| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.4 | Very low | 36 | Very low | 234 Ų | 234 | 149.9 Ų | 149.9 | 100% | 1.153 | 85% | 0.851 | S | S | * | * | 0 | 112.6 | 0 | -60.1 | -177.6 | 79.7 | 0 | 0 | 104.9 | |||||
| 2 | S | 37.9 | Very low | 36 | Very low | 93 Ų | 93 | 147.3 Ų | 147.3 | 65% | 0.65 | 84% | 0.841 | S | S | * | * | cis | -158.5 | 140 | 14.2 | -57.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 3 | E | 40.8 | Very low | 36 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 86% | 0.864 | 84% | 0.835 | S | S | * | * | 48.3 | 110.6 | 116.2 | -59.9 | -174.8 | 134.9 | 0 | 0 | 115.5 | |||||
| 4 | E | 37.4 | Very low | 36.1 | Very low | 204 Ų | 204 | 140.3 Ų | 140.3 | 95% | 0.953 | 83% | 0.834 | S | S | * | * | trans | -141.3 | 123.6 | 139.1 | -78.3 | -161.6 | 137.5 | 0 | 0 | 109.8 | ||||
| 5 | E | 36.2 | Very low | 36.9 | Very low | 194 Ų | 194 | 135.3 Ų | 135.3 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | -72.7 | 151.1 | -174.6 | -97.5 | -173.6 | 103.6 | 0 | 0 | 113.9 | ||||
| 6 | Q | 37.7 | Very low | 37.8 | Very low | 193 Ų | 193 | 133.9 Ų | 133.9 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -73.3 | 125.1 | 162.5 | -70.1 | 169.1 | 22.6 | 0 | 0 | 110.2 | ||||
| 7 | G | 30.8 | Very low | 39.1 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -130.7 | 86.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 8 | S | 34.8 | Very low | 41.1 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -105 | 95 | 164.1 | -170.3 | 0 | 0 | 0 | 0 | 108.4 | I10 | S8-I10 PolarHBondContact O-N 2.97Š| ||
| 9 | G | 30.1 | Very low | 42.9 | Very low | 70 Ų | 70 | 118.6 Ų | 118.6 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | trans | -70.6 | 109.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | T11 | G9-T11 PolarHBondContact O-N 3.07Š| ||
| 10 | I | 35.2 | Very low | 44.7 | Very low | 143 Ų | 143 | 118.8 Ų | 118.8 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | trans | -83.2 | 101 | 164.9 | -62.1 | 174.6 | 0 | 0 | 0 | 107.3 | S8 T12 | S8-I10 PolarHBondContact O-N 2.97Å; I10-T12 PolarHBondContact O-N 2.8Å; I10-T12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | T | 37.3 | Very low | 46.2 | Very low | 139 Ų | 139 | 118.9 Ų | 118.9 | 85% | 0.853 | 71% | 0.705 | S | S | * | * | trans | -72.3 | 89.9 | 166.4 | 46.2 | 0 | 0 | 0 | 0 | 109.2 | G9 G13 | G9-T11 PolarHBondContact O-N 3.07Å; T11-G13 PolarHBondContact O-N 2.98Å | ||
| 12 | T | 36.6 | Very low | 48 | Very low | 119 Ų | 119 | 108.3 Ų | 108.3 | 73% | 0.73 | 65% | 0.653 | S | S | * | * | trans | -87.3 | 97.2 | 163.9 | -45.2 | 0 | 0 | 0 | 0 | 108.5 | I10 C14 | I10-T12 PolarHBondContact O-N 2.8Å; I10-T12 VanDerWaalsContact O-N 3.11Å; T12-C14 PolarHBondContact O-N 3.03Å; T12-C14 VanDerWaalsContact O-N 3.11Å | ||
