å; F193-V195 PolarHBondContact O-N 3.38Å; V195-V197 HydrophobicContact CG1-CG2 4.16Å |
| 196 | S | 97 | Very high | 89.5 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 108.9 | 177.6 | -64.6 | 0 | 0 | 0 | 0 | 110.7 | S137 I166 E167 | S137-S196 PolarHBondContact OG-OG 2.74Å; I166-S196 WeakPolarHBondContact CA-O 2.96Å; E167-S196 PolarHBondContact N-O 3.48Å; E167-S196 PolarHBondContact O-N 3.43Å |
| 197 | V | 96 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 124.8 | 180 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | I128 M130 A135 I136 F138 V164 I166 V195 L223 V225 | I128-V197 HydrophobicContact CD1-CB 4.05Å; I128-V197 HydrophobicContact CD1-CG1 4.34Å; I128-V197 HydrophobicContact CD1-CG2 3.91Å; M130-V197 WeakPolarHBondContact CE-O 3.37Å; M130-V197 HydrophobicContact SD-CG1 4.18Å; A135-V197 CarbonylContact C-O 3.56Å; A135-V197 WeakPolarHBondContact CA-O 3.4Å; I136-V197 PolarHBondContact N-O 2.73Å; I136-V197 PolarHBondContact O-N 2.82Å; F138-V197 HydrophobicContact CE1-CG2 3.91Å; V164-V197 HydrophobicContact CG1-CG1 3.75Å; I166-V197 HydrophobicContact CG1-CG2 4.48Å; V195-V197 HydrophobicContact CG1-CG2 4.16Å; V197-L223 HydrophobicContact CG1-CD2 4.32Å; V197-L223 HydrophobicContact CG2-CD2 3.76Å; V197-V225 HydrophobicContact CG1-CG2 4.1Å |
| 198 | K | 94.7 | Very high | 88.9 | Confident | 69 Ų | 69 | 50 Ų | 50 | 30% | 0.3 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132.3 | 177.6 | -65.3 | 178.4 | -171.5 | 161.7 | 0 | 110.3 | D134 A135 V164 T165 E167 | D134-K198 WeakPolarHBondContact O-CA 3.47Å; A135-K198 HydrophobicContact CB-CD 4.36Å; A135-K198 HydrophobicContact CB-CG 3.66Å; V164-K198 WeakPolarHBondContact CA-O 3.45Å; T165-K198 PolarHBondContact N-O 3.39Å; T165-K198 PolarHBondContact O-N 3.1Å; E167-K198 IonicContact OE1-NZ 3.25Å; E167-K198 PolarHBondContact OE1-NZ 3.4Å; E167-K198 IonicContact OE2-NZ 2.72Å; E167-K198 PolarHBondContact OE2-NZ 2.98Å |
| 199 | L | 93.1 | Very high | 89 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.3 | 172.6 | -177.8 | 67.2 | 0 | 0 | 0 | 108.9 | M130 P132 G133 D134 V164 E201 P227 | M130-L199 HydrophobicContact CE-CB 3.86Å; M130-L199 HydrophobicContact CG-CB 3.78Å; M130-L199 HydrophobicContact CG-CD2 4.01Å; M130-L199 HydrophobicContact CG-CG 4.5Å; M130-L199 WeakPolarHBondContact O-CD2 3.49Å; M130-L199 HydrophobicContact SD-CB 3.71Å; P132-L199 CarbonylContact C-O 3.52Å; P132-L199 HydrophobicContact CG-CD2 4.14Å; G133-L199 PolarHBondContact N-O 3.12Å; D134-L199 PolarHBondContact O-N 2.84Å; V164-L199 HydrophobicContact CG2-CD1 4.22Å; L199-E201 WeakPolarHBondContact CD1-O 3.26Å; L199-P227 HydrophobicContact CD1-CB 4.31Å; L199-P227 HydrophobicContact CD2-CB 3.47Å; L199-P227 VanDerWaalsContact CD2-CB 3.47Å |
| 200 | R | 89.5 | Confident | 89.1 | Confident | 160 Ų | 160 | 48.1 Ų | 48.1 | 60% | 0.604 | 27% | 0.267 | S | S | * | . | trans | -77.4 | -43.4 | 179.2 | -64.4 | -171.4 | -178.3 | 179.3 | 7.5 | 111.7 | G163 T165 | G163-R200 PolarHBondContact O-N 3.19Å; T165-R200 PolarHBondContact OG1-NE 3.26Å; T165-R200 PolarHBondContact OG1-NH2 3.39Å | ||
| 201 | E | 86.8 | Confident | 89.1 | Confident | 82 Ų | 82 | 48 Ų | 48 | 38% | 0.383 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -162.8 | 162.8 | -173.1 | 53.9 | 178.2 | 146.2 | 0 | 0 | 111.6 | L199 R203 | L199-E201 WeakPolarHBondContact CD1-O 3.26Å; E201-R203 VanDerWaalsContact C-N 3.29Å; E201-R203 HydrophobicContact CG-CG 3.88Å; E201-R203 PolarHBondContact O-N 2.88Å; E201-R203 IonicContact OE1-CZ 3.73Å; E201-R203 IonicContact OE1-NE 3.24Å; E201-R203 PolarHBondContact OE1-NE 3.33Å; E201-R203 IonicContact OE1-NH2 3.06Å; E201-R203 PolarHBondContact OE1-NH2 2.87Å; E201-R203 IonicContact OE2-NE 2.68Å |
| 202 | C | 86 | Confident | 89.2 | Confident | 32 Ų | 32 | 48 Ų | 48 | 22% | 0.216 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -78.6 | 66.5 | 178.4 | -75.8 | 0 | 0 | 0 | 0 | 112.6 | P132 C229 | P132-C202 WeakPolarHBondContact CG-SG 3.36Å; C202-C229 HydrophobicContact CB-CB 3.82Å; C202-C229 WeakPolarHBondContact CB-SG 3.07Å; C202-C229 VanDerWaalsContact SG-CA 3.52Å; C202-C229 WeakPolarHBondContact SG-CB 2.94Å; C202-C229 CovalentContact SG-SG 2.02Å; C202-C229 PolarHBondContact SG-SG 2.84Å |
| 203 | R | 83 | Confident | 89.2 | Confident | 135 Ų | 135 | 47.5 Ų | 47.5 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | trans | -84.5 | -39.3 | 175.1 | -82.2 | 178.4 | -172.2 | -177.7 | 8.2 | 113.4 | E160 E201 N205 | E160-R203 PolarHBondContact O-NH1 2.83Å; E201-R203 VanDerWaalsContact C-N 3.29Å; E201-R203 HydrophobicContact CG-CG 3.88Å; E201-R203 PolarHBondContact O-N 2.88Å; E201-R203 IonicContact OE1-CZ 3.73Å; E201-R203 IonicContact OE1-NE 3.24Å; E201-R203 PolarHBondContact OE1-NE 3.33Å; E201-R203 IonicContact OE1-NH2 3.06Å; E201-R203 PolarHBondContact OE1-NH2 2.87Å; E201-R203 IonicContact OE2-NE 2.68Å; R203-N205 PolarHBondContact O-N 3.13Å | ||
| 204 | A | 67.5 | Low | 89.1 | Confident | 21 Ų | 21 | 47.8 Ų | 47.8 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | trans | -89.1 | 88.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G206 G207 A208 P227 | A204-G206 PolarHBondContact O-N 3.38Å; A204-G207 PolarHBondContact O-N 2.72Å; A204-A208 HydrophobicContact CB-CB 4.4Å; A204-P227 WeakPolarHBondContact O-CG 3.05Å | ||
| 205 | N | 65.8 | Low | 88.9 | Confident | 167 Ų | 167 | 46.9 Ų | 46.9 | 89% | 0.893 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -19.9 | 179.5 | -73.6 | -16.4 | 0 | 0 | 0 | 114.3 | R203 | R203-N205 PolarHBondContact O-N 3.13Š|
| 206 | G | 73.7 | Confident | 88.4 | Confident | 78 Ų | 78 | 51.1 Ų | 51.1 | 80% | 0.804 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | 13.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A204 | A204-G206 PolarHBondContact O-N 3.38Š|
| 207 | G | 84.3 | Confident | 88 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 24% | 0.237 | 32% | 0.317 | C | S | . | . | trans | 81 | 166.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A204 V225 | A204-G207 PolarHBondContact O-N 2.72Å; G207-V225 CarbonylContact C-O 3.51Å; G207-V225 VanDerWaalsContact CA-O 3.31Å; G207-V225 WeakPolarHBondContact CA-O 3.46Å | ||
| 208 | A | 89.5 | Confident | 87.6 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 3% | 0.033 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 138.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q162 V164 A204 V225 | Q162-A208 HydrophobicContact CB-CB 3.79Å; Q162-A208 HydrophobicContact CG-CB 4.17Å; V164-A208 HydrophobicContact CG2-CB 4.03Å; A204-A208 HydrophobicContact CB-CB 4.4Å; A208-V225 HydrophobicContact CB-CB 4.27Å; A208-V225 PolarHBondContact N-O 3.31Å; A208-V225 PolarHBondContact O-N 3.17Å |
| 209 | V | 93.4 | Very high | 87.3 | Confident | 75 Ų | 75 | 61 Ų | 61 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.8 | 173.3 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | Q162 L223 Y224 | Q162-V209 PolarHBondContact NE2-O 3.02Å; V209-L223 WeakPolarHBondContact CA-O 3.48Å; V209-Y224 HydrophobicContact CG1-CE1 4.34Å; V209-Y224 HydrophobicContact CG2-CD1 3.88Å; V209-Y224 HydrophobicContact CG2-CE1 4.02Å |
| 210 | V | 94.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129.7 | 178.2 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | N156 S157 T159 I166 V212 L223 | N156-V210 HydrophobicContact CB-CG1 4.07Å; S157-V210 WeakPolarHBondContact OG-CA 3.48Å; T159-V210 HydrophobicContact CG2-CG1 3.76Å; T159-V210 HydrophobicContact CG2-CG2 3.86Å; I166-V210 HydrophobicContact CD1-CB 4.5Å; I166-V210 HydrophobicContact CD1-CG1 3.78Å; V210-V212 HydrophobicContact CG1-CG2 4.19Å; V210-L223 HydrophobicContact CB-CB 4.23Å; V210-L223 HydrophobicContact CB-CD2 4.28Å; V210-L223 PolarHBondContact N-O 3.17Å; V210-L223 WeakPolarHBondContact O-CB 3.05Å; V210-L223 PolarHBondContact O-N 3.11Å |
| 211 | S | 95.6 | Very high | 87.7 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 37% | 0.371 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 124.1 | 170.9 | -61.2 | 0 | 0 | 0 | 0 | 108.6 | N156 S157 V221 | N156-S211 CarbonylContact C-O 3.32Å; N156-S211 WeakPolarHBondContact CA-O 3.25Å; S157-S211 PolarHBondContact N-O 2.04Å; S157-S211 PolarHBondContact OG-N 2.89Å; S211-V221 WeakPolarHBondContact CA-O 3.46Å |
| 212 | V | 96.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.6 | 175 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | L140 I154 L155 N156 I166 Y168 V210 V221 | L140-V212 HydrophobicContact CD1-CG1 3.85Å; I154-V212 HydrophobicContact CG2-CG1 3.68Å; L155-V212 WeakPolarHBondContact O-CA 3.21Å; N156-V212 HydrophobicContact CB-CG2 4.12Å; I166-V212 HydrophobicContact CD1-CG2 4.43Å; Y168-V212 HydrophobicContact CE1-CG1 4.3Å; V210-V212 HydrophobicContact CG1-CG2 4.19Å; V212-V221 HydrophobicContact CB-CB 4.4Å; V212-V221 PolarHBondContact N-O 2.79Å; V212-V221 PolarHBondContact O-N 3.39Å |
| 213 | G | 95.4 | Very high | 88.6 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 9% | 0.093 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 174.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | I154 L155 | I154-G213 WeakPolarHBondContact CA-O 3.37Å; L155-G213 PolarHBondContact N-O 2.88Å; L155-G213 PolarHBondContact O-N 3.16Å |
| 214 | I | 95.1 | Very high | 89.2 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133 | 176.1 | -60 | -69.4 | 0 | 0 | 0 | 109 | L121 Y142 I152 I154 F193 G216 V217 | L121-I214 HydrophobicContact CD1-CG1 4.4Å; L121-I214 HydrophobicContact CD2-CG1 3.75Å; Y142-I214 HydrophobicContact CD1-CG1 4.41Å; Y142-I214 HydrophobicContact CD2-CG1 3.87Å; Y142-I214 HydrophobicContact CE1-CG2 4.37Å; Y142-I214 HydrophobicContact CE2-CG1 4.31Å; Y142-I214 HydrophobicContact CG-CD1 4.24Å; Y142-I214 HydrophobicContact CG-CG1 3.93Å; I152-I214 HydrophobicContact CD1-CG2 4.35Å; I152-I214 HydrophobicContact CG2-CD1 3.76Å; I152-I214 HydrophobicContact CG2-CG2 3.72Å; I154-I214 HydrophobicContact CD1-CD1 4.46Å; I154-I214 HydrophobicContact CG1-CD1 3.56Å; F193-I214 HydrophobicContact CE2-CD1 4.06Å; I214-G216 PolarHBondContact O-N 2.91Å; I214-V217 HydrophobicContact CB-CB 4.01Å; I214-V217 HydrophobicContact CB-CG2 3.87Å; I214-V217 HydrophobicContact CG2-CB 4.41Å; I214-V217 HydrophobicContact CG2-CG2 3.76Å; I214-V217 PolarHBondContact O-N 3.49Å |
| 215 | G | 92.1 | Very high | 90.6 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 121.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y153 | Y153-G215 PolarHBondContact O-N 2.85Š|
| 216 | G | 87.3 | Confident | 91.9 | Very high | 89 Ų | 89 | 43.5 Ų | 43.5 | 92% | 0.918 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -4.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | I214 | I214-G216 PolarHBondContact O-N 2.91Š|
| 217 | V | 89.1 | Confident | 92.9 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | trans | -99.9 | 141.9 | 176 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | Y142 I214 E219 | Y142-V217 HydrophobicContact CE2-CG1 4.47Å; Y142-V217 HydrophobicContact CE2-CG2 3.88Å; I214-V217 HydrophobicContact CB-CB 4.01Å; I214-V217 HydrophobicContact CB-CG2 3.87Å; I214-V217 HydrophobicContact CG2-CB 4.41Å; I214-V217 HydrophobicContact CG2-CG2 3.76Å; I214-V217 PolarHBondContact O-N 3.49Å; V217-E219 HydrophobicContact CG1-CB 4.19Å | ||
| 218 | R | 87 | Confident | 93.3 | Very high | 247 Ų | 247 | 41.4 Ų | 41.4 | 93% | 0.932 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -79.2 | -31.1 | -179.5 | -68.7 | -175.6 | 179.8 | 177.4 | 0 | 113.7 | ||
| 219 | E | 88.9 | Confident | 93.5 | Very high | 23 Ų | 23 | 43 Ų | 43 | 11% | 0.107 | 26% | 0.255 | C | S | . | . | trans | -70.2 | 138 | 178.4 | -167.2 | 166.6 | -141.5 | 0 | 0 | 109.9 | R108 Q120 L121 V217 | R108-E219 IonicContact CZ-OE1 3.68Å; R108-E219 VanDerWaalsContact CZ-OE1 3.25Å; R108-E219 IonicContact NE-OE1 3.29Å; R108-E219 PolarHBondContact NE-OE1 3.41Å; R108-E219 IonicContact NH2-OE1 3.57Å; R108-E219 PolarHBondContact NH2-OE1 2.02Å; Q120-E219 WeakPolarHBondContact CA-OE2 3.08Å; Q120-E219 WeakPolarHBondContact CB-OE2 3.5Å; Q120-E219 PolarHBondContact N-OE2 3.29Å; L121-E219 HydrophobicContact CB-CG 4.09Å; L121-E219 HydrophobicContact CD1-CB 4.13Å; L121-E219 HydrophobicContact CD1-CG 4.24Å; L121-E219 WeakPolarHBondContact CD1-O 3.47Å; L121-E219 PolarHBondContact N-OE2 2.64Å; V217-E219 HydrophobicContact CG1-CB 4.19Å | ||
| 220 | V | 94 | Very high | 93.5 | Very high | 74 Ų | 74 | 41 Ų | 41 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 151.5 | 176.7 | -62 | 0 | 0 | 0 | 0 | 109.3 | ||
| 221 | V | 96.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123.9 | 171.4 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | L121 P123 Q124 V126 L140 S211 V212 | L121-V221 HydrophobicContact CB-CG2 4.41Å; P123-V221 HydrophobicContact CG-CG1 4.42Å; P123-V221 WeakPolarHBondContact O-CG2 3.22Å; Q124-V221 WeakPolarHBondContact O-CA 3.04Å; V126-V221 HydrophobicContact CG2-CG1 3.96Å; L140-V221 HydrophobicContact CD1-CG2 3.72Å; L140-V221 HydrophobicContact CG-CG2 4.34Å; S211-V221 WeakPolarHBondContact CA-O 3.46Å; V212-V221 HydrophobicContact CB-CB 4.4Å; V212-V221 PolarHBondContact N-O 2.79Å; V212-V221 PolarHBondContact O-N 3.39Å |
| 222 | A | 96.1 | Very high | 93.5 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 20% | 0.198 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 114 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | Q124 Q125 V126 Y224 | Q124-A222 PolarHBondContact O-N 3.33Å; Q125-A222 WeakPolarHBondContact CA-O 3.45Å; Q125-A222 HydrophobicContact CG-CB 4.42Å; V126-A222 PolarHBondContact N-O 2.82Å; A222-Y224 HydrophobicContact CB-CE2 3.85Å |
| 223 | L | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.1 | 178 | 179.3 | 67.6 | 0 | 0 | 0 | 110.2 | V126 I128 F138 I166 V197 V209 V210 V225 | V126-L223 HydrophobicContact CB-CD1 3.76Å; V126-L223 HydrophobicContact CG1-CD1 3.82Å; V126-L223 WeakPolarHBondContact O-CA 3.44Å; I128-L223 HydrophobicContact CD1-CD1 3.58Å; I128-L223 HydrophobicContact CG1-CD1 3.81Å; F138-L223 HydrophobicContact CE1-CD1 4.09Å; F138-L223 HydrophobicContact CZ-CD1 4.31Å; I166-L223 HydrophobicContact CD1-CD2 4.18Å; V197-L223 HydrophobicContact CG1-CD2 4.32Å; V197-L223 HydrophobicContact CG2-CD2 3.76Å; V209-L223 WeakPolarHBondContact CA-O 3.48Å; V210-L223 HydrophobicContact CB-CB 4.23Å; V210-L223 HydrophobicContact CB-CD2 4.28Å; V210-L223 PolarHBondContact N-O 3.17Å; V210-L223 WeakPolarHBondContact O-CB 3.05Å; V210-L223 PolarHBondContact O-N 3.11Å; L223-V225 HydrophobicContact CD1-CG2 4.41Å; L223-V225 HydrophobicContact CD2-CG2 3.83Å; L223-V225 HydrophobicContact CG-CG2 3.77Å |
| 224 | Y | 95.8 | Very high | 93.5 | Very high | 79 Ų | 79 | 45.7 Ų | 45.7 | 31% | 0.31 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 103.8 | 175.4 | -61.6 | -90.3 | 0 | 0 | 0 | 109.4 | Q125 V126 Q127 I128 V209 A222 | Q125-Y224 HydrophobicContact CG-CD2 4.05Å; Q125-Y224 HydrophobicContact CG-CE2 3.58Å; V126-Y224 PolarHBondContact O-N 3.48Å; Q127-Y224 CarbonylContact C-O 3.34Å; Q127-Y224 WeakPolarHBondContact CA-O 3.4Å; I128-Y224 PolarHBondContact N-O 2.79Å; V209-Y224 HydrophobicContact CG1-CE1 4.34Å; V209-Y224 HydrophobicContact CG2-CD1 3.88Å; V209-Y224 HydrophobicContact CG2-CE1 4.02Å; A222-Y224 HydrophobicContact CB-CE2 3.85Å |
