| 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 | 41.8 | Very low | 48.7 | Very low | 236 Ų | 236 | 151.6 Ų | 151.6 | 100% | 1.163 | 80% | 0.795 | S | S | * | * | 0 | 121.7 | 0 | -73.5 | -165.6 | 159.5 | 0 | 0 | 107.4 | |||||
| 2 | P | 40.5 | Very low | 49.3 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -83 | 128.6 | 170.3 | 13.4 | 2.2 | 0 | 0 | 0 | 109.4 | ||||
| 3 | S | 48.1 | Very low | 49.8 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -65 | 128.3 | 174.8 | -56.4 | 0 | 0 | 0 | 0 | 110 | E5 | S3-E5 PolarHBondContact O-N 3.34Š| ||
| 4 | I | 45.3 | Very low | 49.9 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | -78.2 | 107.4 | 168.8 | -74.1 | 167.3 | 0 | 0 | 0 | 106.6 | Y6 | I4-Y6 HydrophobicContact CG2-CD2 3.62Å; I4-Y6 HydrophobicContact CG2-CE2 3.5Å; I4-Y6 HydrophobicContact CG2-CG 4.46Å; I4-Y6 PolarHBondContact O-N 3.41Å | ||
| 5 | E | 50.4 | Low | 50.1 | Low | 187 Ų | 187 | 139.9 Ų | 139.9 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | trans | -70.2 | 115.9 | 163 | -69.4 | -179 | 168.1 | 0 | 0 | 107.4 | S3 | S3-E5 PolarHBondContact O-N 3.34Š| ||
| 6 | Y | 45.7 | Very low | 50 | Low | 203 Ų | 203 | 137.9 Ų | 137.9 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | trans | -84.1 | 116.3 | 168.9 | -89.9 | -92.9 | 0 | 0 | 0 | 107.8 | I4 D8 | I4-Y6 HydrophobicContact CG2-CD2 3.62Å; I4-Y6 HydrophobicContact CG2-CE2 3.5Å; I4-Y6 HydrophobicContact CG2-CG 4.46Å; I4-Y6 PolarHBondContact O-N 3.41Å; Y6-D8 PolarHBondContact O-N 3.12Å | ||
| 7 | D | 44.6 | Very low | 50.4 | Low | 140 Ų | 140 | 135.1 Ų | 135.1 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | trans | -69.9 | 102.1 | 172.6 | -158.3 | -46.9 | 0 | 0 | 0 | 108.9 | S9 | D7-S9 PolarHBondContact O-N 3.17Å; D7-S9 VanDerWaalsContact O-N 3.12Å; D7-S9 WeakPolarHBondContact OD1-CB 3.22Å; D7-S9 PolarHBondContact OD1-OG 2.71Å | ||
| 8 | D | 54.8 | Low | 50.6 | Low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 71% | 0.712 | S | S | * | * | trans | -85.2 | 50.1 | -177 | -134.5 | -45.6 | 0 | 0 | 0 | 111.1 | Y6 | Y6-D8 PolarHBondContact O-N 3.12Š| ||
| 9 | S | 59.9 | Low | 50.5 | Low | 88 Ų | 88 | 139.2 Ų | 139.2 | 62% | 0.615 | 72% | 0.718 | S | S | * | * | trans | -132.1 | 49.4 | -171.5 | -37.6 | 0 | 0 | 0 | 0 | 112.3 | D7 | D7-S9 PolarHBondContact O-N 3.17Å; D7-S9 VanDerWaalsContact O-N 3.12Å; D7-S9 WeakPolarHBondContact OD1-CB 3.22Å; D7-S9 PolarHBondContact OD1-OG 2.71Å | ||
| 10 | K | 50.6 | Low | 50.5 | Low | 198 Ų | 198 | 140.6 Ų | 140.6 | 86% | 0.861 | 72% | 0.721 | S | S | * | * | trans | -114.5 | 105.7 | 157 | -72.5 | -174.6 | -177.9 | 177.3 | 0 | 107.7 | S12 | K10-S12 PolarHBondContact O-N 3.33Š| ||
| 11 | P | 54.8 | Low | 50.1 | Low | 77 Ų | 77 | 136.7 Ų | 136.7 | 50% | 0.5 | 72% | 0.716 | S | S | . | * | trans | -53.8 | 136.9 | 175.5 | 20.7 | -29.6 | 0 | 0 | 0 | 108.4 | W13 D15 | P11-W13 PolarHBondContact O-N 2.83Å; P11-D15 HydrophobicContact CB-CB 4.25Å | ||
| 12 | S | 55.6 | Low | 50.3 | Low | 64 Ų | 64 | 131.6 Ų | 131.6 | 45% | 0.448 | 69% | 0.693 | S | S | . | * | trans | -51.5 | 143.9 | 173.3 | 173.5 | 0 | 0 | 0 | 0 | 108.1 | K10 A14 D15 Q16 | K10-S12 PolarHBondContact O-N 3.33Å; S12-A14 CarbonylContact O-C 3.52Å; S12-A14 PolarHBondContact O-N 3.46Å; S12-A14 WeakPolarHBondContact OG-CB 3.43Å; S12-A14 PolarHBondContact OG-N 3.22Å; S12-D15 PolarHBondContact O-N 3.46Å; S12-Q16 PolarHBondContact O-N 3.31Å | ||
| 13 | W | 55.9 | Low | 50.8 | Low | 220 Ų | 220 | 134.7 Ų | 134.7 | 83% | 0.833 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | -21 | 170.8 | -178.1 | 60.5 | 0 | 0 | 0 | 112.2 | P11 V17 | P11-W13 PolarHBondContact O-N 2.83Å; W13-V17 WeakPolarHBondContact O-CG2 3.47Å |
| 14 | A | 50.3 | Low | 51.2 | Low | 54 Ų | 54 | 132.7 Ų | 132.7 | 45% | 0.446 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | -43.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S12 V17 E18 | S12-A14 CarbonylContact O-C 3.52Å; S12-A14 PolarHBondContact O-N 3.46Å; S12-A14 WeakPolarHBondContact OG-CB 3.43Å; S12-A14 PolarHBondContact OG-N 3.22Å; A14-V17 PolarHBondContact O-N 3.42Å; A14-E18 PolarHBondContact O-N 2.91Å |
| 15 | D | 53.6 | Low | 51.9 | Low | 92 Ų | 92 | 131.3 Ų | 131.3 | 49% | 0.492 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -72.8 | -37 | -175.9 | -64.4 | -36.6 | 0 | 0 | 0 | 111.7 | P11 S12 V17 E18 E19 | P11-D15 HydrophobicContact CB-CB 4.25Å; S12-D15 PolarHBondContact O-N 3.46Å; D15-V17 VanDerWaalsContact C-N 3.27Å; D15-V17 PolarHBondContact O-N 3.2Å; D15-E18 PolarHBondContact O-N 3.35Å; D15-E19 PolarHBondContact O-N 3.24Å |
| 16 | Q | 48.7 | Very low | 52.7 | Low | 108 Ų | 108 | 125.1 Ų | 125.1 | 51% | 0.505 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -72.2 | -20.2 | 179.6 | -160.2 | 167.8 | 21.6 | 0 | 0 | 113.2 | S12 | S12-Q16 PolarHBondContact O-N 3.31Å |
| 17 | V | 55.8 | Low | 54 | Low | 90 Ų | 90 | 118.8 Ų | 118.8 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -84 | -23.9 | 174.8 | 171 | 0 | 0 | 0 | 0 | 111.5 | W13 A14 D15 | W13-V17 WeakPolarHBondContact O-CG2 3.47Å; A14-V17 PolarHBondContact O-N 3.42Å; D15-V17 VanDerWaalsContact C-N 3.27Å; D15-V17 PolarHBondContact O-N 3.2Å |
| 18 | E | 55.3 | Low | 55.1 | Low | 170 Ų | 170 | 116.9 Ų | 116.9 | 79% | 0.794 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -80.8 | -25.3 | 176.5 | -71.7 | -169.5 | 165.4 | 0 | 0 | 113 | A14 D15 | A14-E18 PolarHBondContact O-N 2.91Å; D15-E18 PolarHBondContact O-N 3.35Å |
| 19 | E | 48.8 | Very low | 56.1 | Low | 178 Ų | 178 | 112.8 Ų | 112.8 | 83% | 0.832 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -91.3 | -20.9 | -175.5 | -161.9 | 168.2 | -171.1 | 0 | 0 | 114.8 | D15 | D15-E19 PolarHBondContact O-N 3.24Å |
| 20 | E | 49.5 | Very low | 57 | Low | 168 Ų | 168 | 115.7 Ų | 115.7 | 79% | 0.785 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -124.5 | 6.7 | -166.2 | -117.3 | -178.9 | -175.7 | 0 | 0 | 117.4 | ||
| 21 | G | 43.4 | Very low | 58.3 | Low | 59 Ų | 59 | 111.9 Ų | 111.9 | 61% | 0.608 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -145.1 | 91.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 22 | D | 45.5 | Very low | 59.4 | Low | 128 Ų | 128 | 111.5 Ų | 111.5 | 68% | 0.684 | 61% | 0.612 | S | S | * | * | trans | 68.1 | 105.5 | 147.8 | -151.4 | -115.4 | 0 | 0 | 0 | 117.6 | G24 T25 | D22-G24 PolarHBondContact O-N 3.35Å; D22-T25 WeakPolarHBondContact OD1-CB 3.49Å; D22-T25 PolarHBondContact OD1-OG1 2.95Å | ||
| 23 | E | 51.3 | Low | 60.5 | Low | 191 Ų | 191 | 113.7 Ų | 113.7 | 89% | 0.893 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -41.4 | 100.2 | 163.8 | -168 | 172.2 | 179.2 | 0 | 0 | 112.4 | T25 | E23-T25 PolarHBondContact O-N 2.99Å; E23-T25 VanDerWaalsContact O-N 3.17Å |
| 24 | G | 55.1 | Low | 61.5 | Low | 73 Ų | 73 | 110.9 Ų | 110.9 | 75% | 0.753 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 80.5 | -6.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | D22 L26 | D22-G24 PolarHBondContact O-N 3.35Å; G24-L26 PolarHBondContact O-N 3.39Å |
| 25 | T | 60.4 | Low | 63 | Low | 106 Ų | 106 | 111.2 Ų | 111.2 | 65% | 0.65 | 62% | 0.62 | S | S | * | * | trans | -92.3 | 108.2 | -174.2 | -32.9 | 0 | 0 | 0 | 0 | 112.7 | D22 E23 | D22-T25 WeakPolarHBondContact OD1-CB 3.49Å; D22-T25 PolarHBondContact OD1-OG1 2.95Å; E23-T25 PolarHBondContact O-N 2.99Å; E23-T25 VanDerWaalsContact O-N 3.17Å | ||
| 26 | L | 66.8 | Low | 64.1 | Low | 58 Ų | 58 | 112.2 Ų | 112.2 | 30% | 0.304 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 139.8 | 170.7 | -69.8 | 163.8 | 0 | 0 | 0 | 110.6 | G24 I45 | G24-L26 PolarHBondContact O-N 3.39Å; L26-I45 HydrophobicContact CD1-CD1 3.91Å; L26-I45 HydrophobicContact CD1-CG1 3.96Å; L26-I45 HydrophobicContact CD2-CD1 4.08Å; L26-I45 HydrophobicContact CD2-CG1 3.98Å; L26-I45 HydrophobicContact CG-CD1 3.98Å; L26-I45 HydrophobicContact CG-CG1 4.26Å |
| 27 | P | 73.9 | Confident | 65.4 | Low | 70 Ų | 70 | 111 Ų | 111 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 139.6 | -179.9 | 27 | -33.7 | 0 | 0 | 0 | 111.3 | Y43 | P27-Y43 HydrophobicContact CG-CD2 3.54Å; P27-Y43 HydrophobicContact CG-CE2 3.86Å; P27-Y43 HydrophobicContact CG-CG 4.13Å |
| 28 | S | 68.5 | Low | 66.6 | Low | 99 Ų | 99 | 109.1 Ų | 109.1 | 69% | 0.692 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 143.1 | 179.2 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | K30 | S28-K30 PolarHBondContact O-N 3.49Š|
| 29 | P | 74.3 | Confident | 67.8 | Low | 78 Ų | 78 | 102.6 Ų | 102.6 | 51% | 0.506 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 132.8 | -179.7 | -26.3 | 33.7 | 0 | 0 | 0 | 112.7 | T41 E42 | P29-T41 WeakPolarHBondContact CA-O 3.49Å; P29-E42 HydrophobicContact CG-CG 4.38Å |
| 30 | K | 78.4 | Confident | 69.4 | Low | 148 Ų | 148 | 95 Ų | 95 | 64% | 0.643 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 130.1 | 177.3 | -67.8 | -176.6 | -178.1 | 177.6 | 0 | 110.3 | S28 V40 T41 | S28-K30 PolarHBondContact O-N 3.49Å; K30-V40 WeakPolarHBondContact O-CA 3.34Å; K30-T41 PolarHBondContact N-O 3.2Å; K30-T41 PolarHBondContact O-N 3.18Å |
| 31 | E | 78 | Confident | 70.9 | Confident | 118 Ų | 118 | 88.2 Ų | 88.2 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.8 | 173.5 | -53.6 | -163 | 148 | 0 | 0 | 110.2 | K38 V40 | E31-K38 VanDerWaalsContact OE1-CE 3.3Å; E31-K38 WeakPolarHBondContact OE1-CE 3.19Å; E31-K38 IonicContact OE1-NZ 3.45Å; E31-K38 PolarHBondContact OE1-NZ 2.86Å; E31-K38 WeakPolarHBondContact OE2-CE 3.47Å; E31-K38 IonicContact OE2-NZ 3.32Å; E31-K38 PolarHBondContact OE2-NZ 3.46Å; E31-V40 HydrophobicContact CG-CG2 4.19Å |
| 32 | T | 79.5 | Confident | 72.8 | Confident | 70 Ų | 70 | 88.5 Ų | 88.5 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 125.5 | 173.3 | -53.1 | 0 | 0 | 0 | 0 | 109.4 | K34 T39 | T32-K34 HydrophobicContact CG2-CG 4.27Å; T32-T39 PolarHBondContact N-O 3.33Å; T32-T39 PolarHBondContact O-N 3.18Å |
| 33 | I | 77.7 | Confident | 74.5 | Confident | 109 Ų | 109 | 86.5 Ų | 86.5 | 56% | 0.559 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 113.3 | 179.7 | -56.9 | 173 | 0 | 0 | 0 | 108.1 | K38 | I33-K38 HydrophobicContact CG1-CB 4.29Å; I33-K38 HydrophobicContact CG1-CG 4.16Å |
| 34 | K | 78 | Confident | 75.8 | Confident | 161 Ų | 161 | 83 Ų | 83 | 70% | 0.7 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 97.2 | 174.3 | -67.8 | -174.2 | -179.3 | -178.1 | 0 | 108.8 | T32 N36 I37 | T32-K34 HydrophobicContact CG2-CG 4.27Å; K34-N36 PolarHBondContact O-N 2.96Å; K34-N36 VanDerWaalsContact O-N 3.13Å; K34-I37 PolarHBondContact N-O 2.98Å; K34-I37 PolarHBondContact O-N 3.17Å |
| 35 | G | 81.2 | Confident | 77 | Confident | 62 Ų | 62 | 82.9 Ų | 82.9 | 64% | 0.639 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | -115.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 36 | N | 75.9 | Confident | 77.8 | Confident | 113 Ų | 113 | 81 Ų | 81 | 60% | 0.604 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 7.4 | -178.1 | -64.8 | 22.5 | 0 | 0 | 0 | 113.5 | K34 K59 I60 | K34-N36 PolarHBondContact O-N 2.96Å; K34-N36 VanDerWaalsContact O-N 3.13Å; N36-K59 CarbonylContact O-C 3.6Å; N36-K59 WeakPolarHBondContact O-CA 3.24Å; N36-I60 PolarHBondContact O-N 2.83Å |
| 37 | I | 76.9 | Confident | 78.1 | Confident | 82 Ų | 82 | 86.8 Ų | 86.8 | 42% | 0.421 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 118 | -179.2 | -56.2 | 174.2 | 0 | 0 | 0 | 109.1 | K34 T57 F58 | K34-I37 PolarHBondContact N-O 2.98Å; K34-I37 PolarHBondContact O-N 3.17Å; I37-T57 HydrophobicContact CG2-CG2 4.45Å; I37-F58 CarbonylContact C-O 3.55Å; I37-F58 WeakPolarHBondContact CA-O 3.34Å |
| 38 | K | 79.6 | Confident | 78.3 | Confident | 50 Ų | 50 | 90.2 Ų | 90.2 | 22% | 0.217 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 117.7 | 169.5 | 172.9 | 179.6 | 179.9 | 178 | 0 | 108.5 | E31 I33 V40 T57 F58 I60 | E31-K38 VanDerWaalsContact OE1-CE 3.3Å; E31-K38 WeakPolarHBondContact OE1-CE 3.19Å; E31-K38 IonicContact OE1-NZ 3.45Å; E31-K38 PolarHBondContact OE1-NZ 2.86Å; E31-K38 WeakPolarHBondContact OE2-CE 3.47Å; E31-K38 IonicContact OE2-NZ 3.32Å; E31-K38 PolarHBondContact OE2-NZ 3.46Å; I33-K38 HydrophobicContact CG1-CB 4.29Å; I33-K38 HydrophobicContact CG1-CG 4.16Å; K38-V40 HydrophobicContact CD-CG2 4.49Å; K38-V40 HydrophobicContact CG-CG2 4.29Å; K38-T57 CarbonylContact O-C 3.59Å; K38-F58 HydrophobicContact CB-CB 4.21Å; K38-F58 HydrophobicContact CG-CD2 4.44Å; K38-F58 PolarHBondContact N-O 3.07Å; K38-F58 PolarHBondContact O-N 3.28Å; K38-I60 HydrophobicContact CB-CD1 4.22Å |
| 39 | T | 81.3 | Confident | 78.4 | Confident | 34 Ų | 34 | 88.1 Ų | 88.1 | 21% | 0.209 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.1 | 175 | -54.3 | 0 | 0 | 0 | 0 | 109.3 | T32 V55 R56 T57 | T32-T39 PolarHBondContact N-O 3.33Å; T32-T39 PolarHBondContact O-N 3.18Å; T39-V55 HydrophobicContact CG2-CG1 3.5Å; T39-R56 CarbonylContact C-O 3.59Å; T39-R56 WeakPolarHBondContact CA-O 3.28Å; T39-T57 HydrophobicContact CG2-CG2 4.02Å |
| 40 | V | 81.4 | Confident | 78.6 | Confident | 19 Ų | 19 | 91.4 Ų | 91.4 | 12% | 0.115 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.7 | 173.7 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | K30 E31 K38 R56 F58 | K30-V40 WeakPolarHBondContact O-CA 3.34Å; E31-V40 HydrophobicContact CG-CG2 4.19Å; K38-V40 HydrophobicContact CD-CG2 4.49Å; K38-V40 HydrophobicContact CG-CG2 4.29Å; V40-R56 PolarHBondContact N-O 2.98Å; V40-R56 PolarHBondContact O-N 2.82Å; V40-F58 HydrophobicContact CB-CE2 4.18Å; V40-F58 HydrophobicContact CG2-CD2 4.05Å; V40-F58 HydrophobicContact CG2-CE2 3.67Å |
| 41 | T | 82.6 | Confident | 78.6 | Confident | 24 Ų | 24 | 92.5 Ų | 92.5 | 15% | 0.147 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.3 | 177 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | P29 K30 Y43 K53 V55 | P29-T41 WeakPolarHBondContact CA-O 3.49Å; K30-T41 PolarHBondContact N-O 3.2Å; K30-T41 PolarHBondContact O-N 3.18Å; T41-Y43 HydrophobicContact CG2-CE2 4.01Å; T41-K53 HydrophobicContact CG2-CD 4.27Å; T41-K53 HydrophobicContact CG2-CG 4Å; T41-V55 HydrophobicContact CG2-CG2 4.35Å |
| 42 | E | 81.9 | Confident | 78.7 | Confident | 65 Ų | 65 | 88.4 Ų | 88.4 | 30% | 0.304 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.3 | 178.3 | -179.7 | 175.5 | -156.9 | 0 | 0 | 108.8 | P29 I54 R56 | P29-E42 HydrophobicContact CG-CG 4.38Å; E42-I54 PolarHBondContact N-O 3.02Å; E42-I54 PolarHBondContact O-N 2.89Å; E42-R56 IonicContact OE2-CZ 3.8Å; E42-R56 IonicContact OE2-NH1 2.78Å; E42-R56 PolarHBondContact OE2-NH1 2.8Å; E42-R56 IonicContact OE2-NH2 3.98Å |
| 43 | Y | 82 | Confident | 78.7 | Confident | 86 Ų | 86 | 91.1 Ų | 91.1 | 34% | 0.337 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 133.8 | 174.1 | -62.4 | -93.7 | 0 | 0 | 0 | 107.9 | P27 T41 S52 K53 | P27-Y43 HydrophobicContact CG-CD2 3.54Å; P27-Y43 HydrophobicContact CG-CE2 3.86Å; P27-Y43 HydrophobicContact CG-CG 4.13Å; T41-Y43 HydrophobicContact CG2-CE2 4.01Å; Y43-S52 WeakPolarHBondContact CA-O 3.14Å; Y43-K53 HydrophobicContact CD1-CB 3.99Å; Y43-K53 HydrophobicContact CD1-CG 4.08Å; Y43-K53 HydrophobicContact CE1-CB 3.89Å; Y43-K53 HydrophobicContact CE1-CD 3.87Å; Y43-K53 HydrophobicContact CE1-CG 3.65Å |