| 13 | G | 35.5 | Very low | 49.7 | Very low | 74 Ų | 74 | 105.6 Ų | 105.6 | 76% | 0.763 | 63% | 0.631 | S | S | * | * | trans | -55.3 | 113.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | T11 G15 | T11-G13 PolarHBondContact O-N 2.98Å; G13-G15 VanDerWaalsContact C-N 3.35Å; G13-G15 PolarHBondContact O-N 3.38Å | ||
| 14 | C | 37.9 | Very low | 51.2 | Low | 122 Ų | 122 | 100.6 Ų | 100.6 | 82% | 0.824 | 62% | 0.622 | S | S | * | * | trans | -80.3 | 83.2 | 178 | -161.9 | 0 | 0 | 0 | 0 | 109.1 | T12 L16 | T12-C14 PolarHBondContact O-N 3.03Å; T12-C14 VanDerWaalsContact O-N 3.11Å; C14-L16 PolarHBondContact O-N 3.03Å | ||
| 15 | G | 48.1 | Very low | 53 | Low | 65 Ų | 65 | 94.3 Ų | 94.3 | 67% | 0.67 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 122.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | G13 | G13-G15 VanDerWaalsContact C-N 3.35Å; G13-G15 PolarHBondContact O-N 3.38Å |
| 16 | L | 50.9 | Low | 54.9 | Low | 114 Ų | 114 | 87.6 Ų | 87.6 | 60% | 0.597 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 123.6 | 174.1 | -76.1 | 166.9 | 0 | 0 | 0 | 108.5 | C14 S18 R41 | C14-L16 PolarHBondContact O-N 3.03Å; L16-S18 PolarHBondContact O-N 2.76Å; L16-R41 HydrophobicContact CD2-CB 4.22Å |
| 17 | P | 61.1 | Low | 56.4 | Low | 38 Ų | 38 | 84.3 Ų | 84.3 | 25% | 0.247 | 57% | 0.57 | C | S | . | * | P | Polyproline II helix | trans | -61.1 | 135.2 | 177 | 24.3 | -31.6 | 0 | 0 | 0 | 108.7 | Q21 M22 | P17-Q21 HydrophobicContact CB-CB 4.46Å; P17-M22 HydrophobicContact CB-CG 4.26Å; P17-M22 HydrophobicContact CG-CG 4.03Å; P17-M22 HydrophobicContact CG-SD 4.26Å |
| 18 | S | 74 | Confident | 58.6 | Low | 58 Ų | 58 | 83.8 Ų | 83.8 | 41% | 0.406 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 143.5 | 175.7 | 176.2 | 0 | 0 | 0 | 0 | 109.4 | L16 E20 Q21 M22 | L16-S18 PolarHBondContact O-N 2.76Å; S18-E20 PolarHBondContact O-N 2.91Å; S18-Q21 WeakPolarHBondContact O-CA 3.49Å; S18-Q21 WeakPolarHBondContact O-CB 3.21Å; S18-Q21 PolarHBondContact O-N 3Å; S18-M22 PolarHBondContact O-N 2.88Å; S18-M22 VanDerWaalsContact O-N 3.16Å |
| 19 | I | 75.9 | Confident | 60.9 | Low | 14 Ų | 14 | 82.1 Ų | 82.1 | 7% | 0.072 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -53.8 | -29.7 | 178.7 | -169.4 | 168.6 | 0 | 0 | 0 | 111.7 | M22 L23 Y38 L92 L95 K96 | I19-M22 PolarHBondContact O-N 3.11Å; I19-L23 HydrophobicContact CG1-CD1 4.17Å; I19-L23 WeakPolarHBondContact O-CD1 3.44Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.32Å; I19-L23 PolarHBondContact O-N 2.67Å; I19-Y38 HydrophobicContact CB-CD2 4.21Å; I19-Y38 HydrophobicContact CB-CE2 3.9Å; I19-Y38 HydrophobicContact CD1-CD1 4.3Å; I19-Y38 HydrophobicContact CD1-CD2 4.15Å; I19-Y38 HydrophobicContact CD1-CE1 4.2Å; I19-Y38 HydrophobicContact CD1-CE2 4.07Å; I19-Y38 HydrophobicContact CD1-CG 4.27Å; I19-Y38 HydrophobicContact CG1-CD2 4.06Å; I19-Y38 HydrophobicContact CG1-CE2 4.13Å; I19-L92 HydrophobicContact CD1-CD2 3.94Å; I19-L92 HydrophobicContact CG1-CD2 4.49Å; I19-L95 HydrophobicContact CD1-CB 3.53Å; I19-K96 HydrophobicContact CG2-CB 4.32Å; I19-K96 HydrophobicContact CG2-CG 3.7Å |