| 225 | V | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 106.9 | 178.2 | -173 | 0 | 0 | 0 | 0 | 109.3 | I128 M130 V164 V197 G207 A208 L223 P227 | I128-V225 CarbonylContact O-C 3.49Å; M130-V225 HydrophobicContact CG-CG1 4.1Å; M130-V225 HydrophobicContact SD-CG1 3.8Å; V164-V225 HydrophobicContact CG2-CB 4.37Å; V164-V225 HydrophobicContact CG2-CG1 4.17Å; V197-V225 HydrophobicContact CG1-CG2 4.1Å; G207-V225 CarbonylContact C-O 3.51Å; G207-V225 VanDerWaalsContact CA-O 3.31Å; G207-V225 WeakPolarHBondContact CA-O 3.46Å; A208-V225 HydrophobicContact CB-CB 4.27Å; A208-V225 PolarHBondContact N-O 3.31Å; A208-V225 PolarHBondContact O-N 3.17Å; L223-V225 HydrophobicContact CD1-CG2 4.41Å; L223-V225 HydrophobicContact CD2-CG2 3.83Å; L223-V225 HydrophobicContact CG-CG2 3.77Å; V225-P227 WeakPolarHBondContact O-CD 3.03Å |
| 226 | N | 94.3 | Very high | 93.5 | Very high | 56 Ų | 56 | 54.9 Ų | 54.9 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 107.8 | 178.9 | -65.8 | -29.3 | 0 | 0 | 0 | 109.6 | Q127 I128 A129 M130 | Q127-N226 PolarHBondContact NE2-ND2 2.88Å; I128-N226 PolarHBondContact O-N 3.09Å; A129-N226 VanDerWaalsContact CA-O 3.27Å; A129-N226 WeakPolarHBondContact CA-O 3.35Å; M130-N226 PolarHBondContact N-O 3.43Å |
| 227 | P | 93.7 | Very high | 93.9 | Very high | 28 Ų | 28 | 58 Ų | 58 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 134.3 | -177.6 | 34.1 | -37.7 | 0 | 0 | 0 | 110.9 | M130 L199 A204 V225 C229 | M130-P227 WeakPolarHBondContact O-CA 3.48Å; L199-P227 HydrophobicContact CD1-CB 4.31Å; L199-P227 HydrophobicContact CD2-CB 3.47Å; L199-P227 VanDerWaalsContact CD2-CB 3.47Å; A204-P227 WeakPolarHBondContact O-CG 3.05Å; V225-P227 WeakPolarHBondContact O-CD 3.03Å; P227-C229 VanDerWaalsContact CB-SG 3.58Å; P227-C229 PolarHBondContact O-N 3.23Å |
| 228 | I | 94.3 | Very high | 94.2 | Very high | 30 Ų | 30 | 60.6 Ų | 60.6 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | trans | -92.4 | 99 | 176 | -56.5 | 172 | 0 | 0 | 0 | 107.9 | I54 P92 A129 M130 K131 | I54-I228 HydrophobicContact CD1-CG2 4.07Å; P92-I228 HydrophobicContact CB-CD1 4.41Å; P92-I228 HydrophobicContact CB-CG2 3.76Å; P92-I228 HydrophobicContact CG-CG2 3.67Å; A129-I228 HydrophobicContact CB-CD1 4.09Å; A129-I228 HydrophobicContact CB-CG1 4.29Å; M130-I228 PolarHBondContact O-N 3.25Å; K131-I228 HydrophobicContact CG-CB 4.01Å; K131-I228 HydrophobicContact CG-CG2 4.22Å | ||
| 229 | C | 92.2 | Very high | 94.6 | Very high | 38 Ų | 38 | 51.3 Ų | 51.3 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | trans | -116.5 | 2.6 | -168.1 | -60 | 0 | 0 | 0 | 0 | 114.6 | K55 C202 P227 | K55-C229 WeakPolarHBondContact CE-O 3.17Å; K55-C229 PolarHBondContact NZ-O 3.18Å; C202-C229 HydrophobicContact CB-CB 3.82Å; C202-C229 WeakPolarHBondContact CB-SG 3.07Å; C202-C229 VanDerWaalsContact SG-CA 3.52Å; C202-C229 WeakPolarHBondContact SG-CB 2.94Å; C202-C229 CovalentContact SG-SG 2.02Å; C202-C229 PolarHBondContact SG-SG 2.84Å; P227-C229 VanDerWaalsContact CB-SG 3.58Å; P227-C229 PolarHBondContact O-N 3.23Å | ||
| 230 | G | 93.3 | Very high | 94.9 | Very high | 32 Ų | 32 | 53.6 Ų | 53.6 | 33% | 0.33 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -160 | 168 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | E234 | G230-E234 WeakPolarHBondContact CA-OE2 3.49Š|
| 231 | C | 95.8 | Very high | 95 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | trans | -98.3 | 155.2 | 177.7 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | C50 C233 E234 | C50-C231 HydrophobicContact CB-CB 3.76Å; C50-C231 WeakPolarHBondContact CB-SG 3.46Å; C50-C231 WeakPolarHBondContact SG-CB 3.47Å; C50-C231 CovalentContact SG-SG 2.02Å; C50-C231 PolarHBondContact SG-SG 3.08Å; C231-C233 VanDerWaalsContact C-N 3.27Å; C231-C233 PolarHBondContact O-N 3.41Å; C231-E234 HydrophobicContact CB-CG 4.25Å; C231-E234 PolarHBondContact N-OE2 2.81Å; C231-E234 VanDerWaalsContact N-OE2 3.14Å; C231-E234 WeakPolarHBondContact O-CB 3.35Å; C231-E234 PolarHBondContact O-N 2.67Å; C231-E234 VanDerWaalsContact O-N 3.08Å | ||
| 232 | D | 94.5 | Very high | 94.9 | Very high | 96 Ų | 96 | 60.4 Ų | 60.4 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -63.4 | -36.3 | 177.8 | -77.4 | -31.5 | 0 | 0 | 0 | 111.3 | E234 K235 N238 | D232-E234 PolarHBondContact O-N 2.79Å; D232-E234 VanDerWaalsContact O-N 3.17Å; D232-K235 WeakPolarHBondContact O-CB 3.39Å; D232-K235 WeakPolarHBondContact O-CG 3.03Å; D232-K235 PolarHBondContact O-N 3.38Å; D232-K235 VanDerWaalsContact O-N 3.11Å; D232-K235 WeakPolarHBondContact OD1-CE 3.2Å; D232-K235 IonicContact OD1-NZ 2.64Å; D232-K235 PolarHBondContact OD1-NZ 3.33Å; D232-N238 PolarHBondContact O-ND2 3.41Å |
| 233 | C | 95.9 | Very high | 94.9 | Very high | 14 Ų | 14 | 59.4 Ų | 59.4 | 10% | 0.095 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -63.6 | -15.3 | 174.3 | 64.2 | 0 | 0 | 0 | 0 | 114.8 | E90 C231 C254 | E90-C233 VanDerWaalsContact CD-SG 3.58Å; E90-C233 WeakPolarHBondContact OE1-CB 3.37Å; E90-C233 PolarHBondContact OE1-SG 2.76Å; C231-C233 VanDerWaalsContact C-N 3.27Å; C231-C233 PolarHBondContact O-N 3.41Å; C233-C254 HydrophobicContact CB-CB 3.96Å; C233-C254 WeakPolarHBondContact CB-SG 3.05Å; C233-C254 PolarHBondContact O-SG 3.1Å; C233-C254 WeakPolarHBondContact SG-CB 3.38Å; C233-C254 CovalentContact SG-SG 2.02Å; C233-C254 PolarHBondContact SG-SG 3.05Å |
| 234 | E | 95.5 | Very high | 94.9 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 21% | 0.206 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -85.2 | -13 | 176.6 | -66.6 | -177.5 | 136.3 | 0 | 0 | 112.1 | S49 C50 G51 G230 C231 D232 Q239 V253 C254 | S49-E234 WeakPolarHBondContact CB-OE1 3.29Å; S49-E234 PolarHBondContact OG-OE1 2.86Å; C50-E234 HydrophobicContact CB-CG 4.07Å; C50-E234 PolarHBondContact N-OE1 3.24Å; G51-E234 WeakPolarHBondContact CA-OE2 3.32Å; G51-E234 PolarHBondContact N-OE1 2.8Å; G51-E234 PolarHBondContact N-OE2 3.12Å; G230-E234 WeakPolarHBondContact CA-OE2 3.49Å; C231-E234 HydrophobicContact CB-CG 4.25Å; C231-E234 PolarHBondContact N-OE2 2.81Å; C231-E234 VanDerWaalsContact N-OE2 3.14Å; C231-E234 WeakPolarHBondContact O-CB 3.35Å; C231-E234 PolarHBondContact O-N 2.67Å; C231-E234 VanDerWaalsContact O-N 3.08Å; D232-E234 PolarHBondContact O-N 2.79Å; D232-E234 VanDerWaalsContact O-N 3.17Å; E234-Q239 PolarHBondContact O-NE2 3.32Å; E234-V253 HydrophobicContact CG-CG1 4.42Å; E234-C254 WeakPolarHBondContact CG-SG 3.42Å; E234-C254 PolarHBondContact N-SG 3.21Å |
| 235 | K | 94.9 | Very high | 94.8 | Very high | 100 Ų | 100 | 64.5 Ų | 64.5 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -62.2 | 140 | 177.4 | -65.6 | 176.5 | -178 | 165.9 | 0 | 110.1 | D232 E237 N238 Q239 | D232-K235 WeakPolarHBondContact O-CB 3.39Å; D232-K235 WeakPolarHBondContact O-CG 3.03Å; D232-K235 PolarHBondContact O-N 3.38Å; D232-K235 VanDerWaalsContact O-N 3.11Å; D232-K235 WeakPolarHBondContact OD1-CE 3.2Å; D232-K235 IonicContact OD1-NZ 2.64Å; D232-K235 PolarHBondContact OD1-NZ 3.33Å; K235-E237 HydrophobicContact CB-CG 4.07Å; K235-E237 PolarHBondContact O-N 3.23Å; K235-E237 VanDerWaalsContact O-N 3.09Å; K235-N238 PolarHBondContact O-N 3.41Å; K235-Q239 PolarHBondContact O-N 3.33Å |
| 236 | L | 93.9 | Very high | 94.7 | Very high | 139 Ų | 139 | 64.5 Ų | 64.5 | 73% | 0.728 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -53.6 | -35.6 | -174.9 | -175.7 | 63.6 | 0 | 0 | 0 | 113.3 | N238 Q239 | L236-N238 PolarHBondContact O-N 2.79Å; L236-Q239 PolarHBondContact O-N 3.29Å |
| 237 | E | 94.9 | Very high | 94.6 | Very high | 154 Ų | 154 | 64.1 Ų | 64.1 | 72% | 0.72 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -64.5 | -23.7 | 177.2 | 64.9 | -168.9 | 173.3 | 0 | 0 | 114.3 | K235 | K235-E237 HydrophobicContact CB-CG 4.07Å; K235-E237 PolarHBondContact O-N 3.23Å; K235-E237 VanDerWaalsContact O-N 3.09Å |
| 238 | N | 95.1 | Very high | 94.7 | Very high | 87 Ų | 87 | 64 Ų | 64 | 47% | 0.465 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -98.4 | -0.9 | 180 | -65.8 | -35.9 | 0 | 0 | 0 | 112.8 | D232 K235 L236 | D232-N238 PolarHBondContact O-ND2 3.41Å; K235-N238 PolarHBondContact O-N 3.41Å; L236-N238 PolarHBondContact O-N 2.79Å |
| 239 | Q | 95 | Very high | 94.7 | Very high | 52 Ų | 52 | 67.4 Ų | 67.4 | 24% | 0.243 | 38% | 0.376 | C | S | . | . | trans | -88 | 143.1 | 178.1 | -58.8 | -176.9 | 16.9 | 0 | 0 | 110.5 | E234 K235 L236 V253 | E234-Q239 PolarHBondContact O-NE2 3.32Å; K235-Q239 PolarHBondContact O-N 3.33Å; L236-Q239 PolarHBondContact O-N 3.29Å; Q239-V253 HydrophobicContact CB-CG2 4.27Å; Q239-V253 HydrophobicContact CG-CB 4.39Å; Q239-V253 HydrophobicContact CG-CG1 4.09Å; Q239-V253 HydrophobicContact CG-CG2 3.81Å | ||
| 240 | V | 96.2 | Very high | 94.7 | Very high | 71 Ų | 71 | 65.6 Ų | 65.6 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -102.6 | 105.9 | 172.4 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | N251 L252 | V240-N251 CarbonylContact O-C 3.49Å; V240-N251 WeakPolarHBondContact O-CA 3.34Å; V240-L252 HydrophobicContact CB-CB 4.18Å; V240-L252 PolarHBondContact N-O 3.1Å; V240-L252 PolarHBondContact O-N 3.1Å |
| 241 | T | 95.9 | Very high | 94.9 | Very high | 97 Ų | 97 | 66 Ų | 66 | 60% | 0.595 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | 140.2 | 178.5 | 53.8 | 0 | 0 | 0 | 0 | 111 | S243 N251 | T241-S243 PolarHBondContact O-N 2.58Å; T241-N251 VanDerWaalsContact CA-OD1 3.29Å; T241-N251 WeakPolarHBondContact CA-OD1 3.16Å |
| 242 | M | 94.9 | Very high | 94.9 | Very high | 121 Ų | 121 | 66.6 Ų | 66.6 | 60% | 0.596 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 47.5 | -176.9 | -65.4 | -174.3 | 59.7 | 0 | 0 | 112.9 | G248 G250 N251 | M242-G248 WeakPolarHBondContact CE-O 3.45Å; M242-G250 CarbonylContact C-O 3.56Å; M242-G250 WeakPolarHBondContact CA-O 3.36Å; M242-G250 PolarHBondContact N-O 3.34Å; M242-N251 PolarHBondContact N-OD1 2.87Å |
| 243 | S | 95.9 | Very high | 95 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.014 | 34% | 0.341 | C | S | . | . | trans | -61.4 | 135.3 | -172.5 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | T241 Q245 C246 G247 G248 G250 | T241-S243 PolarHBondContact O-N 2.58Å; S243-Q245 PolarHBondContact O-N 3.38Å; S243-Q245 PolarHBondContact OG-N 3.14Å; S243-C246 CarbonylContact O-C 3.5Å; S243-C246 WeakPolarHBondContact O-CA 3.45Å; S243-C246 PolarHBondContact O-N 2.98Å; S243-G247 PolarHBondContact O-N 3.23Å; S243-G248 WeakPolarHBondContact O-CA 3.45Å; S243-G248 PolarHBondContact O-N 3.27Å; S243-G250 PolarHBondContact N-O 2.93Å | ||
| 244 | P | 95.2 | Very high | 95 | Very high | 116 Ų | 116 | 62.5 Ų | 62.5 | 75% | 0.753 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -56.1 | -30.6 | 169.5 | -25.8 | 34.9 | 0 | 0 | 0 | 113.3 | C246 G247 | P244-C246 PolarHBondContact O-N 3.03Å; P244-G247 PolarHBondContact O-N 3.27Å; P244-G247 VanDerWaalsContact O-N 3.09Å |
| 245 | Q | 93.5 | Very high | 95 | Very high | 70 Ų | 70 | 60.7 Ų | 60.7 | 33% | 0.327 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -68.4 | -21.3 | 175.1 | -67.2 | 179.2 | -64.4 | 0 | 0 | 112.5 | N67 S243 R267 | N67-Q245 PolarHBondContact OD1-NE2 3.14Å; S243-Q245 PolarHBondContact O-N 3.38Å; S243-Q245 PolarHBondContact OG-N 3.14Å; Q245-R267 WeakPolarHBondContact O-CB 3.23Å |
| 246 | C | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -101.4 | 30.4 | 172.6 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | S243 P244 G248 R249 C257 R267 C268 | S243-C246 CarbonylContact O-C 3.5Å; S243-C246 WeakPolarHBondContact O-CA 3.45Å; S243-C246 PolarHBondContact O-N 2.98Å; P244-C246 PolarHBondContact O-N 3.03Å; C246-G248 PolarHBondContact O-N 3.09Å; C246-R249 PolarHBondContact O-N 2.85Å; C246-C257 WeakPolarHBondContact CA-SG 3.2Å; C246-C257 HydrophobicContact CB-CB 3.79Å; C246-C257 WeakPolarHBondContact CB-SG 3.43Å; C246-C257 VanDerWaalsContact SG-CA 3.54Å; C246-C257 WeakPolarHBondContact SG-CB 3.42Å; C246-C257 CovalentContact SG-SG 2.04Å; C246-C257 PolarHBondContact SG-SG 3.17Å; C246-R267 CarbonylContact C-O 3.49Å; C246-R267 VanDerWaalsContact CA-O 3.24Å; C246-R267 WeakPolarHBondContact CA-O 3.46Å; C246-C268 WeakPolarHBondContact O-CB 3.38Å |
| 247 | G | 92.1 | Very high | 94.9 | Very high | 48 Ų | 48 | 52 Ų | 52 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 15.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | S243 P244 R249 R267 | S243-G247 PolarHBondContact O-N 3.23Å; P244-G247 PolarHBondContact O-N 3.27Å; P244-G247 VanDerWaalsContact O-N 3.09Å; G247-R249 PolarHBondContact O-N 2.85Å; G247-R267 PolarHBondContact N-O 3.47Å |
| 248 | G | 94.8 | Very high | 94.8 | Very high | 26 Ų | 26 | 49.5 Ų | 49.5 | 27% | 0.268 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 13.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M242 S243 C246 | M242-G248 WeakPolarHBondContact CE-O 3.45Å; S243-G248 WeakPolarHBondContact O-CA 3.45Å; S243-G248 PolarHBondContact O-N 3.27Å; C246-G248 PolarHBondContact O-N 3.09Å |
| 249 | R | 93.6 | Very high | 94.7 | Very high | 101 Ų | 101 | 47 Ų | 47 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -124 | 19.7 | -172.4 | -66.3 | 174.7 | -179.8 | 172.6 | -8 | 113.1 | C246 G247 N260 C268 N271 | C246-R249 PolarHBondContact O-N 2.85Å; G247-R249 PolarHBondContact O-N 2.85Å; R249-N260 WeakPolarHBondContact O-CB 3.4Å; R249-N260 PolarHBondContact O-N 3.39Å; R249-C268 HydrophobicContact CB-CB 4.02Å; R249-N271 VanDerWaalsContact CZ-OD1 3.24Å; R249-N271 PolarHBondContact NH1-OD1 2.94Å; R249-N271 PolarHBondContact NH2-OD1 3.32Å |
| 250 | G | 93.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | 170.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M242 S243 I258 | M242-G250 CarbonylContact C-O 3.56Å; M242-G250 WeakPolarHBondContact CA-O 3.36Å; M242-G250 PolarHBondContact N-O 3.34Å; S243-G250 PolarHBondContact N-O 2.93Å; G250-I258 CarbonylContact C-O 3.43Å; G250-I258 WeakPolarHBondContact CA-O 3.25Å |
| 251 | N | 95.9 | Very high | 94.1 | Very high | 42 Ų | 42 | 50.3 Ų | 50.3 | 23% | 0.225 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 138.4 | 176 | -59.2 | -22.8 | 0 | 0 | 0 | 109 | V240 T241 M242 V253 C257 I258 | V240-N251 CarbonylContact O-C 3.49Å; V240-N251 WeakPolarHBondContact O-CA 3.34Å; T241-N251 VanDerWaalsContact CA-OD1 3.29Å; T241-N251 WeakPolarHBondContact CA-OD1 3.16Å; M242-N251 PolarHBondContact N-OD1 2.87Å; N251-V253 HydrophobicContact CB-CG2 4.34Å; N251-C257 WeakPolarHBondContact O-CA 3.44Å; N251-I258 PolarHBondContact N-O 3.08Å; N251-I258 PolarHBondContact O-N 3.45Å |
| 252 | L | 96.3 | Very high | 93.5 | Very high | 18 Ų | 18 | 46.9 Ų | 46.9 | 9% | 0.094 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 119.8 | 172.1 | -174.4 | 76.1 | 0 | 0 | 0 | 108.9 | P66 V240 | P66-L252 HydrophobicContact CB-CD1 4.09Å; P66-L252 HydrophobicContact CB-CD2 4.05Å; V240-L252 HydrophobicContact CB-CB 4.18Å; V240-L252 PolarHBondContact N-O 3.1Å; V240-L252 PolarHBondContact O-N 3.1Å |