| 44 | K | 77.5 | Confident | 78.8 | Confident | 117 Ų | 117 | 88.2 Ų | 88.2 | 51% | 0.509 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 150.3 | 177.1 | -165.2 | -178.5 | 175.7 | -165.5 | 0 | 109.1 | K51 S52 I54 | K44-K51 CarbonylContact O-C 3.52Å; K44-K51 WeakPolarHBondContact O-CA 3.25Å; K44-S52 PolarHBondContact N-O 3.09Å; K44-S52 PolarHBondContact O-N 3Å; K44-S52 PolarHBondContact O-OG 3.36Å; K44-I54 HydrophobicContact CB-CD1 4.05Å; K44-I54 HydrophobicContact CD-CD1 4.44Å |
| 45 | I | 81.7 | Confident | 79 | Confident | 72 Ų | 72 | 84.2 Ų | 84.2 | 37% | 0.369 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123.4 | 168.3 | -65.6 | 157.8 | 0 | 0 | 0 | 106.4 | L26 K50 K51 | L26-I45 HydrophobicContact CD1-CD1 3.91Å; L26-I45 HydrophobicContact CD1-CG1 3.96Å; L26-I45 HydrophobicContact CD2-CD1 4.08Å; L26-I45 HydrophobicContact CD2-CG1 3.98Å; L26-I45 HydrophobicContact CG-CD1 3.98Å; L26-I45 HydrophobicContact CG-CG1 4.26Å; I45-K50 WeakPolarHBondContact CA-O 3.32Å; I45-K51 HydrophobicContact CG1-CG 4.05Å |
| 46 | D | 76.5 | Confident | 78.8 | Confident | 67 Ų | 67 | 85.2 Ų | 85.2 | 36% | 0.358 | 43% | 0.431 | S | S | . | . | trans | -79.2 | 165.1 | 175.7 | -64.6 | -41.9 | 0 | 0 | 0 | 110.5 | D48 G49 K50 S52 | D46-D48 PolarHBondContact O-N 3.37Å; D46-G49 PolarHBondContact O-N 3.17Å; D46-K50 PolarHBondContact N-O 3.49Å; D46-S52 PolarHBondContact OD1-OG 3.25Å; D46-S52 VanDerWaalsContact OD2-CB 3.25Å; D46-S52 WeakPolarHBondContact OD2-CB 3.4Å; D46-S52 PolarHBondContact OD2-OG 2.75Å | ||
| 47 | D | 72.8 | Confident | 78.9 | Confident | 178 Ų | 178 | 84.5 Ų | 84.5 | 95% | 0.952 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -19.3 | -173.7 | -64.3 | -34.8 | 0 | 0 | 0 | 113.7 | G49 | D47-G49 VanDerWaalsContact C-N 3.33Š|
| 48 | D | 77.8 | Confident | 79 | Confident | 142 Ų | 142 | 83.8 Ų | 83.8 | 76% | 0.759 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 9.7 | 174.6 | -61.2 | -52.4 | 0 | 0 | 0 | 114.1 | D46 K50 | D46-D48 PolarHBondContact O-N 3.37Å; D48-K50 VanDerWaalsContact C-N 3.26Å; D48-K50 PolarHBondContact O-N 3.45Å |
| 49 | G | 72 | Confident | 79 | Confident | 55 Ų | 55 | 89.4 Ų | 89.4 | 57% | 0.567 | 45% | 0.45 | S | S | * | . | S | Bend | trans | 75.7 | 6.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D46 D47 | D46-G49 PolarHBondContact O-N 3.17Å; D47-G49 VanDerWaalsContact C-N 3.33Å |
| 50 | K | 77.1 | Confident | 78.9 | Confident | 148 Ų | 148 | 91.8 Ų | 91.8 | 64% | 0.643 | 46% | 0.46 | S | S | * | . | trans | -85.7 | 134.3 | 178 | -68 | 177.3 | -176.9 | 168.6 | 0 | 111 | I45 D46 D48 S52 | I45-K50 WeakPolarHBondContact CA-O 3.32Å; D46-K50 PolarHBondContact N-O 3.49Å; D48-K50 VanDerWaalsContact C-N 3.26Å; D48-K50 PolarHBondContact O-N 3.45Å; K50-S52 PolarHBondContact O-N 3.41Å | ||
| 51 | K | 79.4 | Confident | 78.9 | Confident | 171 Ų | 171 | 96 Ų | 96 | 74% | 0.743 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 114.7 | 175.3 | -64.9 | 175.2 | -177 | 173.3 | 0 | 109.8 | K44 I45 | K44-K51 CarbonylContact O-C 3.52Å; K44-K51 WeakPolarHBondContact O-CA 3.25Å; I45-K51 HydrophobicContact CG1-CG 4.05Å |
| 52 | S | 79.7 | Confident | 78.8 | Confident | 31 Ų | 31 | 101.4 Ų | 101.4 | 22% | 0.217 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 137 | 173.8 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | Y43 K44 D46 K50 | Y43-S52 WeakPolarHBondContact CA-O 3.14Å; K44-S52 PolarHBondContact N-O 3.09Å; K44-S52 PolarHBondContact O-N 3Å; K44-S52 PolarHBondContact O-OG 3.36Å; D46-S52 PolarHBondContact OD1-OG 3.25Å; D46-S52 VanDerWaalsContact OD2-CB 3.25Å; D46-S52 WeakPolarHBondContact OD2-CB 3.4Å; D46-S52 PolarHBondContact OD2-OG 2.75Å; K50-S52 PolarHBondContact O-N 3.41Å |
| 53 | K | 80.4 | Confident | 78.8 | Confident | 127 Ų | 127 | 107.1 Ų | 107.1 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 114.4 | 175.8 | -177.6 | -175.5 | -178.3 | 179 | 0 | 109.4 | T41 Y43 V55 | T41-K53 HydrophobicContact CG2-CD 4.27Å; T41-K53 HydrophobicContact CG2-CG 4Å; Y43-K53 HydrophobicContact CD1-CB 3.99Å; Y43-K53 HydrophobicContact CD1-CG 4.08Å; Y43-K53 HydrophobicContact CE1-CB 3.89Å; Y43-K53 HydrophobicContact CE1-CD 3.87Å; Y43-K53 HydrophobicContact CE1-CG 3.65Å; K53-V55 HydrophobicContact CD-CG2 4.23Å; K53-V55 HydrophobicContact CG-CG2 4.1Å |
| 54 | I | 79.4 | Confident | 79.2 | Confident | 48 Ų | 48 | 113.5 Ų | 113.5 | 25% | 0.246 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.7 | 110.6 | 179.5 | -55.9 | 172.2 | 0 | 0 | 0 | 108.2 | E42 K44 R56 | E42-I54 PolarHBondContact N-O 3.02Å; E42-I54 PolarHBondContact O-N 2.89Å; K44-I54 HydrophobicContact CB-CD1 4.05Å; K44-I54 HydrophobicContact CD-CD1 4.44Å; I54-R56 HydrophobicContact CG2-CG 4.02Å |
| 55 | V | 81.1 | Confident | 79.8 | Confident | 77 Ų | 77 | 110.4 Ų | 110.4 | 47% | 0.467 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 108.9 | 175.6 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | T39 T41 K53 | T39-V55 HydrophobicContact CG2-CG1 3.5Å; T41-V55 HydrophobicContact CG2-CG2 4.35Å; K53-V55 HydrophobicContact CD-CG2 4.23Å; K53-V55 HydrophobicContact CG-CG2 4.1Å |
| 56 | R | 77.1 | Confident | 80.5 | Confident | 83 Ų | 83 | 110.3 Ų | 110.3 | 31% | 0.313 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 127.2 | 176 | -61.5 | -173.7 | -178 | 107.7 | -2.2 | 109.9 | T39 V40 E42 I54 F58 | T39-R56 CarbonylContact C-O 3.59Å; T39-R56 WeakPolarHBondContact CA-O 3.28Å; V40-R56 PolarHBondContact N-O 2.98Å; V40-R56 PolarHBondContact O-N 2.82Å; E42-R56 IonicContact OE2-CZ 3.8Å; E42-R56 IonicContact OE2-NH1 2.78Å; E42-R56 PolarHBondContact OE2-NH1 2.8Å; E42-R56 IonicContact OE2-NH2 3.98Å; I54-R56 HydrophobicContact CG2-CG 4.02Å; R56-F58 HydrophobicContact CB-CE2 3.94Å; R56-F58 HydrophobicContact CB-CZ 4.23Å |
| 57 | T | 78.2 | Confident | 81.3 | Confident | 99 Ų | 99 | 115.7 Ų | 115.7 | 61% | 0.607 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.1 | 176.4 | 51.5 | 0 | 0 | 0 | 0 | 110.3 | I37 K38 T39 | I37-T57 HydrophobicContact CG2-CG2 4.45Å; K38-T57 CarbonylContact O-C 3.59Å; T39-T57 HydrophobicContact CG2-CG2 4.02Å |
| 58 | F | 78.9 | Confident | 82.3 | Confident | 67 Ų | 67 | 109.7 Ų | 109.7 | 29% | 0.294 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.3 | 117.3 | 178.7 | -60.5 | -86.1 | 0 | 0 | 0 | 109.3 | I37 K38 V40 R56 I60 P88 | I37-F58 CarbonylContact C-O 3.55Å; I37-F58 WeakPolarHBondContact CA-O 3.34Å; K38-F58 HydrophobicContact CB-CB 4.21Å; K38-F58 HydrophobicContact CG-CD2 4.44Å; K38-F58 PolarHBondContact N-O 3.07Å; K38-F58 PolarHBondContact O-N 3.28Å; V40-F58 HydrophobicContact CB-CE2 4.18Å; V40-F58 HydrophobicContact CG2-CD2 4.05Å; V40-F58 HydrophobicContact CG2-CE2 3.67Å; R56-F58 HydrophobicContact CB-CE2 3.94Å; R56-F58 HydrophobicContact CB-CZ 4.23Å; F58-I60 PolarHBondContact O-N 3.34Å; F58-P88 HydrophobicContact CE1-CG 4.45Å |
| 59 | K | 80.8 | Confident | 82.9 | Confident | 168 Ų | 168 | 105.1 Ų | 105.1 | 73% | 0.73 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 112 | 171.1 | -172.5 | 179.2 | 179.5 | -178.4 | 0 | 109.4 | N36 E61 | N36-K59 CarbonylContact O-C 3.6Å; N36-K59 WeakPolarHBondContact O-CA 3.24Å; K59-E61 PolarHBondContact O-N 3.3Å |
| 60 | I | 78.6 | Confident | 83.7 | Confident | 84 Ų | 84 | 104.6 Ų | 104.6 | 43% | 0.431 | 53% | 0.525 | S | S | . | . | trans | -79.8 | 106 | 174.4 | -55.7 | 174.8 | 0 | 0 | 0 | 107.6 | N36 K38 F58 | N36-I60 PolarHBondContact O-N 2.83Å; K38-I60 HydrophobicContact CB-CD1 4.22Å; F58-I60 PolarHBondContact O-N 3.34Å | ||
| 61 | E | 81.3 | Confident | 84.3 | Confident | 107 Ų | 107 | 106 Ų | 106 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | trans | -110.2 | 120.8 | 176.4 | -166.3 | -168.3 | 152.5 | 0 | 0 | 110.3 | K59 R63 | K59-E61 PolarHBondContact O-N 3.3Å; E61-R63 VanDerWaalsContact CD-NE 3.27Å; E61-R63 HydrophobicContact CG-CG 4.28Å; E61-R63 PolarHBondContact O-N 3.29Å; E61-R63 WeakPolarHBondContact OE1-CG 3.39Å; E61-R63 IonicContact OE1-CZ 2.8Å; E61-R63 IonicContact OE1-NE 2.84Å; E61-R63 PolarHBondContact OE1-NE 3.37Å; E61-R63 IonicContact OE1-NH2 3.51Å; E61-R63 PolarHBondContact OE1-NH2 2.77Å; E61-R63 IonicContact OE2-CZ 2.8Å; E61-R63 IonicContact OE2-NE 3.59Å; E61-R63 PolarHBondContact OE2-NE 3.28Å; E61-R63 IonicContact OE2-NH2 2.8Å; E61-R63 PolarHBondContact OE2-NH2 3.39Å | ||
| 62 | T | 80.4 | Confident | 84.9 | Confident | 138 Ų | 138 | 104.6 Ų | 104.6 | 85% | 0.847 | 52% | 0.516 | S | S | * | . | trans | -85.1 | 104.5 | 174.8 | -53 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 63 | R | 83.2 | Confident | 85.3 | Confident | 184 Ų | 184 | 110.6 Ų | 110.6 | 69% | 0.694 | 54% | 0.538 | S | S | * | . | trans | -99.6 | 139 | 173.5 | -67.2 | -170.6 | -179.1 | 168.4 | 9.9 | 111.6 | E61 A65 | E61-R63 VanDerWaalsContact CD-NE 3.27Å; E61-R63 HydrophobicContact CG-CG 4.28Å; E61-R63 PolarHBondContact O-N 3.29Å; E61-R63 WeakPolarHBondContact OE1-CG 3.39Å; E61-R63 IonicContact OE1-CZ 2.8Å; E61-R63 IonicContact OE1-NE 2.84Å; E61-R63 PolarHBondContact OE1-NE 3.37Å; E61-R63 IonicContact OE1-NH2 3.51Å; E61-R63 PolarHBondContact OE1-NH2 2.77Å; E61-R63 IonicContact OE2-CZ 2.8Å; E61-R63 IonicContact OE2-NE 3.59Å; E61-R63 PolarHBondContact OE2-NE 3.28Å; E61-R63 IonicContact OE2-NH2 2.8Å; E61-R63 PolarHBondContact OE2-NH2 3.39Å; R63-A65 PolarHBondContact O-N 3.26Å | ||
| 64 | K | 90.5 | Very high | 85.5 | Confident | 220 Ų | 220 | 111.5 Ų | 111.5 | 96% | 0.957 | 55% | 0.549 | S | S | * | . | trans | -64.1 | 131.2 | 171.1 | -67.7 | -178.4 | -179.4 | 177.2 | 0 | 109.1 | ||||
| 65 | A | 89.6 | Confident | 86.1 | Confident | 53 Ų | 53 | 117.7 Ų | 117.7 | 44% | 0.438 | 57% | 0.57 | S | S | . | * | trans | -129.6 | 157.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R63 V69 | R63-A65 PolarHBondContact O-N 3.26Å; A65-V69 HydrophobicContact CB-CB 4.18Å; A65-V69 HydrophobicContact CB-CG1 3.92Å | ||
| 66 | S | 95.1 | Very high | 86.5 | Confident | 69 Ų | 69 | 121.4 Ų | 121.4 | 48% | 0.483 | 58% | 0.579 | S | S | . | * | trans | -64.7 | 155.5 | 176.1 | 71 | 0 | 0 | 0 | 0 | 111.5 | A68 V69 A70 | S66-A68 PolarHBondContact O-N 3.13Å; S66-V69 PolarHBondContact O-N 3.14Å; S66-V69 VanDerWaalsContact OG-CG2 3.29Å; S66-V69 WeakPolarHBondContact OG-CG2 3.42Å; S66-V69 PolarHBondContact OG-N 3.3Å; S66-A70 PolarHBondContact O-N 3.06Å | ||
| 67 | K | 93.9 | Very high | 87.1 | Confident | 180 Ų | 180 | 120.7 Ų | 120.7 | 78% | 0.783 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -55.2 | -37.4 | -179 | -170.4 | 174.9 | -177.4 | 177 | 0 | 112.5 | R71 | K67-R71 WeakPolarHBondContact O-CG 3.36Å; K67-R71 PolarHBondContact O-N 3.11Å; K67-R71 VanDerWaalsContact O-N 3.14Å |
| 68 | A | 93.4 | Very high | 87.8 | Confident | 52 Ų | 52 | 124.1 Ų | 124.1 | 43% | 0.43 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.4 | -42.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S66 R71 R72 | S66-A68 PolarHBondContact O-N 3.13Å; A68-R71 PolarHBondContact O-N 3.18Å; A68-R72 PolarHBondContact O-N 2.87Å |
| 69 | V | 91.7 | Very high | 88.5 | Confident | 46 Ų | 46 | 123.4 Ų | 123.4 | 28% | 0.279 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67 | -43 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | A65 S66 R71 R72 K73 | A65-V69 HydrophobicContact CB-CB 4.18Å; A65-V69 HydrophobicContact CB-CG1 3.92Å; S66-V69 PolarHBondContact O-N 3.14Å; S66-V69 VanDerWaalsContact OG-CG2 3.29Å; S66-V69 WeakPolarHBondContact OG-CG2 3.42Å; S66-V69 PolarHBondContact OG-N 3.3Å; V69-R71 VanDerWaalsContact C-N 3.33Å; V69-R71 PolarHBondContact O-N 2.79Å; V69-R72 PolarHBondContact O-N 3.31Å; V69-K73 HydrophobicContact CG1-CD 4.24Å; V69-K73 HydrophobicContact CG1-CG 4.37Å; V69-K73 WeakPolarHBondContact O-CG 3.38Å; V69-K73 PolarHBondContact O-N 3.29Å |
| 70 | A | 87.6 | Confident | 88.8 | Confident | 45 Ų | 45 | 123.6 Ų | 123.6 | 37% | 0.372 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.6 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S66 R72 K73 N74 | S66-A70 PolarHBondContact O-N 3.06Å; A70-R72 PolarHBondContact O-N 3.06Å; A70-K73 PolarHBondContact O-N 3.26Å; A70-N74 PolarHBondContact O-N 3.27Å |
| 71 | R | 90.4 | Very high | 89.2 | Confident | 177 Ų | 177 | 121.8 Ų | 121.8 | 67% | 0.668 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.8 | -44.5 | 175.2 | -75.5 | 175 | 67.8 | -162.7 | 1 | 112.4 | K67 A68 V69 N74 W75 | K67-R71 WeakPolarHBondContact O-CG 3.36Å; K67-R71 PolarHBondContact O-N 3.11Å; K67-R71 VanDerWaalsContact O-N 3.14Å; A68-R71 PolarHBondContact O-N 3.18Å; V69-R71 VanDerWaalsContact C-N 3.33Å; V69-R71 PolarHBondContact O-N 2.79Å; R71-N74 PolarHBondContact O-N 3.44Å; R71-W75 PolarHBondContact O-NE1 3.42Å |
| 72 | R | 91.8 | Very high | 89.5 | Confident | 142 Ų | 142 | 121.7 Ų | 121.7 | 54% | 0.536 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.5 | -35.5 | 179.9 | -71.2 | -167.5 | -64.9 | -116.9 | 3.8 | 113.1 | A68 V69 A70 N74 W75 | A68-R72 PolarHBondContact O-N 2.87Å; V69-R72 PolarHBondContact O-N 3.31Å; A70-R72 PolarHBondContact O-N 3.06Å; R72-N74 PolarHBondContact O-N 3.08Å; R72-W75 HydrophobicContact CB-CD2 4.47Å; R72-W75 HydrophobicContact CG-CD2 4.4Å; R72-W75 HydrophobicContact CG-CE3 4.49Å; R72-W75 HydrophobicContact CG-CH2 3.96Å; R72-W75 HydrophobicContact CG-CZ2 3.82Å; R72-W75 HydrophobicContact CG-CZ3 4.29Å; R72-W75 WeakPolarHBondContact O-CB 3.21Å; R72-W75 PolarHBondContact O-N 2.82Å |
| 73 | K | 87.1 | Confident | 89.8 | Confident | 157 Ų | 157 | 126.6 Ų | 126.6 | 68% | 0.683 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.7 | -22.9 | 177.1 | -75.8 | -172.1 | 174.4 | -168.9 | 0 | 113.5 | V69 A70 | V69-K73 HydrophobicContact CG1-CD 4.24Å; V69-K73 HydrophobicContact CG1-CG 4.37Å; V69-K73 WeakPolarHBondContact O-CG 3.38Å; V69-K73 PolarHBondContact O-N 3.29Å; A70-K73 PolarHBondContact O-N 3.26Å |
| 74 | N | 86.6 | Confident | 89.9 | Confident | 146 Ų | 146 | 119.8 Ų | 119.8 | 78% | 0.781 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 8.9 | 177.6 | -72.2 | 5.6 | 0 | 0 | 0 | 113.5 | A70 R71 R72 | A70-N74 PolarHBondContact O-N 3.27Å; R71-N74 PolarHBondContact O-N 3.44Å; R72-N74 PolarHBondContact O-N 3.08Å |
| 75 | W | 90.1 | Very high | 89.6 | Confident | 177 Ų | 177 | 114 Ų | 114 | 67% | 0.67 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -68.7 | 139 | 175.5 | -72.5 | -2.9 | 0 | 0 | 0 | 111 | R71 R72 K77 | R71-W75 PolarHBondContact O-NE1 3.42Å; R72-W75 HydrophobicContact CB-CD2 4.47Å; R72-W75 HydrophobicContact CG-CD2 4.4Å; R72-W75 HydrophobicContact CG-CE3 4.49Å; R72-W75 HydrophobicContact CG-CH2 3.96Å; R72-W75 HydrophobicContact CG-CZ2 3.82Å; R72-W75 HydrophobicContact CG-CZ3 4.29Å; R72-W75 WeakPolarHBondContact O-CB 3.21Å; R72-W75 PolarHBondContact O-N 2.82Å; W75-K77 PolarHBondContact O-N 2.93Å |
| 76 | K | 90.8 | Very high | 89.1 | Confident | 155 Ų | 155 | 117.7 Ų | 117.7 | 67% | 0.674 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 132.6 | 173.1 | -162.8 | -168.3 | -179.6 | -158.6 | 0 | 108.2 | E82 | K76-E82 IonicContact NZ-OE1 2.92Å; K76-E82 PolarHBondContact NZ-OE1 2.76Å |
| 77 | K | 90.3 | Very high | 88.3 | Confident | 68 Ų | 68 | 116.6 Ų | 116.6 | 30% | 0.296 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 150.7 | 170.4 | -62.3 | -178.6 | 175.1 | -177.4 | 0 | 109.3 | W75 S81 D84 P85 G87 | W75-K77 PolarHBondContact O-N 2.93Å; K77-S81 WeakPolarHBondContact CB-O 3.38Å; K77-S81 WeakPolarHBondContact CD-O 3.18Å; K77-D84 HydrophobicContact CD-CB 3.78Å; K77-P85 PolarHBondContact NZ-O 3.45Å; K77-G87 PolarHBondContact NZ-O 3.07Å |