| 20 | E | 77.8 | Confident | 63.7 | Low | 122 Ų | 122 | 81.8 Ų | 81.8 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.1 | -41.6 | 173.4 | -62 | -163.7 | 148 | 0 | 0 | 112.9 | S18 M22 L23 A24 K96 | S18-E20 PolarHBondContact O-N 2.91Å; E20-M22 VanDerWaalsContact C-N 3.34Å; E20-M22 PolarHBondContact O-N 3.42Å; E20-L23 PolarHBondContact O-N 3.37Å; E20-A24 WeakPolarHBondContact O-CB 3.48Å; E20-A24 PolarHBondContact O-N 3.37Å; E20-K96 HydrophobicContact CG-CG 4.49Å |
| 21 | Q | 77.3 | Confident | 66.4 | Low | 121 Ų | 121 | 76 Ų | 76 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.2 | -38.6 | 176.9 | -67.9 | 172.2 | -17.5 | 0 | 0 | 111.2 | P17 S18 L23 A24 A25 | P17-Q21 HydrophobicContact CB-CB 4.46Å; S18-Q21 WeakPolarHBondContact O-CA 3.49Å; S18-Q21 WeakPolarHBondContact O-CB 3.21Å; S18-Q21 PolarHBondContact O-N 3Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 2.81Å; Q21-A24 PolarHBondContact O-N 2.77Å; Q21-A25 WeakPolarHBondContact O-CB 3.44Å; Q21-A25 PolarHBondContact O-N 3.27Å |
| 22 | M | 74.1 | Confident | 69 | Low | 12 Ų | 12 | 71.2 Ų | 71.2 | 6% | 0.059 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 177.2 | -70.9 | -173.8 | 63 | 0 | 0 | 112.7 | P17 S18 I19 E20 N26 E37 Y38 | P17-M22 HydrophobicContact CB-CG 4.26Å; P17-M22 HydrophobicContact CG-CG 4.03Å; P17-M22 HydrophobicContact CG-SD 4.26Å; S18-M22 PolarHBondContact O-N 2.88Å; S18-M22 VanDerWaalsContact O-N 3.16Å; I19-M22 PolarHBondContact O-N 3.11Å; E20-M22 VanDerWaalsContact C-N 3.34Å; E20-M22 PolarHBondContact O-N 3.42Å; M22-N26 PolarHBondContact O-N 3.48Å; M22-N26 PolarHBondContact O-ND2 3.35Å; M22-E37 HydrophobicContact CE-CB 4.04Å; M22-E37 HydrophobicContact CE-CG 3.72Å; M22-E37 WeakPolarHBondContact CE-OE1 3.47Å; M22-Y38 HydrophobicContact SD-CD2 4.26Å |
| 23 | L | 74.3 | Confident | 71.5 | Confident | 37 Ų | 37 | 68 Ų | 68 | 19% | 0.194 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -73.6 | -37.3 | 178.1 | -69 | 166.6 | 0 | 0 | 0 | 112 | I19 E20 Q21 L34 L92 K96 | I19-L23 HydrophobicContact CG1-CD1 4.17Å; I19-L23 WeakPolarHBondContact O-CD1 3.44Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.32Å; I19-L23 PolarHBondContact O-N 2.67Å; E20-L23 PolarHBondContact O-N 3.37Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 2.81Å; L23-L34 HydrophobicContact CD2-CB 4.15Å; L23-L34 HydrophobicContact CD2-CD1 3.5Å; L23-L34 HydrophobicContact CD2-CD2 4.18Å; L23-L34 HydrophobicContact CD2-CG 4.13Å; L23-L92 HydrophobicContact CD2-CD1 4.23Å; L23-K96 HydrophobicContact CD1-CD 4.28Å |
| 24 | A | 73.4 | Confident | 74.2 | Confident | 80 Ų | 80 | 65.1 Ų | 65.1 | 66% | 0.661 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -68.9 | -36.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E20 Q21 N26 | E20-A24 WeakPolarHBondContact O-CB 3.48Å; E20-A24 PolarHBondContact O-N 3.37Å; Q21-A24 PolarHBondContact O-N 2.77Å; A24-N26 VanDerWaalsContact C-N 3.29Å; A24-N26 PolarHBondContact O-N 2.74Å |