| 253 | V | 96.9 | Very high | 93.1 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 117.9 | -178.3 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | E234 Q239 N251 G255 A256 I258 | E234-V253 HydrophobicContact CG-CG1 4.42Å; Q239-V253 HydrophobicContact CB-CG2 4.27Å; Q239-V253 HydrophobicContact CG-CB 4.39Å; Q239-V253 HydrophobicContact CG-CG1 4.09Å; Q239-V253 HydrophobicContact CG-CG2 3.81Å; N251-V253 HydrophobicContact CB-CG2 4.34Å; V253-G255 VanDerWaalsContact C-N 3.27Å; V253-G255 PolarHBondContact O-N 3.38Å; V253-A256 PolarHBondContact N-O 3.22Å; V253-A256 PolarHBondContact O-N 2.88Å; V253-A256 VanDerWaalsContact O-O 3.11Å; V253-I258 HydrophobicContact CB-CD1 3.95Å; V253-I258 HydrophobicContact CB-CG1 4.34Å; V253-I258 HydrophobicContact CG1-CD1 4.46Å; V253-I258 HydrophobicContact CG2-CD1 3.59Å; V253-I258 HydrophobicContact CG2-CG1 4.08Å |
| 254 | C | 96.5 | Very high | 92.5 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 47.3 | -175.9 | -60.3 | 0 | 0 | 0 | 0 | 113.6 | C50 W62 S64 C233 E234 A256 | C50-C254 HydrophobicContact CB-CB 4.11Å; W62-C254 PolarHBondContact NE1-O 2.84Å; S64-C254 WeakPolarHBondContact CA-O 3.37Å; C233-C254 HydrophobicContact CB-CB 3.96Å; C233-C254 WeakPolarHBondContact CB-SG 3.05Å; C233-C254 PolarHBondContact O-SG 3.1Å; C233-C254 WeakPolarHBondContact SG-CB 3.38Å; C233-C254 CovalentContact SG-SG 2.02Å; C233-C254 PolarHBondContact SG-SG 3.05Å; E234-C254 WeakPolarHBondContact CG-SG 3.42Å; E234-C254 PolarHBondContact N-SG 3.21Å; C254-A256 PolarHBondContact O-N 3.4Å; C254-A256 VanDerWaalsContact O-N 3.14Å |
| 255 | G | 95 | Very high | 91.8 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | -7.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S64 R73 V253 | S64-G255 WeakPolarHBondContact O-CA 3.46Å; S64-G255 PolarHBondContact O-N 2.83Å; R73-G255 PolarHBondContact NH1-O 2.87Å; R73-G255 PolarHBondContact NH2-O 2.79Å; V253-G255 VanDerWaalsContact C-N 3.27Å; V253-G255 PolarHBondContact O-N 3.38Å |
| 256 | A | 93.8 | Very high | 91.3 | Very high | 28 Ų | 28 | 39.9 Ų | 39.9 | 23% | 0.231 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 145.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | W62 V253 C254 | W62-A256 HydrophobicContact CZ2-CB 4.2Å; V253-A256 PolarHBondContact N-O 3.22Å; V253-A256 PolarHBondContact O-N 2.88Å; V253-A256 VanDerWaalsContact O-O 3.11Å; C254-A256 PolarHBondContact O-N 3.4Å; C254-A256 VanDerWaalsContact O-N 3.14Å |
| 257 | C | 93.1 | Very high | 91.1 | Very high | 29 Ų | 29 | 46 Ų | 46 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 127.8 | 176.4 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | C246 N251 S266 | C246-C257 WeakPolarHBondContact CA-SG 3.2Å; C246-C257 HydrophobicContact CB-CB 3.79Å; C246-C257 WeakPolarHBondContact CB-SG 3.43Å; C246-C257 VanDerWaalsContact SG-CA 3.54Å; C246-C257 WeakPolarHBondContact SG-CB 3.42Å; C246-C257 CovalentContact SG-SG 2.04Å; C246-C257 PolarHBondContact SG-SG 3.17Å; N251-C257 WeakPolarHBondContact O-CA 3.44Å; C257-S266 WeakPolarHBondContact CB-O 3.34Å |
| 258 | I | 93.4 | Very high | 91 | Very high | 101 Ų | 101 | 43.7 Ų | 43.7 | 52% | 0.518 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 101.1 | 166.2 | -55.4 | -177.1 | 0 | 0 | 0 | 107.2 | G250 N251 V253 | G250-I258 CarbonylContact C-O 3.43Å; G250-I258 WeakPolarHBondContact CA-O 3.25Å; N251-I258 PolarHBondContact N-O 3.08Å; N251-I258 PolarHBondContact O-N 3.45Å; V253-I258 HydrophobicContact CB-CD1 3.95Å; V253-I258 HydrophobicContact CB-CG1 4.34Å; V253-I258 HydrophobicContact CG1-CD1 4.46Å; V253-I258 HydrophobicContact CG2-CD1 3.59Å; V253-I258 HydrophobicContact CG2-CG1 4.08Å |
| 259 | C | 91.6 | Very high | 90.7 | Very high | 35 Ų | 35 | 46 Ų | 46 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 142.7 | -174.7 | -56.5 | 0 | 0 | 0 | 0 | 112.9 | S263 C268 | C259-S263 VanDerWaalsContact CB-O 3.29Å; C259-S263 WeakPolarHBondContact CB-O 3.34Å; C259-C268 WeakPolarHBondContact CA-SG 3.03Å; C259-C268 HydrophobicContact CB-CB 3.81Å; C259-C268 WeakPolarHBondContact CB-SG 3.02Å; C259-C268 WeakPolarHBondContact SG-CA 3.39Å; C259-C268 WeakPolarHBondContact SG-CB 3.39Å; C259-C268 CovalentContact SG-SG 2.04Å; C259-C268 PolarHBondContact SG-SG 3.36Å |
| 260 | N | 91.5 | Very high | 90.4 | Very high | 61 Ų | 61 | 41.4 Ų | 41.4 | 33% | 0.326 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 155.2 | 172.4 | -69.2 | -24.6 | 0 | 0 | 0 | 110.3 | R249 G262 S263 | R249-N260 WeakPolarHBondContact O-CB 3.4Å; R249-N260 PolarHBondContact O-N 3.39Å; N260-G262 PolarHBondContact O-N 2.59Å; N260-S263 PolarHBondContact O-N 3.19Å |
| 261 | P | 87.1 | Confident | 89.9 | Confident | 131 Ų | 131 | 47.1 Ų | 47.1 | 85% | 0.851 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 127.3 | 173.1 | -27.8 | 35.4 | 0 | 0 | 0 | 111.6 | ||
| 262 | G | 83.2 | Confident | 89 | Confident | 25 Ų | 25 | 46.1 Ų | 46.1 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 9.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | N260 V272 | N260-G262 PolarHBondContact O-N 2.59Å; G262-V272 CarbonylContact C-O 3.4Å; G262-V272 VanDerWaalsContact C-O 3.26Å; G262-V272 WeakPolarHBondContact CA-O 2.98Å; G262-V272 CarbonylContact O-C 3.58Å; G262-V272 PolarHBondContact O-N 2.81Å |
| 263 | S | 87.3 | Confident | 87.6 | Confident | 24 Ų | 24 | 49.4 Ų | 49.4 | 17% | 0.168 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.4 | 167.7 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | C259 N260 C270 | C259-S263 VanDerWaalsContact CB-O 3.29Å; C259-S263 WeakPolarHBondContact CB-O 3.34Å; N260-S263 PolarHBondContact O-N 3.19Å; S263-C270 CarbonylContact C-O 3.6Å; S263-C270 VanDerWaalsContact CA-O 3.29Å; S263-C270 WeakPolarHBondContact CA-O 3.06Å |
| 264 | A | 83.2 | Confident | 85.6 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 178.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | C268 E269 C270 V272 L282 | A264-C268 CarbonylContact O-C 3.49Å; A264-C268 VanDerWaalsContact O-C 3.26Å; A264-C268 WeakPolarHBondContact O-CA 3.49Å; A264-E269 PolarHBondContact O-N 3.25Å; A264-C270 HydrophobicContact CB-CB 4.24Å; A264-C270 PolarHBondContact N-O 2.85Å; A264-C270 VanDerWaalsContact O-CB 3.28Å; A264-C270 WeakPolarHBondContact O-CB 3.36Å; A264-C270 PolarHBondContact O-N 2.8Å; A264-V272 HydrophobicContact CB-CG2 3.55Å; A264-L282 HydrophobicContact CB-CD2 4.4Å |
| 265 | G | 80 | Confident | 83.5 | Confident | 33 Ų | 33 | 57.4 Ų | 57.4 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 96.7 | 169.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R267 C268 E269 | G265-R267 PolarHBondContact O-N 3.3Å; G265-C268 PolarHBondContact O-N 3.42Å; G265-E269 WeakPolarHBondContact CA-OE2 3.45Å |
| 266 | S | 84.4 | Confident | 81.4 | Confident | 93 Ų | 93 | 62.6 Ų | 62.6 | 65% | 0.65 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22.3 | -176.5 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | C257 E269 | C257-S266 WeakPolarHBondContact CB-O 3.34Å; S266-E269 PolarHBondContact N-OE2 2.81Å |
| 267 | R | 89.9 | Confident | 79.6 | Confident | 128 Ų | 128 | 64.7 Ų | 64.7 | 48% | 0.483 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | 20.3 | -178.6 | -62.3 | -174.1 | -178.1 | -151.9 | -1.7 | 111.9 | Q245 C246 G247 G265 E269 | Q245-R267 WeakPolarHBondContact O-CB 3.23Å; C246-R267 CarbonylContact C-O 3.49Å; C246-R267 VanDerWaalsContact CA-O 3.24Å; C246-R267 WeakPolarHBondContact CA-O 3.46Å; G247-R267 PolarHBondContact N-O 3.47Å; G265-R267 PolarHBondContact O-N 3.3Å; R267-E269 WeakPolarHBondContact CA-OE2 3.45Å; R267-E269 WeakPolarHBondContact CB-OE2 3.27Å; R267-E269 PolarHBondContact N-OE2 3.08Å; R267-E269 PolarHBondContact O-N 3.16Å |
| 268 | C | 90.3 | Very high | 78.2 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 42% | 0.424 | C | S | . | . | S | Bend | trans | 55.9 | 30 | -177.7 | -45.1 | 0 | 0 | 0 | 0 | 114 | C246 R249 C259 A264 G265 | C246-C268 WeakPolarHBondContact O-CB 3.38Å; R249-C268 HydrophobicContact CB-CB 4.02Å; C259-C268 WeakPolarHBondContact CA-SG 3.03Å; C259-C268 HydrophobicContact CB-CB 3.81Å; C259-C268 WeakPolarHBondContact CB-SG 3.02Å; C259-C268 WeakPolarHBondContact SG-CA 3.39Å; C259-C268 WeakPolarHBondContact SG-CB 3.39Å; C259-C268 CovalentContact SG-SG 2.04Å; C259-C268 PolarHBondContact SG-SG 3.36Å; A264-C268 CarbonylContact O-C 3.49Å; A264-C268 VanDerWaalsContact O-C 3.26Å; A264-C268 WeakPolarHBondContact O-CA 3.49Å; G265-C268 PolarHBondContact O-N 3.42Å |
| 269 | E | 88.4 | Confident | 77 | Confident | 75 Ų | 75 | 66.5 Ų | 66.5 | 35% | 0.35 | 43% | 0.429 | S | S | . | . | trans | -75.6 | -23.8 | -177.2 | 67.1 | -84.2 | -155.4 | 0 | 0 | 112.8 | A264 G265 S266 R267 | A264-E269 PolarHBondContact O-N 3.25Å; G265-E269 WeakPolarHBondContact CA-OE2 3.45Å; S266-E269 PolarHBondContact N-OE2 2.81Å; R267-E269 WeakPolarHBondContact CA-OE2 3.45Å; R267-E269 WeakPolarHBondContact CB-OE2 3.27Å; R267-E269 PolarHBondContact N-OE2 3.08Å; R267-E269 PolarHBondContact O-N 3.16Å | ||
| 270 | C | 86 | Confident | 76.1 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.034 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 127.5 | -177.4 | -47.7 | 0 | 0 | 0 | 0 | 111 | S263 A264 L282 C303 | S263-C270 CarbonylContact C-O 3.6Å; S263-C270 VanDerWaalsContact CA-O 3.29Å; S263-C270 WeakPolarHBondContact CA-O 3.06Å; A264-C270 HydrophobicContact CB-CB 4.24Å; A264-C270 PolarHBondContact N-O 2.85Å; A264-C270 VanDerWaalsContact O-CB 3.28Å; A264-C270 WeakPolarHBondContact O-CB 3.36Å; A264-C270 PolarHBondContact O-N 2.8Å; C270-L282 HydrophobicContact CB-CD2 4.36Å; C270-C303 WeakPolarHBondContact CA-SG 2.97Å; C270-C303 HydrophobicContact CB-CB 3.82Å; C270-C303 WeakPolarHBondContact CB-SG 3.38Å; C270-C303 WeakPolarHBondContact SG-CA 3.26Å; C270-C303 WeakPolarHBondContact SG-CB 3.41Å; C270-C303 PolarHBondContact SG-N 3.08Å; C270-C303 CovalentContact SG-SG 2.04Å; C270-C303 PolarHBondContact SG-SG 3.12Å |
| 271 | N | 84.6 | Confident | 75.4 | Confident | 119 Ų | 119 | 68.1 Ų | 68.1 | 64% | 0.636 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 117.8 | 168.8 | -66.7 | -45.4 | 0 | 0 | 0 | 109.4 | R249 | R249-N271 VanDerWaalsContact CZ-OD1 3.24Å; R249-N271 PolarHBondContact NH1-OD1 2.94Å; R249-N271 PolarHBondContact NH2-OD1 3.32Å |
| 272 | V | 77.1 | Confident | 74.9 | Confident | 22 Ų | 22 | 63 Ų | 63 | 13% | 0.133 | 41% | 0.405 | C | S | . | . | trans | -112.3 | 96.3 | 173 | 179.9 | 0 | 0 | 0 | 0 | 106 | G262 A264 S274 M277 | G262-V272 CarbonylContact C-O 3.4Å; G262-V272 VanDerWaalsContact C-O 3.26Å; G262-V272 WeakPolarHBondContact CA-O 2.98Å; G262-V272 CarbonylContact O-C 3.58Å; G262-V272 PolarHBondContact O-N 2.81Å; A264-V272 HydrophobicContact CB-CG2 3.55Å; V272-S274 PolarHBondContact O-N 3.11Å; V272-M277 HydrophobicContact CG1-CB 3.98Å; V272-M277 WeakPolarHBondContact CG1-O 3.25Å | ||
| 273 | A | 65.5 | Low | 74.8 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 71% | 0.711 | 41% | 0.411 | S | S | * | . | trans | -52.1 | 134 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | G275 | A273-G275 PolarHBondContact O-N 3.19Š| ||
| 274 | S | 55.6 | Low | 74.7 | Confident | 120 Ų | 120 | 68.5 Ų | 68.5 | 84% | 0.839 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 97.5 | -175.7 | -58.6 | 0 | 0 | 0 | 0 | 112 | V272 | V272-S274 PolarHBondContact O-N 3.11Š|
| 275 | G | 52.8 | Low | 74.9 | Confident | 73 Ų | 73 | 71.3 Ų | 71.3 | 75% | 0.753 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 149.7 | -16.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 120 | A273 | A273-G275 PolarHBondContact O-N 3.19Š|
| 276 | T | 50.2 | Low | 75.5 | Confident | 115 Ų | 115 | 69.8 Ų | 69.8 | 71% | 0.706 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -134.7 | -37.1 | -172.6 | 51.4 | 0 | 0 | 0 | 0 | 117.2 | S278 | T276-S278 PolarHBondContact O-N 3.09Š|
| 277 | M | 55.6 | Low | 76 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 36% | 0.355 | 40% | 0.402 | S | S | . | . | trans | -94.6 | 110.2 | -169.6 | -37.7 | -159.7 | 86.6 | 0 | 0 | 112.6 | V272 E281 | V272-M277 HydrophobicContact CG1-CB 3.98Å; V272-M277 WeakPolarHBondContact CG1-O 3.25Å; M277-E281 WeakPolarHBondContact CA-OE2 3.04Å; M277-E281 HydrophobicContact CB-CB 4.38Å; M277-E281 HydrophobicContact CE-CG 3.88Å; M277-E281 VanDerWaalsContact CE-OE1 3.23Å; M277-E281 WeakPolarHBondContact CE-OE1 3.48Å | ||
| 278 | S | 65.4 | Low | 76.1 | Confident | 66 Ų | 66 | 65 Ų | 65 | 46% | 0.462 | 40% | 0.399 | S | S | . | . | trans | -72.6 | 161.6 | 170 | 65.5 | 0 | 0 | 0 | 0 | 111.3 | T276 A280 E281 L282 | T276-S278 PolarHBondContact O-N 3.09Å; S278-A280 PolarHBondContact O-N 2.04Å; S278-E281 WeakPolarHBondContact O-CA 3.28Å; S278-E281 WeakPolarHBondContact O-CB 3.04Å; S278-E281 PolarHBondContact O-N 3.15Å; S278-E281 PolarHBondContact OG-N 3.24Å; S278-E281 VanDerWaalsContact OG-N 3.12Å; S278-L282 PolarHBondContact O-N 2.04Å; S278-L282 VanDerWaalsContact O-N 3.08Å | ||
| 279 | V | 66.6 | Low | 76.2 | Confident | 102 Ų | 102 | 67 Ų | 67 | 62% | 0.618 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -52.4 | -36.9 | 169.5 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | E281 L282 L283 | V279-E281 VanDerWaalsContact C-N 3.34Å; V279-E281 PolarHBondContact O-N 3.02Å; V279-L282 PolarHBondContact O-N 2.8Å; V279-L283 HydrophobicContact CG1-CD1 4.34Å; V279-L283 WeakPolarHBondContact O-CG 3.02Å; V279-L283 PolarHBondContact O-N 2.9Å |
| 280 | A | 74.3 | Confident | 76.1 | Confident | 54 Ų | 54 | 69.2 Ų | 69.2 | 45% | 0.446 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.6 | -36.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S278 L283 N284 | S278-A280 PolarHBondContact O-N 2.04Å; A280-L283 PolarHBondContact O-N 2.88Å; A280-N284 WeakPolarHBondContact O-CB 3.27Å; A280-N284 PolarHBondContact O-N 3.07Å; A280-N284 PolarHBondContact O-ND2 3.25Å |
| 281 | E | 75.6 | Confident | 76.2 | Confident | 76 Ų | 76 | 73.8 Ų | 73.8 | 36% | 0.355 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.7 | -37.3 | 177.7 | -162.7 | 170.8 | 163.9 | 0 | 0 | 112.1 | M277 S278 V279 N284 Q285 | M277-E281 WeakPolarHBondContact CA-OE2 3.04Å; M277-E281 HydrophobicContact CB-CB 4.38Å; M277-E281 HydrophobicContact CE-CG 3.88Å; M277-E281 VanDerWaalsContact CE-OE1 3.23Å; M277-E281 WeakPolarHBondContact CE-OE1 3.48Å; S278-E281 WeakPolarHBondContact O-CA 3.28Å; S278-E281 WeakPolarHBondContact O-CB 3.04Å; S278-E281 PolarHBondContact O-N 3.15Å; S278-E281 PolarHBondContact OG-N 3.24Å; S278-E281 VanDerWaalsContact OG-N 3.12Å; V279-E281 VanDerWaalsContact C-N 3.34Å; V279-E281 PolarHBondContact O-N 3.02Å; E281-N284 PolarHBondContact O-N 3.34Å; E281-Q285 WeakPolarHBondContact O-CG 3.24Å; E281-Q285 PolarHBondContact O-N 2.76Å; E281-Q285 VanDerWaalsContact O-N 3.15Å |