| 78 | F | 92.4 | Very high | 87.6 | Confident | 171 Ų | 171 | 112 Ų | 112 | 75% | 0.75 | 57% | 0.574 | S | S | * | * | trans | -139.6 | 167.8 | -176.5 | 60.4 | -91.3 | 0 | 0 | 0 | 110.8 | S81 | F78-S81 PolarHBondContact O-N 2.85Š| ||
| 79 | G | 92.5 | Very high | 86.8 | Confident | 53 Ų | 53 | 111.8 Ų | 111.8 | 55% | 0.546 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | 62.7 | -136.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S81 E82 | G79-S81 PolarHBondContact O-N 2.78Å; G79-S81 VanDerWaalsContact O-N 3.07Å; G79-E82 WeakPolarHBondContact O-CB 3.34Å; G79-E82 PolarHBondContact O-N 2.91Å; G79-E82 VanDerWaalsContact O-N 3.1Å |
| 80 | N | 88.1 | Confident | 85.9 | Confident | 172 Ų | 172 | 113.8 Ų | 113.8 | 92% | 0.92 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -62.9 | -17.3 | -177.3 | -65.6 | -8.5 | 0 | 0 | 0 | 114 | ||
| 81 | S | 86.3 | Confident | 85.4 | Confident | 45 Ų | 45 | 115.8 Ų | 115.8 | 32% | 0.315 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -103.3 | 8.1 | 178.6 | -73.6 | 0 | 0 | 0 | 0 | 113.9 | K77 F78 G79 R83 D84 | K77-S81 WeakPolarHBondContact CB-O 3.38Å; K77-S81 WeakPolarHBondContact CD-O 3.18Å; F78-S81 PolarHBondContact O-N 2.85Å; G79-S81 PolarHBondContact O-N 2.78Å; G79-S81 VanDerWaalsContact O-N 3.07Å; S81-R83 PolarHBondContact O-N 2.92Å; S81-D84 WeakPolarHBondContact CA-OD2 3.45Å; S81-D84 VanDerWaalsContact CB-OD2 3.27Å; S81-D84 WeakPolarHBondContact CB-OD2 3.42Å; S81-D84 WeakPolarHBondContact O-CB 3.36Å; S81-D84 PolarHBondContact O-N 2.8Å; S81-D84 PolarHBondContact OG-OD2 3Å |
| 82 | E | 88.1 | Confident | 84.5 | Confident | 105 Ų | 105 | 112.4 Ų | 112.4 | 49% | 0.491 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57 | -35.4 | -176.4 | 179.5 | 169.7 | -162.5 | 0 | 0 | 113.6 | K76 G79 | K76-E82 IonicContact NZ-OE1 2.92Å; K76-E82 PolarHBondContact NZ-OE1 2.76Å; G79-E82 WeakPolarHBondContact O-CB 3.34Å; G79-E82 PolarHBondContact O-N 2.91Å; G79-E82 VanDerWaalsContact O-N 3.1Å |
| 83 | R | 86.4 | Confident | 83.8 | Confident | 242 Ų | 242 | 108.9 Ų | 108.9 | 91% | 0.913 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -0.2 | -179.8 | -63.1 | -173.6 | 179.7 | -177.7 | 0.3 | 113.6 | S81 | S81-R83 PolarHBondContact O-N 2.92Š|
| 84 | D | 85.3 | Confident | 83.2 | Confident | 40 Ų | 40 | 107 Ų | 107 | 21% | 0.214 | 59% | 0.589 | C | S | . | * | P | Polyproline II helix | trans | -73.2 | 136.3 | -177.3 | -70.9 | -13.9 | 0 | 0 | 0 | 110.8 | K77 S81 N89 | K77-D84 HydrophobicContact CD-CB 3.78Å; S81-D84 WeakPolarHBondContact CA-OD2 3.45Å; S81-D84 VanDerWaalsContact CB-OD2 3.27Å; S81-D84 WeakPolarHBondContact CB-OD2 3.42Å; S81-D84 WeakPolarHBondContact O-CB 3.36Å; S81-D84 PolarHBondContact O-N 2.8Å; S81-D84 PolarHBondContact OG-OD2 3Å; D84-N89 PolarHBondContact OD1-ND2 2.96Å; D84-N89 PolarHBondContact OD2-ND2 3.36Å |
| 85 | P | 83.2 | Confident | 82.5 | Confident | 98 Ų | 98 | 106.7 Ų | 106.7 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -64 | 158.6 | 176 | 26.9 | -34.1 | 0 | 0 | 0 | 111.8 | K77 G87 | K77-P85 PolarHBondContact NZ-O 3.45Å; P85-G87 PolarHBondContact O-N 3.49Å |
| 86 | P | 80.5 | Confident | 81.5 | Confident | 132 Ų | 132 | 102.5 Ų | 102.5 | 86% | 0.857 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -58.2 | 129.4 | 172.4 | -23.4 | 33.9 | 0 | 0 | 0 | 111.4 | ||
| 87 | G | 77.2 | Confident | 81.1 | Confident | 46 Ų | 46 | 101.5 Ų | 101.5 | 47% | 0.474 | 59% | 0.592 | S | S | . | * | S | Bend | trans | 121.2 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K77 P85 | K77-G87 PolarHBondContact NZ-O 3.07Å; P85-G87 PolarHBondContact O-N 3.49Å |
| 88 | P | 79.4 | Confident | 80.7 | Confident | 84 Ų | 84 | 105 Ų | 105 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | trans | -67.4 | 134.3 | 177.2 | 28.3 | -32.7 | 0 | 0 | 0 | 110 | F58 T93 | F58-P88 HydrophobicContact CE1-CG 4.45Å; P88-T93 HydrophobicContact CB-CG2 4.01Å | ||
| 89 | N | 78.1 | Confident | 80.2 | Confident | 46 Ų | 46 | 102.3 Ų | 102.3 | 25% | 0.246 | 61% | 0.611 | C | S | . | * | trans | -90.2 | 129.1 | 171.4 | -170.3 | -17.3 | 0 | 0 | 0 | 108 | D84 A91 T92 T93 | D84-N89 PolarHBondContact OD1-ND2 2.96Å; D84-N89 PolarHBondContact OD2-ND2 3.36Å; N89-A91 PolarHBondContact O-N 2.86Å; N89-A91 PolarHBondContact OD1-N 2.8Å; N89-T92 PolarHBondContact O-N 3.34Å; N89-T92 PolarHBondContact O-OG1 3.19Å; N89-T93 PolarHBondContact O-N 3.2Å; N89-T93 PolarHBondContact O-OG1 3.49Å | ||
| 90 | V | 72.6 | Confident | 79.8 | Confident | 89 Ų | 89 | 108.9 Ų | 108.9 | 54% | 0.539 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.2 | -23 | -179.4 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | T92 | V90-T92 VanDerWaalsContact C-N 3.31Å; V90-T92 PolarHBondContact O-N 3.49Å |
| 91 | A | 75.7 | Confident | 79.4 | Confident | 86 Ų | 86 | 107 Ų | 107 | 71% | 0.711 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -22.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | N89 | N89-A91 PolarHBondContact O-N 2.86Å; N89-A91 PolarHBondContact OD1-N 2.8Å |
| 92 | T | 72.6 | Confident | 79.1 | Confident | 106 Ų | 106 | 109.1 Ų | 109.1 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | -16 | -171.6 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | N89 V90 | N89-T92 PolarHBondContact O-N 3.34Å; N89-T92 PolarHBondContact O-OG1 3.19Å; V90-T92 VanDerWaalsContact C-N 3.31Å; V90-T92 PolarHBondContact O-N 3.49Å |
| 93 | T | 75.8 | Confident | 78.5 | Confident | 69 Ų | 69 | 112.7 Ų | 112.7 | 42% | 0.423 | 64% | 0.638 | S | S | . | * | trans | -122.3 | 110.4 | -174.6 | -48.9 | 0 | 0 | 0 | 0 | 110 | P88 N89 | P88-T93 HydrophobicContact CB-CG2 4.01Å; N89-T93 PolarHBondContact O-N 3.2Å; N89-T93 PolarHBondContact O-OG1 3.49Å | ||
| 94 | T | 76.3 | Confident | 78.3 | Confident | 118 Ų | 118 | 104.1 Ų | 104.1 | 72% | 0.724 | 61% | 0.609 | S | S | * | * | trans | -81.5 | 142.9 | 164 | 51.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 95 | V | 71.5 | Confident | 77.9 | Confident | 139 Ų | 139 | 107.6 Ų | 107.6 | 84% | 0.842 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -73.8 | -34.4 | -166.6 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | ||
| 96 | S | 68.9 | Low | 77.6 | Confident | 88 Ų | 88 | 105.2 Ų | 105.2 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | trans | 178.6 | 137.2 | 178.3 | 45.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 97 | D | 81.1 | Confident | 76.9 | Confident | 135 Ų | 135 | 107.4 Ų | 107.4 | 72% | 0.722 | 62% | 0.619 | S | S | * | * | trans | -111.3 | 134.2 | 157.3 | -76.9 | -37.8 | 0 | 0 | 0 | 107.6 | V99 | D97-V99 PolarHBondContact O-N 2.8Å; D97-V99 VanDerWaalsContact O-N 3.12Å | ||
| 98 | D | 83.1 | Confident | 76.2 | Confident | 141 Ų | 141 | 111.3 Ų | 111.3 | 75% | 0.754 | 63% | 0.629 | S | S | * | * | trans | -74.2 | 102.7 | 176.1 | -71.9 | -27.9 | 0 | 0 | 0 | 109 | F100 | D98-F100 HydrophobicContact CB-CE2 4.4Š| ||
| 99 | V | 82.6 | Confident | 75.3 | Confident | 115 Ų | 115 | 110.4 Ų | 110.4 | 70% | 0.697 | 62% | 0.619 | S | S | * | * | trans | -98.8 | 110.4 | 175.8 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | D97 M101 | D97-V99 PolarHBondContact O-N 2.8Å; D97-V99 VanDerWaalsContact O-N 3.12Å; V99-M101 HydrophobicContact CG1-CG 4.3Å; V99-M101 PolarHBondContact O-N 2.8Å | ||
| 100 | F | 83.3 | Confident | 74.4 | Confident | 190 Ų | 190 | 112.6 Ų | 112.6 | 83% | 0.833 | 63% | 0.63 | S | S | * | * | trans | -79.1 | 111.7 | 172.6 | -62.3 | -82.1 | 0 | 0 | 0 | 109.4 | D98 | D98-F100 HydrophobicContact CB-CE2 4.4Š| ||
| 101 | M | 78.7 | Confident | 73.7 | Confident | 133 Ų | 133 | 113 Ų | 113 | 66% | 0.655 | 63% | 0.629 | S | S | * | * | trans | -96.2 | 119.1 | 172.3 | -67.1 | -171.5 | -72 | 0 | 0 | 109.5 | V99 F103 | V99-M101 HydrophobicContact CG1-CG 4.3Å; V99-M101 PolarHBondContact O-N 2.8Å; M101-F103 HydrophobicContact CB-CE2 4.06Å; M101-F103 HydrophobicContact CB-CZ 4.06Å; M101-F103 HydrophobicContact CE-CZ 3.89Å; M101-F103 HydrophobicContact SD-CZ 4.43Å | ||
| 102 | T | 79.9 | Confident | 72.9 | Confident | 90 Ų | 90 | 111.3 Ų | 111.3 | 55% | 0.552 | 62% | 0.616 | S | S | * | * | trans | -85.3 | 109.3 | 167.6 | 46.6 | 0 | 0 | 0 | 0 | 108.4 | I104 | T102-I104 PolarHBondContact O-N 2.98Š| ||
| 103 | F | 76.9 | Confident | 72.1 | Confident | 179 Ų | 179 | 111.2 Ų | 111.2 | 79% | 0.785 | 61% | 0.608 | S | S | * | * | trans | -81.4 | 105.2 | 175.5 | -65 | -79.8 | 0 | 0 | 0 | 108.9 | M101 | M101-F103 HydrophobicContact CB-CE2 4.06Å; M101-F103 HydrophobicContact CB-CZ 4.06Å; M101-F103 HydrophobicContact CE-CZ 3.89Å; M101-F103 HydrophobicContact SD-CZ 4.43Å | ||
| 104 | I | 81.9 | Confident | 71.1 | Confident | 62 Ų | 62 | 113.7 Ų | 113.7 | 32% | 0.318 | 62% | 0.619 | S | S | . | * | trans | -89.6 | 119.1 | 179.3 | -68.3 | 168.9 | 0 | 0 | 0 | 108.7 | T102 S106 D109 L110 | T102-I104 PolarHBondContact O-N 2.98Å; I104-S106 WeakPolarHBondContact CG2-O 3.27Å; I104-D109 HydrophobicContact CG1-CB 4.5Å; I104-D109 HydrophobicContact CG2-CB 3.74Å; I104-L110 HydrophobicContact CD1-CD2 3.31Å; I104-L110 HydrophobicContact CD1-CG 3.73Å; I104-L110 HydrophobicContact CG2-CG 4.15Å | ||
| 105 | S | 77.5 | Confident | 70 | Confident | 113 Ų | 113 | 113.4 Ų | 113.4 | 79% | 0.79 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -78.7 | -20.3 | 178.2 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | D109 | S105-D109 PolarHBondContact OG-OD2 3.12Š|
| 106 | S | 75.1 | Confident | 69.1 | Low | 49 Ų | 49 | 115 Ų | 115 | 34% | 0.343 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -145.2 | 138 | -168.2 | -1.5 | 0 | 0 | 0 | 0 | 110.5 | I104 D108 D109 | I104-S106 WeakPolarHBondContact CG2-O 3.27Å; S106-D108 PolarHBondContact O-N 3.4Å; S106-D109 WeakPolarHBondContact CB-OD2 3.34Å; S106-D109 PolarHBondContact N-OD2 3.45Å; S106-D109 PolarHBondContact O-N 3.37Å; S106-D109 PolarHBondContact OG-OD2 2.82Å |
| 107 | K | 66.1 | Low | 68.5 | Low | 177 Ų | 177 | 118.9 Ų | 118.9 | 77% | 0.77 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -57.9 | -19.4 | 178 | -174.2 | 161.9 | -179.6 | 161 | 0 | 113.4 | L110 | K107-L110 HydrophobicContact CG-CD1 4.25Å |
| 108 | D | 62.6 | Low | 67.5 | Low | 129 Ų | 129 | 117.1 Ų | 117.1 | 69% | 0.69 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74.4 | -27 | 175.4 | -62.2 | -41.4 | 0 | 0 | 0 | 113.4 | S106 L110 N111 A112 | S106-D108 PolarHBondContact O-N 3.4Å; D108-L110 VanDerWaalsContact C-N 3.29Å; D108-L110 PolarHBondContact O-N 3.35Å; D108-N111 PolarHBondContact O-N 3.44Å; D108-A112 PolarHBondContact O-N 3.06Å |
| 109 | D | 60.6 | Low | 66.5 | Low | 64 Ų | 64 | 115 Ų | 115 | 34% | 0.342 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -74.4 | -21.9 | 178.1 | -53.7 | -54.5 | 0 | 0 | 0 | 112.1 | I104 S105 S106 N111 A112 Q113 | I104-D109 HydrophobicContact CG1-CB 4.5Å; I104-D109 HydrophobicContact CG2-CB 3.74Å; S105-D109 PolarHBondContact OG-OD2 3.12Å; S106-D109 WeakPolarHBondContact CB-OD2 3.34Å; S106-D109 PolarHBondContact N-OD2 3.45Å; S106-D109 PolarHBondContact O-N 3.37Å; S106-D109 PolarHBondContact OG-OD2 2.82Å; D109-N111 VanDerWaalsContact C-N 3.27Å; D109-N111 PolarHBondContact O-N 2.73Å; D109-A112 PolarHBondContact O-N 3.13Å; D109-Q113 PolarHBondContact O-N 2.88Å |
| 110 | L | 60 | Low | 65.4 | Low | 92 Ų | 92 | 115.7 Ų | 115.7 | 48% | 0.482 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.3 | -38.9 | 169.6 | -73.7 | 162.1 | 0 | 0 | 0 | 111.1 | I104 K107 D108 | I104-L110 HydrophobicContact CD1-CD2 3.31Å; I104-L110 HydrophobicContact CD1-CG 3.73Å; I104-L110 HydrophobicContact CG2-CG 4.15Å; K107-L110 HydrophobicContact CG-CD1 4.25Å; D108-L110 VanDerWaalsContact C-N 3.29Å; D108-L110 PolarHBondContact O-N 3.35Å |
| 111 | N | 57.4 | Low | 64.4 | Low | 97 Ų | 97 | 109.6 Ų | 109.6 | 52% | 0.519 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -81.3 | -16.9 | -179.2 | -92.8 | -38 | 0 | 0 | 0 | 113.4 | D108 D109 Q115 | D108-N111 PolarHBondContact O-N 3.44Å; D109-N111 VanDerWaalsContact C-N 3.27Å; D109-N111 PolarHBondContact O-N 2.73Å; N111-Q115 WeakPolarHBondContact O-CB 3.5Å; N111-Q115 VanDerWaalsContact O-CG 3.27Å; N111-Q115 WeakPolarHBondContact O-CG 3.1Å; N111-Q115 PolarHBondContact O-NE2 2.72Å |
| 112 | A | 60 | Low | 63.5 | Low | 51 Ų | 51 | 112.3 Ų | 112.3 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -80.9 | -38.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | D108 D109 Q115 | D108-A112 PolarHBondContact O-N 3.06Å; D109-A112 PolarHBondContact O-N 3.13Å; A112-Q115 PolarHBondContact O-N 2.9Å |
| 113 | Q | 54.4 | Low | 62.5 | Low | 105 Ų | 105 | 112.3 Ų | 112.3 | 49% | 0.491 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.7 | -37 | 177.5 | -76.7 | -172.7 | -43.9 | 0 | 0 | 112.7 | D109 Q115 | D109-Q113 PolarHBondContact O-N 2.88Å; Q113-Q115 VanDerWaalsContact C-N 3.28Å; Q113-Q115 PolarHBondContact O-N 3.39Å |
| 114 | D | 55.7 | Low | 61.4 | Low | 121 Ų | 121 | 111.9 Ų | 111.9 | 65% | 0.647 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.9 | -20.5 | 176.9 | -73.8 | -19.7 | 0 | 0 | 0 | 113.1 | ||
| 115 | Q | 53.1 | Low | 60.2 | Low | 112 Ų | 112 | 112.5 Ų | 112.5 | 52% | 0.523 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -87.5 | -22.7 | -176 | -86 | 179.2 | 62.5 | 0 | 0 | 115.2 | N111 A112 Q113 | N111-Q115 WeakPolarHBondContact O-CB 3.5Å; N111-Q115 VanDerWaalsContact O-CG 3.27Å; N111-Q115 WeakPolarHBondContact O-CG 3.1Å; N111-Q115 PolarHBondContact O-NE2 2.72Å; A112-Q115 PolarHBondContact O-N 2.9Å; Q113-Q115 VanDerWaalsContact C-N 3.28Å; Q113-Q115 PolarHBondContact O-N 3.39Å |
| 116 | E | 53.1 | Low | 59.3 | Low | 172 Ų | 172 | 113.6 Ų | 113.6 | 80% | 0.804 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -82 | -21.1 | -177.9 | -75.1 | -169.4 | 156.4 | 0 | 0 | 113.4 | ||
| 117 | E | 55.4 | Low | 58.4 | Low | 169 Ų | 169 | 120.4 Ų | 120.4 | 79% | 0.79 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -93.3 | -6.4 | -179 | -71.5 | -79.4 | 140.4 | 0 | 0 | 113.4 | P119 | E117-P119 WeakPolarHBondContact O-CD 3.3Š|
| 118 | D | 61.1 | Low | 58.3 | Low | 98 Ų | 98 | 117.2 Ų | 117.2 | 52% | 0.524 | 60% | 0.604 | S | S | . | * | trans | -83.3 | 108.1 | -176.7 | -112.7 | -24.4 | 0 | 0 | 0 | 111.6 | M120 N121 | D118-M120 PolarHBondContact O-N 3.35Å; D118-N121 PolarHBondContact O-N 3.1Å; D118-N121 VanDerWaalsContact O-N 3.08Å | ||
| 119 | P | 60.8 | Low | 58.3 | Low | 97 Ų | 97 | 114.6 Ų | 114.6 | 63% | 0.63 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -14.4 | -176.4 | 26.6 | -35.3 | 0 | 0 | 0 | 113.1 | E117 | E117-P119 WeakPolarHBondContact O-CD 3.3Š|
| 120 | M | 60 | Low | 58.8 | Low | 130 Ų | 130 | 115.4 Ų | 115.4 | 64% | 0.64 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -21.5 | 179.4 | -156 | 171.6 | -75.6 | 0 | 0 | 113.2 | D118 | D118-M120 PolarHBondContact O-N 3.35Š|
| 121 | N | 61.6 | Low | 59.3 | Low | 61 Ų | 61 | 111.1 Ų | 111.1 | 33% | 0.326 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.4 | -29.2 | 175.6 | -101.7 | -13.9 | 0 | 0 | 0 | 112.7 | D118 L123 K124 | D118-N121 PolarHBondContact O-N 3.1Å; D118-N121 VanDerWaalsContact O-N 3.08Å; N121-L123 PolarHBondContact O-N 3.41Å; N121-K124 PolarHBondContact O-N 3.07Å; N121-K124 WeakPolarHBondContact OD1-CD 3.27Å; N121-K124 VanDerWaalsContact OD1-CE 3.27Å; N121-K124 WeakPolarHBondContact OD1-CE 3.48Å; N121-K124 PolarHBondContact OD1-NZ 3.04Å |