| 25 | A | 74.4 | Confident | 76.7 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 59% | 0.587 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -72.9 | -16 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | Q21 | Q21-A25 WeakPolarHBondContact O-CB 3.44Å; Q21-A25 PolarHBondContact O-N 3.27Å |
| 26 | N | 75.2 | Confident | 78.8 | Confident | 53 Ų | 53 | 60 Ų | 60 | 28% | 0.283 | 36% | 0.364 | S | S | . | . | trans | -143.3 | 64.3 | -174.1 | -63.7 | -90.6 | 0 | 0 | 0 | 113.6 | M22 A24 G28 K29 L34 | M22-N26 PolarHBondContact O-N 3.48Å; M22-N26 PolarHBondContact O-ND2 3.35Å; A24-N26 VanDerWaalsContact C-N 3.29Å; A24-N26 PolarHBondContact O-N 2.74Å; N26-G28 PolarHBondContact O-N 3.37Å; N26-K29 HydrophobicContact CB-CB 4.43Å; N26-K29 HydrophobicContact CB-CD 3.8Å; N26-K29 HydrophobicContact CB-CG 4.07Å; N26-K29 PolarHBondContact O-N 3.42Å; N26-K29 WeakPolarHBondContact OD1-CE 3.49Å; N26-K29 PolarHBondContact OD1-NZ 2.88Å; N26-L34 HydrophobicContact CB-CD2 4.29Å | ||
| 27 | P | 70.6 | Confident | 80.7 | Confident | 124 Ų | 124 | 56.7 Ų | 56.7 | 81% | 0.805 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -12.1 | -177.3 | 26.5 | -34.9 | 0 | 0 | 0 | 114.4 | ||
| 28 | G | 75.7 | Confident | 81.9 | Confident | 71 Ų | 71 | 57 Ų | 57 | 73% | 0.732 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -7.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | N26 | N26-G28 PolarHBondContact O-N 3.37Š|
| 29 | K | 83.6 | Confident | 82.7 | Confident | 78 Ų | 78 | 54.2 Ų | 54.2 | 34% | 0.339 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -84.3 | 148.7 | -179.1 | -73.1 | -178.6 | -179.2 | 169.6 | 0 | 110.8 | N26 L34 E37 | N26-K29 HydrophobicContact CB-CB 4.43Å; N26-K29 HydrophobicContact CB-CD 3.8Å; N26-K29 HydrophobicContact CB-CG 4.07Å; N26-K29 PolarHBondContact O-N 3.42Å; N26-K29 WeakPolarHBondContact OD1-CE 3.49Å; N26-K29 PolarHBondContact OD1-NZ 2.88Å; K29-L34 HydrophobicContact CB-CD1 4.13Å; K29-L34 HydrophobicContact CB-CD2 4.1Å; K29-L34 HydrophobicContact CB-CG 3.85Å; K29-L34 HydrophobicContact CD-CD2 4.19Å; K29-E37 IonicContact NZ-OE2 2.74Å; K29-E37 PolarHBondContact NZ-OE2 2.84Å |
| 30 | T | 89.4 | Confident | 83.3 | Confident | 62 Ų | 62 | 57.3 Ų | 57.3 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | trans | -70.4 | 147.9 | 174.6 | 66.8 | 0 | 0 | 0 | 0 | 110.8 | I32 S33 L34 | T30-I32 PolarHBondContact O-N 3.29Å; T30-I32 VanDerWaalsContact O-N 3.12Å; T30-S33 WeakPolarHBondContact O-CA 3.43Å; T30-S33 WeakPolarHBondContact O-CB 2.84Å; T30-S33 PolarHBondContact O-N 2.82Å; T30-S33 PolarHBondContact OG1-N 2.92Å; T30-L34 PolarHBondContact O-N 2.88Å | ||