| 282 | L | 76.6 | Confident | 76.6 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 13% | 0.126 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 172.8 | -163.7 | 66.8 | 0 | 0 | 0 | 111.5 | A264 C270 S278 V279 N284 Q285 G304 | A264-L282 HydrophobicContact CB-CD2 4.4Å; C270-L282 HydrophobicContact CB-CD2 4.36Å; S278-L282 PolarHBondContact O-N 2.04Å; S278-L282 VanDerWaalsContact O-N 3.08Å; V279-L282 PolarHBondContact O-N 2.8Å; L282-N284 VanDerWaalsContact C-N 3.33Å; L282-N284 PolarHBondContact O-N 2.8Å; L282-Q285 WeakPolarHBondContact O-CB 3.27Å; L282-Q285 PolarHBondContact O-N 3.29Å; L282-G304 VanDerWaalsContact CD1-N 3.3Å |
| 283 | L | 80.7 | Confident | 77.3 | Confident | 72 Ų | 72 | 77 Ų | 77 | 38% | 0.377 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 174.6 | -73.2 | 171.1 | 0 | 0 | 0 | 112.3 | V279 A280 Q285 C286 C301 | V279-L283 HydrophobicContact CG1-CD1 4.34Å; V279-L283 WeakPolarHBondContact O-CG 3.02Å; V279-L283 PolarHBondContact O-N 2.9Å; A280-L283 PolarHBondContact O-N 2.88Å; L283-Q285 VanDerWaalsContact C-N 3.26Å; L283-Q285 PolarHBondContact O-N 3.32Å; L283-C286 WeakPolarHBondContact O-CB 3.44Å; L283-C286 PolarHBondContact O-N 2.04Å; L283-C286 VanDerWaalsContact O-N 3.09Å; L283-C301 HydrophobicContact CD2-CB 4.18Å |
| 284 | N | 85.2 | Confident | 78.5 | Confident | 92 Ų | 92 | 74.2 Ų | 74.2 | 49% | 0.492 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66 | -28.2 | 177.5 | -74.4 | -22.8 | 0 | 0 | 0 | 112.5 | A280 E281 L282 C286 R287 | A280-N284 WeakPolarHBondContact O-CB 3.27Å; A280-N284 PolarHBondContact O-N 3.07Å; A280-N284 PolarHBondContact O-ND2 3.25Å; E281-N284 PolarHBondContact O-N 3.34Å; L282-N284 VanDerWaalsContact C-N 3.33Å; L282-N284 PolarHBondContact O-N 2.8Å; N284-C286 PolarHBondContact O-N 3.44Å; N284-R287 PolarHBondContact O-N 2.9Å; N284-R287 VanDerWaalsContact O-N 3.15Å |
| 285 | Q | 88.5 | Confident | 80.4 | Confident | 70 Ų | 70 | 68.5 Ų | 68.5 | 33% | 0.327 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.4 | 173.3 | -69 | 172.4 | 31.4 | 0 | 0 | 113.3 | E281 L282 L283 Y318 | E281-Q285 WeakPolarHBondContact O-CG 3.24Å; E281-Q285 PolarHBondContact O-N 2.76Å; E281-Q285 VanDerWaalsContact O-N 3.15Å; L282-Q285 WeakPolarHBondContact O-CB 3.27Å; L282-Q285 PolarHBondContact O-N 3.29Å; L283-Q285 VanDerWaalsContact C-N 3.26Å; L283-Q285 PolarHBondContact O-N 3.32Å; Q285-Y318 VanDerWaalsContact O-CE1 3.32Å; Q285-Y318 WeakPolarHBondContact O-CE1 3.49Å |
| 286 | C | 92.6 | Very high | 82.4 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.007 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 2.3 | 176.4 | -66.6 | 0 | 0 | 0 | 0 | 113.2 | L283 N284 P294 C295 C301 Y318 | L283-C286 WeakPolarHBondContact O-CB 3.44Å; L283-C286 PolarHBondContact O-N 2.04Å; L283-C286 VanDerWaalsContact O-N 3.09Å; N284-C286 PolarHBondContact O-N 3.44Å; C286-P294 HydrophobicContact CB-CB 4.12Å; C286-P294 CarbonylContact O-C 3.26Å; C286-P294 WeakPolarHBondContact O-CA 3.33Å; C286-C295 PolarHBondContact O-N 3.06Å; C286-C301 HydrophobicContact CB-CB 3.59Å; C286-C301 WeakPolarHBondContact CB-SG 2.99Å; C286-C301 WeakPolarHBondContact SG-CB 3.16Å; C286-C301 CovalentContact SG-SG 2.03Å; C286-C301 PolarHBondContact SG-SG 3.06Å; C286-Y318 WeakPolarHBondContact O-CD1 3.1Å |
| 287 | R | 94 | Very high | 84.5 | Confident | 61 Ų | 61 | 63.9 Ų | 63.9 | 23% | 0.23 | 38% | 0.38 | C | S | . | . | trans | -99.4 | 139.9 | 175.4 | -64.3 | -178 | -179.8 | -109 | -2.5 | 110.2 | N284 S289 E292 P294 Y318 | N284-R287 PolarHBondContact O-N 2.9Å; N284-R287 VanDerWaalsContact O-N 3.15Å; R287-S289 VanDerWaalsContact C-N 3.34Å; R287-S289 WeakPolarHBondContact CB-O 3.49Å; R287-E292 VanDerWaalsContact CD-O 3.25Å; R287-E292 WeakPolarHBondContact CD-O 3.22Å; R287-E292 WeakPolarHBondContact CG-O 3.26Å; R287-E292 PolarHBondContact NH1-O 2.81Å; R287-P294 HydrophobicContact CG-CB 4.4Å; R287-P294 HydrophobicContact CG-CG 4.07Å; R287-Y318 VanDerWaalsContact C-CE1 3.49Å; R287-Y318 WeakPolarHBondContact O-CE1 3.32Å | ||
| 288 | S | 93 | Very high | 86.3 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 42% | 0.42 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -73.1 | -31 | 170.3 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | E292 | S288-E292 WeakPolarHBondContact OG-CB 3.01Å; S288-E292 WeakPolarHBondContact OG-CG 3.44Å |
| 289 | S | 90.8 | Very high | 87.6 | Confident | 41 Ų | 41 | 62 Ų | 62 | 29% | 0.287 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -151.1 | 164.1 | 171.6 | 81.6 | 0 | 0 | 0 | 0 | 111.1 | R287 S291 E292 | R287-S289 VanDerWaalsContact C-N 3.34Å; R287-S289 WeakPolarHBondContact CB-O 3.49Å; S289-S291 PolarHBondContact O-N 3.48Å; S289-S291 VanDerWaalsContact O-N 3.12Å; S289-S291 PolarHBondContact OG-OG 2.03Å; S289-E292 PolarHBondContact O-N 3.08Å; S289-E292 WeakPolarHBondContact OG-CG 3.02Å |
| 290 | P | 86.9 | Confident | 88.7 | Confident | 122 Ų | 122 | 60.6 Ų | 60.6 | 79% | 0.792 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.5 | -177.1 | -26.3 | 35.4 | 0 | 0 | 0 | 115.4 | ||
| 291 | S | 88.7 | Confident | 89.4 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 71% | 0.706 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -12.9 | 178.8 | 53.4 | 0 | 0 | 0 | 0 | 114 | S289 | S289-S291 PolarHBondContact O-N 3.48Å; S289-S291 VanDerWaalsContact O-N 3.12Å; S289-S291 PolarHBondContact OG-OG 2.03Å |
| 292 | E | 92.1 | Very high | 89.9 | Confident | 93 Ų | 93 | 60.3 Ų | 60.3 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -88 | 146 | -176.7 | -71.6 | -67.7 | 157.8 | 0 | 0 | 111.1 | R287 S288 S289 | R287-E292 VanDerWaalsContact CD-O 3.25Å; R287-E292 WeakPolarHBondContact CD-O 3.22Å; R287-E292 WeakPolarHBondContact CG-O 3.26Å; R287-E292 PolarHBondContact NH1-O 2.81Å; S288-E292 WeakPolarHBondContact OG-CB 3.01Å; S288-E292 WeakPolarHBondContact OG-CG 3.44Å; S289-E292 PolarHBondContact O-N 3.08Å; S289-E292 WeakPolarHBondContact OG-CG 3.02Å |
| 293 | E | 92 | Very high | 90.3 | Very high | 117 Ų | 117 | 61.9 Ų | 61.9 | 55% | 0.547 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -65 | 146.1 | 176.3 | -71.5 | -59.2 | 146.5 | 0 | 0 | 111.3 | C295 S296 | E293-C295 PolarHBondContact O-N 3.06Å; E293-S296 PolarHBondContact O-N 2.03Å; E293-S296 VanDerWaalsContact O-N 3.1Å |
| 294 | P | 91.5 | Very high | 90.5 | Very high | 26 Ų | 26 | 59 Ų | 59 | 17% | 0.169 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -54.7 | 136.4 | 172.6 | -22 | 34.1 | 0 | 0 | 0 | 110.4 | C286 R287 S296 G297 | C286-P294 HydrophobicContact CB-CB 4.12Å; C286-P294 CarbonylContact O-C 3.26Å; C286-P294 WeakPolarHBondContact O-CA 3.33Å; R287-P294 HydrophobicContact CG-CB 4.4Å; R287-P294 HydrophobicContact CG-CG 4.07Å; P294-S296 PolarHBondContact O-N 3.15Å; P294-S296 VanDerWaalsContact O-N 3.1Å; P294-G297 PolarHBondContact O-N 3.38Å; P294-G297 VanDerWaalsContact O-N 3.1Å |
| 295 | C | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | 53.7 | 30.4 | -178.9 | -49.9 | 0 | 0 | 0 | 0 | 113.5 | C286 E293 G297 R298 C306 Y318 C319 | C286-C295 PolarHBondContact O-N 3.06Å; E293-C295 PolarHBondContact O-N 3.06Å; C295-G297 PolarHBondContact O-N 2.04Å; C295-R298 PolarHBondContact O-N 3.31Å; C295-C306 WeakPolarHBondContact CA-SG 3.29Å; C295-C306 HydrophobicContact CB-CB 3.7Å; C295-C306 WeakPolarHBondContact CB-SG 3.14Å; C295-C306 WeakPolarHBondContact SG-CA 2.99Å; C295-C306 WeakPolarHBondContact SG-CB 3.04Å; C295-C306 CovalentContact SG-SG 2.04Å; C295-C306 PolarHBondContact SG-SG 3.45Å; C295-Y318 CarbonylContact C-O 3.58Å; C295-Y318 WeakPolarHBondContact CA-O 3.14Å; C295-Y318 VanDerWaalsContact O-O 3.09Å; C295-C319 HydrophobicContact CB-CB 4.49Å |
| 296 | S | 94.8 | Very high | 91 | Very high | 33 Ų | 33 | 55.4 Ų | 55.4 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | 51.9 | 24.1 | -177.8 | -67.9 | 0 | 0 | 0 | 0 | 113.4 | E293 P294 R298 Y318 Q320 | E293-S296 PolarHBondContact O-N 2.03Å; E293-S296 VanDerWaalsContact O-N 3.1Å; P294-S296 PolarHBondContact O-N 3.15Å; P294-S296 VanDerWaalsContact O-N 3.1Å; S296-R298 PolarHBondContact O-N 3.15Å; S296-Y318 WeakPolarHBondContact CB-O 3.1Å; S296-Y318 PolarHBondContact N-O 3.28Å; S296-Y318 PolarHBondContact OG-O 3.09Å; S296-Q320 WeakPolarHBondContact OG-CB 3.48Å |
| 297 | G | 93.6 | Very high | 91 | Very high | 59 Ų | 59 | 60.3 Ų | 60.3 | 61% | 0.608 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | 66.6 | 19.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P294 C295 | P294-G297 PolarHBondContact O-N 3.38Å; P294-G297 VanDerWaalsContact O-N 3.1Å; C295-G297 PolarHBondContact O-N 2.04Å |
| 298 | R | 94.4 | Very high | 91.1 | Very high | 82 Ų | 82 | 58.6 Ų | 58.6 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -127.4 | 24.5 | -174 | -63.8 | 171.3 | 179.2 | -168.3 | -1.2 | 112.6 | C295 S296 C308 D309 Y314 C319 | C295-R298 PolarHBondContact O-N 3.31Å; S296-R298 PolarHBondContact O-N 3.15Å; R298-C308 WeakPolarHBondContact O-CA 3.39Å; R298-D309 PolarHBondContact O-N 3.38Å; R298-D309 VanDerWaalsContact O-N 3.09Å; R298-Y314 HydrophobicContact CB-CD2 4.08Å; R298-Y314 HydrophobicContact CB-CE2 4.36Å; R298-Y314 HydrophobicContact CB-CG 4.22Å; R298-Y314 HydrophobicContact CG-CD2 4.49Å; R298-Y314 HydrophobicContact CG-CE1 4.45Å; R298-Y314 HydrophobicContact CG-CE2 4.36Å; R298-C319 HydrophobicContact CB-CB 4.05Å; R298-C319 WeakPolarHBondContact CD-O 3Å |
| 299 | G | 92.4 | Very high | 91.1 | Very high | 17 Ų | 17 | 60.7 Ų | 60.7 | 18% | 0.175 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | 174 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E307 D309 | G299-E307 CarbonylContact C-O 3.6Å; G299-E307 WeakPolarHBondContact CA-O 3.32Å; G299-D309 WeakPolarHBondContact CA-OD1 3.47Å; G299-D309 PolarHBondContact N-OD2 3.27Å |
| 300 | T | 90.6 | Very high | 91.1 | Very high | 72 Ų | 72 | 60.5 Ų | 60.5 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 129.8 | 178.8 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | K302 E307 | T300-K302 HydrophobicContact CG2-CG 4.14Å; T300-K302 PolarHBondContact O-N 3.5Å; T300-E307 PolarHBondContact N-O 3.02Å; T300-E307 PolarHBondContact O-N 3.28Å |
| 301 | C | 88 | Confident | 91.2 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 22% | 0.216 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 105.6 | 176.1 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | L283 C286 | L283-C301 HydrophobicContact CD2-CB 4.18Å; C286-C301 HydrophobicContact CB-CB 3.59Å; C286-C301 WeakPolarHBondContact CB-SG 2.99Å; C286-C301 WeakPolarHBondContact SG-CB 3.16Å; C286-C301 CovalentContact SG-SG 2.03Å; C286-C301 PolarHBondContact SG-SG 3.06Å |
| 302 | K | 87.1 | Confident | 91.2 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 117.8 | 176.2 | -63.9 | -170.6 | -171.3 | 164.4 | 0 | 110.1 | T300 G304 A305 E307 | T300-K302 HydrophobicContact CG2-CG 4.14Å; T300-K302 PolarHBondContact O-N 3.5Å; K302-G304 PolarHBondContact O-N 3.49Å; K302-G304 VanDerWaalsContact O-N 3.09Å; K302-A305 PolarHBondContact N-O 3.39Å; K302-A305 PolarHBondContact O-N 2.9Å; K302-A305 VanDerWaalsContact O-O 3.07Å; K302-E307 WeakPolarHBondContact CD-OE2 3.47Å; K302-E307 WeakPolarHBondContact CE-OE2 3.47Å; K302-E307 VanDerWaalsContact NZ-CD 3.27Å; K302-E307 IonicContact NZ-OE1 3.24Å; K302-E307 PolarHBondContact NZ-OE1 3.19Å; K302-E307 IonicContact NZ-OE2 2.66Å; K302-E307 PolarHBondContact NZ-OE2 3.31Å |
| 303 | C | 83.4 | Confident | 91.2 | Very high | 57 Ų | 57 | 60.4 Ų | 60.4 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 36.1 | 178.2 | -51.6 | 0 | 0 | 0 | 0 | 115.4 | C270 A305 | C270-C303 WeakPolarHBondContact CA-SG 2.97Å; C270-C303 HydrophobicContact CB-CB 3.82Å; C270-C303 WeakPolarHBondContact CB-SG 3.38Å; C270-C303 WeakPolarHBondContact SG-CA 3.26Å; C270-C303 WeakPolarHBondContact SG-CB 3.41Å; C270-C303 PolarHBondContact SG-N 3.08Å; C270-C303 CovalentContact SG-SG 2.04Å; C270-C303 PolarHBondContact SG-SG 3.12Å; C303-A305 VanDerWaalsContact C-N 3.34Å |
| 304 | G | 85.4 | Confident | 91.3 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 5.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L282 K302 | L282-G304 VanDerWaalsContact CD1-N 3.3Å; K302-G304 PolarHBondContact O-N 3.49Å; K302-G304 VanDerWaalsContact O-N 3.09Å |
| 305 | A | 91.1 | Very high | 91.3 | Very high | 60 Ų | 60 | 57.2 Ų | 57.2 | 50% | 0.496 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | K302 C303 | K302-A305 PolarHBondContact N-O 3.39Å; K302-A305 PolarHBondContact O-N 2.9Å; K302-A305 VanDerWaalsContact O-O 3.07Å; C303-A305 VanDerWaalsContact C-N 3.34Å |
| 306 | C | 93.1 | Very high | 91.2 | Very high | 26 Ų | 26 | 59 Ų | 59 | 18% | 0.176 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 133.1 | 176.8 | -69.5 | 0 | 0 | 0 | 0 | 111.7 | C295 K317 | C295-C306 WeakPolarHBondContact CA-SG 3.29Å; C295-C306 HydrophobicContact CB-CB 3.7Å; C295-C306 WeakPolarHBondContact CB-SG 3.14Å; C295-C306 WeakPolarHBondContact SG-CA 2.99Å; C295-C306 WeakPolarHBondContact SG-CB 3.04Å; C295-C306 CovalentContact SG-SG 2.04Å; C295-C306 PolarHBondContact SG-SG 3.45Å; C306-K317 WeakPolarHBondContact CB-O 3.42Å |
| 307 | E | 93.9 | Very high | 91.2 | Very high | 105 Ų | 105 | 64.1 Ų | 64.1 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 112 | 165.8 | -175.1 | 176.5 | 150.5 | 0 | 0 | 107.7 | G299 T300 K302 | G299-E307 CarbonylContact C-O 3.6Å; G299-E307 WeakPolarHBondContact CA-O 3.32Å; T300-E307 PolarHBondContact N-O 3.02Å; T300-E307 PolarHBondContact O-N 3.28Å; K302-E307 WeakPolarHBondContact CD-OE2 3.47Å; K302-E307 WeakPolarHBondContact CE-OE2 3.47Å; K302-E307 VanDerWaalsContact NZ-CD 3.27Å; K302-E307 IonicContact NZ-OE1 3.24Å; K302-E307 PolarHBondContact NZ-OE1 3.19Å; K302-E307 IonicContact NZ-OE2 2.66Å; K302-E307 PolarHBondContact NZ-OE2 3.31Å |
| 308 | C | 94.4 | Very high | 91.3 | Very high | 24 Ų | 24 | 63.6 Ų | 63.6 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 139.1 | -173.1 | -49.1 | 0 | 0 | 0 | 0 | 111.4 | R298 S310 C319 | R298-C308 WeakPolarHBondContact O-CA 3.39Å; C308-S310 PolarHBondContact O-N 2.69Å; C308-C319 WeakPolarHBondContact CA-SG 3.5Å; C308-C319 HydrophobicContact CB-CB 3.85Å; C308-C319 WeakPolarHBondContact CB-SG 2.98Å; C308-C319 WeakPolarHBondContact SG-CA 3.37Å; C308-C319 WeakPolarHBondContact SG-CB 2.96Å; C308-C319 CovalentContact SG-SG 2.04Å; C308-C319 PolarHBondContact SG-SG 3.33Å |
| 309 | D | 92.9 | Very high | 91.3 | Very high | 104 Ų | 104 | 59.7 Ų | 59.7 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -67.3 | -21.5 | -172.4 | -60.9 | -32 | 0 | 0 | 0 | 113.2 | R298 G299 | R298-D309 PolarHBondContact O-N 3.38Å; R298-D309 VanDerWaalsContact O-N 3.09Å; G299-D309 WeakPolarHBondContact CA-OD1 3.47Å; G299-D309 PolarHBondContact N-OD2 3.27Å |
| 310 | S | 92.4 | Very high | 91.4 | Very high | 38 Ų | 38 | 62.8 Ų | 62.8 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | trans | -140.7 | 79.2 | 179.1 | -54.6 | 0 | 0 | 0 | 0 | 108.4 | C308 E312 K313 Y314 | C308-S310 PolarHBondContact O-N 2.69Å; S310-E312 WeakPolarHBondContact CB-OE1 3.18Å; S310-E312 PolarHBondContact O-N 3.31Å; S310-E312 VanDerWaalsContact O-N 3.11Å; S310-K313 WeakPolarHBondContact O-CA 3.39Å; S310-K313 PolarHBondContact O-N 3.11Å; S310-Y314 PolarHBondContact O-N 2.66Å | ||