| 122 | K | 59.9 | Low | 60.2 | Low | 191 Ų | 191 | 117.7 Ų | 117.7 | 83% | 0.83 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -17.6 | 173.6 | -81.7 | 173.5 | 179.5 | 163.2 | 0 | 113.5 | ||
| 123 | L | 59 | Low | 60.8 | Low | 90 Ų | 90 | 119.3 Ų | 119.3 | 47% | 0.471 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.6 | -8.3 | 178.2 | -81.1 | 138.9 | 0 | 0 | 0 | 113.8 | N121 G125 Q126 I128 | N121-L123 PolarHBondContact O-N 3.41Å; L123-G125 PolarHBondContact O-N 3.19Å; L123-Q126 PolarHBondContact O-N 3.4Å; L123-I128 HydrophobicContact CD2-CD1 3.73Å |
| 124 | K | 54.1 | Low | 61.7 | Low | 170 Ų | 170 | 116.5 Ų | 116.5 | 74% | 0.739 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 80.2 | 174 | -73.5 | 179.8 | -178.8 | 163.9 | 0 | 110.1 | N121 | N121-K124 PolarHBondContact O-N 3.07Å; N121-K124 WeakPolarHBondContact OD1-CD 3.27Å; N121-K124 VanDerWaalsContact OD1-CE 3.27Å; N121-K124 WeakPolarHBondContact OD1-CE 3.48Å; N121-K124 PolarHBondContact OD1-NZ 3.04Å |
| 125 | G | 56.1 | Low | 62.5 | Low | 75 Ų | 75 | 119.4 Ų | 119.4 | 77% | 0.773 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 163.5 | -17.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L123 | L123-G125 PolarHBondContact O-N 3.19Š|
| 126 | Q | 59.2 | Low | 63.4 | Low | 135 Ų | 135 | 115.2 Ų | 115.2 | 63% | 0.631 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -100.9 | 124.2 | 175.6 | -67.3 | -168.6 | -22.9 | 0 | 0 | 110.9 | L123 I128 | L123-Q126 PolarHBondContact O-N 3.4Å; Q126-I128 HydrophobicContact CB-CD1 3.6Å; Q126-I128 HydrophobicContact CB-CG1 4.03Å; Q126-I128 PolarHBondContact O-N 3.32Å |
| 127 | K | 56.9 | Low | 64.3 | Low | 193 Ų | 193 | 112.9 Ų | 112.9 | 84% | 0.839 | 58% | 0.577 | S | S | * | * | trans | -72.2 | 68.4 | -177.9 | -59.9 | 179.5 | -177.6 | -178.9 | 0 | 111.5 | ||||
| 128 | I | 62.3 | Low | 65.1 | Low | 110 Ų | 110 | 107.1 Ų | 107.1 | 56% | 0.564 | 55% | 0.55 | S | S | * | . | trans | -98.1 | -19.5 | -171.6 | -71 | 163.1 | 0 | 0 | 0 | 112.7 | L123 Q126 | L123-I128 HydrophobicContact CD2-CD1 3.73Å; Q126-I128 HydrophobicContact CB-CD1 3.6Å; Q126-I128 HydrophobicContact CB-CG1 4.03Å; Q126-I128 PolarHBondContact O-N 3.32Å | ||
| 129 | V | 63.2 | Low | 65.6 | Low | 74 Ų | 74 | 109.2 Ų | 109.2 | 45% | 0.448 | 55% | 0.55 | S | S | . | * | trans | -128.5 | 114.7 | -174.8 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 130 | S | 72.1 | Confident | 65.8 | Low | 81 Ų | 81 | 108 Ų | 108 | 57% | 0.566 | 54% | 0.541 | S | S | * | . | trans | -105.8 | 142.3 | 169.7 | 58.4 | 0 | 0 | 0 | 0 | 110.7 | R132 | S130-R132 PolarHBondContact O-N 3.21Š| ||
| 131 | C | 70.3 | Confident | 66.2 | Low | 2 Ų | 2 | 106.7 Ų | 106.7 | 1% | 0.014 | 54% | 0.54 | C | S | . | . | trans | -66.1 | 122.2 | 179.5 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | I133 K135 G136 H138 | C131-I133 PolarHBondContact O-N 3.44Å; C131-K135 WeakPolarHBondContact O-CA 3.33Å; C131-K135 PolarHBondContact O-N 3.27Å; C131-G136 VanDerWaalsContact CB-O 3.28Å; C131-G136 WeakPolarHBondContact CB-O 3.27Å; C131-G136 PolarHBondContact N-O 2.74Å; C131-H138 VanDerWaalsContact CB-O 3.24Å; C131-H138 WeakPolarHBondContact CB-O 3.43Å | ||
| 132 | R | 75.9 | Confident | 66.4 | Low | 235 Ų | 235 | 112.8 Ų | 112.8 | 89% | 0.887 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -24.6 | 177 | -172.8 | 172.8 | 178.6 | 168.6 | -0.6 | 113.3 | S130 | S130-R132 PolarHBondContact O-N 3.21Š|
| 133 | I | 72.3 | Confident | 67.1 | Low | 84 Ų | 84 | 104.1 Ų | 104.1 | 43% | 0.431 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -48.1 | -171.1 | -57.4 | 171 | 0 | 0 | 0 | 111.5 | C131 T140 L149 | C131-I133 PolarHBondContact O-N 3.44Å; I133-T140 HydrophobicContact CD1-CG2 4.12Å; I133-T140 HydrophobicContact CG1-CG2 4.42Å; I133-L149 HydrophobicContact CG2-CD1 3.65Å |
| 134 | C | 72.8 | Confident | 67.9 | Low | 47 Ų | 47 | 104.6 Ų | 104.6 | 32% | 0.318 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | 4.8 | -176.4 | 64.2 | 0 | 0 | 0 | 0 | 114.2 | G136 H138 Y145 | C134-G136 PolarHBondContact O-N 3.32Å; C134-H138 PolarHBondContact SG-CE1 2.8Å; C134-H138 PolarHBondContact SG-NE2 3.45Å; C134-Y145 HydrophobicContact CB-CD2 4.4Å |
| 135 | K | 74.4 | Confident | 68.7 | Low | 182 Ų | 182 | 103.3 Ų | 103.3 | 79% | 0.791 | 52% | 0.522 | S | S | * | . | trans | 56.4 | 16.1 | -178 | -56.1 | -178.5 | -179.3 | -179.9 | 0 | 114.8 | C131 | C131-K135 WeakPolarHBondContact O-CA 3.33Å; C131-K135 PolarHBondContact O-N 3.27Å | ||
| 136 | G | 71.4 | Confident | 69.3 | Low | 23 Ų | 23 | 104.5 Ų | 104.5 | 24% | 0.237 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -85.5 | 164.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C131 C134 H138 | C131-G136 VanDerWaalsContact CB-O 3.28Å; C131-G136 WeakPolarHBondContact CB-O 3.27Å; C131-G136 PolarHBondContact N-O 2.74Å; C134-G136 PolarHBondContact O-N 3.32Å; G136-H138 VanDerWaalsContact C-N 3.31Å; G136-H138 PolarHBondContact O-N 3.41Å |
| 137 | D | 71.9 | Confident | 69.7 | Low | 123 Ų | 123 | 104.6 Ų | 104.6 | 66% | 0.658 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -82 | 67.1 | -176.3 | -62.6 | -29.1 | 0 | 0 | 0 | 112.1 | ||
| 138 | H | 71.6 | Confident | 70.1 | Confident | 48 Ų | 48 | 100.1 Ų | 100.1 | 22% | 0.222 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -154.3 | 158.5 | 174.1 | 53.9 | -92.3 | 0 | 0 | 0 | 112.2 | C131 C134 G136 C143 | C131-H138 VanDerWaalsContact CB-O 3.24Å; C131-H138 WeakPolarHBondContact CB-O 3.43Å; C134-H138 PolarHBondContact SG-CE1 2.8Å; C134-H138 PolarHBondContact SG-NE2 3.45Å; G136-H138 VanDerWaalsContact C-N 3.31Å; G136-H138 PolarHBondContact O-N 3.41Å; H138-C143 WeakPolarHBondContact CD2-CA 3.44Å; H138-C143 VanDerWaalsContact NE2-CA 3.34Å; H138-C143 WeakPolarHBondContact NE2-CA 3.39Å; H138-C143 WeakPolarHBondContact NE2-CB 3.36Å; H138-C143 PolarHBondContact NE2-SG 2.98Å |
| 139 | W | 71.2 | Confident | 70 | Confident | 143 Ų | 143 | 99.2 Ų | 99.2 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | trans | -69.6 | 149.1 | 172.2 | -80 | -56.4 | 0 | 0 | 0 | 111.9 | T141 R142 C143 | W139-T141 PolarHBondContact O-N 2.62Å; W139-R142 CarbonylContact O-C 3.52Å; W139-R142 PolarHBondContact O-N 3.37Å; W139-C143 PolarHBondContact O-N 2.94Å | ||
| 140 | T | 66.6 | Low | 69.8 | Low | 70 Ų | 70 | 97.7 Ų | 97.7 | 43% | 0.429 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -54.6 | -28.7 | -179.7 | 49.3 | 0 | 0 | 0 | 0 | 113.4 | I133 R142 | I133-T140 HydrophobicContact CD1-CG2 4.12Å; I133-T140 HydrophobicContact CG1-CG2 4.42Å; T140-R142 VanDerWaalsContact C-N 3.29Å; T140-R142 PolarHBondContact O-N 3.45Å |
| 141 | T | 67.6 | Low | 69.1 | Low | 103 Ų | 103 | 99 Ų | 99 | 63% | 0.632 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -72.2 | -18.9 | 176.4 | 51.1 | 0 | 0 | 0 | 0 | 114.2 | W139 | W139-T141 PolarHBondContact O-N 2.62Š|
| 142 | R | 66.6 | Low | 68.3 | Low | 190 Ų | 190 | 106 Ų | 106 | 72% | 0.717 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -115 | 18.7 | -178.9 | -60.3 | -175.3 | -175.6 | -175.7 | 0.9 | 112.4 | W139 T140 P144 | W139-R142 CarbonylContact O-C 3.52Å; W139-R142 PolarHBondContact O-N 3.37Å; T140-R142 VanDerWaalsContact C-N 3.29Å; T140-R142 PolarHBondContact O-N 3.45Å; R142-P144 WeakPolarHBondContact O-CD 3.44Å |
| 143 | C | 73.9 | Confident | 67.5 | Low | 9 Ų | 9 | 100.7 Ų | 100.7 | 6% | 0.061 | 52% | 0.521 | C | S | . | . | trans | -71.8 | 124.1 | -179.1 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | H138 W139 Y145 K146 | H138-C143 WeakPolarHBondContact CD2-CA 3.44Å; H138-C143 VanDerWaalsContact NE2-CA 3.34Å; H138-C143 WeakPolarHBondContact NE2-CA 3.39Å; H138-C143 WeakPolarHBondContact NE2-CB 3.36Å; H138-C143 PolarHBondContact NE2-SG 2.98Å; W139-C143 PolarHBondContact O-N 2.94Å; C143-Y145 PolarHBondContact O-N 2.84Å; C143-Y145 VanDerWaalsContact O-N 3.11Å; C143-K146 HydrophobicContact CB-CB 4.25Å; C143-K146 WeakPolarHBondContact O-CB 3.06Å; C143-K146 PolarHBondContact O-N 3.45Å | ||
| 144 | P | 76.3 | Confident | 66.8 | Low | 99 Ų | 99 | 104.1 Ų | 104.1 | 64% | 0.643 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -22.7 | 178.4 | -23 | 32.7 | 0 | 0 | 0 | 113.9 | R142 | R142-P144 WeakPolarHBondContact O-CD 3.44Š|
| 145 | Y | 70.6 | Confident | 66 | Low | 143 Ų | 143 | 108 Ų | 108 | 56% | 0.561 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 14.8 | -178.9 | -57.9 | -69 | 0 | 0 | 0 | 113 | C134 C143 D147 T148 | C134-Y145 HydrophobicContact CB-CD2 4.4Å; C143-Y145 PolarHBondContact O-N 2.84Å; C143-Y145 VanDerWaalsContact O-N 3.11Å; Y145-D147 PolarHBondContact O-N 3.33Å; Y145-T148 WeakPolarHBondContact CA-OG1 2.91Å; Y145-T148 WeakPolarHBondContact CB-OG1 3.34Å; Y145-T148 PolarHBondContact O-N 2.83Å; Y145-T148 PolarHBondContact O-OG1 3.37Å |
| 146 | K | 67.9 | Low | 65.1 | Low | 100 Ų | 100 | 104 Ų | 104 | 44% | 0.435 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -56.3 | -39.4 | -178.6 | -177.1 | -174.1 | 171.7 | -150.6 | 0 | 112.2 | C143 | C143-K146 HydrophobicContact CB-CB 4.25Å; C143-K146 WeakPolarHBondContact O-CB 3.06Å; C143-K146 PolarHBondContact O-N 3.45Å |
| 147 | D | 67.1 | Low | 64.6 | Low | 138 Ų | 138 | 105.5 Ų | 105.5 | 74% | 0.738 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -89.5 | -12.2 | -174.1 | -56.7 | -38.9 | 0 | 0 | 0 | 113.5 | Y145 L149 | Y145-D147 PolarHBondContact O-N 3.33Å; D147-L149 VanDerWaalsContact C-N 3.25Å; D147-L149 PolarHBondContact O-N 3.19Å |
| 148 | T | 66.6 | Low | 64 | Low | 99 Ų | 99 | 107 Ų | 107 | 61% | 0.607 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -79.7 | 1 | -179.2 | 41.7 | 0 | 0 | 0 | 0 | 114.8 | Y145 | Y145-T148 WeakPolarHBondContact CA-OG1 2.91Å; Y145-T148 WeakPolarHBondContact CB-OG1 3.34Å; Y145-T148 PolarHBondContact O-N 2.83Å; Y145-T148 PolarHBondContact O-OG1 3.37Å |
| 149 | L | 59.8 | Low | 63 | Low | 91 Ų | 91 | 112.3 Ų | 112.3 | 48% | 0.476 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -124.2 | 35.2 | -173.4 | -62 | 172.5 | 0 | 0 | 0 | 112.9 | I133 D147 P151 M152 | I133-L149 HydrophobicContact CG2-CD1 3.65Å; D147-L149 VanDerWaalsContact C-N 3.25Å; D147-L149 PolarHBondContact O-N 3.19Å; L149-P151 VanDerWaalsContact C-N 3.27Å; L149-P151 WeakPolarHBondContact O-CD 3.47Å; L149-M152 PolarHBondContact O-N 3.08Å |
| 150 | G | 59.5 | Low | 62 | Low | 42 Ų | 42 | 111 Ų | 111 | 43% | 0.433 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -45.2 | -32 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | M152 Q153 | G150-M152 VanDerWaalsContact C-N 3.32Å; G150-M152 PolarHBondContact O-N 3.45Å; G150-Q153 PolarHBondContact O-N 2.97Å |
| 151 | P | 56.1 | Low | 61.1 | Low | 109 Ų | 109 | 110.9 Ų | 110.9 | 71% | 0.708 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.9 | -29 | -178.7 | -23 | 33.4 | 0 | 0 | 0 | 115 | L149 | L149-P151 VanDerWaalsContact C-N 3.27Å; L149-P151 WeakPolarHBondContact O-CD 3.47Å |
| 152 | M | 55 | Low | 60 | Low | 147 Ų | 147 | 112.9 Ų | 112.9 | 72% | 0.724 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -79.7 | -24.1 | 179.4 | -87.4 | -171.1 | -178.9 | 0 | 0 | 113.4 | L149 G150 L156 | L149-M152 PolarHBondContact O-N 3.08Å; G150-M152 VanDerWaalsContact C-N 3.32Å; G150-M152 PolarHBondContact O-N 3.45Å; M152-L156 PolarHBondContact O-N 3.42Å |
| 153 | Q | 57.8 | Low | 58.5 | Low | 124 Ų | 124 | 109.3 Ų | 109.3 | 58% | 0.579 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -79 | -28.5 | -175.2 | -149.8 | 158.7 | 6.1 | 0 | 0 | 111.8 | G150 A157 | G150-Q153 PolarHBondContact O-N 2.97Å; Q153-A157 WeakPolarHBondContact O-CB 3.46Å; Q153-A157 PolarHBondContact O-N 3.41Å |
| 154 | K | 57.4 | Low | 56.8 | Low | 156 Ų | 156 | 115.1 Ų | 115.1 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.2 | -39.8 | 173.8 | -159.8 | 174.7 | -176.1 | -179.5 | 0 | 111.8 | A157 E158 | K154-A157 PolarHBondContact O-N 3.41Å; K154-E158 PolarHBondContact O-N 3.22Å; K154-E158 VanDerWaalsContact O-N 3.09Å |
| 155 | E | 57.3 | Low | 54.7 | Low | 128 Ų | 128 | 114 Ų | 114 | 60% | 0.598 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.4 | -37.5 | 178.6 | -152.1 | 173.6 | -164.4 | 0 | 0 | 111.9 | Q159 | E155-Q159 PolarHBondContact O-N 2.93Å |
| 156 | L | 55.3 | Low | 52.9 | Low | 98 Ų | 98 | 114.6 Ų | 114.6 | 51% | 0.513 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -71.9 | -31.8 | 174.6 | -169.8 | 65.4 | 0 | 0 | 0 | 112.7 | M152 L160 | M152-L156 PolarHBondContact O-N 3.42Å; L156-L160 HydrophobicContact CD1-CD1 4.24Å; L156-L160 HydrophobicContact CG-CD1 4.03Å; L156-L160 WeakPolarHBondContact O-CB 3.14Å; L156-L160 WeakPolarHBondContact O-CG 3.29Å; L156-L160 PolarHBondContact O-N 3.27Å |
| 157 | A | 60 | Low | 51.2 | Low | 56 Ų | 56 | 119.6 Ų | 119.6 | 46% | 0.463 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -70.4 | -37.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q153 K154 L160 G161 | Q153-A157 WeakPolarHBondContact O-CB 3.46Å; Q153-A157 PolarHBondContact O-N 3.41Å; K154-A157 PolarHBondContact O-N 3.41Å; A157-L160 PolarHBondContact O-N 3.4Å; A157-G161 PolarHBondContact O-N 3.2Å |
| 158 | E | 60.3 | Low | 49.5 | Very low | 153 Ų | 153 | 122.1 Ų | 122.1 | 72% | 0.715 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -66.7 | -39.1 | 173 | -87.9 | 179.8 | 153.5 | 0 | 0 | 112.5 | K154 L160 | K154-E158 PolarHBondContact O-N 3.22Å; K154-E158 VanDerWaalsContact O-N 3.09Å; E158-L160 VanDerWaalsContact C-N 3.28Å; E158-L160 PolarHBondContact O-N 3.18Å |
| 159 | Q | 50.4 | Low | 47.6 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -68.6 | -24.4 | 177 | -81.8 | -173.7 | -20.6 | 0 | 0 | 114.2 | E155 | E155-Q159 PolarHBondContact O-N 2.93Å |
| 160 | L | 50 | Low | 46 | Very low | 115 Ų | 115 | 128 Ų | 128 | 60% | 0.602 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 0.1 | -176.7 | -67.5 | 173.8 | 0 | 0 | 0 | 114 | L156 A157 E158 L162 | L156-L160 HydrophobicContact CD1-CD1 4.24Å; L156-L160 HydrophobicContact CG-CD1 4.03Å; L156-L160 WeakPolarHBondContact O-CB 3.14Å; L156-L160 WeakPolarHBondContact O-CG 3.29Å; L156-L160 PolarHBondContact O-N 3.27Å; A157-L160 PolarHBondContact O-N 3.4Å; E158-L160 VanDerWaalsContact C-N 3.28Å; E158-L160 PolarHBondContact O-N 3.18Å; L160-L162 VanDerWaalsContact C-N 3.28Å; L160-L162 WeakPolarHBondContact O-CD1 3.41Å; L160-L162 PolarHBondContact O-N 3.35Å; L160-L162 VanDerWaalsContact O-N 3.17Å |
| 161 | G | 47.7 | Very low | 45 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.1 | 27.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | A157 S163 | A157-G161 PolarHBondContact O-N 3.2Å; G161-S163 PolarHBondContact O-N 3.47Å |
| 162 | L | 44.1 | Very low | 43.5 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | -86 | 111 | 176.1 | -96.9 | 75.4 | 0 | 0 | 0 | 110.8 | L160 T164 | L160-L162 VanDerWaalsContact C-N 3.28Å; L160-L162 WeakPolarHBondContact O-CD1 3.41Å; L160-L162 PolarHBondContact O-N 3.35Å; L160-L162 VanDerWaalsContact O-N 3.17Å; L162-T164 PolarHBondContact O-N 2.95Å | ||
| 163 | S | 34.7 | Very low | 42.3 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | trans | -67.6 | 116.4 | 173.1 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | G161 G165 | G161-S163 PolarHBondContact O-N 3.47Å; S163-G165 PolarHBondContact O-N 3.04Å | ||