| 31 | P | 90.7 | Very high | 83.7 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -51.3 | -34.3 | 173.6 | -29.1 | 37.3 | 0 | 0 | 0 | 113.3 | L34 L35 H85 A88 E89 L92 | P31-L34 PolarHBondContact O-N 3.19Å; P31-L35 VanDerWaalsContact O-CB 3.25Å; P31-L35 WeakPolarHBondContact O-CB 3.46Å; P31-L35 PolarHBondContact O-N 2.92Å; P31-H85 WeakPolarHBondContact CD-CE1 3.5Å; P31-H85 WeakPolarHBondContact CG-NE2 3.34Å; P31-A88 HydrophobicContact CB-CB 4.11Å; P31-E89 HydrophobicContact CB-CB 4.39Å; P31-L92 HydrophobicContact CB-CD1 3.94Å |
| 32 | I | 91.9 | Very high | 84.1 | Confident | 40 Ų | 40 | 54 Ų | 54 | 21% | 0.205 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62 | -48.6 | 175.2 | -54.1 | 173.4 | 0 | 0 | 0 | 110.5 | T30 L34 L35 Q36 Y48 K84 H85 A88 | T30-I32 PolarHBondContact O-N 3.29Å; T30-I32 VanDerWaalsContact O-N 3.12Å; I32-L34 VanDerWaalsContact C-N 3.34Å; I32-L34 PolarHBondContact O-N 3.48Å; I32-L35 PolarHBondContact O-N 3.38Å; I32-Q36 WeakPolarHBondContact O-CB 3.45Å; I32-Q36 PolarHBondContact O-N 3.23Å; I32-Y48 HydrophobicContact CG2-CE2 4.36Å; I32-K84 HydrophobicContact CD1-CB 3.96Å; I32-H85 HydrophobicContact CD1-CB 4.12Å; I32-H85 HydrophobicContact CG1-CB 4.37Å; I32-A88 HydrophobicContact CG1-CB 4.02Å |
| 33 | S | 90.9 | Very high | 84.7 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 179 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | T30 E37 | T30-S33 WeakPolarHBondContact O-CA 3.43Å; T30-S33 WeakPolarHBondContact O-CB 2.84Å; T30-S33 PolarHBondContact O-N 2.82Å; T30-S33 PolarHBondContact OG1-N 2.92Å; S33-E37 WeakPolarHBondContact O-CB 3.42Å; S33-E37 PolarHBondContact O-N 3.11Å |
| 34 | L | 90.3 | Very high | 85.3 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.6 | -43.8 | 179.1 | -72.7 | 158.4 | 0 | 0 | 0 | 111.2 | L23 N26 K29 T30 P31 I32 Q36 E37 Y38 L92 | L23-L34 HydrophobicContact CD2-CB 4.15Å; L23-L34 HydrophobicContact CD2-CD1 3.5Å; L23-L34 HydrophobicContact CD2-CD2 4.18Å; L23-L34 HydrophobicContact CD2-CG 4.13Å; N26-L34 HydrophobicContact CB-CD2 4.29Å; K29-L34 HydrophobicContact CB-CD1 4.13Å; K29-L34 HydrophobicContact CB-CD2 4.1Å; K29-L34 HydrophobicContact CB-CG 3.85Å; K29-L34 HydrophobicContact CD-CD2 4.19Å; T30-L34 PolarHBondContact O-N 2.88Å; P31-L34 PolarHBondContact O-N 3.19Å; I32-L34 VanDerWaalsContact C-N 3.34Å; I32-L34 PolarHBondContact O-N 3.48Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-E37 PolarHBondContact O-N 3.39Å; L34-Y38 WeakPolarHBondContact O-CB 3.45Å; L34-Y38 PolarHBondContact O-N 3.12Å; L34-L92 HydrophobicContact CB-CD1 4.15Å |