| 311 | P | 89.4 | Confident | 91.6 | Very high | 97 Ų | 97 | 59.7 Ų | 59.7 | 63% | 0.63 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.1 | -172.1 | 25.6 | -34.7 | 0 | 0 | 0 | 114.1 | K313 | P311-K313 VanDerWaalsContact C-N 3.33Š|
| 312 | E | 88.2 | Confident | 91.8 | Very high | 148 Ų | 148 | 59.6 Ų | 59.6 | 69% | 0.692 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -19.2 | 170 | 68.2 | -75.5 | 174.4 | 0 | 0 | 114 | S310 | S310-E312 WeakPolarHBondContact CB-OE1 3.18Å; S310-E312 PolarHBondContact O-N 3.31Å; S310-E312 VanDerWaalsContact O-N 3.11Å |
| 313 | K | 91 | Very high | 91.9 | Very high | 69 Ų | 69 | 56.7 Ų | 56.7 | 30% | 0.3 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -39.9 | -177.9 | -179.7 | 176.7 | -175.2 | -164.3 | 0 | 112.6 | S310 P311 D323 T324 | S310-K313 WeakPolarHBondContact O-CA 3.39Å; S310-K313 PolarHBondContact O-N 3.11Å; P311-K313 VanDerWaalsContact C-N 3.33Å; K313-D323 PolarHBondContact O-N 2.03Å; K313-T324 HydrophobicContact CB-CG2 4.26Å; K313-T324 HydrophobicContact CD-CG2 4.46Å; K313-T324 WeakPolarHBondContact CE-OG1 3.29Å; K313-T324 HydrophobicContact CG-CG2 3.79Å |
| 314 | Y | 93.8 | Very high | 92.2 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133 | -174.2 | -55.6 | -57.4 | 0 | 0 | 0 | 111.4 | R298 S310 C321 D322 | R298-Y314 HydrophobicContact CB-CD2 4.08Å; R298-Y314 HydrophobicContact CB-CE2 4.36Å; R298-Y314 HydrophobicContact CB-CG 4.22Å; R298-Y314 HydrophobicContact CG-CD2 4.49Å; R298-Y314 HydrophobicContact CG-CE1 4.45Å; R298-Y314 HydrophobicContact CG-CE2 4.36Å; S310-Y314 PolarHBondContact O-N 2.66Å; Y314-C321 VanDerWaalsContact CA-O 3.25Å; Y314-C321 WeakPolarHBondContact CA-O 3.16Å; Y314-D322 HydrophobicContact CD1-CB 4.39Å; Y314-D322 HydrophobicContact CE1-CB 4.39Å |
| 315 | S | 92.8 | Very high | 92.3 | Very high | 36 Ų | 36 | 60.3 Ų | 60.3 | 25% | 0.252 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | -175.9 | -178.6 | 72.3 | 0 | 0 | 0 | 0 | 112.3 | C319 Q320 C321 D323 | S315-C319 CarbonylContact O-C 3.25Å; S315-C319 VanDerWaalsContact O-C 3.29Å; S315-C319 VanDerWaalsContact O-CA 3.24Å; S315-C319 WeakPolarHBondContact O-CA 3.49Å; S315-Q320 PolarHBondContact O-N 3.24Å; S315-C321 PolarHBondContact N-O 3.2Å; S315-C321 VanDerWaalsContact N-O 3.15Å; S315-C321 VanDerWaalsContact O-CB 3.27Å; S315-C321 WeakPolarHBondContact O-CB 3.31Å; S315-C321 PolarHBondContact O-N 3.09Å; S315-C321 VanDerWaalsContact OG-CB 3.28Å; S315-C321 WeakPolarHBondContact OG-CB 2.99Å; S315-D323 WeakPolarHBondContact CB-OD2 3.16Å; S315-D323 VanDerWaalsContact OG-CG 3.27Å; S315-D323 PolarHBondContact OG-OD1 3.2Å; S315-D323 PolarHBondContact OG-OD2 2.97Å |
| 316 | G | 92.3 | Very high | 92.4 | Very high | 36 Ų | 36 | 57.9 Ų | 57.9 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 88 | 162.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y318 C319 | G316-Y318 PolarHBondContact O-N 3.33Å; G316-C319 PolarHBondContact O-N 3.5Å |
| 317 | K | 94.6 | Very high | 92.4 | Very high | 142 Ų | 142 | 59.2 Ų | 59.2 | 62% | 0.617 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -30.5 | -176.2 | -178.6 | 179.3 | 174.9 | -165.4 | 0 | 113.7 | C306 | C306-K317 WeakPolarHBondContact CB-O 3.42Š|
| 318 | Y | 95.3 | Very high | 92.2 | Very high | 47 Ų | 47 | 56.7 Ų | 56.7 | 18% | 0.184 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 18.4 | -176.7 | -51.1 | -71.6 | 0 | 0 | 0 | 111.7 | Q285 C286 R287 C295 S296 G316 Q320 | Q285-Y318 VanDerWaalsContact O-CE1 3.32Å; Q285-Y318 WeakPolarHBondContact O-CE1 3.49Å; C286-Y318 WeakPolarHBondContact O-CD1 3.1Å; R287-Y318 VanDerWaalsContact C-CE1 3.49Å; R287-Y318 WeakPolarHBondContact O-CE1 3.32Å; C295-Y318 CarbonylContact C-O 3.58Å; C295-Y318 WeakPolarHBondContact CA-O 3.14Å; C295-Y318 VanDerWaalsContact O-O 3.09Å; S296-Y318 WeakPolarHBondContact CB-O 3.1Å; S296-Y318 PolarHBondContact N-O 3.28Å; S296-Y318 PolarHBondContact OG-O 3.09Å; G316-Y318 PolarHBondContact O-N 3.33Å; Y318-Q320 VanDerWaalsContact CA-OE1 3.31Å; Y318-Q320 PolarHBondContact O-N 2.9Å; Y318-Q320 VanDerWaalsContact O-N 3.08Å |
| 319 | C | 96 | Very high | 91.7 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 53.9 | 26.5 | -173.5 | -52.1 | 0 | 0 | 0 | 0 | 113.7 | C295 R298 C308 S315 G316 | C295-C319 HydrophobicContact CB-CB 4.49Å; R298-C319 HydrophobicContact CB-CB 4.05Å; R298-C319 WeakPolarHBondContact CD-O 3Å; C308-C319 WeakPolarHBondContact CA-SG 3.5Å; C308-C319 HydrophobicContact CB-CB 3.85Å; C308-C319 WeakPolarHBondContact CB-SG 2.98Å; C308-C319 WeakPolarHBondContact SG-CA 3.37Å; C308-C319 WeakPolarHBondContact SG-CB 2.96Å; C308-C319 CovalentContact SG-SG 2.04Å; C308-C319 PolarHBondContact SG-SG 3.33Å; S315-C319 CarbonylContact O-C 3.25Å; S315-C319 VanDerWaalsContact O-C 3.29Å; S315-C319 VanDerWaalsContact O-CA 3.24Å; S315-C319 WeakPolarHBondContact O-CA 3.49Å; G316-C319 PolarHBondContact O-N 3.5Å |
| 320 | Q | 93.9 | Very high | 91.3 | Very high | 82 Ų | 82 | 58.8 Ų | 58.8 | 38% | 0.383 | 34% | 0.342 | S | S | . | . | trans | -80.4 | -20.4 | -174.1 | 76.4 | -79 | 2.1 | 0 | 0 | 113.1 | S296 S315 Y318 | S296-Q320 WeakPolarHBondContact OG-CB 3.48Å; S315-Q320 PolarHBondContact O-N 3.24Å; Y318-Q320 VanDerWaalsContact CA-OE1 3.31Å; Y318-Q320 PolarHBondContact O-N 2.9Å; Y318-Q320 VanDerWaalsContact O-N 3.08Å | ||
| 321 | C | 94.4 | Very high | 91 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 5% | 0.054 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 137.7 | -178.3 | -62 | 0 | 0 | 0 | 0 | 110 | Y314 S315 C342 | Y314-C321 VanDerWaalsContact CA-O 3.25Å; Y314-C321 WeakPolarHBondContact CA-O 3.16Å; S315-C321 PolarHBondContact N-O 3.2Å; S315-C321 VanDerWaalsContact N-O 3.15Å; S315-C321 VanDerWaalsContact O-CB 3.27Å; S315-C321 WeakPolarHBondContact O-CB 3.31Å; S315-C321 PolarHBondContact O-N 3.09Å; S315-C321 VanDerWaalsContact OG-CB 3.28Å; S315-C321 WeakPolarHBondContact OG-CB 2.99Å; C321-C342 HydrophobicContact CB-CB 3.63Å; C321-C342 WeakPolarHBondContact CB-SG 3.21Å; C321-C342 WeakPolarHBondContact SG-CB 3.44Å; C321-C342 CovalentContact SG-SG 2.03Å; C321-C342 PolarHBondContact SG-SG 2.84Å |
| 322 | D | 91.4 | Very high | 91.1 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 16% | 0.16 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 103.5 | 168.8 | -171.4 | -37.5 | 0 | 0 | 0 | 108.2 | Y314 T324 S325 | Y314-D322 HydrophobicContact CD1-CB 4.39Å; Y314-D322 HydrophobicContact CE1-CB 4.39Å; D322-T324 PolarHBondContact O-N 3.31Å; D322-T324 WeakPolarHBondContact OD1-CA 3.45Å; D322-T324 WeakPolarHBondContact OD1-CB 3.24Å; D322-T324 PolarHBondContact OD1-N 3.23Å; D322-T324 PolarHBondContact OD1-OG1 3.13Å; D322-S325 VanDerWaalsContact CG-OG 3.23Å; D322-S325 PolarHBondContact O-N 3.19Å; D322-S325 PolarHBondContact OD1-OG 2.96Å |
| 323 | D | 89.7 | Confident | 91.3 | Very high | 30 Ų | 30 | 59.8 Ų | 59.8 | 16% | 0.16 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 9.7 | -176.6 | -63.6 | -25.7 | 0 | 0 | 0 | 112.3 | K313 S315 C340 C342 | K313-D323 PolarHBondContact O-N 2.03Å; S315-D323 WeakPolarHBondContact CB-OD2 3.16Å; S315-D323 VanDerWaalsContact OG-CG 3.27Å; S315-D323 PolarHBondContact OG-OD1 3.2Å; S315-D323 PolarHBondContact OG-OD2 2.97Å; D323-C340 VanDerWaalsContact C-SG 3.5Å; D323-C340 VanDerWaalsContact O-CB 3.27Å; D323-C340 WeakPolarHBondContact O-CB 3.37Å; D323-C340 PolarHBondContact O-SG 2.88Å; D323-C342 WeakPolarHBondContact OD1-CA 3.49Å; D323-C342 PolarHBondContact OD1-N 3.25Å |
| 324 | T | 89.2 | Confident | 91.5 | Very high | 66 Ų | 66 | 56.6 Ų | 56.6 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 0.7 | 170.8 | 64.7 | 0 | 0 | 0 | 0 | 113.3 | K313 D322 | K313-T324 HydrophobicContact CB-CG2 4.26Å; K313-T324 HydrophobicContact CD-CG2 4.46Å; K313-T324 WeakPolarHBondContact CE-OG1 3.29Å; K313-T324 HydrophobicContact CG-CG2 3.79Å; D322-T324 PolarHBondContact O-N 3.31Å; D322-T324 WeakPolarHBondContact OD1-CA 3.45Å; D322-T324 WeakPolarHBondContact OD1-CB 3.24Å; D322-T324 PolarHBondContact OD1-N 3.23Å; D322-T324 PolarHBondContact OD1-OG1 3.13Å |
| 325 | S | 89.2 | Confident | 91.5 | Very high | 78 Ų | 78 | 55.6 Ų | 55.6 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | trans | -103.4 | 13.2 | -174 | -60.2 | 0 | 0 | 0 | 0 | 114.4 | D322 | D322-S325 VanDerWaalsContact CG-OG 3.23Å; D322-S325 PolarHBondContact O-N 3.19Å; D322-S325 PolarHBondContact OD1-OG 2.96Å | ||
| 326 | C | 92 | Very high | 91.6 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | trans | -69.9 | 153.7 | 178.6 | -82 | 0 | 0 | 0 | 0 | 113.1 | L333 C340 T344 | C326-L333 HydrophobicContact CB-CD2 4.25Å; C326-L333 VanDerWaalsContact O-CD2 3.23Å; C326-L333 WeakPolarHBondContact O-CD2 3.36Å; C326-C340 HydrophobicContact CB-CB 3.68Å; C326-C340 WeakPolarHBondContact CB-SG 3.44Å; C326-C340 WeakPolarHBondContact SG-CA 3.28Å; C326-C340 WeakPolarHBondContact SG-CB 3.29Å; C326-C340 CovalentContact SG-SG 2.01Å; C326-C340 PolarHBondContact SG-SG 2.04Å; C326-T344 VanDerWaalsContact SG-C 3.58Å; C326-T344 PolarHBondContact SG-N 3.47Å | ||
| 327 | P | 93 | Very high | 91.7 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | trans | -60.7 | 147.9 | 171.5 | 29.3 | -37.3 | 0 | 0 | 0 | 111 | C334 P354 A355 | P327-C334 PolarHBondContact O-N 2.86Å; P327-C334 VanDerWaalsContact O-N 3.08Å; P327-P354 HydrophobicContact CG-CB 4.45Å; P327-P354 WeakPolarHBondContact CG-O 3.46Å; P327-A355 HydrophobicContact CB-CB 4.14Å; P327-A355 HydrophobicContact CG-CB 4.44Å | ||
| 328 | S | 89.6 | Confident | 91.7 | Very high | 52 Ų | 52 | 52.9 Ų | 52.9 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | trans | -139.4 | 137.8 | 178.4 | 174.2 | 0 | 0 | 0 | 0 | 108.5 | G330 E332 | S328-G330 PolarHBondContact OG-N 2.01Å; S328-G330 PolarHBondContact OG-O 3.45Å; S328-E332 WeakPolarHBondContact CB-O 3.4Å; S328-E332 PolarHBondContact OG-O 2.59Å | ||
| 329 | N | 85.5 | Confident | 91.6 | Very high | 108 Ų | 108 | 59.3 Ų | 59.3 | 58% | 0.578 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -113.4 | 70.8 | 166.2 | -160.4 | -1.3 | 0 | 0 | 0 | 108.4 | S335 A355 D357 | N329-S335 PolarHBondContact N-OG 2.76Å; N329-A355 HydrophobicContact CB-CB 4.33Å; N329-D357 HydrophobicContact CB-CB 3.93Å; N329-D357 PolarHBondContact ND2-OD2 3.44Å |
| 330 | G | 82.8 | Confident | 91.5 | Very high | 64 Ų | 64 | 60.1 Ų | 60.1 | 66% | 0.66 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 151.4 | -152.6 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | S328 | S328-G330 PolarHBondContact OG-N 2.01Å; S328-G330 PolarHBondContact OG-O 3.45Å |
| 331 | A | 86.8 | Confident | 91.4 | Very high | 111 Ų | 111 | 59 Ų | 59 | 92% | 0.917 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -86.1 | -23.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 332 | E | 91.8 | Very high | 91.2 | Very high | 127 Ų | 127 | 61.9 Ų | 61.9 | 59% | 0.593 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -105.4 | 140 | -173.2 | -63.6 | -174.6 | 165.8 | 0 | 0 | 111.6 | S328 S335 G336 | S328-E332 WeakPolarHBondContact CB-O 3.4Å; S328-E332 PolarHBondContact OG-O 2.59Å; E332-S335 WeakPolarHBondContact O-CA 3.43Å; E332-S335 PolarHBondContact O-N 3.26Å; E332-S335 VanDerWaalsContact O-N 3.08Å; E332-G336 WeakPolarHBondContact OE2-CA 3.05Å |
| 333 | L | 92.2 | Very high | 91.1 | Very high | 67 Ų | 67 | 61.9 Ų | 61.9 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -57.7 | 140.8 | 173.6 | -68 | 169.5 | 0 | 0 | 0 | 110.1 | C326 S335 G336 | C326-L333 HydrophobicContact CB-CD2 4.25Å; C326-L333 VanDerWaalsContact O-CD2 3.23Å; C326-L333 WeakPolarHBondContact O-CD2 3.36Å; L333-S335 PolarHBondContact O-N 3.19Å; L333-S335 VanDerWaalsContact O-N 3.11Å; L333-G336 PolarHBondContact O-N 2.84Å |
| 334 | C | 95.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.007 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | 54.6 | 30.5 | -176.1 | -50.5 | 0 | 0 | 0 | 0 | 112.9 | P327 G336 R337 C345 A355 C356 | P327-C334 PolarHBondContact O-N 2.86Å; P327-C334 VanDerWaalsContact O-N 3.08Å; C334-G336 PolarHBondContact O-N 3.35Å; C334-R337 PolarHBondContact O-N 3.31Å; C334-C345 WeakPolarHBondContact CA-SG 3.08Å; C334-C345 HydrophobicContact CB-CB 3.64Å; C334-C345 WeakPolarHBondContact CB-SG 3.49Å; C334-C345 WeakPolarHBondContact SG-CA 3.4Å; C334-C345 WeakPolarHBondContact SG-CB 3.22Å; C334-C345 CovalentContact SG-SG 2.03Å; C334-C345 PolarHBondContact SG-SG 3.21Å; C334-A355 CarbonylContact C-O 3.6Å; C334-A355 WeakPolarHBondContact CA-O 3.43Å; C334-C356 HydrophobicContact CB-CB 4.48Å; C334-C356 WeakPolarHBondContact O-CB 3.47Å |
| 335 | S | 94.4 | Very high | 91.5 | Very high | 20 Ų | 20 | 62.6 Ų | 62.6 | 14% | 0.14 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | 52.8 | 27.1 | -180 | -46 | 0 | 0 | 0 | 0 | 113.9 | N329 E332 L333 R337 A355 | N329-S335 PolarHBondContact N-OG 2.76Å; E332-S335 WeakPolarHBondContact O-CA 3.43Å; E332-S335 PolarHBondContact O-N 3.26Å; E332-S335 VanDerWaalsContact O-N 3.08Å; L333-S335 PolarHBondContact O-N 3.19Å; L333-S335 VanDerWaalsContact O-N 3.11Å; S335-R337 WeakPolarHBondContact O-CG 3.35Å; S335-R337 PolarHBondContact O-N 2.87Å; S335-A355 VanDerWaalsContact CB-O 3.32Å; S335-A355 WeakPolarHBondContact CB-O 3.43Å; S335-A355 PolarHBondContact N-O 2.87Å; S335-A355 PolarHBondContact OG-O 2.86Å |
| 336 | G | 94.1 | Very high | 91.9 | Very high | 39 Ų | 39 | 66.3 Ų | 66.3 | 40% | 0.402 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | 71.2 | 10 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E332 L333 C334 | E332-G336 WeakPolarHBondContact OE2-CA 3.05Å; L333-G336 PolarHBondContact O-N 2.84Å; C334-G336 PolarHBondContact O-N 3.35Å |
| 337 | R | 95 | Very high | 92.1 | Very high | 98 Ų | 98 | 67.9 Ų | 67.9 | 37% | 0.37 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -129.3 | 29.6 | -167.6 | -68.2 | 159.8 | 172.8 | -179.8 | -0.3 | 112.1 | C334 S335 C347 D348 W351 C356 | C334-R337 PolarHBondContact O-N 3.31Å; S335-R337 WeakPolarHBondContact O-CG 3.35Å; S335-R337 PolarHBondContact O-N 2.87Å; R337-C347 WeakPolarHBondContact O-CA 3.06Å; R337-D348 WeakPolarHBondContact CA-OD2 3.35Å; R337-D348 PolarHBondContact O-N 3.01Å; R337-W351 HydrophobicContact CB-CB 4.41Å; R337-W351 HydrophobicContact CB-CD2 4.17Å; R337-W351 HydrophobicContact CB-CG 3.9Å; R337-W351 HydrophobicContact CG-CD2 4.13Å; R337-W351 HydrophobicContact CG-CG 4.31Å; R337-C356 HydrophobicContact CB-CB 4.22Å; R337-C356 WeakPolarHBondContact O-CB 3.02Å |
| 338 | G | 94.2 | Very high | 92.3 | Very high | 20 Ų | 20 | 69.5 Ų | 69.5 | 21% | 0.206 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.2 | 169.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R346 D348 | G338-R346 CarbonylContact C-O 3.56Å; G338-R346 WeakPolarHBondContact CA-O 3.25Å; G338-D348 PolarHBondContact N-OD2 2.97Å |