| 164 | T | 38.1 | Very low | 40.9 | Very low | 130 Ų | 130 | 128 Ų | 128 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | trans | -77.2 | 101.9 | 163.5 | 48.2 | 0 | 0 | 0 | 0 | 108.8 | L162 D166 | L162-T164 PolarHBondContact O-N 2.95Å; T164-D166 PolarHBondContact O-N 3.49Å | ||
| 165 | G | 33.5 | Very low | 39.7 | Very low | 76 Ų | 76 | 129.6 Ų | 129.6 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | -76.6 | 113.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S163 | S163-G165 PolarHBondContact O-N 3.04Š| ||
| 166 | D | 33.1 | Very low | 38.8 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -54.5 | 138.6 | 171.6 | -69.9 | -82.8 | 0 | 0 | 0 | 112.6 | T164 | T164-D166 PolarHBondContact O-N 3.49Š| ||
| 167 | K | 31.3 | Very low | 37.8 | Very low | 206 Ų | 206 | 133.4 Ų | 133.4 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -126.5 | 105.5 | 159.3 | -150.5 | 175.8 | -173.2 | 177.8 | 0 | 108.7 | ||||
| 168 | E | 30.3 | Very low | 36.7 | Very low | 190 Ų | 190 | 136.8 Ų | 136.8 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -56.9 | 134.2 | 175.9 | -59.9 | -178.6 | 130.2 | 0 | 0 | 111.7 | ||||
| 169 | K | 28.1 | Very low | 35.5 | Very low | 205 Ų | 205 | 136.3 Ų | 136.3 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | trans | -138.9 | 123.5 | 153.6 | -169 | 175.5 | -177 | -178.1 | 0 | 107.9 | ||||
| 170 | S | 26.3 | Very low | 35.2 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -125.6 | 166.7 | 173.8 | -130.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 171 | P | 38.6 | Very low | 34.7 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | -127.5 | 171.6 | -95 | 33.3 | -15.6 | 0 | 0 | 0 | 112.8 | |||||
| 172 | G | 25.2 | Very low | 33.9 | Very low | 73 Ų | 73 | 139.4 Ų | 139.4 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | 161.3 | 92.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 173 | S | 28.7 | Very low | 33.5 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | 174.5 | 115 | 127.3 | 55.5 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 174 | A | 28.7 | Very low | 33.4 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -68.8 | 134.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 175 | E | 31.8 | Very low | 33.4 | Very low | 190 Ų | 190 | 143.6 Ų | 143.6 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | -113.7 | 135.2 | 154.2 | -84.9 | -176.4 | 128.9 | 0 | 0 | 108.1 | ||||
| 176 | P | 38.3 | Very low | 33.7 | Very low | 125 Ų | 125 | 147 Ų | 147 | 81% | 0.812 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 159.5 | 170.6 | 34.5 | -30.1 | 0 | 0 | 0 | 112.5 | ||
| 177 | E | 35.4 | Very low | 34.2 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 85% | 0.846 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 159.2 | -169.7 | -63.2 | -158.3 | 141.9 | 0 | 0 | 118.3 | ||
| 178 | P | 37.1 | Very low | 34.9 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 127.4 | 176.9 | 33.6 | -31.5 | 0 | 0 | 0 | 112.8 | ||
| 179 | V | 34.4 | Very low | 36.4 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 130.6 | 167.7 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | ||
| 180 | Q | 43.5 | Very low | 37.8 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 157.1 | 175.8 | -55.5 | 168.2 | 23 | 0 | 0 | 112.5 | ||
| 181 | P | 39.6 | Very low | 39.1 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -118.8 | 130.5 | 148.3 | 29.5 | -15.6 | 0 | 0 | 0 | 112.5 | ||||
| 182 | A | 32.1 | Very low | 39.9 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -68.3 | 149.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 183 | Q | 34.6 | Very low | 41.5 | Very low | 193 Ų | 193 | 137.7 Ų | 137.7 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -74.5 | 142.3 | 168.2 | -64.2 | 172.3 | -11.1 | 0 | 0 | 110.7 | ||||
| 184 | A | 33.7 | Very low | 43 | Very low | 85 Ų | 85 | 138.6 Ų | 138.6 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | 166.8 | 149.4 | 111 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 185 | K | 36.5 | Very low | 45.1 | Very low | 201 Ų | 201 | 143.8 Ų | 143.8 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | 108 | 117.9 | 147.5 | -53.7 | -167.8 | -175.5 | 175.5 | 0 | 119 | ||||
| 186 | T | 40.1 | Very low | 45.9 | Very low | 147 Ų | 147 | 143 Ų | 143 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -41.6 | 126.8 | 167.7 | 53.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 187 | G | 43.5 | Very low | 46.6 | Very low | 76 Ų | 76 | 140.2 Ų | 140.2 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -131.8 | 138.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 188 | K | 46.1 | Very low | 47.2 | Very low | 207 Ų | 207 | 135 Ų | 135 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | trans | -72.3 | 137.4 | -175.1 | -65.2 | 156.4 | -179.2 | -172.8 | 0 | 110.3 | ||||
| 189 | Y | 61.4 | Low | 48 | Very low | 196 Ų | 196 | 135.1 Ų | 135.1 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -67.5 | 127.6 | -177.3 | 177.9 | -100.5 | 0 | 0 | 0 | 112.3 | ||||
| 190 | V | 58.1 | Low | 48.8 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | trans | -105.5 | 125.5 | 174.6 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | L194 | V190-L194 HydrophobicContact CG1-CB 4.14Š| ||
| 191 | P | 53 | Low | 49 | Very low | 72 Ų | 72 | 143 Ų | 143 | 47% | 0.468 | 79% | 0.789 | S | S | . | * | trans | -67.1 | 150.8 | -174.8 | 24.4 | -32.8 | 0 | 0 | 0 | 113.1 | S193 L194 | P191-S193 PolarHBondContact O-N 3.31Å; P191-L194 PolarHBondContact O-N 3.17Å | ||
| 192 | P | 56.9 | Low | 49.5 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -55.6 | -15.6 | -171.1 | -29 | 35.7 | 0 | 0 | 0 | 117.2 | ||
| 193 | S | 57.9 | Low | 50.2 | Low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -79.3 | -14 | -178.8 | -168.3 | 0 | 0 | 0 | 0 | 114.7 | P191 | P191-S193 PolarHBondContact O-N 3.31Š|
| 194 | L | 61.3 | Low | 50.9 | Low | 138 Ų | 138 | 139.7 Ų | 139.7 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -109.7 | 13.4 | -178.5 | -96.1 | 80.5 | 0 | 0 | 0 | 113.4 | V190 P191 D196 | V190-L194 HydrophobicContact CG1-CB 4.14Å; P191-L194 PolarHBondContact O-N 3.17Å; L194-D196 PolarHBondContact O-N 2.82Å |
| 195 | R | 72.2 | Confident | 51.5 | Low | 213 Ų | 213 | 143.7 Ų | 143.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -83.8 | 114 | 173.8 | -164.3 | 169.4 | -174.4 | 176.9 | 0.7 | 109.5 | G197 G198 | R195-G197 PolarHBondContact O-N 3.19Å; R195-G198 PolarHBondContact O-N 3.39Å |
| 196 | D | 47.6 | Very low | 52.5 | Low | 172 Ų | 172 | 140.1 Ų | 140.1 | 92% | 0.92 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.9 | 118.4 | 171.1 | -120.3 | -60.7 | 0 | 0 | 0 | 109.8 | L194 | L194-D196 PolarHBondContact O-N 2.82Š|
| 197 | G | 53.7 | Low | 52.8 | Low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 122.4 | -2.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R195 T199 | R195-G197 PolarHBondContact O-N 3.19Å; G197-T199 VanDerWaalsContact C-N 3.26Å; G197-T199 PolarHBondContact O-N 3.29Å |
| 198 | G | 48.5 | Very low | 53 | Low | 72 Ų | 72 | 139.9 Ų | 139.9 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | -75.1 | 54.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | R195 | R195-G198 PolarHBondContact O-N 3.39Š| ||
| 199 | T | 54 | Low | 53.4 | Low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | -139.2 | 71.5 | 167.6 | 37.8 | 0 | 0 | 0 | 0 | 111.4 | G197 | G197-T199 VanDerWaalsContact C-N 3.26Å; G197-T199 PolarHBondContact O-N 3.29Å | ||
| 200 | R | 50.7 | Low | 53 | Low | 235 Ų | 235 | 139.9 Ų | 139.9 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | trans | -133.1 | 69.4 | 148 | -64 | -165 | -166.4 | -160.8 | 6.1 | 109.5 | ||||
| 201 | R | 46.9 | Very low | 52.7 | Low | 254 Ų | 254 | 137.8 Ų | 137.8 | 96% | 0.958 | 73% | 0.734 | S | S | * | * | trans | -78.8 | 117.3 | 159.7 | 179 | 175.5 | -177.5 | 152 | -0.1 | 106.9 | ||||
| 202 | G | 51.4 | Low | 52.9 | Low | 67 Ų | 67 | 137 Ų | 137 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | trans | 95 | 70 | 158.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 203 | E | 45.2 | Very low | 53.2 | Low | 182 Ų | 182 | 135.5 Ų | 135.5 | 85% | 0.85 | 71% | 0.712 | S | S | * | * | trans | -107.9 | 74.4 | 145.6 | -109.7 | 166.8 | 118.8 | 0 | 0 | 108.3 | M205 | E203-M205 VanDerWaalsContact C-N 3.34Å; E203-M205 PolarHBondContact O-N 3.39Å | ||
| 204 | S | 51.2 | Low | 53.9 | Low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | trans | -65.9 | 99 | 148.4 | 50.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 205 | M | 44.8 | Very low | 55.1 | Low | 169 Ų | 169 | 129.3 Ų | 129.3 | 83% | 0.833 | 67% | 0.672 | S | S | * | * | trans | -170.5 | 114.9 | 140.3 | -109.4 | -179.4 | -89.2 | 0 | 0 | 110 | E203 P207 | E203-M205 VanDerWaalsContact C-N 3.34Å; E203-M205 PolarHBondContact O-N 3.39Å; M205-P207 WeakPolarHBondContact O-CD 3.4Å | ||
| 206 | Q | 57.1 | Low | 56 | Low | 126 Ų | 126 | 120 Ų | 120 | 59% | 0.589 | 64% | 0.639 | S | S | * | * | trans | -54.7 | 127.9 | 154.7 | -66.6 | 161.8 | -1.8 | 0 | 0 | 108.9 | ||||
| 207 | P | 46.4 | Very low | 58.1 | Low | 111 Ų | 111 | 111.8 Ų | 111.8 | 72% | 0.721 | 60% | 0.595 | S | S | * | * | trans | -124.3 | 84 | 157.3 | 31.5 | -10.9 | 0 | 0 | 0 | 106.8 | M205 | M205-P207 WeakPolarHBondContact O-CD 3.4Š| ||
| 208 | N | 49.2 | Very low | 60.1 | Low | 107 Ų | 107 | 112.8 Ų | 112.8 | 57% | 0.572 | 58% | 0.578 | S | S | * | * | trans | 174.4 | -7.6 | 152.4 | -101.3 | 13.4 | 0 | 0 | 0 | 116.5 | R210 A211 D212 | N208-R210 PolarHBondContact O-N 3.37Å; N208-A211 PolarHBondContact O-N 3.31Å; N208-D212 PolarHBondContact O-N 3.48Å | ||
| 209 | R | 54.3 | Low | 62.2 | Low | 171 Ų | 171 | 109.3 Ų | 109.3 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -15.4 | -176.7 | -68 | -167.9 | -177.2 | 178.9 | 3.4 | 115.3 | ||
| 210 | R | 51.7 | Low | 64.1 | Low | 232 Ų | 232 | 104.5 Ų | 104.5 | 88% | 0.875 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -17.6 | 175.1 | -63.5 | -156.1 | -179.8 | -161.8 | 0.7 | 114.7 | N208 | N208-R210 PolarHBondContact O-N 3.37Š|
| 211 | A | 52.1 | Low | 66.1 | Low | 57 Ų | 57 | 97.2 Ų | 97.2 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -32.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | N208 D213 N214 | N208-A211 PolarHBondContact O-N 3.31Å; A211-D213 VanDerWaalsContact C-N 3.28Å; A211-D213 PolarHBondContact O-N 3.41Å; A211-N214 PolarHBondContact O-N 3.39Å |
| 212 | D | 57.4 | Low | 68.3 | Low | 56 Ų | 56 | 85.5 Ų | 85.5 | 30% | 0.299 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -69 | -22.6 | -177.1 | -60.7 | -39 | 0 | 0 | 0 | 113.4 | N208 N214 T216 S262 | N208-D212 PolarHBondContact O-N 3.48Å; D212-N214 PolarHBondContact O-N 2.87Å; D212-T216 PolarHBondContact O-OG1 3.44Å; D212-S262 PolarHBondContact O-OG 2.92Å; D212-S262 VanDerWaalsContact O-OG 3.05Å |
| 213 | D | 63.8 | Low | 70.1 | Confident | 74 Ų | 74 | 83 Ų | 83 | 40% | 0.396 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -71.8 | -28.2 | -179.3 | -81.5 | -10.5 | 0 | 0 | 0 | 112.8 | A211 A215 T216 | A211-D213 VanDerWaalsContact C-N 3.28Å; A211-D213 PolarHBondContact O-N 3.41Å; D213-A215 VanDerWaalsContact C-N 3.26Å; D213-A215 PolarHBondContact O-N 2.8Å; D213-T216 PolarHBondContact O-N 2.97Å |
| 214 | N | 71.6 | Confident | 72.2 | Confident | 112 Ų | 112 | 79.9 Ų | 79.9 | 60% | 0.599 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -73.7 | -14.3 | -177.2 | -88.9 | 3.8 | 0 | 0 | 0 | 114.2 | A211 D212 R266 | A211-N214 PolarHBondContact O-N 3.39Å; D212-N214 PolarHBondContact O-N 2.87Å; N214-R266 WeakPolarHBondContact O-CD 3.48Å |
| 215 | A | 86.9 | Confident | 73.9 | Confident | 8 Ų | 8 | 81 Ų | 81 | 7% | 0.066 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -119.6 | 23.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D213 F263 R266 | D213-A215 VanDerWaalsContact C-N 3.26Å; D213-A215 PolarHBondContact O-N 2.8Å; A215-F263 HydrophobicContact CB-CB 4.49Å; A215-F263 VanDerWaalsContact CB-O 3.29Å; A215-F263 WeakPolarHBondContact CB-O 3.09Å; A215-F263 PolarHBondContact O-N 3.32Å; A215-R266 HydrophobicContact CB-CB 4.16Å |
| 216 | T | 90.6 | Very high | 76 | Confident | 17 Ų | 17 | 73.1 Ų | 73.1 | 10% | 0.104 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129.5 | -179.8 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | D212 D213 F260 I261 S262 A291 | D212-T216 PolarHBondContact O-OG1 3.44Å; D213-T216 PolarHBondContact O-N 2.97Å; T216-F260 HydrophobicContact CG2-CB 4.3Å; T216-F260 HydrophobicContact CG2-CD1 4.41Å; T216-I261 CarbonylContact C-O 3.54Å; T216-I261 WeakPolarHBondContact CA-O 3.49Å; T216-S262 WeakPolarHBondContact OG1-CB 3.41Å; T216-S262 PolarHBondContact OG1-OG 3.49Å; T216-A291 HydrophobicContact CG2-CB 3.66Å; T216-A291 WeakPolarHBondContact O-CB 3.21Å; T216-A291 PolarHBondContact O-N 3.45Å |
| 217 | I | 93.3 | Very high | 77.6 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 147.7 | 173.2 | 65.3 | 165.6 | 0 | 0 | 0 | 110.1 | V219 F235 F260 I261 F263 A269 A272 I273 V288 E289 W290 | I217-V219 HydrophobicContact CD1-CG2 4.16Å; I217-F235 HydrophobicContact CD1-CD1 4.06Å; I217-F235 HydrophobicContact CD1-CE1 3.57Å; I217-F235 HydrophobicContact CD1-CZ 4.05Å; I217-F260 WeakPolarHBondContact O-CA 3.23Å; I217-I261 HydrophobicContact CD1-CB 4.21Å; I217-I261 HydrophobicContact CG1-CB 3.77Å; I217-I261 WeakPolarHBondContact CG1-O 3.5Å; I217-I261 PolarHBondContact N-O 3.02Å; I217-I261 PolarHBondContact O-N 2.8Å; I217-F263 HydrophobicContact CD1-CD2 4.49Å; I217-F263 HydrophobicContact CD1-CE2 3.64Å; I217-F263 HydrophobicContact CD1-CZ 4.49Å; I217-F263 HydrophobicContact CG1-CD2 4.42Å; I217-F263 HydrophobicContact CG1-CE2 3.99Å; I217-A269 HydrophobicContact CG2-CB 3.7Å; I217-A272 HydrophobicContact CD1-CB 4.41Å; I217-I273 HydrophobicContact CG2-CD1 3.87Å; I217-I273 HydrophobicContact CG2-CG1 3.95Å; I217-V288 HydrophobicContact CB-CG1 4.19Å; I217-V288 HydrophobicContact CD1-CG1 3.74Å; I217-V288 HydrophobicContact CG1-CG1 4.45Å; I217-E289 CarbonylContact C-O 3.58Å; I217-E289 WeakPolarHBondContact CA-O 3.47Å; I217-W290 HydrophobicContact CG2-CE3 4.41Å; I217-W290 HydrophobicContact CG2-CZ3 4.38Å |
| 218 | R | 94.1 | Very high | 79.7 | Confident | 88 Ų | 88 | 74 Ų | 74 | 33% | 0.332 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.1 | 170.7 | -173.7 | -179.3 | 73.4 | 153.6 | 1.9 | 108.6 | T220 A259 F260 E289 A291 | R218-T220 HydrophobicContact CG-CG2 4.14Å; R218-A259 WeakPolarHBondContact CA-O 3.24Å; R218-F260 HydrophobicContact CB-CD1 4.11Å; R218-F260 HydrophobicContact CB-CE1 3.93Å; R218-F260 HydrophobicContact CG-CD1 4.18Å; R218-F260 HydrophobicContact CG-CE1 3.74Å; R218-F260 HydrophobicContact CG-CZ 4.07Å; R218-E289 IonicContact CZ-OE2 2.74Å; R218-E289 PolarHBondContact N-O 2.84Å; R218-E289 IonicContact NH2-OE2 3.38Å; R218-E289 PolarHBondContact NH2-OE2 3.47Å; R218-E289 PolarHBondContact O-N 2.87Å; R218-A291 HydrophobicContact CB-CB 4.33Å |
| 219 | V | 93.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131.4 | 172.8 | -171.7 | 0 | 0 | 0 | 0 | 108.1 | I217 L222 F235 F258 A259 I261 V288 | I217-V219 HydrophobicContact CD1-CG2 4.16Å; V219-L222 HydrophobicContact CB-CD1 4.3Å; V219-L222 HydrophobicContact CG1-CD1 4.12Å; V219-L222 HydrophobicContact CG1-CD2 3.76Å; V219-L222 HydrophobicContact CG1-CG 3.91Å; V219-F235 HydrophobicContact CG2-CE2 3.91Å; V219-F235 HydrophobicContact CG2-CZ 3.6Å; V219-F258 CarbonylContact O-C 3.59Å; V219-F258 VanDerWaalsContact O-CA 3.24Å; V219-F258 WeakPolarHBondContact O-CA 3.35Å; V219-A259 PolarHBondContact N-O 3.25Å; V219-A259 PolarHBondContact O-N 2.93Å; V219-I261 HydrophobicContact CG2-CD1 3.99Å; V219-V288 HydrophobicContact CG1-CG2 4.32Å; V219-V288 HydrophobicContact CG2-CG1 4.29Å; V219-V288 HydrophobicContact CG2-CG2 4.37Å |