| 35 | L | 90.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 176.2 | -169.5 | 67.9 | 0 | 0 | 0 | 111.8 | P31 I32 G39 P46 V66 V68 A88 A91 L92 L95 | P31-L35 VanDerWaalsContact O-CB 3.25Å; P31-L35 WeakPolarHBondContact O-CB 3.46Å; P31-L35 PolarHBondContact O-N 2.92Å; I32-L35 PolarHBondContact O-N 3.38Å; L35-G39 PolarHBondContact O-N 2.97Å; L35-P46 HydrophobicContact CD2-CB 4.06Å; L35-P46 HydrophobicContact CG-CB 4.15Å; L35-P46 HydrophobicContact CG-CG 4.34Å; L35-V66 HydrophobicContact CD2-CG1 4.47Å; L35-V66 HydrophobicContact CD2-CG2 3.73Å; L35-V68 HydrophobicContact CD1-CG2 4.08Å; L35-V68 HydrophobicContact CD2-CG2 3.98Å; L35-V68 HydrophobicContact CG-CG2 4.16Å; L35-A88 HydrophobicContact CD2-CB 3.97Å; L35-A91 HydrophobicContact CD1-CB 4.22Å; L35-A91 HydrophobicContact CD2-CB 3.86Å; L35-L92 HydrophobicContact CB-CD1 4.5Å; L35-L92 HydrophobicContact CB-CD2 4.04Å; L35-L92 HydrophobicContact CB-CG 4.16Å; L35-L92 HydrophobicContact CD1-CD2 3.58Å; L35-L92 HydrophobicContact CD1-CG 3.91Å; L35-L92 HydrophobicContact CG-CD2 4.44Å; L35-L95 HydrophobicContact CD1-CD1 3.5Å; L35-L95 VanDerWaalsContact CD1-CD1 3.5Å |
| 36 | Q | 92.2 | Very high | 87.1 | Confident | 79 Ų | 79 | 56.3 Ų | 56.3 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 173.6 | -174.3 | 66.8 | 43.2 | 0 | 0 | 111.6 | I32 L34 G39 T40 P46 | I32-Q36 WeakPolarHBondContact O-CB 3.45Å; I32-Q36 PolarHBondContact O-N 3.23Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; Q36-G39 PolarHBondContact O-N 3.38Å; Q36-T40 WeakPolarHBondContact O-CG2 3.2Å; Q36-T40 PolarHBondContact O-N 3.31Å; Q36-T40 PolarHBondContact O-OG1 2.62Å; Q36-P46 HydrophobicContact CB-CG 4.42Å |
| 37 | E | 90.3 | Very high | 88 | Confident | 45 Ų | 45 | 57.5 Ų | 57.5 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 179.2 | -167.3 | -176.1 | 149.8 | 0 | 0 | 111.1 | M22 K29 S33 L34 T40 R41 | M22-E37 HydrophobicContact CE-CB 4.04Å; M22-E37 HydrophobicContact CE-CG 3.72Å; M22-E37 WeakPolarHBondContact CE-OE1 3.47Å; K29-E37 IonicContact NZ-OE2 2.74Å; K29-E37 PolarHBondContact NZ-OE2 2.84Å; S33-E37 WeakPolarHBondContact O-CB 3.42Å; S33-E37 PolarHBondContact O-N 3.11Å; L34-E37 PolarHBondContact O-N 3.39Å; E37-T40 WeakPolarHBondContact CA-OG1 3.36Å; E37-T40 PolarHBondContact O-N 2.96Å; E37-T40 PolarHBondContact O-OG1 3.05Å; E37-R41 WeakPolarHBondContact O-CG 3.43Å; E37-R41 PolarHBondContact O-N 3.38Å; E37-R41 IonicContact OE1-CZ 3.69Å; E37-R41 IonicContact OE1-NE 2.74Å; E37-R41 IonicContact OE1-NH2 2.88Å; E37-R41 PolarHBondContact OE1-NH2 3.45Å |
| 38 | Y | 88 | Confident | 89.2 | Confident | 43 Ų | 43 | 53.6 Ų | 53.6 | 17% | 0.169 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.3 | -51.3 | 175.4 | 179.5 | -101.2 | 0 | 0 | 0 | 111.2 | I19 M22 L34 T40 R41 I42 L95 | I19-Y38 HydrophobicContact CB-CD2 4.21Å; I19-Y38 HydrophobicContact CB-CE2 3.9Å; I19-Y38 HydrophobicContact CD1-CD1 4.3Å; I19-Y38 HydrophobicContact CD1-CD2 4.15Å; I19-Y38 HydrophobicContact CD1-CE1 4.2Å; I19-Y38 HydrophobicContact CD1-CE2 4.07Å; I19-Y38 HydrophobicContact CD1-CG 4.27Å; I19-Y38 HydrophobicContact CG1-CD2 4.06Å; I19-Y38 HydrophobicContact CG1-CE2 4.13Å; M22-Y38 HydrophobicContact SD-CD2 4.26Å; L34-Y38 WeakPolarHBondContact