| 339 | R | 93.8 | Very high | 92.6 | Very high | 181 Ų | 181 | 74.4 Ų | 74.4 | 68% | 0.683 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.2 | 174.9 | -179.1 | 173.5 | -67.9 | 175.1 | -0.6 | 110.1 | E341 R346 | R339-E341 HydrophobicContact CG-CG 4.11Å; R339-E341 PolarHBondContact O-N 3.45Å; R339-R346 PolarHBondContact N-O 3.09Å; R339-R346 PolarHBondContact O-N 3.17Å |
| 340 | C | 92.6 | Very high | 93 | Very high | 17 Ų | 17 | 70.1 Ų | 70.1 | 12% | 0.115 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 125.8 | 169.6 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | D323 C326 | D323-C340 VanDerWaalsContact C-SG 3.5Å; D323-C340 VanDerWaalsContact O-CB 3.27Å; D323-C340 WeakPolarHBondContact O-CB 3.37Å; D323-C340 PolarHBondContact O-SG 2.88Å; C326-C340 HydrophobicContact CB-CB 3.68Å; C326-C340 WeakPolarHBondContact CB-SG 3.44Å; C326-C340 WeakPolarHBondContact SG-CA 3.28Å; C326-C340 WeakPolarHBondContact SG-CB 3.29Å; C326-C340 CovalentContact SG-SG 2.01Å; C326-C340 PolarHBondContact SG-SG 2.04Å |
| 341 | E | 91.4 | Very high | 93.7 | Very high | 59 Ų | 59 | 70.3 Ų | 70.3 | 28% | 0.276 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 108.7 | 174.2 | -64 | -169.7 | -165.8 | 0 | 0 | 109.9 | R339 G343 T344 R346 | R339-E341 HydrophobicContact CG-CG 4.11Å; R339-E341 PolarHBondContact O-N 3.45Å; E341-G343 VanDerWaalsContact C-N 3.28Å; E341-G343 PolarHBondContact O-N 2.88Å; E341-T344 PolarHBondContact N-O 3.21Å; E341-T344 PolarHBondContact O-N 2.88Å; E341-R346 VanDerWaalsContact CD-CD 3.47Å; E341-R346 HydrophobicContact CG-CG 4.22Å; E341-R346 VanDerWaalsContact OE1-CD 3.24Å; E341-R346 WeakPolarHBondContact OE1-CD 3.23Å; E341-R346 IonicContact OE1-CZ 3.41Å; E341-R346 IonicContact OE1-NE 3.53Å; E341-R346 IonicContact OE1-NH1 2.86Å; E341-R346 PolarHBondContact OE1-NH1 2.9Å; E341-R346 IonicContact OE2-CZ 2.69Å; E341-R346 IonicContact OE2-NE 3Å; E341-R346 PolarHBondContact OE2-NE 2.94Å; E341-R346 IonicContact OE2-NH1 2.83Å; E341-R346 PolarHBondContact OE2-NH1 2.96Å; E341-R346 IonicContact OE2-NH2 3.08Å; E341-R346 PolarHBondContact OE2-NH2 3.19Å; E341-R346 VanDerWaalsContact OE2-NH2 3.08Å |
| 342 | C | 91.3 | Very high | 94.1 | Very high | 68 Ų | 68 | 68.5 Ų | 68.5 | 46% | 0.459 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 46.3 | 178.8 | -149.7 | 0 | 0 | 0 | 0 | 113.5 | C321 D323 T344 | C321-C342 HydrophobicContact CB-CB 3.63Å; C321-C342 WeakPolarHBondContact CB-SG 3.21Å; C321-C342 WeakPolarHBondContact SG-CB 3.44Å; C321-C342 CovalentContact SG-SG 2.03Å; C321-C342 PolarHBondContact SG-SG 2.84Å; D323-C342 WeakPolarHBondContact OD1-CA 3.49Å; D323-C342 PolarHBondContact OD1-N 3.25Å; C342-T344 VanDerWaalsContact C-N 3.33Å; C342-T344 PolarHBondContact O-N 2.86Å |
| 343 | G | 88.3 | Confident | 94.2 | Very high | 31 Ų | 31 | 63.7 Ų | 63.7 | 32% | 0.32 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 2.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | E341 | E341-G343 VanDerWaalsContact C-N 3.28Å; E341-G343 PolarHBondContact O-N 2.88Å |
| 344 | T | 93.5 | Very high | 94.3 | Very high | 96 Ų | 96 | 65.7 Ų | 65.7 | 59% | 0.589 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 132.7 | 176 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | C326 E341 C342 | C326-T344 VanDerWaalsContact SG-C 3.58Å; C326-T344 PolarHBondContact SG-N 3.47Å; E341-T344 PolarHBondContact N-O 3.21Å; E341-T344 PolarHBondContact O-N 2.88Å; C342-T344 VanDerWaalsContact C-N 3.33Å; C342-T344 PolarHBondContact O-N 2.86Å |
| 345 | C | 95.2 | Very high | 94.3 | Very high | 14 Ų | 14 | 66.1 Ų | 66.1 | 10% | 0.095 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 124.2 | 175.2 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | C334 P354 C356 | C334-C345 WeakPolarHBondContact CA-SG 3.08Å; C334-C345 HydrophobicContact CB-CB 3.64Å; C334-C345 WeakPolarHBondContact CB-SG 3.49Å; C334-C345 WeakPolarHBondContact SG-CA 3.4Å; C334-C345 WeakPolarHBondContact SG-CB 3.22Å; C334-C345 CovalentContact SG-SG 2.03Å; C334-C345 PolarHBondContact SG-SG 3.21Å; C345-P354 WeakPolarHBondContact CB-O 3.4Å; C345-C356 WeakPolarHBondContact CB-SG 2.91Å |
| 346 | R | 96.3 | Very high | 94.4 | Very high | 157 Ų | 157 | 65.1 Ų | 65.1 | 59% | 0.592 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 102.8 | 163.2 | -69.7 | -150.9 | 178.2 | 149.4 | -3.3 | 109 | G338 R339 E341 | G338-R346 CarbonylContact C-O 3.56Å; G338-R346 WeakPolarHBondContact CA-O 3.25Å; R339-R346 PolarHBondContact N-O 3.09Å; R339-R346 PolarHBondContact O-N 3.17Å; E341-R346 VanDerWaalsContact CD-CD 3.47Å; E341-R346 HydrophobicContact CG-CG 4.22Å; E341-R346 VanDerWaalsContact OE1-CD 3.24Å; E341-R346 WeakPolarHBondContact OE1-CD 3.23Å; E341-R346 IonicContact OE1-CZ 3.41Å; E341-R346 IonicContact OE1-NE 3.53Å; E341-R346 IonicContact OE1-NH1 2.86Å; E341-R346 PolarHBondContact OE1-NH1 2.9Å; E341-R346 IonicContact OE2-CZ 2.69Å; E341-R346 IonicContact OE2-NE 3Å; E341-R346 PolarHBondContact OE2-NE 2.94Å; E341-R346 IonicContact OE2-NH1 2.83Å; E341-R346 PolarHBondContact OE2-NH1 2.96Å; E341-R346 IonicContact OE2-NH2 3.08Å; E341-R346 PolarHBondContact OE2-NH2 3.19Å; E341-R346 VanDerWaalsContact OE2-NH2 3.08Å |
| 347 | C | 96.8 | Very high | 94.5 | Very high | 42 Ų | 42 | 66.3 Ų | 66.3 | 28% | 0.284 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 145.2 | -176.2 | -52.3 | 0 | 0 | 0 | 0 | 112.5 | R337 W351 G353 C356 | R337-C347 WeakPolarHBondContact O-CA 3.06Å; C347-W351 HydrophobicContact CB-CB 4.07Å; C347-W351 VanDerWaalsContact CB-O 3.26Å; C347-W351 WeakPolarHBondContact CB-O 3.33Å; C347-G353 PolarHBondContact SG-O 3.21Å; C347-C356 WeakPolarHBondContact CA-SG 3.4Å; C347-C356 HydrophobicContact CB-CB 3.67Å; C347-C356 WeakPolarHBondContact CB-SG 3.03Å; C347-C356 PolarHBondContact N-SG 3.02Å; C347-C356 WeakPolarHBondContact SG-CA 3.42Å; C347-C356 WeakPolarHBondContact SG-CB 3.46Å; C347-C356 CovalentContact SG-SG 2.04Å; C347-C356 PolarHBondContact SG-SG 3.23Å |
| 348 | D | 96.9 | Very high | 94.5 | Very high | 88 Ų | 88 | 62.2 Ų | 62.2 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 156.9 | 170.5 | -64.9 | -36.7 | 0 | 0 | 0 | 110.3 | R337 G338 G350 W351 | R337-D348 WeakPolarHBondContact CA-OD2 3.35Å; R337-D348 PolarHBondContact O-N 3.01Å; G338-D348 PolarHBondContact N-OD2 2.97Å; D348-G350 PolarHBondContact O-N 3.17Å; D348-W351 PolarHBondContact O-N 3.38Å |
| 349 | V | 95.9 | Very high | 94.5 | Very high | 154 Ų | 154 | 62.6 Ų | 62.6 | 93% | 0.933 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 128.1 | 177.4 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 350 | G | 95.2 | Very high | 94.5 | Very high | 19 Ų | 19 | 57.9 Ų | 57.9 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.8 | -7.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D348 T359 T360 | D348-G350 PolarHBondContact O-N 3.17Å; G350-T359 CarbonylContact O-C 3.58Å; G350-T359 WeakPolarHBondContact O-CA 3.27Å; G350-T360 VanDerWaalsContact CA-OG1 3.24Å; G350-T360 WeakPolarHBondContact CA-OG1 3.23Å; G350-T360 PolarHBondContact O-N 2.95Å; G350-T360 PolarHBondContact O-OG1 3.48Å |
| 351 | W | 96.7 | Very high | 94.5 | Very high | 68 Ų | 68 | 62.8 Ų | 62.8 | 26% | 0.258 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 147.4 | -177.3 | -61.7 | 96.2 | 0 | 0 | 0 | 112.3 | R337 C347 D348 C356 C358 | R337-W351 HydrophobicContact CB-CB 4.41Å; R337-W351 HydrophobicContact CB-CD2 4.17Å; R337-W351 HydrophobicContact CB-CG 3.9Å; R337-W351 HydrophobicContact CG-CD2 4.13Å; R337-W351 HydrophobicContact CG-CG 4.31Å; C347-W351 HydrophobicContact CB-CB 4.07Å; C347-W351 VanDerWaalsContact CB-O 3.26Å; C347-W351 WeakPolarHBondContact CB-O 3.33Å; D348-W351 PolarHBondContact O-N 3.38Å; W351-C356 HydrophobicContact CB-CB 4.41Å; W351-C358 CarbonylContact C-O 2.82Å; W351-C358 WeakPolarHBondContact CA-O 2.97Å |
| 352 | T | 94.9 | Very high | 94.6 | Very high | 72 Ų | 72 | 63 Ų | 63 | 44% | 0.442 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | -179.6 | 178.6 | -166 | 0 | 0 | 0 | 0 | 111.1 | C356 D357 C358 T360 | T352-C356 CarbonylContact O-C 3.44Å; T352-C356 WeakPolarHBondContact O-CA 3.29Å; T352-D357 PolarHBondContact O-N 3.32Å; T352-C358 HydrophobicContact CG2-CB 3.72Å; T352-C358 PolarHBondContact N-O 2.84Å; T352-C358 WeakPolarHBondContact O-CB 3.06Å; T352-C358 PolarHBondContact O-N 3.37Å; T352-C358 VanDerWaalsContact O-N 3.11Å; T352-T360 HydrophobicContact CG2-CG2 4.06Å |
| 353 | G | 94 | Very high | 94.7 | Very high | 27 Ų | 27 | 64.3 Ų | 64.3 | 28% | 0.278 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 90.7 | 161.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | C347 A355 C356 | C347-G353 PolarHBondContact SG-O 3.21Å; G353-A355 PolarHBondContact O-N 3.11Å; G353-C356 PolarHBondContact O-N 3.45Å; G353-C356 VanDerWaalsContact O-N 3.13Å |
| 354 | P | 94.3 | Very high | 94.9 | Very high | 109 Ų | 109 | 69.8 Ų | 69.8 | 71% | 0.708 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -30.9 | -176.8 | -25 | 34.6 | 0 | 0 | 0 | 114.1 | P327 C345 | P327-P354 HydrophobicContact CG-CB 4.45Å; P327-P354 WeakPolarHBondContact CG-O 3.46Å; C345-P354 WeakPolarHBondContact CB-O 3.4Å |
| 355 | A | 95.7 | Very high | 95 | Very high | 9 Ų | 9 | 65.2 Ų | 65.2 | 7% | 0.074 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 9.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P327 N329 C334 S335 G353 D357 | P327-A355 HydrophobicContact CB-CB 4.14Å; P327-A355 HydrophobicContact CG-CB 4.44Å; N329-A355 HydrophobicContact CB-CB 4.33Å; C334-A355 CarbonylContact C-O 3.6Å; C334-A355 WeakPolarHBondContact CA-O 3.43Å; S335-A355 VanDerWaalsContact CB-O 3.32Å; S335-A355 WeakPolarHBondContact CB-O 3.43Å; S335-A355 PolarHBondContact N-O 2.87Å; S335-A355 PolarHBondContact OG-O 2.86Å; G353-A355 PolarHBondContact O-N 3.11Å; A355-D357 PolarHBondContact O-N 3.42Å |
| 356 | C | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 54.4 | 35.1 | -175.9 | -50.9 | 0 | 0 | 0 | 0 | 114.5 | C334 R337 C345 C347 W351 T352 G353 | C334-C356 HydrophobicContact CB-CB 4.48Å; C334-C356 WeakPolarHBondContact O-CB 3.47Å; R337-C356 HydrophobicContact CB-CB 4.22Å; R337-C356 WeakPolarHBondContact O-CB 3.02Å; C345-C356 WeakPolarHBondContact CB-SG 2.91Å; C347-C356 WeakPolarHBondContact CA-SG 3.4Å; C347-C356 HydrophobicContact CB-CB 3.67Å; C347-C356 WeakPolarHBondContact CB-SG 3.03Å; C347-C356 PolarHBondContact N-SG 3.02Å; C347-C356 WeakPolarHBondContact SG-CA 3.42Å; C347-C356 WeakPolarHBondContact SG-CB 3.46Å; C347-C356 CovalentContact SG-SG 2.04Å; C347-C356 PolarHBondContact SG-SG 3.23Å; W351-C356 HydrophobicContact CB-CB 4.41Å; T352-C356 CarbonylContact O-C 3.44Å; T352-C356 WeakPolarHBondContact O-CA 3.29Å; G353-C356 PolarHBondContact O-N 3.45Å; G353-C356 VanDerWaalsContact O-N 3.13Å |
| 357 | D | 95.1 | Very high | 94.7 | Very high | 63 Ų | 63 | 62 Ų | 62 | 34% | 0.337 | 36% | 0.359 | S | S | . | . | trans | -95.7 | -11.9 | -176 | 57.9 | -26.4 | 0 | 0 | 0 | 113.5 | N329 T352 A355 | N329-D357 HydrophobicContact CB-CB 3.93Å; N329-D357 PolarHBondContact ND2-OD2 3.44Å; T352-D357 PolarHBondContact O-N 3.32Å; A355-D357 PolarHBondContact O-N 3.42Å | ||
| 358 | C | 95.4 | Very high | 94.3 | Very high | 13 Ų | 13 | 70.4 Ų | 70.4 | 9% | 0.088 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 118.2 | -175.7 | -170.3 | 0 | 0 | 0 | 0 | 111.3 | W351 T352 C381 | W351-C358 CarbonylContact C-O 2.82Å; W351-C358 WeakPolarHBondContact CA-O 2.97Å; T352-C358 HydrophobicContact CG2-CB 3.72Å; T352-C358 PolarHBondContact N-O 2.84Å; T352-C358 WeakPolarHBondContact O-CB 3.06Å; T352-C358 PolarHBondContact O-N 3.37Å; T352-C358 VanDerWaalsContact O-N 3.11Å; C358-C381 HydrophobicContact CB-CB 3.89Å; C358-C381 WeakPolarHBondContact CB-SG 3.35Å; C358-C381 WeakPolarHBondContact SG-CA 3.03Å; C358-C381 WeakPolarHBondContact SG-CB 3.29Å; C358-C381 CovalentContact SG-SG 2.03Å; C358-C381 PolarHBondContact SG-SG 3Å |
| 359 | T | 94.6 | Very high | 93.9 | Very high | 28 Ų | 28 | 69.2 Ų | 69.2 | 17% | 0.172 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 142.1 | 174.6 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | G350 E361 | G350-T359 CarbonylContact O-C 3.58Å; G350-T359 WeakPolarHBondContact O-CA 3.27Å; T359-E361 WeakPolarHBondContact OG1-CB 3Å; T359-E361 PolarHBondContact OG1-N 2.03Å |
| 360 | T | 93.8 | Very high | 93.7 | Very high | 82 Ų | 82 | 64.3 Ų | 64.3 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | trans | -90.9 | -4.8 | 169.4 | 66.9 | 0 | 0 | 0 | 0 | 112.3 | G350 T352 | G350-T360 VanDerWaalsContact CA-OG1 3.24Å; G350-T360 WeakPolarHBondContact CA-OG1 3.23Å; G350-T360 PolarHBondContact O-N 2.95Å; G350-T360 PolarHBondContact O-OG1 3.48Å; T352-T360 HydrophobicContact CG2-CG2 4.06Å | ||
| 361 | E | 93.1 | Very high | 93.7 | Very high | 119 Ų | 119 | 68.2 Ų | 68.2 | 56% | 0.556 | 38% | 0.384 | S | S | * | . | trans | -70.1 | 138.3 | 173.3 | -62.9 | -168.9 | 168.1 | 0 | 0 | 110.6 | T359 | T359-E361 WeakPolarHBondContact OG1-CB 3Å; T359-E361 PolarHBondContact OG1-N 2.03Å | ||
| 362 | T | 93.9 | Very high | 93.6 | Very high | 64 Ų | 64 | 68.4 Ų | 68.4 | 39% | 0.393 | 39% | 0.389 | S | S | . | . | trans | -113.4 | 8.4 | -177.8 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | E364 C365 L366 I372 C379 | T362-E364 PolarHBondContact O-N 2.82Å; T362-C365 WeakPolarHBondContact O-CB 3.29Å; T362-C365 PolarHBondContact O-N 2.03Å; T362-L366 PolarHBondContact O-N 3.48Å; T362-I372 HydrophobicContact CG2-CD1 3.94Å; T362-C379 HydrophobicContact CG2-CB 4.34Å | ||
| 363 | T | 92.7 | Very high | 93.6 | Very high | 96 Ų | 96 | 65 Ų | 65 | 59% | 0.589 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -58.3 | -44.6 | -177.1 | 45.9 | 0 | 0 | 0 | 0 | 112 | C365 L366 | T363-C365 PolarHBondContact O-N 2.79Å; T363-L366 WeakPolarHBondContact O-CB 3.42Å; T363-L366 PolarHBondContact O-N 2.81Å |
| 364 | E | 91.9 | Very high | 93.6 | Very high | 145 Ų | 145 | 64.9 Ų | 64.9 | 68% | 0.678 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -68.4 | -21.5 | 176.6 | -65.1 | -171.6 | 172.7 | 0 | 0 | 113.4 | T362 G382 | T362-E364 PolarHBondContact O-N 2.82Å; E364-G382 WeakPolarHBondContact CB-O 3.34Å |
| 365 | C | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -87.2 | -5.6 | 177.6 | -66.5 | 0 | 0 | 0 | 0 | 113.2 | T362 T363 G367 I372 C373 C379 G382 | T362-C365 WeakPolarHBondContact O-CB 3.29Å; T362-C365 PolarHBondContact O-N 2.03Å; T363-C365 PolarHBondContact O-N 2.79Å; C365-G367 PolarHBondContact O-N 2.03Å; C365-I372 HydrophobicContact CB-CG2 4.02Å; C365-I372 WeakPolarHBondContact O-CA 3.01Å; C365-C373 PolarHBondContact O-N 3.48Å; C365-C379 HydrophobicContact CB-CB 3.59Å; C365-C379 WeakPolarHBondContact CB-SG 2.99Å; C365-C379 WeakPolarHBondContact SG-CB 3.48Å; C365-C379 CovalentContact SG-SG 2.04Å; C365-C379 PolarHBondContact SG-SG 3.33Å; C365-G382 PolarHBondContact SG-O 3.35Å; C365-G382 VanDerWaalsContact SG-O 3.38Å |
| 366 | L | 95.3 | Very high | 93.6 | Very high | 96 Ų | 96 | 64.3 Ų | 64.3 | 50% | 0.503 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -78.4 | 110.3 | -175.7 | -165.6 | 70 | 0 | 0 | 0 | 110.7 | T362 T363 G370 | T362-L366 PolarHBondContact O-N 3.48Å; T363-L366 WeakPolarHBondContact O-CB 3.42Å; T363-L366 PolarHBondContact O-N 2.81Å; L366-G370 VanDerWaalsContact CD1-O 3.28Å; L366-G370 WeakPolarHBondContact CD1-O 3.39Å |