| 220 | T | 93.6 | Very high | 83.6 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 17% | 0.166 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 159.9 | -179.7 | 56.7 | 0 | 0 | 0 | 0 | 110.6 | R218 N287 | R218-T220 HydrophobicContact CG-CG2 4.14Å; T220-N287 PolarHBondContact N-O 3.33Å; T220-N287 PolarHBondContact O-N 3.18Å; T220-N287 VanDerWaalsContact O-N 3.1Å; T220-N287 WeakPolarHBondContact OG1-CB 3.49Å; T220-N287 PolarHBondContact OG1-O 3.47Å |
| 221 | N | 92.9 | Very high | 85.5 | Confident | 82 Ų | 82 | 55.5 Ų | 55.5 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 66.3 | 38.5 | -177.5 | -155.2 | 41.4 | 0 | 0 | 0 | 112.9 | G257 L284 I285 L286 | N221-G257 PolarHBondContact N-O 2.89Å; N221-L284 WeakPolarHBondContact O-CD2 3.46Å; N221-I285 PolarHBondContact ND2-O 3.02Å; N221-L286 WeakPolarHBondContact O-CD2 3.35Å |
| 222 | L | 92.3 | Very high | 87.4 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | trans | -77.9 | 149.6 | 172.8 | -69.1 | 170 | 0 | 0 | 0 | 111.1 | V219 T226 L231 L246 G257 A259 L286 | V219-L222 HydrophobicContact CB-CD1 4.3Å; V219-L222 HydrophobicContact CG1-CD1 4.12Å; V219-L222 HydrophobicContact CG1-CD2 3.76Å; V219-L222 HydrophobicContact CG1-CG 3.91Å; L222-T226 HydrophobicContact CD2-CG2 4.24Å; L222-L231 HydrophobicContact CD1-CD1 4.27Å; L222-L231 HydrophobicContact CD1-CD2 4.11Å; L222-L231 HydrophobicContact CD2-CD2 3.77Å; L222-L246 HydrophobicContact CD1-CD1 4.33Å; L222-G257 PolarHBondContact N-O 3.18Å; L222-G257 VanDerWaalsContact N-O 3.14Å; L222-G257 WeakPolarHBondContact O-CA 3.37Å; L222-A259 HydrophobicContact CD1-CB 3.52Å; L222-L286 HydrophobicContact CD2-CD1 4.39Å; L222-L286 HydrophobicContact CD2-CD2 3.68Å; L222-L286 HydrophobicContact CG-CD2 4.47Å | ||
| 223 | S | 90.6 | Very high | 89.1 | Confident | 16 Ų | 16 | 62 Ų | 62 | 11% | 0.112 | 31% | 0.305 | C | S | . | . | trans | -68.4 | 155.8 | 173.5 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | D225 T226 | S223-D225 PolarHBondContact O-N 2.92Å; S223-T226 WeakPolarHBondContact CB-OG1 3.3Å; S223-T226 PolarHBondContact N-OG1 3.48Å; S223-T226 WeakPolarHBondContact O-CB 3.46Å; S223-T226 PolarHBondContact O-N 3.14Å; S223-T226 PolarHBondContact O-OG1 3.45Å | ||
| 224 | E | 88 | Confident | 90.5 | Very high | 115 Ų | 115 | 60.1 Ų | 60.1 | 54% | 0.537 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -30.4 | 175.6 | -66.6 | -178.7 | -166.6 | 0 | 0 | 111.7 | T226 Q254 S255 | E224-T226 VanDerWaalsContact C-N 3.33Å; E224-Q254 PolarHBondContact OE2-NE2 3.42Å; E224-S255 PolarHBondContact O-OG 3.14Å |
| 225 | D | 87.5 | Confident | 91.5 | Very high | 127 Ų | 127 | 54.8 Ų | 54.8 | 68% | 0.679 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -13 | -179.7 | -69.9 | -37.9 | 0 | 0 | 0 | 113.6 | S223 R227 | S223-D225 PolarHBondContact O-N 2.92Å; D225-R227 PolarHBondContact O-N 3.47Å |
| 226 | T | 89.1 | Confident | 91.7 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | trans | -66.2 | 129.7 | -176.4 | -52.2 | 0 | 0 | 0 | 0 | 111.4 | L222 S223 E224 D230 L231 L246 S255 Y281 | L222-T226 HydrophobicContact CD2-CG2 4.24Å; S223-T226 WeakPolarHBondContact CB-OG1 3.3Å; S223-T226 PolarHBondContact N-OG1 3.48Å; S223-T226 WeakPolarHBondContact O-CB 3.46Å; S223-T226 PolarHBondContact O-N 3.14Å; S223-T226 PolarHBondContact O-OG1 3.45Å; E224-T226 VanDerWaalsContact C-N 3.33Å; T226-D230 HydrophobicContact CG2-CB 4.36Å; T226-L231 HydrophobicContact CG2-CD2 4.03Å; T226-L231 HydrophobicContact CG2-CG 3.97Å; T226-L246 VanDerWaalsContact O-CD2 3.3Å; T226-L246 WeakPolarHBondContact O-CD2 3.48Å; T226-S255 PolarHBondContact O-OG 2.79Å; T226-Y281 HydrophobicContact CG2-CE1 4.35Å | ||
| 227 | R | 91.1 | Very high | 91.8 | Very high | 170 Ų | 170 | 67.5 Ų | 67.5 | 64% | 0.642 | 32% | 0.324 | S | S | * | . | trans | -109.5 | 167.8 | 178.2 | -56.4 | -176.9 | -178.4 | -176.8 | -0.6 | 111.8 | D225 T229 D230 L231 | D225-R227 PolarHBondContact O-N 3.47Å; R227-T229 PolarHBondContact O-N 2.92Å; R227-D230 WeakPolarHBondContact CB-OD2 3.47Å; R227-D230 PolarHBondContact N-OD2 3.22Å; R227-D230 PolarHBondContact O-N 3.34Å; R227-L231 PolarHBondContact O-N 3.07Å | ||
| 228 | E | 90.6 | Very high | 91.7 | Very high | 85 Ų | 85 | 69.9 Ų | 69.9 | 40% | 0.397 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -32 | 176.6 | -68.5 | 179.5 | 162.5 | 0 | 0 | 112.4 | D230 Q232 I244 L246 | E228-D230 VanDerWaalsContact C-N 3.33Å; E228-Q232 WeakPolarHBondContact O-CB 3.25Å; E228-Q232 PolarHBondContact O-N 2.78Å; E228-I244 HydrophobicContact CB-CG2 4.23Å; E228-I244 HydrophobicContact CG-CG2 4Å; E228-L246 HydrophobicContact CG-CB 3.69Å; E228-L246 HydrophobicContact CG-CD2 4.16Å |
| 229 | T | 92.4 | Very high | 91.5 | Very high | 78 Ų | 78 | 66.5 Ų | 66.5 | 48% | 0.479 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 174.6 | 47.9 | 0 | 0 | 0 | 0 | 111.9 | R227 Q232 E233 | R227-T229 PolarHBondContact O-N 2.92Å; T229-Q232 WeakPolarHBondContact O-CB 3.35Å; T229-Q232 PolarHBondContact O-N 3.19Å; T229-Q232 VanDerWaalsContact O-N 3.17Å; T229-E233 PolarHBondContact O-N 3.17Å |
| 230 | D | 91.8 | Very high | 91.3 | Very high | 42 Ų | 42 | 70.1 Ų | 70.1 | 23% | 0.225 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73.6 | -39.5 | -174.7 | -42.7 | -28.6 | 0 | 0 | 0 | 109.8 | T226 R227 E228 Q232 E233 L234 | T226-D230 HydrophobicContact CG2-CB 4.36Å; R227-D230 WeakPolarHBondContact CB-OD2 3.47Å; R227-D230 PolarHBondContact N-OD2 3.22Å; R227-D230 PolarHBondContact O-N 3.34Å; E228-D230 VanDerWaalsContact C-N 3.33Å; D230-Q232 VanDerWaalsContact C-N 3.3Å; D230-Q232 PolarHBondContact O-N 3.3Å; D230-E233 PolarHBondContact O-N 2.98Å; D230-L234 VanDerWaalsContact O-CB 3.3Å; D230-L234 WeakPolarHBondContact O-CB 3.24Å; D230-L234 PolarHBondContact O-N 2.78Å |
| 231 | L | 92 | Very high | 91.2 | Very high | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 169.6 | -65.9 | 174.8 | 0 | 0 | 0 | 111.2 | L222 T226 R227 E233 L234 F235 I244 L246 A259 I261 | L222-L231 HydrophobicContact CD1-CD1 4.27Å; L222-L231 HydrophobicContact CD1-CD2 4.11Å; L222-L231 HydrophobicContact CD2-CD2 3.77Å; T226-L231 HydrophobicContact CG2-CD2 4.03Å; T226-L231 HydrophobicContact CG2-CG 3.97Å; R227-L231 PolarHBondContact O-N 3.07Å; L231-E233 PolarHBondContact O-N 3.04Å; L231-L234 PolarHBondContact O-N 3.37Å; L231-F235 HydrophobicContact CD2-CE2 4.19Å; L231-F235 WeakPolarHBondContact O-CB 3.32Å; L231-F235 VanDerWaalsContact O-CD2 3.25Å; L231-F235 WeakPolarHBondContact O-CD2 3.46Å; L231-F235 PolarHBondContact O-N 3.01Å; L231-I244 HydrophobicContact CD1-CG2 4.21Å; L231-L246 HydrophobicContact CD1-CD1 4.28Å; L231-A259 HydrophobicContact CD1-CB 3.6Å; L231-I261 HydrophobicContact CB-CD1 4.29Å |
| 232 | Q | 93 | Very high | 91.1 | Very high | 113 Ų | 113 | 69 Ų | 69 | 53% | 0.528 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 176.8 | -172.2 | 175.6 | -10.1 | 0 | 0 | 111.2 | E228 T229 D230 R236 I241 I244 | E228-Q232 WeakPolarHBondContact O-CB 3.25Å; E228-Q232 PolarHBondContact O-N 2.78Å; T229-Q232 WeakPolarHBondContact O-CB 3.35Å; T229-Q232 PolarHBondContact O-N 3.19Å; T229-Q232 VanDerWaalsContact O-N 3.17Å; D230-Q232 VanDerWaalsContact C-N 3.3Å; D230-Q232 PolarHBondContact O-N 3.3Å; Q232-R236 VanDerWaalsContact O-CB 3.26Å; Q232-R236 WeakPolarHBondContact O-CB 3.41Å; Q232-R236 PolarHBondContact O-N 3.27Å; Q232-I241 HydrophobicContact CG-CD1 4.34Å; Q232-I244 HydrophobicContact CB-CD1 3.73Å; Q232-I244 HydrophobicContact CG-CD1 4.32Å |
| 233 | E | 92.5 | Very high | 91 | Very high | 138 Ų | 138 | 77 Ų | 77 | 65% | 0.645 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | 178 | -72.5 | -173.3 | 175.2 | 0 | 0 | 112.8 | T229 D230 L231 F235 R236 P237 | T229-E233 PolarHBondContact O-N 3.17Å; D230-E233 PolarHBondContact O-N 2.98Å; L231-E233 PolarHBondContact O-N 3.04Å; E233-F235 VanDerWaalsContact C-N 3.31Å; E233-F235 PolarHBondContact O-N 3.14Å; E233-R236 PolarHBondContact O-N 3.1Å; E233-P237 WeakPolarHBondContact O-CD 3.32Å |
| 234 | L | 92 | Very high | 91.1 | Very high | 34 Ų | 34 | 77.7 Ų | 77.7 | 18% | 0.178 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63 | -38.8 | 179.6 | -173.8 | 66 | 0 | 0 | 0 | 112 | D230 L231 P237 F238 V276 F279 L286 | D230-L234 VanDerWaalsContact O-CB 3.3Å; D230-L234 WeakPolarHBondContact O-CB 3.24Å; D230-L234 PolarHBondContact O-N 2.78Å; L231-L234 PolarHBondContact O-N 3.37Å; L234-P237 WeakPolarHBondContact O-CD 3.3Å; L234-F238 WeakPolarHBondContact O-CE2 3.4Å; L234-V276 HydrophobicContact CD2-CG1 4.29Å; L234-F279 HydrophobicContact CD1-CD1 4.37Å; L234-F279 HydrophobicContact CD1-CE1 4.09Å; L234-L286 HydrophobicContact CD2-CD1 3.72Å |
| 235 | F | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -93.6 | -10.5 | -176.4 | -74.9 | -79 | 0 | 0 | 0 | 114.1 | I217 V219 L231 E233 P237 F238 I241 I261 F263 A272 V276 V288 | I217-F235 HydrophobicContact CD1-CD1 4.06Å; I217-F235 HydrophobicContact CD1-CE1 3.57Å; I217-F235 HydrophobicContact CD1-CZ 4.05Å; V219-F235 HydrophobicContact CG2-CE2 3.91Å; V219-F235 HydrophobicContact CG2-CZ 3.6Å; L231-F235 HydrophobicContact CD2-CE2 4.19Å; L231-F235 WeakPolarHBondContact O-CB 3.32Å; L231-F235 VanDerWaalsContact O-CD2 3.25Å; L231-F235 WeakPolarHBondContact O-CD2 3.46Å; L231-F235 PolarHBondContact O-N 3.01Å; E233-F235 VanDerWaalsContact C-N 3.31Å; E233-F235 PolarHBondContact O-N 3.14Å; F235-P237 VanDerWaalsContact C-CD 3.42Å; F235-F238 HydrophobicContact CD1-CD2 4.37Å; F235-F238 PolarHBondContact O-N 3.48Å; F235-F238 VanDerWaalsContact O-N 3.17Å; F235-I241 HydrophobicContact CB-CD1 3.73Å; F235-I241 HydrophobicContact CB-CG1 4.46Å; F235-I261 HydrophobicContact CD2-CD1 3.32Å; F235-I261 HydrophobicContact CE2-CD1 3.43Å; F235-I261 VanDerWaalsContact CE2-CD1 3.43Å; F235-I261 HydrophobicContact CG-CD1 3.94Å; F235-I261 HydrophobicContact CZ-CD1 4.11Å; F235-F263 HydrophobicContact CB-CZ 3.96Å; F235-F263 HydrophobicContact CD1-CE2 4.41Å; F235-F263 AromaticContact CD1-CZ 3.91Å; F235-F263 HydrophobicContact CD1-CZ 3.91Å; F235-F263 HydrophobicContact CG-CZ 4.27Å; F235-A272 HydrophobicContact CD1-CB 3.86Å; F235-A272 HydrophobicContact CE1-CB 3.99Å; F235-V276 HydrophobicContact CD1-CG2 4.42Å; F235-V276 HydrophobicContact CE1-CB 4.13Å; F235-V276 HydrophobicContact CE1-CG1 4.17Å; F235-V276 HydrophobicContact CE1-CG2 3.93Å; F235-V276 HydrophobicContact CZ-CB 4.32Å; F235-V276 HydrophobicContact CZ-CG1 3.85Å; F235-V276 HydrophobicContact CZ-CG2 4.38Å; F235-V288 HydrophobicContact CZ-CG2 4.33Å |
| 236 | R | 91.6 | Very high | 91.5 | Very high | 188 Ų | 188 | 72.7 Ų | 72.7 | 71% | 0.709 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -39.2 | 177.9 | -172.3 | 175.1 | -178.7 | -179 | 0 | 114.8 | Q232 E233 F238 | Q232-R236 VanDerWaalsContact O-CB 3.26Å; Q232-R236 WeakPolarHBondContact O-CB 3.41Å; Q232-R236 PolarHBondContact O-N 3.27Å; E233-R236 PolarHBondContact O-N 3.1Å; R236-F238 PolarHBondContact O-N 3.04Å |
| 237 | P | 92.8 | Very high | 91.5 | Very high | 104 Ų | 104 | 72.8 Ų | 72.8 | 68% | 0.675 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -23.2 | 180 | -22.5 | 34.9 | 0 | 0 | 0 | 113.9 | E233 L234 F235 | E233-P237 WeakPolarHBondContact O-CD 3.32Å; L234-P237 WeakPolarHBondContact O-CD 3.3Å; F235-P237 VanDerWaalsContact C-CD 3.42Å |
| 238 | F | 90.5 | Very high | 91.5 | Very high | 49 Ų | 49 | 69.4 Ų | 69.4 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -28.1 | -175.1 | -56.9 | -79.2 | 0 | 0 | 0 | 112.8 | L234 F235 R236 D268 R271 A272 V276 | L234-F238 WeakPolarHBondContact O-CE2 3.4Å; F235-F238 HydrophobicContact CD1-CD2 4.37Å; F235-F238 PolarHBondContact O-N 3.48Å; F235-F238 VanDerWaalsContact O-N 3.17Å; R236-F238 PolarHBondContact O-N 3.04Å; F238-D268 WeakPolarHBondContact O-CB 3.26Å; F238-R271 PolarHBondContact O-NH2 3.4Å; F238-A272 HydrophobicContact CB-CB 3.95Å; F238-A272 HydrophobicContact CD2-CB 4.33Å; F238-A272 HydrophobicContact CG-CB 4.01Å; F238-V276 HydrophobicContact CD2-CG2 4.26Å; F238-V276 HydrophobicContact CE2-CG2 3.38Å; F238-V276 HydrophobicContact CZ-CG2 3.57Å |
| 239 | G | 90 | Very high | 91.4 | Very high | 17 Ų | 17 | 67.7 Ų | 67.7 | 18% | 0.175 | 33% | 0.333 | C | S | . | . | trans | 166.2 | -174.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 240 | S | 90.6 | Very high | 91 | Very high | 76 Ų | 76 | 73.4 Ų | 73.4 | 53% | 0.531 | 35% | 0.352 | S | S | . | . | trans | -82.4 | 124.4 | 179.5 | -49 | 0 | 0 | 0 | 0 | 111 | H264 | S240-H264 PolarHBondContact O-CD2 3.27Å; S240-H264 PolarHBondContact O-N 3.23Å | ||
| 241 | I | 92.3 | Very high | 90.7 | Very high | 38 Ų | 38 | 78.6 Ų | 78.6 | 20% | 0.195 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.5 | -179.2 | -56.4 | 167.5 | 0 | 0 | 0 | 109 | Q232 F235 I244 I261 F263 | Q232-I241 HydrophobicContact CG-CD1 4.34Å; F235-I241 HydrophobicContact CB-CD1 3.73Å; F235-I241 HydrophobicContact CB-CG1 4.46Å; I241-I244 HydrophobicContact CD1-CD1 4.23Å; I241-I244 HydrophobicContact CG2-CD1 4.15Å; I241-I244 HydrophobicContact CG2-CG1 3.58Å; I241-I261 HydrophobicContact CD1-CG2 4.44Å; I241-I261 HydrophobicContact CG1-CG2 4.26Å; I241-I261 HydrophobicContact CG2-CG2 3.63Å; I241-F263 HydrophobicContact CG1-CD1 4.34Å; I241-F263 HydrophobicContact CG1-CE1 3.94Å; I241-F263 HydrophobicContact CG1-CZ 4.29Å |
| 242 | S | 90.4 | Very high | 90.3 | Very high | 49 Ų | 49 | 82.7 Ų | 82.7 | 34% | 0.343 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -49.1 | 175.7 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | S262 | S242-S262 WeakPolarHBondContact CA-O 3.25Å; S242-S262 WeakPolarHBondContact CB-O 3.43Å; S242-S262 PolarHBondContact N-O 2.94Å |
| 243 | R | 89.1 | Confident | 89.7 | Confident | 174 Ų | 174 | 79.6 Ų | 79.6 | 66% | 0.657 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 137.7 | -177.6 | -168.5 | 175.6 | -176.1 | -172.9 | 0.1 | 111.9 | S262 | R243-S262 PolarHBondContact N-O 2.92Å; R243-S262 VanDerWaalsContact N-O 3.16Å; R243-S262 PolarHBondContact O-N 3.37Å |
| 244 | I | 92.4 | Very high | 89.3 | Confident | 31 Ų | 31 | 77.7 Ų | 77.7 | 16% | 0.159 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 135.8 | 169.7 | -56.9 | 175.5 | 0 | 0 | 0 | 107.5 | E228 L231 Q232 I241 I261 | E228-I244 HydrophobicContact CB-CG2 4.23Å; E228-I244 HydrophobicContact CG-CG2 4Å; L231-I244 HydrophobicContact CD1-CG2 4.21Å; Q232-I244 HydrophobicContact CB-CD1 3.73Å; Q232-I244 HydrophobicContact CG-CD1 4.32Å; I241-I244 HydrophobicContact CD1-CD1 4.23Å; I241-I244 HydrophobicContact CG2-CD1 4.15Å; I241-I244 HydrophobicContact CG2-CG1 3.58Å; I244-I261 HydrophobicContact CG1-CG2 4.46Å; I244-I261 HydrophobicContact CG2-CG1 4.47Å |
| 245 | Y | 91.8 | Very high | 89 | Confident | 130 Ų | 130 | 76.7 Ų | 76.7 | 51% | 0.51 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 101.6 | 171.1 | 177.5 | -104.9 | 0 | 0 | 0 | 108.7 | A247 A259 F260 | Y245-A247 HydrophobicContact CE1-CB 4.4Å; Y245-A259 CarbonylContact O-C 3.53Å; Y245-A259 WeakPolarHBondContact O-CA 3.42Å; Y245-F260 HydrophobicContact CD1-CB 4.49Å; Y245-F260 AromaticContact CD1-CD2 3.93Å; Y245-F260 HydrophobicContact CD1-CD2 3.93Å; Y245-F260 HydrophobicContact CE1-CD2 4.49Å; Y245-F260 PolarHBondContact N-O 3.11Å; Y245-F260 PolarHBondContact O-N 3.1Å |