O-CB 3.45Å; L34-Y38 PolarHBondContact O-N 3.12Å; Y38-T40 VanDerWaalsContact C-N 3.3Å; Y38-T40 PolarHBondContact O-N 3.28Å; Y38-R41 WeakPolarHBondContact O-CB 3.43Å; Y38-R41 PolarHBondContact O-N 2.92Å; Y38-I42 HydrophobicContact CD1-CD1 3.93Å; Y38-I42 HydrophobicContact CD1-CG1 4.32Å; Y38-I42 HydrophobicContact CE1-CD1 3.43Å; Y38-I42 VanDerWaalsContact CE1-CD1 3.43Å; Y38-I42 HydrophobicContact CE1-CG1 4.15Å; Y38-I42 HydrophobicContact CE1-CG2 4.17Å; Y38-I42 HydrophobicContact CE2-CG2 4.01Å; Y38-I42 WeakPolarHBondContact O-CG1 3.34Å; Y38-I42 PolarHBondContact O-N 3.38Å; Y38-L95 HydrophobicContact CD1-CD1 4.02Å; Y38-L95 HydrophobicContact CE1-CB 4.35Å; Y38-L95 HydrophobicContact CE1-CD1 3.83Å; Y38-L95 HydrophobicContact CE1-CD2 4.16Å; Y38-L95 HydrophobicContact CE1-CG 4.34Å |
| 39 | G | 89.3 | Confident | 90.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.1 | -39.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L35 Q36 R41 I42 G43 K44 | L35-G39 PolarHBondContact O-N 2.97Å; Q36-G39 PolarHBondContact O-N 3.38Å; G39-R41 VanDerWaalsContact C-N 3.33Å; G39-R41 PolarHBondContact O-N 2.92Å; G39-I42 PolarHBondContact O-N 3.37Å; G39-G43 CarbonylContact O-C 3.59Å; G39-G43 PolarHBondContact O-N 2.87Å; G39-G43 VanDerWaalsContact O-N 3.08Å; G39-K44 CarbonylContact C-O 3.47Å; G39-K44 WeakPolarHBondContact CA-O 3.49Å; G39-K44 CarbonylContact O-C 3.54Å; G39-K44 PolarHBondContact O-N 2.87Å |
| 40 | T | 89.1 | Confident | 90.9 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66 | -32.5 | 174.8 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | Q36 E37 Y38 T45 | Q36-T40 WeakPolarHBondContact O-CG2 3.2Å; Q36-T40 PolarHBondContact O-N 3.31Å; Q36-T40 PolarHBondContact O-OG1 2.62Å; E37-T40 WeakPolarHBondContact CA-OG1 3.36Å; E37-T40 PolarHBondContact O-N 2.96Å; E37-T40 PolarHBondContact O-OG1 3.05Å; Y38-T40 VanDerWaalsContact C-N 3.3Å; Y38-T40 PolarHBondContact O-N 3.28Å; T40-T45 HydrophobicContact CG2-CG2 4.02Å |
| 41 | R | 85.8 | Confident | 91.2 | Very high | 121 Ų | 121 | 54 Ų | 54 | 46% | 0.457 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -75.7 | -35.1 | 177.7 | -68.8 | -176.1 | -171.7 | -136.7 | 8.6 | 112.8 | L16 E37 Y38 G39 G43 | L16-R41 HydrophobicContact CD2-CB 4.22Å; E37-R41 WeakPolarHBondContact O-CG 3.43Å; E37-R41 PolarHBondContact O-N 3.38Å; E37-R41 IonicContact OE1-CZ 3.69Å; E37-R41 IonicContact OE1-NE 2.74Å; E37-R41 IonicContact OE1-NH2 2.88Å; E37-R41 PolarHBondContact OE1-NH2 3.45Å; Y38-R41 WeakPolarHBondContact O-CB 3.43Å; Y38-R41 PolarHBondContact O-N 2.92Å; G39-R41 VanDerWaalsContact C-N 3.33Å; G39-R41 PolarHBondContact O-N 2.92Å; R41-G43 VanDerWaalsContact C-N 3.33Å |