| 367 | G | 90.5 | Very high | 93.5 | Very high | 7 Ų | 7 | 65.3 Ų | 65.3 | 7% | 0.072 | 37% | 0.37 | C | S | . | . | trans | -75 | 170.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | C365 S369 G370 M371 | C365-G367 PolarHBondContact O-N 2.03Å; G367-S369 PolarHBondContact O-N 2.81Å; G367-S369 VanDerWaalsContact O-N 3.1Å; G367-G370 PolarHBondContact O-N 2.04Å; G367-M371 PolarHBondContact N-O 2.79Å | ||
| 368 | K | 88.6 | Confident | 93.5 | Very high | 220 Ų | 220 | 66 Ų | 66 | 96% | 0.957 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.9 | 176.2 | -69.5 | -176.9 | -179.9 | 177.1 | 0 | 113.6 | G370 | K368-G370 PolarHBondContact O-N 3.46Š|
| 369 | S | 87.5 | Confident | 93.6 | Very high | 62 Ų | 62 | 66.8 Ų | 66.8 | 43% | 0.434 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.1 | 173.9 | 60.9 | 0 | 0 | 0 | 0 | 114 | G367 M371 N374 | G367-S369 PolarHBondContact O-N 2.81Å; G367-S369 VanDerWaalsContact O-N 3.1Å; S369-M371 PolarHBondContact O-N 3Å; S369-M371 PolarHBondContact OG-N 2.83Å; S369-N374 VanDerWaalsContact CB-OD1 3.31Å; S369-N374 WeakPolarHBondContact CB-OD1 2.97Å; S369-N374 PolarHBondContact N-OD1 3.08Å; S369-N374 PolarHBondContact OG-OD1 2.69Å |
| 370 | G | 91.8 | Very high | 93.5 | Very high | 51 Ų | 51 | 70.4 Ų | 70.4 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 77.1 | 5.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L366 G367 K368 | L366-G370 VanDerWaalsContact CD1-O 3.28Å; L366-G370 WeakPolarHBondContact CD1-O 3.39Å; G367-G370 PolarHBondContact O-N 2.04Å; K368-G370 PolarHBondContact O-N 3.46Å |
| 371 | M | 94.5 | Very high | 93.6 | Very high | 102 Ų | 102 | 69.1 Ų | 69.1 | 50% | 0.502 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -101.8 | 144.6 | 174.4 | -62.9 | -172.6 | -73.3 | 0 | 0 | 110.9 | G367 S369 C373 N374 | G367-M371 PolarHBondContact N-O 2.79Å; S369-M371 PolarHBondContact O-N 3Å; S369-M371 PolarHBondContact OG-N 2.83Å; M371-C373 PolarHBondContact O-N 2.69Å; M371-N374 PolarHBondContact O-N 2.94Å; M371-N374 VanDerWaalsContact O-N 3.15Å |
| 372 | I | 94.9 | Very high | 93.6 | Very high | 71 Ų | 71 | 63.7 Ų | 63.7 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -59.1 | 125.4 | 170.2 | -68.1 | -179.3 | 0 | 0 | 0 | 108.3 | T362 C365 N374 G375 C379 | T362-I372 HydrophobicContact CG2-CD1 3.94Å; C365-I372 HydrophobicContact CB-CG2 4.02Å; C365-I372 WeakPolarHBondContact O-CA 3.01Å; I372-N374 PolarHBondContact O-N 2.97Å; I372-N374 VanDerWaalsContact O-N 3.12Å; I372-G375 PolarHBondContact O-N 2.86Å; I372-C379 HydrophobicContact CG2-CB 3.62Å |
| 373 | C | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | 52.1 | 34 | -178.2 | -51.6 | 0 | 0 | 0 | 0 | 113.1 | C365 M371 G375 Q376 C384 T394 C395 | C365-C373 PolarHBondContact O-N 3.48Å; M371-C373 PolarHBondContact O-N 2.69Å; C373-G375 PolarHBondContact O-N 3.07Å; C373-Q376 WeakPolarHBondContact O-CA 3.39Å; C373-Q376 PolarHBondContact O-N 2.79Å; C373-C384 WeakPolarHBondContact CA-SG 3.18Å; C373-C384 HydrophobicContact CB-CB 3.77Å; C373-C384 WeakPolarHBondContact CB-SG 3.38Å; C373-C384 WeakPolarHBondContact SG-CA 3.34Å; C373-C384 WeakPolarHBondContact SG-CB 2.99Å; C373-C384 CovalentContact SG-SG 2.03Å; C373-C384 PolarHBondContact SG-SG 3.22Å; C373-T394 CarbonylContact C-O 3.29Å; C373-T394 WeakPolarHBondContact CA-O 3.42Å; C373-C395 HydrophobicContact CB-CB 4.43Å; C373-C395 WeakPolarHBondContact O-CB 3.2Å |
| 374 | N | 93.8 | Very high | 93.9 | Very high | 26 Ų | 26 | 64.7 Ų | 64.7 | 14% | 0.139 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | 47.7 | 25.6 | -173.2 | -66.8 | -71.1 | 0 | 0 | 0 | 114.4 | S369 M371 I372 Q376 T394 E396 | S369-N374 VanDerWaalsContact CB-OD1 3.31Å; S369-N374 WeakPolarHBondContact CB-OD1 2.97Å; S369-N374 PolarHBondContact N-OD1 3.08Å; S369-N374 PolarHBondContact OG-OD1 2.69Å; M371-N374 PolarHBondContact O-N 2.94Å; M371-N374 VanDerWaalsContact O-N 3.15Å; I372-N374 PolarHBondContact O-N 2.97Å; I372-N374 VanDerWaalsContact O-N 3.12Å; N374-Q376 PolarHBondContact O-N 2.95Å; N374-T394 PolarHBondContact N-O 2.98Å; N374-T394 PolarHBondContact ND2-O 3.42Å; N374-T394 PolarHBondContact ND2-OG1 2.04Å; N374-E396 WeakPolarHBondContact ND2-CB 3.49Å |
| 375 | G | 93.7 | Very high | 94.1 | Very high | 47 Ų | 47 | 60.4 Ų | 60.4 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | 73.7 | 7.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | I372 C373 | I372-G375 PolarHBondContact O-N 2.86Å; C373-G375 PolarHBondContact O-N 3.07Å |
| 376 | Q | 95.1 | Very high | 94.1 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 28% | 0.276 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -116.4 | 26.3 | -174.2 | -59.2 | -63.7 | -2.9 | 0 | 0 | 112.8 | C373 N374 C386 N387 Y390 C395 | C373-Q376 WeakPolarHBondContact O-CA 3.39Å; C373-Q376 PolarHBondContact O-N 2.79Å; N374-Q376 PolarHBondContact O-N 2.95Å; Q376-C386 CarbonylContact O-C 2.88Å; Q376-C386 WeakPolarHBondContact O-CA 3.24Å; Q376-N387 PolarHBondContact O-N 3.15Å; Q376-Y390 HydrophobicContact CB-CD1 3.85Å; Q376-Y390 HydrophobicContact CB-CD2 4.04Å; Q376-Y390 HydrophobicContact CB-CE1 4.27Å; Q376-Y390 HydrophobicContact CB-CE2 4.44Å; Q376-Y390 HydrophobicContact CB-CG 3.72Å; Q376-Y390 HydrophobicContact CG-CD1 3.67Å; Q376-Y390 HydrophobicContact CG-CD2 4.23Å; Q376-Y390 HydrophobicContact CG-CE1 3.59Å; Q376-Y390 HydrophobicContact CG-CE2 4.17Å; Q376-Y390 HydrophobicContact CG-CG 3.99Å; Q376-Y390 PolarHBondContact NE2-OH 2.79Å; Q376-Y390 VanDerWaalsContact OE1-CE2 3.3Å; Q376-C395 HydrophobicContact CB-CB 3.9Å |
| 377 | G | 94.9 | Very high | 94.1 | Very high | 20 Ų | 20 | 61.8 Ų | 61.8 | 21% | 0.206 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.2 | -178.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A385 | G377-A385 CarbonylContact C-O 3.57Å; G377-A385 WeakPolarHBondContact CA-O 3.26Å |
| 378 | S | 96.3 | Very high | 94.3 | Very high | 78 Ų | 78 | 69.5 Ų | 69.5 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.1 | 172.8 | -174 | 0 | 0 | 0 | 0 | 110.2 | A385 | S378-A385 PolarHBondContact N-O 3.24Å; S378-A385 PolarHBondContact O-N 2.79Å |
| 379 | C | 95.6 | Very high | 94.5 | Very high | 30 Ų | 30 | 60.1 Ų | 60.1 | 20% | 0.203 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 119.6 | 173.2 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | T362 C365 I372 | T362-C379 HydrophobicContact CG2-CB 4.34Å; C365-C379 HydrophobicContact CB-CB 3.59Å; C365-C379 WeakPolarHBondContact CB-SG 2.99Å; C365-C379 WeakPolarHBondContact SG-CB 3.48Å; C365-C379 CovalentContact SG-SG 2.04Å; C365-C379 PolarHBondContact SG-SG 3.33Å; I372-C379 HydrophobicContact CG2-CB 3.62Å |
| 380 | D | 94.4 | Very high | 94.9 | Very high | 104 Ų | 104 | 60.8 Ų | 60.8 | 56% | 0.556 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 117.6 | 178.3 | -171.1 | 21.5 | 0 | 0 | 0 | 109.4 | G382 K383 | D380-G382 VanDerWaalsContact C-N 3.27Å; D380-G382 PolarHBondContact O-N 2.73Å; D380-K383 PolarHBondContact N-O 3.03Å; D380-K383 PolarHBondContact O-N 3.04Å; D380-K383 VanDerWaalsContact O-O 3.12Å |
| 381 | C | 94.3 | Very high | 94.9 | Very high | 55 Ų | 55 | 59 Ų | 59 | 37% | 0.372 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 42.7 | -175.9 | -49.9 | 0 | 0 | 0 | 0 | 114.6 | C358 K383 | C358-C381 HydrophobicContact CB-CB 3.89Å; C358-C381 WeakPolarHBondContact CB-SG 3.35Å; C358-C381 WeakPolarHBondContact SG-CA 3.03Å; C358-C381 WeakPolarHBondContact SG-CB 3.29Å; C358-C381 CovalentContact SG-SG 2.03Å; C358-C381 PolarHBondContact SG-SG 3Å; C381-K383 VanDerWaalsContact C-N 3.31Å; C381-K383 PolarHBondContact O-N 3.42Å |
| 382 | G | 94 | Very high | 94.8 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | E364 C365 D380 | E364-G382 WeakPolarHBondContact CB-O 3.34Å; C365-G382 PolarHBondContact SG-O 3.35Å; C365-G382 VanDerWaalsContact SG-O 3.38Å; D380-G382 VanDerWaalsContact C-N 3.27Å; D380-G382 PolarHBondContact O-N 2.73Å |
| 383 | K | 95.9 | Very high | 94.8 | Very high | 157 Ų | 157 | 57.1 Ų | 57.1 | 68% | 0.683 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 141.5 | -179.8 | -64.1 | 177.9 | -177 | 173.4 | 0 | 111.4 | D380 C381 A385 | D380-K383 PolarHBondContact N-O 3.03Å; D380-K383 PolarHBondContact O-N 3.04Å; D380-K383 VanDerWaalsContact O-O 3.12Å; C381-K383 VanDerWaalsContact C-N 3.31Å; C381-K383 PolarHBondContact O-N 3.42Å; K383-A385 PolarHBondContact O-N 3.2Å |
| 384 | C | 96.5 | Very high | 94.8 | Very high | 25 Ų | 25 | 58 Ų | 58 | 17% | 0.169 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 122.7 | 177.2 | -74.5 | 0 | 0 | 0 | 0 | 112.5 | C373 P393 | C373-C384 WeakPolarHBondContact CA-SG 3.18Å; C373-C384 HydrophobicContact CB-CB 3.77Å; C373-C384 WeakPolarHBondContact CB-SG 3.38Å; C373-C384 WeakPolarHBondContact SG-CA 3.34Å; C373-C384 WeakPolarHBondContact SG-CB 2.99Å; C373-C384 CovalentContact SG-SG 2.03Å; C373-C384 PolarHBondContact SG-SG 3.22Å; C384-P393 WeakPolarHBondContact CB-O 3.45Å |
| 385 | A | 96.6 | Very high | 94.9 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 45% | 0.446 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 97.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | G377 S378 K383 | G377-A385 CarbonylContact C-O 3.57Å; G377-A385 WeakPolarHBondContact CA-O 3.26Å; S378-A385 PolarHBondContact N-O 3.24Å; S378-A385 PolarHBondContact O-N 2.79Å; K383-A385 PolarHBondContact O-N 3.2Å |
| 386 | C | 96.1 | Very high | 94.8 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 28% | 0.277 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 146.5 | -176.1 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | Q376 Y390 C395 | Q376-C386 CarbonylContact O-C 2.88Å; Q376-C386 WeakPolarHBondContact O-CA 3.24Å; C386-Y390 WeakPolarHBondContact CB-O 3.44Å; C386-C395 WeakPolarHBondContact CA-SG 3.01Å; C386-C395 HydrophobicContact CB-CB 3.79Å; C386-C395 WeakPolarHBondContact CB-SG 3.32Å; C386-C395 WeakPolarHBondContact SG-CA 3.24Å; C386-C395 WeakPolarHBondContact SG-CB 3.5Å; C386-C395 CovalentContact SG-SG 2.03Å; C386-C395 PolarHBondContact SG-SG 3.01Å |
| 387 | N | 95.5 | Very high | 94.7 | Very high | 85 Ų | 85 | 60.5 Ų | 60.5 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 154.6 | 169.3 | -63.6 | -27.5 | 0 | 0 | 0 | 110.2 | Q376 G389 Y390 | Q376-N387 PolarHBondContact O-N 3.15Å; N387-G389 PolarHBondContact O-N 3.12Å; N387-Y390 PolarHBondContact O-N 2.95Å; N387-Y390 VanDerWaalsContact O-N 3.07Å |
| 388 | D | 94.5 | Very high | 94.5 | Very high | 168 Ų | 168 | 61.6 Ų | 61.6 | 90% | 0.898 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 130.2 | 178.3 | -70.1 | -25.7 | 0 | 0 | 0 | 111.9 | ||
| 389 | G | 93.3 | Very high | 94.2 | Very high | 24 Ų | 24 | 63.4 Ų | 63.4 | 25% | 0.247 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -3.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N387 L399 | N387-G389 PolarHBondContact O-N 3.12Å; G389-L399 WeakPolarHBondContact O-CB 3.31Å; G389-L399 PolarHBondContact O-N 3Å |
| 390 | Y | 94.7 | Very high | 93.6 | Very high | 75 Ų | 75 | 68.6 Ų | 68.6 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 150 | 175 | -65.6 | -91.8 | 0 | 0 | 0 | 112.1 | Q376 C386 N387 L397 C398 | Q376-Y390 HydrophobicContact CB-CD1 3.85Å; Q376-Y390 HydrophobicContact CB-CD2 4.04Å; Q376-Y390 HydrophobicContact CB-CE1 4.27Å; Q376-Y390 HydrophobicContact CB-CE2 4.44Å; Q376-Y390 HydrophobicContact CB-CG 3.72Å; Q376-Y390 HydrophobicContact CG-CD1 3.67Å; Q376-Y390 HydrophobicContact CG-CD2 4.23Å; Q376-Y390 HydrophobicContact CG-CE1 3.59Å; Q376-Y390 HydrophobicContact CG-CE2 4.17Å; Q376-Y390 HydrophobicContact CG-CG 3.99Å; Q376-Y390 PolarHBondContact NE2-OH 2.79Å; Q376-Y390 VanDerWaalsContact OE1-CE2 3.3Å; C386-Y390 WeakPolarHBondContact CB-O 3.44Å; N387-Y390 PolarHBondContact O-N 2.95Å; N387-Y390 VanDerWaalsContact O-N 3.07Å; Y390-L397 CarbonylContact C-O 3.51Å; Y390-L397 VanDerWaalsContact CA-O 3.27Å; Y390-L397 WeakPolarHBondContact CA-O 3.45Å; Y390-C398 HydrophobicContact CD1-CB 4.32Å; Y390-C398 HydrophobicContact CE1-CB 4.02Å |
| 391 | G | 92.8 | Very high | 92.8 | Very high | 14 Ų | 14 | 67.2 Ų | 67.2 | 14% | 0.144 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 179.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | C395 E396 L397 | G391-C395 CarbonylContact O-C 3.55Å; G391-C395 VanDerWaalsContact O-C 3.25Å; G391-C395 VanDerWaalsContact O-CA 3.23Å; G391-C395 WeakPolarHBondContact O-CA 3.06Å; G391-E396 PolarHBondContact O-N 2.03Å; G391-L397 PolarHBondContact N-O 3.3Å; G391-L397 WeakPolarHBondContact O-CB 3.05Å; G391-L397 PolarHBondContact O-N 3.1Å |
| 392 | G | 92.4 | Very high | 91.3 | Very high | 31 Ų | 31 | 73.2 Ų | 73.2 | 32% | 0.32 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 96.8 | 163.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T394 C395 | G392-T394 PolarHBondContact O-N 2.78Å; G392-T394 VanDerWaalsContact O-N 3.17Å; G392-C395 PolarHBondContact O-N 3.27Å |
| 393 | P | 93.6 | Very high | 89.3 | Confident | 102 Ų | 102 | 79 Ų | 79 | 66% | 0.662 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.1 | -177.9 | 23.7 | -36.2 | 0 | 0 | 0 | 113.7 | C384 E396 | C384-P393 WeakPolarHBondContact CB-O 3.45Å; P393-E396 VanDerWaalsContact CD-OE1 3.29Å; P393-E396 WeakPolarHBondContact CD-OE1 3.32Å |
| 394 | T | 96.1 | Very high | 87 | Confident | 18 Ų | 18 | 79.7 Ų | 79.7 | 11% | 0.11 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 20.3 | 177.5 | 63.6 | 0 | 0 | 0 | 0 | 112.5 | C373 N374 G392 E396 | C373-T394 CarbonylContact C-O 3.29Å; C373-T394 WeakPolarHBondContact CA-O 3.42Å; N374-T394 PolarHBondContact N-O 2.98Å; N374-T394 PolarHBondContact ND2-O 3.42Å; N374-T394 PolarHBondContact ND2-OG1 2.04Å; G392-T394 PolarHBondContact O-N 2.78Å; G392-T394 VanDerWaalsContact O-N 3.17Å; T394-E396 VanDerWaalsContact C-N 3.27Å; T394-E396 VanDerWaalsContact C-OE2 3.24Å; T394-E396 VanDerWaalsContact CA-OE2 3.32Å; T394-E396 WeakPolarHBondContact CA-OE2 3.02Å; T394-E396 PolarHBondContact N-OE2 3.28Å; T394-E396 PolarHBondContact O-N 3.24Å; T394-E396 PolarHBondContact OG1-OE2 3.4Å |
| 395 | C | 95.7 | Very high | 84.4 | Confident | 1 Ų | 1 | 84 Ų | 84 | 1% | 0.007 | 48% | 0.479 | C | S | . | . | S | Bend | trans | 59.9 | 29.4 | -177.8 | -44.1 | 0 | 0 | 0 | 0 | 115.1 | C373 Q376 C386 G391 G392 | C373-C395 HydrophobicContact CB-CB 4.43Å; C373-C395 WeakPolarHBondContact O-CB 3.2Å; Q376-C395 HydrophobicContact CB-CB 3.9Å; C386-C395 WeakPolarHBondContact CA-SG 3.01Å; C386-C395 HydrophobicContact CB-CB 3.79Å; C386-C395 WeakPolarHBondContact CB-SG 3.32Å; C386-C395 WeakPolarHBondContact SG-CA 3.24Å; C386-C395 WeakPolarHBondContact SG-CB 3.5Å; C386-C395 CovalentContact SG-SG 2.03Å; C386-C395 PolarHBondContact SG-SG 3.01Å; G391-C395 CarbonylContact O-C 3.55Å; G391-C395 VanDerWaalsContact O-C 3.25Å; G391-C395 VanDerWaalsContact O-CA 3.23Å; G391-C395 WeakPolarHBondContact O-CA 3.06Å; G392-C395 PolarHBondContact O-N 3.27Å |