| 246 | L | 92.6 | Very high | 88.8 | Confident | 7 Ų | 7 | 81.9 Ų | 81.9 | 4% | 0.037 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 119.1 | 173.5 | 179.4 | 58.8 | 0 | 0 | 0 | 109.1 | L222 T226 E228 L231 K248 A259 | L222-L246 HydrophobicContact CD1-CD1 4.33Å; T226-L246 VanDerWaalsContact O-CD2 3.3Å; T226-L246 WeakPolarHBondContact O-CD2 3.48Å; E228-L246 HydrophobicContact CG-CB 3.69Å; E228-L246 HydrophobicContact CG-CD2 4.16Å; L231-L246 HydrophobicContact CD1-CD1 4.28Å; L246-K248 VanDerWaalsContact CD2-CE 3.46Å; L246-K248 HydrophobicContact CD2-CG 4.47Å; L246-K248 HydrophobicContact CG-CG 4.18Å; L246-K248 PolarHBondContact O-N 2.8Å; L246-K248 VanDerWaalsContact O-N 3.11Å; L246-A259 HydrophobicContact CD1-CB 4Å |
| 247 | A | 90 | Very high | 88.7 | Confident | 5 Ų | 5 | 73.9 Ų | 73.9 | 4% | 0.041 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 108.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y245 K256 F258 | Y245-A247 HydrophobicContact CE1-CB 4.4Å; A247-K256 HydrophobicContact CB-CB 4.39Å; A247-K256 WeakPolarHBondContact O-CB 3.18Å; A247-K256 PolarHBondContact O-N 3.03Å; A247-F258 HydrophobicContact CB-CD1 4.48Å; A247-F258 HydrophobicContact CB-CD2 3.4Å; A247-F258 HydrophobicContact CB-CE1 4.19Å; A247-F258 HydrophobicContact CB-CE2 3.02Å; A247-F258 HydrophobicContact CB-CG 4.14Å; A247-F258 HydrophobicContact CB-CZ 3.47Å; A247-F258 VanDerWaalsContact CB-CZ 3.47Å; A247-F258 WeakPolarHBondContact CB-O 3.44Å; A247-F258 PolarHBondContact N-O 3.44Å; A247-F258 VanDerWaalsContact N-O 3.16Å |
| 248 | K | 90.2 | Very high | 88.7 | Confident | 98 Ų | 98 | 72.4 Ų | 72.4 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 148.7 | 175.1 | -61.5 | -179.9 | -176.7 | 179 | 0 | 110.4 | L246 Q254 | L246-K248 VanDerWaalsContact CD2-CE 3.46Å; L246-K248 HydrophobicContact CD2-CG 4.47Å; L246-K248 HydrophobicContact CG-CG 4.18Å; L246-K248 PolarHBondContact O-N 2.8Å; L246-K248 VanDerWaalsContact O-N 3.11Å; K248-Q254 CarbonylContact C-O 3.58Å; K248-Q254 VanDerWaalsContact CA-O 3.32Å; K248-Q254 WeakPolarHBondContact CA-O 3.36Å |
| 249 | D | 87.6 | Confident | 88.8 | Confident | 50 Ų | 50 | 70 Ų | 70 | 27% | 0.267 | 36% | 0.361 | S | S | . | . | trans | -74.7 | 135.8 | 171.1 | -162 | 26.2 | 0 | 0 | 0 | 111.2 | N251 G253 Q254 K256 | D249-N251 VanDerWaalsContact C-N 3.25Å; D249-N251 PolarHBondContact O-N 3.16Å; D249-G253 VanDerWaalsContact O-CA 3.24Å; D249-G253 WeakPolarHBondContact O-CA 3.42Å; D249-G253 PolarHBondContact O-N 3.03Å; D249-Q254 PolarHBondContact N-O 2.95Å; D249-K256 HydrophobicContact CB-CG 4.25Å; D249-K256 WeakPolarHBondContact OD1-CE 3.44Å; D249-K256 IonicContact OD1-NZ 3.45Å; D249-K256 PolarHBondContact OD1-NZ 2.63Å; D249-K256 VanDerWaalsContact OD1-NZ 3.1Å | ||
| 250 | K | 84.8 | Confident | 89 | Confident | 198 Ų | 198 | 72.2 Ų | 72.2 | 86% | 0.861 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -24.7 | -172.1 | -68.4 | -176.2 | 178.2 | -176.2 | 0 | 112.4 | ||
| 251 | N | 85.7 | Confident | 89.1 | Confident | 150 Ų | 150 | 68.6 Ų | 68.6 | 80% | 0.802 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -45 | -175.8 | -61.3 | -20.1 | 0 | 0 | 0 | 111.8 | D249 | D249-N251 VanDerWaalsContact C-N 3.25Å; D249-N251 PolarHBondContact O-N 3.16Å |
| 252 | T | 82.8 | Confident | 89.1 | Confident | 88 Ų | 88 | 67.3 Ų | 67.3 | 54% | 0.54 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -15.7 | -176.2 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | Q254 | T252-Q254 PolarHBondContact O-N 2.84Å; T252-Q254 VanDerWaalsContact O-N 3.14Å; T252-Q254 PolarHBondContact OG1-N 2.84Å |
| 253 | G | 81.7 | Confident | 89.2 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | trans | 71.3 | -3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D249 | D249-G253 VanDerWaalsContact O-CA 3.24Å; D249-G253 WeakPolarHBondContact O-CA 3.42Å; D249-G253 PolarHBondContact O-N 3.03Å | ||
| 254 | Q | 82.9 | Confident | 89.2 | Confident | 97 Ų | 97 | 62.8 Ų | 62.8 | 45% | 0.453 | 32% | 0.315 | S | S | . | . | trans | -76.1 | 151.3 | -179.8 | -68.8 | -168.9 | -46.4 | 0 | 0 | 112.2 | E224 K248 D249 T252 | E224-Q254 PolarHBondContact OE2-NE2 3.42Å; K248-Q254 CarbonylContact C-O 3.58Å; K248-Q254 VanDerWaalsContact CA-O 3.32Å; K248-Q254 WeakPolarHBondContact CA-O 3.36Å; D249-Q254 PolarHBondContact N-O 2.95Å; T252-Q254 PolarHBondContact O-N 2.84Å; T252-Q254 VanDerWaalsContact O-N 3.14Å; T252-Q254 PolarHBondContact OG1-N 2.84Å | ||
| 255 | S | 87.3 | Confident | 89.1 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 130.4 | 176.7 | -58.9 | 0 | 0 | 0 | 0 | 110.7 | E224 T226 G257 | E224-S255 PolarHBondContact O-OG 3.14Å; T226-S255 PolarHBondContact O-OG 2.79Å; S255-G257 PolarHBondContact O-N 3.44Å; S255-G257 VanDerWaalsContact O-N 3.07Å |
| 256 | K | 87.6 | Confident | 89 | Confident | 110 Ų | 110 | 67.9 Ų | 67.9 | 48% | 0.478 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 10.6 | 177.3 | -68.7 | -172 | 166.3 | 173.1 | 0 | 113.8 | A247 D249 F258 | A247-K256 HydrophobicContact CB-CB 4.39Å; A247-K256 WeakPolarHBondContact O-CB 3.18Å; A247-K256 PolarHBondContact O-N 3.03Å; D249-K256 HydrophobicContact CB-CG 4.25Å; D249-K256 WeakPolarHBondContact OD1-CE 3.44Å; D249-K256 IonicContact OD1-NZ 3.45Å; D249-K256 PolarHBondContact OD1-NZ 2.63Å; D249-K256 VanDerWaalsContact OD1-NZ 3.1Å; K256-F258 VanDerWaalsContact C-N 3.3Å; K256-F258 HydrophobicContact CB-CD1 3.8Å; K256-F258 HydrophobicContact CB-CE1 3.35Å; K256-F258 HydrophobicContact CB-CZ 3.99Å; K256-F258 HydrophobicContact CD-CE1 4.1Å; K256-F258 HydrophobicContact CD-CZ 4.11Å; K256-F258 HydrophobicContact CG-CE1 4.33Å; K256-F258 VanDerWaalsContact O-CD1 3.23Å; K256-F258 WeakPolarHBondContact O-CD1 3.49Å; K256-F258 PolarHBondContact O-N 2.9Å |
| 257 | G | 89.7 | Confident | 89 | Confident | 19 Ų | 19 | 72.9 Ų | 72.9 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.9 | 14.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N221 L222 S255 | N221-G257 PolarHBondContact N-O 2.89Å; L222-G257 PolarHBondContact N-O 3.18Å; L222-G257 VanDerWaalsContact N-O 3.14Å; L222-G257 WeakPolarHBondContact O-CA 3.37Å; S255-G257 PolarHBondContact O-N 3.44Å; S255-G257 VanDerWaalsContact O-N 3.07Å |
| 258 | F | 91.9 | Very high | 89.1 | Confident | 73 Ų | 73 | 72.7 Ų | 72.7 | 32% | 0.32 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 147.1 | 173.6 | 61 | -90.6 | 0 | 0 | 0 | 113 | V219 A247 K256 F260 | V219-F258 CarbonylContact O-C 3.59Å; V219-F258 VanDerWaalsContact O-CA 3.24Å; V219-F258 WeakPolarHBondContact O-CA 3.35Å; A247-F258 HydrophobicContact CB-CD1 4.48Å; A247-F258 HydrophobicContact CB-CD2 3.4Å; A247-F258 HydrophobicContact CB-CE1 4.19Å; A247-F258 HydrophobicContact CB-CE2 3.02Å; A247-F258 HydrophobicContact CB-CG 4.14Å; A247-F258 HydrophobicContact CB-CZ 3.47Å; A247-F258 VanDerWaalsContact CB-CZ 3.47Å; A247-F258 WeakPolarHBondContact CB-O 3.44Å; A247-F258 PolarHBondContact N-O 3.44Å; A247-F258 VanDerWaalsContact N-O 3.16Å; K256-F258 VanDerWaalsContact C-N 3.3Å; K256-F258 HydrophobicContact CB-CD1 3.8Å; K256-F258 HydrophobicContact CB-CE1 3.35Å; K256-F258 HydrophobicContact CB-CZ 3.99Å; K256-F258 HydrophobicContact CD-CE1 4.1Å; K256-F258 HydrophobicContact CD-CZ 4.11Å; K256-F258 HydrophobicContact CG-CE1 4.33Å; K256-F258 VanDerWaalsContact O-CD1 3.23Å; K256-F258 WeakPolarHBondContact O-CD1 3.49Å; K256-F258 PolarHBondContact O-N 2.9Å; F258-F260 AromaticContact CD2-CE2 3.91Å; F258-F260 HydrophobicContact CD2-CE2 3.91Å; F258-F260 HydrophobicContact CE2-CE2 4.17Å |
| 259 | A | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | R218 V219 L222 L231 Y245 L246 | R218-A259 WeakPolarHBondContact CA-O 3.24Å; V219-A259 PolarHBondContact N-O 3.25Å; V219-A259 PolarHBondContact O-N 2.93Å; L222-A259 HydrophobicContact CD1-CB 3.52Å; L231-A259 HydrophobicContact CD1-CB 3.6Å; Y245-A259 CarbonylContact O-C 3.53Å; Y245-A259 WeakPolarHBondContact O-CA 3.42Å; L246-A259 HydrophobicContact CD1-CB 4Å |
| 260 | F | 93.5 | Very high | 89.3 | Confident | 63 Ų | 63 | 67.7 Ų | 67.7 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.2 | 172 | -66.3 | -89.9 | 0 | 0 | 0 | 108.9 | T216 I217 R218 Y245 F258 A291 | T216-F260 HydrophobicContact CG2-CB 4.3Å; T216-F260 HydrophobicContact CG2-CD1 4.41Å; I217-F260 WeakPolarHBondContact O-CA 3.23Å; R218-F260 HydrophobicContact CB-CD1 4.11Å; R218-F260 HydrophobicContact CB-CE1 3.93Å; R218-F260 HydrophobicContact CG-CD1 4.18Å; R218-F260 HydrophobicContact CG-CE1 3.74Å; R218-F260 HydrophobicContact CG-CZ 4.07Å; Y245-F260 HydrophobicContact CD1-CB 4.49Å; Y245-F260 AromaticContact CD1-CD2 3.93Å; Y245-F260 HydrophobicContact CD1-CD2 3.93Å; Y245-F260 HydrophobicContact CE1-CD2 4.49Å; Y245-F260 PolarHBondContact N-O 3.11Å; Y245-F260 PolarHBondContact O-N 3.1Å; F258-F260 AromaticContact CD2-CE2 3.91Å; F258-F260 HydrophobicContact CD2-CE2 3.91Å; F258-F260 HydrophobicContact CE2-CE2 4.17Å; F260-A291 HydrophobicContact CD1-CB 3.89Å; F260-A291 HydrophobicContact CE1-CB 4.07Å |
| 261 | I | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 117.7 | -178.8 | -56.1 | 176.2 | 0 | 0 | 0 | 107.6 | T216 I217 V219 L231 F235 I241 I244 F263 | T216-I261 CarbonylContact C-O 3.54Å; T216-I261 WeakPolarHBondContact CA-O 3.49Å; I217-I261 HydrophobicContact CD1-CB 4.21Å; I217-I261 HydrophobicContact CG1-CB 3.77Å; I217-I261 WeakPolarHBondContact CG1-O 3.5Å; I217-I261 PolarHBondContact N-O 3.02Å; I217-I261 PolarHBondContact O-N 2.8Å; V219-I261 HydrophobicContact CG2-CD1 3.99Å; L231-I261 HydrophobicContact CB-CD1 4.29Å; F235-I261 HydrophobicContact CD2-CD1 3.32Å; F235-I261 HydrophobicContact CE2-CD1 3.43Å; F235-I261 VanDerWaalsContact CE2-CD1 3.43Å; F235-I261 HydrophobicContact CG-CD1 3.94Å; F235-I261 HydrophobicContact CZ-CD1 4.11Å; I241-I261 HydrophobicContact CD1-CG2 4.44Å; I241-I261 HydrophobicContact CG1-CG2 4.26Å; I241-I261 HydrophobicContact CG2-CG2 3.63Å; I244-I261 HydrophobicContact CG1-CG2 4.46Å; I244-I261 HydrophobicContact CG2-CG1 4.47Å; I261-F263 HydrophobicContact CB-CE2 4.45Å; I261-F263 HydrophobicContact CG2-CD2 4.14Å; I261-F263 HydrophobicContact CG2-CE2 3.72Å; I261-F263 HydrophobicContact CG2-CZ 4.27Å |
| 262 | S | 91.9 | Very high | 90.1 | Very high | 10 Ų | 10 | 57.4 Ų | 57.4 | 7% | 0.07 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.6 | 174 | -178 | 0 | 0 | 0 | 0 | 109 | D212 T216 S242 R243 | D212-S262 PolarHBondContact O-OG 2.92Å; D212-S262 VanDerWaalsContact O-OG 3.05Å; T216-S262 WeakPolarHBondContact OG1-CB 3.41Å; T216-S262 PolarHBondContact OG1-OG 3.49Å; S242-S262 WeakPolarHBondContact CA-O 3.25Å; S242-S262 WeakPolarHBondContact CB-O 3.43Å; S242-S262 PolarHBondContact N-O 2.94Å; R243-S262 PolarHBondContact N-O 2.92Å; R243-S262 VanDerWaalsContact N-O 3.16Å; R243-S262 PolarHBondContact O-N 3.37Å |
| 263 | F | 92.5 | Very high | 90.6 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 154.3 | 173.8 | -77.3 | -95.5 | 0 | 0 | 0 | 110.9 | A215 I217 F235 I241 I261 R265 D268 A269 A272 | A215-F263 HydrophobicContact CB-CB 4.49Å; A215-F263 VanDerWaalsContact CB-O 3.29Å; A215-F263 WeakPolarHBondContact CB-O 3.09Å; A215-F263 PolarHBondContact O-N 3.32Å; I217-F263 HydrophobicContact CD1-CD2 4.49Å; I217-F263 HydrophobicContact CD1-CE2 3.64Å; I217-F263 HydrophobicContact CD1-CZ 4.49Å; I217-F263 HydrophobicContact CG1-CD2 4.42Å; I217-F263 HydrophobicContact CG1-CE2 3.99Å; F235-F263 HydrophobicContact CB-CZ 3.96Å; F235-F263 HydrophobicContact CD1-CE2 4.41Å; F235-F263 AromaticContact CD1-CZ 3.91Å; F235-F263 HydrophobicContact CD1-CZ 3.91Å; F235-F263 HydrophobicContact CG-CZ 4.27Å; I241-F263 HydrophobicContact CG1-CD1 4.34Å; I241-F263 HydrophobicContact CG1-CE1 3.94Å; I241-F263 HydrophobicContact CG1-CZ 4.29Å; I261-F263 HydrophobicContact CB-CE2 4.45Å; I261-F263 HydrophobicContact CG2-CD2 4.14Å; I261-F263 HydrophobicContact CG2-CE2 3.72Å; I261-F263 HydrophobicContact CG2-CZ 4.27Å; F263-R265 WeakPolarHBondContact CB-O 3.47Å; F263-R265 PolarHBondContact O-N 3.48Å; F263-D268 HydrophobicContact CD1-CB 3.9Å; F263-D268 HydrophobicContact CE1-CB 4.49Å; F263-D268 HydrophobicContact CG-CB 4.43Å; F263-A269 HydrophobicContact CB-CB 4.22Å; F263-A269 HydrophobicContact CD2-CB 3.82Å; F263-A269 HydrophobicContact CG-CB 4.19Å; F263-A272 HydrophobicContact CE2-CB 4.27Å; F263-A272 HydrophobicContact CZ-CB 4Å |
| 264 | H | 90.3 | Very high | 91.1 | Very high | 125 Ų | 125 | 56.5 Ų | 56.5 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -63.8 | -30.6 | 170.9 | -80.6 | -74.5 | 0 | 0 | 0 | 112.7 | S240 | S240-H264 PolarHBondContact O-CD2 3.27Å; S240-H264 PolarHBondContact O-N 3.23Å |
| 265 | R | 89.8 | Confident | 91.4 | Very high | 117 Ų | 117 | 54 Ų | 54 | 44% | 0.442 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -128.6 | 136.4 | -178.1 | -56.9 | -176.9 | -61.5 | 167.9 | -3.7 | 110.7 | F263 E267 D268 A269 | F263-R265 WeakPolarHBondContact CB-O 3.47Å; F263-R265 PolarHBondContact O-N 3.48Å; R265-E267 VanDerWaalsContact C-N 3.28Å; R265-E267 HydrophobicContact CB-CG 3.95Å; R265-E267 VanDerWaalsContact CD-OE1 3.3Å; R265-E267 WeakPolarHBondContact CD-OE1 3.45Å; R265-E267 IonicContact CZ-OE1 3.59Å; R265-E267 IonicContact NE-OE1 3.63Å; R265-E267 PolarHBondContact NE-OE1 3.03Å; R265-E267 IonicContact NH1-OE1 3.9Å; R265-E267 PolarHBondContact NH1-OE1 2.82Å; R265-E267 PolarHBondContact O-N 3.16Å; R265-D268 IonicContact CZ-OD1 2.89Å; R265-D268 IonicContact CZ-OD2 2.63Å; R265-D268 VanDerWaalsContact CZ-OD2 3.32Å; R265-D268 IonicContact NE-OD1 3.2Å; R265-D268 IonicContact NE-OD2 2.9Å; R265-D268 PolarHBondContact NE-OD2 3.16Å; R265-D268 VanDerWaalsContact NH2-CG 3.31Å; R265-D268 IonicContact NH2-OD1 3.1Å; R265-D268 PolarHBondContact NH2-OD1 3.26Å; R265-D268 IonicContact NH2-OD2 2.83Å; R265-D268 PolarHBondContact NH2-OD2 3.47Å; R265-D268 PolarHBondContact O-N 2.93Å; R265-A269 PolarHBondContact O-N 3.44Å |
| 266 | R | 89.8 | Confident | 91.5 | Very high | 152 Ų | 152 | 53.5 Ų | 53.5 | 57% | 0.574 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.9 | -31.3 | 178.5 | -176.1 | 176.6 | 174.6 | 172.7 | -0.9 | 112.9 | N214 A215 D268 A269 A270 W290 | N214-R266 WeakPolarHBondContact O-CD 3.48Å; A215-R266 HydrophobicContact CB-CB 4.16Å; R266-D268 VanDerWaalsContact C-N 3.32Å; R266-D268 PolarHBondContact O-N 2.74Å; R266-A269 WeakPolarHBondContact O-CB 3.42Å; R266-A269 PolarHBondContact O-N 2.78Å; R266-A270 PolarHBondContact O-N 2.82Å; R266-W290 HydrophobicContact CG-CH2 3.78Å; R266-W290 HydrophobicContact CG-CZ3 4.16Å |
| 267 | E | 91.3 | Very high | 91.6 | Very high | 112 Ų | 112 | 51 Ų | 51 | 52% | 0.523 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.5 | -35 | 176.9 | 65.4 | -161.8 | 179.1 | 0 | 0 | 112.7 | R265 A270 R271 | R265-E267 VanDerWaalsContact C-N 3.28Å; R265-E267 HydrophobicContact CB-CG 3.95Å; R265-E267 VanDerWaalsContact CD-OE1 3.3Å; R265-E267 WeakPolarHBondContact CD-OE1 3.45Å; R265-E267 IonicContact CZ-OE1 3.59Å; R265-E267 IonicContact NE-OE1 3.63Å; R265-E267 PolarHBondContact NE-OE1 3.03Å; R265-E267 IonicContact NH1-OE1 3.9Å; R265-E267 PolarHBondContact NH1-OE1 2.82Å; R265-E267 PolarHBondContact O-N 3.16Å; E267-A270 PolarHBondContact O-N 3.38Å; E267-R271 WeakPolarHBondContact O-CG 3.38Å; E267-R271 PolarHBondContact O-N 3.39Å; E267-R271 VanDerWaalsContact O-N 3.16Å |