| 396 | E | 93.2 | Very high | 81.8 | Confident | 89 Ų | 89 | 90 Ų | 90 | 42% | 0.416 | 50% | 0.498 | S | S | . | . | trans | -77 | -19.8 | -179 | 67.5 | -81.9 | -168.7 | 0 | 0 | 114.4 | N374 G391 P393 T394 | N374-E396 WeakPolarHBondContact ND2-CB 3.49Å; G391-E396 PolarHBondContact O-N 2.03Å; P393-E396 VanDerWaalsContact CD-OE1 3.29Å; P393-E396 WeakPolarHBondContact CD-OE1 3.32Å; T394-E396 VanDerWaalsContact C-N 3.27Å; T394-E396 VanDerWaalsContact C-OE2 3.24Å; T394-E396 VanDerWaalsContact CA-OE2 3.32Å; T394-E396 WeakPolarHBondContact CA-OE2 3.02Å; T394-E396 PolarHBondContact N-OE2 3.28Å; T394-E396 PolarHBondContact O-N 3.24Å; T394-E396 PolarHBondContact OG1-OE2 3.4Å | ||
| 397 | L | 92.1 | Very high | 79.3 | Confident | 95 Ų | 95 | 97 Ų | 97 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 111.7 | -176.6 | -57.5 | 174.9 | 0 | 0 | 0 | 109.7 | Y390 G391 L399 | Y390-L397 CarbonylContact C-O 3.51Å; Y390-L397 VanDerWaalsContact CA-O 3.27Å; Y390-L397 WeakPolarHBondContact CA-O 3.45Å; G391-L397 PolarHBondContact N-O 3.3Å; G391-L397 WeakPolarHBondContact O-CB 3.05Å; G391-L397 PolarHBondContact O-N 3.1Å; L397-L399 HydrophobicContact CB-CD2 4.38Å; L397-L399 PolarHBondContact O-N 3.28Å |
| 398 | C | 90.7 | Very high | 76.7 | Confident | 43 Ų | 43 | 99.7 Ų | 99.7 | 29% | 0.291 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 109 | 166.3 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | Y390 N400 C401 | Y390-C398 HydrophobicContact CD1-CB 4.32Å; Y390-C398 HydrophobicContact CE1-CB 4.02Å; C398-N400 VanDerWaalsContact C-N 3.28Å; C398-N400 PolarHBondContact O-N 3.26Å; C398-C401 HydrophobicContact CB-CB 3.62Å; C398-C401 WeakPolarHBondContact CB-SG 3.41Å; C398-C401 WeakPolarHBondContact SG-CB 3.28Å; C398-C401 PolarHBondContact SG-N 3.35Å; C398-C401 CovalentContact SG-SG 2.03Å; C398-C401 PolarHBondContact SG-SG 2.89Å |
| 399 | L | 89.6 | Confident | 74.2 | Confident | 116 Ų | 116 | 100.9 Ų | 100.9 | 61% | 0.607 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -19.9 | -174.5 | -58.3 | 177.2 | 0 | 0 | 0 | 112.9 | G389 L397 | G389-L399 WeakPolarHBondContact O-CB 3.31Å; G389-L399 PolarHBondContact O-N 3Å; L397-L399 HydrophobicContact CB-CD2 4.38Å; L397-L399 PolarHBondContact O-N 3.28Å |
| 400 | N | 82.9 | Confident | 71.7 | Confident | 140 Ų | 140 | 102.9 Ų | 102.9 | 75% | 0.749 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 16 | -178.2 | -64.4 | -17 | 0 | 0 | 0 | 113.1 | C398 | C398-N400 VanDerWaalsContact C-N 3.28Å; C398-N400 PolarHBondContact O-N 3.26Å |
| 401 | C | 78 | Confident | 69.3 | Low | 75 Ų | 75 | 107.6 Ų | 107.6 | 51% | 0.507 | 59% | 0.594 | S | S | . | * | trans | -91.9 | 109.1 | 176.1 | -70.4 | 0 | 0 | 0 | 0 | 109.5 | C398 T403 | C398-C401 HydrophobicContact CB-CB 3.62Å; C398-C401 WeakPolarHBondContact CB-SG 3.41Å; C398-C401 WeakPolarHBondContact SG-CB 3.28Å; C398-C401 PolarHBondContact SG-N 3.35Å; C398-C401 CovalentContact SG-SG 2.03Å; C398-C401 PolarHBondContact SG-SG 2.89Å; C401-T403 PolarHBondContact O-N 2.64Å | ||
| 402 | E | 63.8 | Low | 67 | Low | 181 Ų | 181 | 112.7 Ų | 112.7 | 85% | 0.846 | 62% | 0.618 | S | S | * | * | trans | -65.1 | 115.6 | 167.9 | -65.6 | -178.7 | 168 | 0 | 0 | 108.3 | E404 | E402-E404 PolarHBondContact O-N 3.32Š| ||
| 403 | T | 51.5 | Low | 64.8 | Low | 124 Ų | 124 | 121.7 Ų | 121.7 | 76% | 0.761 | 64% | 0.644 | S | S | * | * | trans | -80.8 | 96.2 | 176.9 | 40.5 | 0 | 0 | 0 | 0 | 108.7 | C401 T405 | C401-T403 PolarHBondContact O-N 2.64Å; T403-T405 VanDerWaalsContact C-N 3.34Å; T403-T405 PolarHBondContact O-N 3.31Å | ||
| 404 | E | 47.7 | Very low | 62.5 | Low | 173 Ų | 173 | 123.9 Ų | 123.9 | 81% | 0.808 | 65% | 0.645 | S | S | * | * | trans | -69.9 | 94.8 | 166.3 | -69.1 | -168.8 | 165.3 | 0 | 0 | 108.8 | E402 E406 | E402-E404 PolarHBondContact O-N 3.32Å; E404-E406 PolarHBondContact O-N 3.46Å | ||
| 405 | T | 41.8 | Very low | 59.8 | Low | 116 Ų | 116 | 128 Ų | 128 | 71% | 0.712 | 67% | 0.67 | S | S | * | * | trans | -85.8 | 88.1 | 163.5 | 34.7 | 0 | 0 | 0 | 0 | 107.7 | T403 | T403-T405 VanDerWaalsContact C-N 3.34Å; T403-T405 PolarHBondContact O-N 3.31Å | ||
| 406 | E | 43 | Very low | 57.1 | Low | 180 Ų | 180 | 135.5 Ų | 135.5 | 84% | 0.841 | 71% | 0.709 | S | S | * | * | trans | -91.6 | 112.1 | 162.4 | -77.4 | -163.7 | 155.9 | 0 | 0 | 109.8 | E404 | E404-E406 PolarHBondContact O-N 3.46Š| ||
| 407 | F | 41.8 | Very low | 54.4 | Low | 187 Ų | 187 | 139.2 Ų | 139.2 | 82% | 0.82 | 73% | 0.731 | S | S | * | * | trans | -56.2 | 129.4 | 167.8 | -77.8 | -113.1 | 0 | 0 | 0 | 110.6 | ||||
| 408 | T | 41.9 | Very low | 51.9 | Low | 141 Ų | 141 | 139.2 Ų | 139.2 | 87% | 0.865 | 74% | 0.737 | S | S | * | * | trans | -123.8 | 125 | 147.4 | 44.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 409 | E | 41.3 | Very low | 49.8 | Very low | 194 Ų | 194 | 145.7 Ų | 145.7 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | trans | -67.1 | 145 | -176.5 | -65.4 | 171.5 | 137.6 | 0 | 0 | 111.8 | ||||
| 410 | G | 41.5 | Very low | 47.4 | Very low | 66 Ų | 66 | 148.9 Ų | 148.9 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | trans | 94 | 92.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 411 | D | 43.5 | Very low | 45.7 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | -162 | 126.3 | 122.2 | -86.2 | -27.2 | 0 | 0 | 0 | 109.5 | |||||
| 412 | D | 45.6 | Very low | 44.1 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 65% | 0.647 | 78% | 0.783 | S | S | * | * | trans | -59.3 | 143.8 | 179.8 | -170.8 | 7.2 | 0 | 0 | 0 | 111.9 | ||||
| 413 | Y | 45.1 | Very low | 43.1 | Very low | 220 Ų | 220 | 149.9 Ų | 149.9 | 86% | 0.863 | 78% | 0.779 | S | S | * | * | trans | 171.7 | 86.9 | 140.9 | -85.3 | -63.7 | 0 | 0 | 0 | 109.9 | ||||
| 414 | H | 46.8 | Very low | 42.8 | Very low | 148 Ų | 148 | 150.8 Ų | 150.8 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | 40.7 | 114.6 | 127.7 | -102.6 | -76.6 | 0 | 0 | 0 | 120.7 | |||||
| 415 | T | 38.2 | Very low | 42.5 | Very low | 104 Ų | 104 | 151.2 Ų | 151.2 | 64% | 0.638 | 78% | 0.78 | S | S | * | * | 53.6 | 125.5 | 127.1 | 45.9 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 416 | L | 40 | Very low | 42.2 | Very low | 159 Ų | 159 | 154.1 Ų | 154.1 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | -173.9 | 131.4 | 64.1 | -72 | 167.7 | 0 | 0 | 0 | 109 | |||||
| 417 | L | 35.4 | Very low | 42.2 | Very low | 167 Ų | 167 | 154.7 Ų | 154.7 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -84 | 150.3 | 141.9 | -73.4 | 168.1 | 0 | 0 | 0 | 105.8 | ||||
| 418 | P | 40.6 | Very low | 42 | Very low | 95 Ų | 95 | 154 Ų | 154 | 62% | 0.617 | 79% | 0.785 | S | S | * | * | -158.5 | 168.3 | 86.8 | 39.7 | -18.1 | 0 | 0 | 0 | 117.7 | |||||
| 419 | E | 45.7 | Very low | 42 | Very low | 180 Ų | 180 | 156.6 Ų | 156.6 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | 78.6 | 116.5 | 139 | -77.2 | 158.2 | -149.2 | 0 | 0 | 121.8 | ||||
| 420 | K | 40.4 | Very low | 42.2 | Very low | 182 Ų | 182 | 153.6 Ų | 153.6 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -78.2 | 148 | 154.8 | -136.7 | -175 | -174.4 | -171.7 | 0 | 108.8 | ||||
| 421 | P | 46.4 | Very low | 42 | Very low | 120 Ų | 120 | 156 Ų | 156 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -135 | 155.2 | 133.4 | 14.7 | 7 | 0 | 0 | 0 | 114.1 | ||||
| 422 | D | 43.8 | Very low | 42 | Very low | 132 Ų | 132 | 157.1 Ų | 157.1 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -77.2 | -179.9 | 177.7 | -62.3 | -59.9 | 0 | 0 | 0 | 113.5 | ||||
| 423 | E | 43.6 | Very low | 41.8 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | 99.3 | 98.5 | 160.2 | -55.1 | -168.6 | 152.5 | 0 | 0 | 117 | ||||
| 424 | I | 43.8 | Very low | 41.6 | Very low | 143 Ų | 143 | 154.9 Ų | 154.9 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | 76.8 | 115.4 | 92.8 | -61.4 | 155.7 | 0 | 0 | 0 | 111.6 | |||||
| 425 | E | 41.6 | Very low | 41.5 | Very low | 182 Ų | 182 | 153.7 Ų | 153.7 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | -177 | 131.6 | 114.9 | -92.8 | -168.1 | 170.2 | 0 | 0 | 111.3 | |||||
| 426 | E | 36.5 | Very low | 41.6 | Very low | 176 Ų | 176 | 157.7 Ų | 157.7 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -74.1 | 138.4 | 174.1 | 176.5 | 177.5 | -146.9 | 0 | 0 | 109.8 | ||||
| 427 | F | 43 | Very low | 41.8 | Very low | 193 Ų | 193 | 157.1 Ų | 157.1 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -161.7 | 130.8 | 148 | -104.3 | -73.6 | 0 | 0 | 0 | 111.6 | ||||
| 428 | E | 38.1 | Very low | 42.1 | Very low | 173 Ų | 173 | 157.2 Ų | 157.2 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -62 | 145.5 | 177.6 | -57.3 | 171.2 | 120.2 | 0 | 0 | 112.8 | ||||
| 429 | E | 42.1 | Very low | 42.1 | Very low | 194 Ų | 194 | 159 Ų | 159 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | -161.1 | 146.9 | 133.6 | -120.4 | 169.7 | 179.1 | 0 | 0 | 113.7 | ||||
| 430 | T | 44.9 | Very low | 41.7 | Very low | 131 Ų | 131 | 154 Ų | 154 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -75.8 | 177.8 | -162.9 | 29.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 431 | P | 37.3 | Very low | 41.8 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | trans | -99.7 | 147.5 | -155.6 | 38.1 | -31.9 | 0 | 0 | 0 | 115.3 | ||||
| 432 | E | 43.7 | Very low | 41.5 | Very low | 195 Ų | 195 | 152.1 Ų | 152.1 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -148.5 | 149.7 | 167.6 | -71.4 | -167.9 | 135.4 | 0 | 0 | 107.3 | ||||
| 433 | A | 40.9 | Very low | 41.4 | Very low | 92 Ų | 92 | 150.1 Ų | 150.1 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | cis | -166.3 | 151.3 | -8.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 434 | K | 40.4 | Very low | 41.5 | Very low | 203 Ų | 203 | 149.6 Ų | 149.6 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 151.2 | 172.1 | -72.1 | 177.3 | 176 | 178.7 | 0 | 111.7 | ||
| 435 | P | 45.6 | Very low | 41.2 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 126.2 | 153.7 | 31.9 | -23.4 | 0 | 0 | 0 | 111.2 | ||
| 436 | K | 40.4 | Very low | 41.2 | Very low | 189 Ų | 189 | 145 Ų | 145 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 139.4 | 159.9 | -81.9 | 177.9 | 173.1 | 178.9 | 0 | 109.1 | ||
| 437 | V | 43.3 | Very low | 41.5 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | trans | -106.4 | 112.4 | 159.9 | 176.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 438 | E | 41.5 | Very low | 41.7 | Very low | 170 Ų | 170 | 139.1 Ų | 139.1 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -94.4 | 159.3 | 169.4 | -91.9 | -177.5 | 145 | 0 | 0 | 111.1 | ||||
| 439 | S | 41.3 | Very low | 42 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | 94 | 120.8 | 146 | -167.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 440 | G | 37.2 | Very low | 42.1 | Very low | 75 Ų | 75 | 137.5 Ų | 137.5 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 171.8 | 54.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 441 | A | 42 | Very low | 41.7 | Very low | 87 Ų | 87 | 139 Ų | 139 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | trans | -63.3 | 148.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 442 | N | 40.7 | Very low | 42 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 95% | 0.947 | 81% | 0.809 | S | S | * | * | trans | -158.2 | 127.2 | 136.1 | -89.4 | -33.2 | 0 | 0 | 0 | 110.2 | ||||
| 443 | A | 42.1 | Very low | 41.6 | Very low | 90 Ų | 90 | 137.2 Ų | 137.2 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -100.4 | -172.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 444 | V | 44.5 | Very low | 41.7 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | trans | 105.6 | 120.1 | 167.9 | -168.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 445 | G | 38.7 | Very low | 41.6 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | cis | 179 | 134.4 | 0.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 446 | L | 40.4 | Very low | 41.3 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | 17.1 | 134.1 | 124.1 | -76 | 169.2 | 0 | 0 | 0 | 117.3 | |||||
| 447 | L | 44 | Very low | 41.3 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | cis | -172.8 | 171.9 | 42 | -97 | 148 | 0 | 0 | 0 | 111.6 | ||||
| 448 | P | 47.6 | Very low | 41.3 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | -104.2 | 161.5 | -170 | 40.2 | -32.7 | 0 | 0 | 0 | 115.2 | ||||
| 449 | F | 42.9 | Very low | 41.1 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -150 | 112.9 | 167.8 | -78.8 | -83.3 | 0 | 0 | 0 | 109.1 | ||||
| 450 | I | 44.5 | Very low | 41.7 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | 76.4 | 115.4 | 84.5 | -65.3 | 174.7 | 0 | 0 | 0 | 114.6 | |||||
| 451 | E | 37.5 | Very low | 42.6 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 19.3 | 141.7 | 150.4 | -57 | -159.9 | 154 | 0 | 0 | 122.7 | ||||
| 452 | I | 42.8 | Very low | 43.2 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | -159.3 | 126.1 | 119.7 | -89.3 | 144.1 | 0 | 0 | 0 | 109.9 | |||||
| 453 | V | 35.4 | Very low | 44.2 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 67% | 0.673 | 81% | 0.805 | S | S | * | * | trans | -77.3 | 140.1 | 169.2 | 169.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 454 | T | 43.5 | Very low | 44.3 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -151.9 | 109.1 | 148.3 | 7.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 455 | L | 36.8 | Very low | 44.3 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -68.4 | 140.3 | 159.4 | -82.6 | 145 | 0 | 0 | 0 | 110.1 | ||||
| 456 | A | 41.2 | Very low | 44.6 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -159.2 | 110.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 457 | T | 38.5 | Very low | 44.8 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | -39.1 | 151.6 | 159.5 | 39.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 458 | L | 43.2 | Very low | 44.9 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | 172.7 | 104.9 | 132 | -90.6 | 146.3 | 0 | 0 | 0 | 108.3 | ||||
| 459 | L | 39.1 | Very low | 44.7 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | 60.7 | 129.8 | 87.8 | -79.7 | 166.7 | 0 | 0 | 0 | 115.5 | |||||
| 460 | I | 53.6 | Low | 44.8 | Very low | 157 Ų | 157 | 142 Ų | 142 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | trans | 154.9 | 95.6 | 147.1 | -75.7 | 153.1 | 0 | 0 | 0 | 107.1 | ||||
| 461 | I | 54.5 | Low | 44.8 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | 52.7 | 104.7 | 85.3 | -49.7 | 172.7 | 0 | 0 | 0 | 112.3 | |||||
| 462 | G | 56 | Low | 45.5 | Very low | 66 Ų | 66 | 140 Ų | 140 | 68% | 0.68 | 83% | 0.831 | S | S | * | * | 134.8 | 170.9 | 82.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 463 | P | 60.8 | Low | 45.7 | Very low | 207 Ų | 207 | 137.8 Ų | 137.8 | 100% | 1.344 | 83% | 0.83 | S | S | * | * | cis | -98 | 0 | 16.9 | 38.7 | -34.6 | 0 | 0 | 0 | 115.9 |
Retrieved 463 of 463 residues in 814.3 ms
(Link to these results)