| 268 | D | 92.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.1 | -42.5 | 176.9 | -64.2 | -9.5 | 0 | 0 | 0 | 110.6 | F238 F263 R265 R266 A270 R271 A272 | F238-D268 WeakPolarHBondContact O-CB 3.26Å; F263-D268 HydrophobicContact CD1-CB 3.9Å; F263-D268 HydrophobicContact CE1-CB 4.49Å; F263-D268 HydrophobicContact CG-CB 4.43Å; R265-D268 IonicContact CZ-OD1 2.89Å; R265-D268 IonicContact CZ-OD2 2.63Å; R265-D268 VanDerWaalsContact CZ-OD2 3.32Å; R265-D268 IonicContact NE-OD1 3.2Å; R265-D268 IonicContact NE-OD2 2.9Å; R265-D268 PolarHBondContact NE-OD2 3.16Å; R265-D268 VanDerWaalsContact NH2-CG 3.31Å; R265-D268 IonicContact NH2-OD1 3.1Å; R265-D268 PolarHBondContact NH2-OD1 3.26Å; R265-D268 IonicContact NH2-OD2 2.83Å; R265-D268 PolarHBondContact NH2-OD2 3.47Å; R265-D268 PolarHBondContact O-N 2.93Å; R266-D268 VanDerWaalsContact C-N 3.32Å; R266-D268 PolarHBondContact O-N 2.74Å; D268-A270 VanDerWaalsContact C-N 3.33Å; D268-A270 PolarHBondContact O-N 3.38Å; D268-R271 PolarHBondContact O-N 2.92Å; D268-R271 IonicContact OD1-CZ 2.94Å; D268-R271 IonicContact OD1-NE 3.93Å; D268-R271 IonicContact OD1-NH2 3.33Å; D268-R271 PolarHBondContact OD1-NH2 3.02Å; D268-A272 WeakPolarHBondContact O-CB 3.29Å; D268-A272 PolarHBondContact O-N 3.48Å |
| 269 | A | 91.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I217 F263 R265 R266 R271 A272 I273 W290 | I217-A269 HydrophobicContact CG2-CB 3.7Å; F263-A269 HydrophobicContact CB-CB 4.22Å; F263-A269 HydrophobicContact CD2-CB 3.82Å; F263-A269 HydrophobicContact CG-CB 4.19Å; R265-A269 PolarHBondContact O-N 3.44Å; R266-A269 WeakPolarHBondContact O-CB 3.42Å; R266-A269 PolarHBondContact O-N 2.78Å; A269-R271 PolarHBondContact O-N 3.27Å; A269-A272 PolarHBondContact O-N 3.38Å; A269-I273 WeakPolarHBondContact O-CG1 3.47Å; A269-I273 PolarHBondContact O-N 3.02Å; A269-W290 HydrophobicContact CB-CH2 3.77Å; A269-W290 HydrophobicContact CB-CZ3 3.74Å |
| 270 | A | 91.8 | Very high | 91.2 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R266 E267 D268 I273 A274 W290 | R266-A270 PolarHBondContact O-N 2.82Å; E267-A270 PolarHBondContact O-N 3.38Å; D268-A270 VanDerWaalsContact C-N 3.33Å; D268-A270 PolarHBondContact O-N 3.38Å; A270-I273 PolarHBondContact O-N 3.32Å; A270-A274 PolarHBondContact O-N 2.76Å; A270-W290 HydrophobicContact CB-CH2 4.18Å; A270-W290 HydrophobicContact CB-CZ2 3.88Å |
| 271 | R | 93.1 | Very high | 90.9 | Very high | 132 Ų | 132 | 56 Ų | 56 | 50% | 0.498 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 174.9 | -72.1 | -172.6 | -72 | 159 | -2.7 | 112 | F238 E267 D268 A269 I273 A274 G275 | F238-R271 PolarHBondContact O-NH2 3.4Å; E267-R271 WeakPolarHBondContact O-CG 3.38Å; E267-R271 PolarHBondContact O-N 3.39Å; E267-R271 VanDerWaalsContact O-N 3.16Å; D268-R271 PolarHBondContact O-N 2.92Å; D268-R271 IonicContact OD1-CZ 2.94Å; D268-R271 IonicContact OD1-NE 3.93Å; D268-R271 IonicContact OD1-NH2 3.33Å; D268-R271 PolarHBondContact OD1-NH2 3.02Å; A269-R271 PolarHBondContact O-N 3.27Å; R271-I273 VanDerWaalsContact C-N 3.35Å; R271-I273 PolarHBondContact O-N 3.49Å; R271-A274 PolarHBondContact O-N 3.48Å; R271-G275 PolarHBondContact O-N 3.43Å |
| 272 | A | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I217 F235 F238 F263 D268 A269 A274 G275 V276 | I217-A272 HydrophobicContact CD1-CB 4.41Å; F235-A272 HydrophobicContact CD1-CB 3.86Å; F235-A272 HydrophobicContact CE1-CB 3.99Å; F238-A272 HydrophobicContact CB-CB 3.95Å; F238-A272 HydrophobicContact CD2-CB 4.33Å; F238-A272 HydrophobicContact CG-CB 4.01Å; F263-A272 HydrophobicContact CE2-CB 4.27Å; F263-A272 HydrophobicContact CZ-CB 4Å; D268-A272 WeakPolarHBondContact O-CB 3.29Å; D268-A272 PolarHBondContact O-N 3.48Å; A269-A272 PolarHBondContact O-N 3.38Å; A272-A274 PolarHBondContact O-N 2.94Å; A272-G275 PolarHBondContact O-N 3.05Å; A272-V276 WeakPolarHBondContact O-CB 3.37Å; A272-V276 PolarHBondContact O-N 3.44Å |
| 273 | I | 93.2 | Very high | 90.1 | Very high | 30 Ų | 30 | 67.4 Ų | 67.4 | 15% | 0.154 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 175.9 | -70.2 | 162.2 | 0 | 0 | 0 | 111.1 | I217 A269 A270 R271 G275 S277 V288 W290 | I217-I273 HydrophobicContact CG2-CD1 3.87Å; I217-I273 HydrophobicContact CG2-CG1 3.95Å; A269-I273 WeakPolarHBondContact O-CG1 3.47Å; A269-I273 PolarHBondContact O-N 3.02Å; A270-I273 PolarHBondContact O-N 3.32Å; R271-I273 VanDerWaalsContact C-N 3.35Å; R271-I273 PolarHBondContact O-N 3.49Å; I273-G275 VanDerWaalsContact C-N 3.35Å; I273-G275 PolarHBondContact O-N 3.48Å; I273-S277 WeakPolarHBondContact O-CB 3.38Å; I273-S277 PolarHBondContact O-N 3.49Å; I273-V288 HydrophobicContact CG1-CG1 3.82Å; I273-W290 HydrophobicContact CD1-CD2 3.52Å; I273-W290 HydrophobicContact CD1-CE3 4.04Å; I273-W290 HydrophobicContact CD1-CG 3.91Å; I273-W290 HydrophobicContact CD1-CH2 4.12Å; I273-W290 HydrophobicContact CD1-CZ2 3.62Å; I273-W290 HydrophobicContact CD1-CZ3 4.31Å |
| 274 | A | 92.1 | Very high | 90 | Very high | 86 Ų | 86 | 69.9 Ų | 69.9 | 71% | 0.711 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -70.1 | -29.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A270 R271 A272 | A270-A274 PolarHBondContact O-N 2.76Å; R271-A274 PolarHBondContact O-N 3.48Å; A272-A274 PolarHBondContact O-N 2.94Å |
| 275 | G | 89.2 | Confident | 90.1 | Very high | 44 Ų | 44 | 69.2 Ų | 69.2 | 45% | 0.454 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -88.7 | -37.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R271 A272 I273 | R271-G275 PolarHBondContact O-N 3.43Å; A272-G275 PolarHBondContact O-N 3.05Å; I273-G275 VanDerWaalsContact C-N 3.35Å; I273-G275 PolarHBondContact O-N 3.48Å |
| 276 | V | 90 | Very high | 90.3 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -98.1 | -18.8 | -172.8 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | L234 F235 F238 A272 G278 F279 L286 V288 | L234-V276 HydrophobicContact CD2-CG1 4.29Å; F235-V276 HydrophobicContact CD1-CG2 4.42Å; F235-V276 HydrophobicContact CE1-CB 4.13Å; F235-V276 HydrophobicContact CE1-CG1 4.17Å; F235-V276 HydrophobicContact CE1-CG2 3.93Å; F235-V276 HydrophobicContact CZ-CB 4.32Å; F235-V276 HydrophobicContact CZ-CG1 3.85Å; F235-V276 HydrophobicContact CZ-CG2 4.38Å; F238-V276 HydrophobicContact CD2-CG2 4.26Å; F238-V276 HydrophobicContact CE2-CG2 3.38Å; F238-V276 HydrophobicContact CZ-CG2 3.57Å; A272-V276 WeakPolarHBondContact O-CB 3.37Å; A272-V276 PolarHBondContact O-N 3.44Å; V276-G278 PolarHBondContact O-N 3.29Å; V276-F279 HydrophobicContact CG1-CB 4.49Å; V276-F279 VanDerWaalsContact O-CB 3.25Å; V276-F279 WeakPolarHBondContact O-CB 3.3Å; V276-F279 PolarHBondContact O-N 3.34Å; V276-L286 HydrophobicContact CG1-CB 4.49Å; V276-L286 HydrophobicContact CG1-CD1 4.09Å; V276-V288 HydrophobicContact CB-CG2 3.98Å; V276-V288 HydrophobicContact CG1-CG2 3.74Å |
| 277 | S | 90 | Very high | 90.4 | Very high | 57 Ų | 57 | 59.1 Ų | 59.1 | 40% | 0.399 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 121.3 | 175.5 | -168.8 | 0 | 0 | 0 | 0 | 110.7 | I273 | I273-S277 WeakPolarHBondContact O-CB 3.38Å; I273-S277 PolarHBondContact O-N 3.49Å |
| 278 | G | 88 | Confident | 90.6 | Very high | 51 Ų | 51 | 54 Ų | 54 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 1.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V276 L286 | V276-G278 PolarHBondContact O-N 3.29Å; G278-L286 PolarHBondContact N-O 2.87Å |
| 279 | F | 88 | Confident | 90.6 | Very high | 102 Ų | 102 | 57.8 Ų | 57.8 | 45% | 0.447 | 34% | 0.337 | S | S | . | . | trans | -76.4 | 133 | 175.2 | -174.5 | -104.9 | 0 | 0 | 0 | 111.1 | L234 V276 Y281 L286 | L234-F279 HydrophobicContact CD1-CD1 4.37Å; L234-F279 HydrophobicContact CD1-CE1 4.09Å; V276-F279 HydrophobicContact CG1-CB 4.49Å; V276-F279 VanDerWaalsContact O-CB 3.25Å; V276-F279 WeakPolarHBondContact O-CB 3.3Å; V276-F279 PolarHBondContact O-N 3.34Å; F279-Y281 HydrophobicContact CE1-CD2 4.33Å; F279-L286 PolarHBondContact O-N 2.8Å | ||
| 280 | G | 89.9 | Confident | 90.7 | Very high | 50 Ų | 50 | 62.8 Ų | 62.8 | 52% | 0.515 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 117.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L284 | G280-L284 CarbonylContact C-O 3.59Å; G280-L284 WeakPolarHBondContact CA-O 3.35Å |
| 281 | Y | 87.2 | Confident | 90.6 | Very high | 58 Ų | 58 | 61.7 Ų | 61.7 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.9 | 176.8 | -172.5 | -91.6 | 0 | 0 | 0 | 109.5 | T226 F279 H283 L284 L286 | T226-Y281 HydrophobicContact CG2-CE1 4.35Å; F279-Y281 HydrophobicContact CE1-CD2 4.33Å; Y281-H283 PolarHBondContact O-N 3.45Å; Y281-L284 PolarHBondContact N-O 3.19Å; Y281-L284 PolarHBondContact O-N 3.27Å; Y281-L286 HydrophobicContact CG-CD1 4.34Å |
| 282 | D | 83.3 | Confident | 90.1 | Very high | 57 Ų | 57 | 64.1 Ų | 64.1 | 31% | 0.305 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | 47.6 | -175.5 | -69.2 | -18.3 | 0 | 0 | 0 | 113.2 | L284 | D282-L284 WeakPolarHBondContact O-CD1 3.49Å; D282-L284 PolarHBondContact O-N 3.02Å; D282-L284 VanDerWaalsContact O-N 3.08Å |
| 283 | H | 86.4 | Confident | 89.2 | Confident | 193 Ų | 193 | 68.8 Ų | 68.8 | 89% | 0.894 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 3.6 | 177.3 | -24.7 | -62.2 | 0 | 0 | 0 | 114.8 | Y281 | Y281-H283 PolarHBondContact O-N 3.45Š|
| 284 | L | 90.1 | Very high | 87.7 | Confident | 54 Ų | 54 | 71.8 Ų | 71.8 | 28% | 0.283 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 143.6 | 175.4 | -78.5 | 78.7 | 0 | 0 | 0 | 110.6 | N221 G280 Y281 D282 | N221-L284 WeakPolarHBondContact O-CD2 3.46Å; G280-L284 CarbonylContact C-O 3.59Å; G280-L284 WeakPolarHBondContact CA-O 3.35Å; Y281-L284 PolarHBondContact N-O 3.19Å; Y281-L284 PolarHBondContact O-N 3.27Å; D282-L284 WeakPolarHBondContact O-CD1 3.49Å; D282-L284 PolarHBondContact O-N 3.02Å; D282-L284 VanDerWaalsContact O-N 3.08Å |
| 285 | I | 92.6 | Very high | 85.8 | Confident | 111 Ų | 111 | 75.6 Ų | 75.6 | 57% | 0.569 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 116.3 | 173.8 | -61.2 | 175.8 | 0 | 0 | 0 | 108.1 | N221 | N221-I285 PolarHBondContact ND2-O 3.02Å |
| 286 | L | 92.9 | Very high | 83.6 | Confident | 1 Ų | 1 | 84 Ų | 84 | 1% | 0.005 | 46% | 0.457 | C | S | . | . | trans | -73.1 | 137.7 | -179.6 | -56 | -175.4 | 0 | 0 | 0 | 110.6 | N221 L222 L234 V276 G278 F279 Y281 | N221-L286 WeakPolarHBondContact O-CD2 3.35Å; L222-L286 HydrophobicContact CD2-CD1 4.39Å; L222-L286 HydrophobicContact CD2-CD2 3.68Å; L222-L286 HydrophobicContact CG-CD2 4.47Å; L234-L286 HydrophobicContact CD2-CD1 3.72Å; V276-L286 HydrophobicContact CG1-CB 4.49Å; V276-L286 HydrophobicContact CG1-CD1 4.09Å; G278-L286 PolarHBondContact N-O 2.87Å; F279-L286 PolarHBondContact O-N 2.8Å; Y281-L286 HydrophobicContact CG-CD1 4.34Å | ||
| 287 | N | 92.9 | Very high | 83.2 | Confident | 56 Ų | 56 | 88 Ų | 88 | 30% | 0.299 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127.3 | 168.3 | 177.4 | 28.6 | 0 | 0 | 0 | 110 | T220 E289 | T220-N287 PolarHBondContact N-O 3.33Å; T220-N287 PolarHBondContact O-N 3.18Å; T220-N287 VanDerWaalsContact O-N 3.1Å; T220-N287 WeakPolarHBondContact OG1-CB 3.49Å; T220-N287 PolarHBondContact OG1-O 3.47Å; N287-E289 PolarHBondContact ND2-OE1 2.89Å |
| 288 | V | 94.1 | Very high | 82.9 | Confident | 4 Ų | 4 | 89.6 Ų | 89.6 | 2% | 0.024 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.4 | -176.6 | -169.5 | 0 | 0 | 0 | 0 | 109.1 | I217 V219 F235 I273 V276 | I217-V288 HydrophobicContact CB-CG1 4.19Å; I217-V288 HydrophobicContact CD1-CG1 3.74Å; I217-V288 HydrophobicContact CG1-CG1 4.45Å; V219-V288 HydrophobicContact CG1-CG2 4.32Å; V219-V288 HydrophobicContact CG2-CG1 4.29Å; V219-V288 HydrophobicContact CG2-CG2 4.37Å; F235-V288 HydrophobicContact CZ-CG2 4.33Å; I273-V288 HydrophobicContact CG1-CG1 3.82Å; V276-V288 HydrophobicContact CB-CG2 3.98Å; V276-V288 HydrophobicContact CG1-CG2 3.74Å |
| 289 | E | 93.6 | Very high | 82.6 | Confident | 82 Ų | 82 | 91.8 Ų | 91.8 | 38% | 0.383 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 163.9 | -178.7 | -66.9 | 177.2 | 166.1 | 0 | 0 | 110.7 | I217 R218 N287 A291 | I217-E289 CarbonylContact C-O 3.58Å; I217-E289 WeakPolarHBondContact CA-O 3.47Å; R218-E289 IonicContact CZ-OE2 2.74Å; R218-E289 PolarHBondContact N-O 2.84Å; R218-E289 IonicContact NH2-OE2 3.38Å; R218-E289 PolarHBondContact NH2-OE2 3.47Å; R218-E289 PolarHBondContact O-N 2.87Å; N287-E289 PolarHBondContact ND2-OE1 2.89Å; E289-A291 PolarHBondContact O-N 2.93Å |
| 290 | W | 92.8 | Very high | 82.3 | Confident | 105 Ų | 105 | 91.2 Ų | 91.2 | 40% | 0.398 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 135.5 | 168.7 | -69.9 | 105.5 | 0 | 0 | 0 | 110.8 | I217 R266 A269 A270 I273 | I217-W290 HydrophobicContact CG2-CE3 4.41Å; I217-W290 HydrophobicContact CG2-CZ3 4.38Å; R266-W290 HydrophobicContact CG-CH2 3.78Å; R266-W290 HydrophobicContact CG-CZ3 4.16Å; A269-W290 HydrophobicContact CB-CH2 3.77Å; A269-W290 HydrophobicContact CB-CZ3 3.74Å; A270-W290 HydrophobicContact CB-CH2 4.18Å; A270-W290 HydrophobicContact CB-CZ2 3.88Å; I273-W290 HydrophobicContact CD1-CD2 3.52Å; I273-W290 HydrophobicContact CD1-CE3 4.04Å; I273-W290 HydrophobicContact CD1-CG 3.91Å; I273-W290 HydrophobicContact CD1-CH2 4.12Å; I273-W290 HydrophobicContact CD1-CZ2 3.62Å; I273-W290 HydrophobicContact CD1-CZ3 4.31Å |
| 291 | A | 89.1 | Confident | 81.8 | Confident | 20 Ų | 20 | 93.8 Ų | 93.8 | 17% | 0.165 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -70 | 137.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | T216 R218 F260 E289 | T216-A291 HydrophobicContact CG2-CB 3.66Å; T216-A291 WeakPolarHBondContact O-CB 3.21Å; T216-A291 PolarHBondContact O-N 3.45Å; R218-A291 HydrophobicContact CB-CB 4.33Å; F260-A291 HydrophobicContact CD1-CB 3.89Å; F260-A291 HydrophobicContact CE1-CB 4.07Å; E289-A291 PolarHBondContact O-N 2.93Å |
| 292 | K | 84.6 | Confident | 81.4 | Confident | 183 Ų | 183 | 96.1 Ų | 96.1 | 80% | 0.796 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -70 | 135.4 | 169.1 | -66.1 | -178.7 | -179.1 | 178.5 | 0 | 107.7 | S294 | K292-S294 PolarHBondContact O-N 2.91Š|
| 293 | P | 72.4 | Confident | 81.3 | Confident | 97 Ų | 97 | 98.9 Ų | 98.9 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 131.9 | 176.6 | 23 | -31.9 | 0 | 0 | 0 | 108.7 | N295 | P293-N295 VanDerWaalsContact C-N 3.33Å; P293-N295 PolarHBondContact O-N 3.21Å |
| 294 | S | 61.6 | Low | 80.9 | Confident | 94 Ų | 94 | 91.7 Ų | 91.7 | 66% | 0.657 | 48% | 0.482 | S | S | * | . | trans | -70.9 | 92.6 | 177.9 | 179 | 0 | 0 | 0 | 0 | 108 | K292 N296 | K292-S294 PolarHBondContact O-N 2.91Å; S294-N296 VanDerWaalsContact C-N 3.3Å; S294-N296 PolarHBondContact O-N 2.95Å | ||
| 295 | N | 54.1 | Low | 80.1 | Confident | 165 Ų | 165 | 94.8 Ų | 94.8 | 88% | 0.882 | 50% | 0.499 | S | S | * | . | trans | -66.4 | 96.2 | 165.5 | -101.9 | 8.3 | 0 | 0 | 0 | 107.5 | P293 | P293-N295 VanDerWaalsContact C-N 3.33Å; P293-N295 PolarHBondContact O-N 3.21Å | ||
| 296 | N | 41.1 | Very low | 79 | Confident | 220 Ų | 220 | 93.4 Ų | 93.4 | 100% | 1.176 | 49% | 0.492 | S | S | * | . | trans | -98.4 | 0 | 165 | -166.4 | 51.5 | 0 | 0 | 0 | 108.9 | S294 | S294-N296 VanDerWaalsContact C-N 3.3Å; S294-N296 PolarHBondContact O-N 2.95Å |
Retrieved 296 of 296 residues in 553.4 ms
(Link to these results)