| 42 | I | 85.3 | Confident | 91.4 | Very high | 52 Ų | 52 | 57.8 Ų | 57.8 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 2.2 | 177.9 | 64.1 | 161.8 | 0 | 0 | 0 | 113.4 | Y38 G39 K44 V68 | Y38-I42 HydrophobicContact CD1-CD1 3.93Å; Y38-I42 HydrophobicContact CD1-CG1 4.32Å; Y38-I42 HydrophobicContact CE1-CD1 3.43Å; Y38-I42 VanDerWaalsContact CE1-CD1 3.43Å; Y38-I42 HydrophobicContact CE1-CG1 4.15Å; Y38-I42 HydrophobicContact CE1-CG2 4.17Å; Y38-I42 HydrophobicContact CE2-CG2 4.01Å; Y38-I42 WeakPolarHBondContact O-CG1 3.34Å; Y38-I42 PolarHBondContact O-N 3.38Å; G39-I42 PolarHBondContact O-N 3.37Å; I42-K44 HydrophobicContact CD1-CB 3.76Å; I42-K44 HydrophobicContact CD1-CD 4.17Å; I42-K44 HydrophobicContact CD1-CG 4.36Å; I42-K44 HydrophobicContact CG1-CB 3.95Å; I42-K44 PolarHBondContact O-N 3.38Å; I42-V68 HydrophobicContact CD1-CG1 4.27Å |
| 43 | G | 86.8 | Confident | 91.5 | Very high | 67 Ų | 67 | 59 Ų | 59 | 69% | 0.691 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 11.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G39 R41 | G39-G43 CarbonylContact O-C 3.59Å; G39-G43 PolarHBondContact O-N 2.87Å; G39-G43 VanDerWaalsContact O-N 3.08Å; R41-G43 VanDerWaalsContact C-N 3.33Å |
| 44 | K | 88.3 | Confident | 91.6 | Very high | 90 Ų | 90 | 60.2 Ų | 60.2 | 39% | 0.391 | 32% | 0.324 | S | S | . | . | trans | -118.8 | 81.1 | -179.5 | -67.6 | 174.8 | 161.7 | -165.2 | 0 | 108.8 | G39 I42 V68 D70 | G39-K44 CarbonylContact C-O 3.47Å; G39-K44 WeakPolarHBondContact CA-O 3.49Å; G39-K44 CarbonylContact O-C 3.54Å; G39-K44 PolarHBondContact O-N 2.87Å; I42-K44 HydrophobicContact CD1-CB 3.76Å; I42-K44 HydrophobicContact CD1-CD 4.17Å; I42-K44 HydrophobicContact CD1-CG 4.36Å; I42-K44 HydrophobicContact CG1-CB 3.95Å; I42-K44 PolarHBondContact O-N 3.38Å; K44-V68 HydrophobicContact CB-CG1 4.39Å; K44-D70 IonicContact NZ-OD2 2.78Å; K44-D70 PolarHBondContact NZ-OD2 3.05Å | ||
| 45 | T | 90.6 | Very high | 91.6 | Very high | 80 Ų | 80 | 62.3 Ų | 62.3 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 136.8 | -177.5 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | T40 V47 | T40-T45 HydrophobicContact CG2-CG2 4.02Å; T45-V47 PolarHBondContact O-N 3.44Å |
| 46 | P | 93.9 | Very high | 91.5 | Very high | 11 Ų | 11 | 68.3 Ų | 68.3 | 7% | 0.071 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 126.9 | -178.5 | 27.5 | -34.2 | 0 | 0 | 0 | 111.9 | L35 Q36 Y48 V66 T67 V68 | L35-P46 HydrophobicContact CD2-CB 4.06Å; L35-P46 HydrophobicContact CG-CB 4.15Å; L35-P46 HydrophobicContact CG-CG 4.34Å; Q36-P46 HydrophobicContact CB-CG 4.42Å; P46-Y48 HydrophobicContact CB-CE2 4.05Å; P46-Y48 HydrophobicContact CG-CE2 4.31Å; P46-V66 HydrophobicContact CB-CG2 3.86Å; P46-T67 CarbonylContact C-O 3.02Å; P46-T67 WeakPolarHBondContact CA-O 3.41Å; P46-V68 HydrophobicContact CB-CG2 3.78Å |
| 47 | V | 95.4 | Very high | 91.1 | Very high | 79 Ų | 79 | 69.8 Ų | 69.8 | 48% | 0.479 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 133.1 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | T45 V66 T67 | T45-V47 PolarHBondContact O-N 3.44Å; V47-V66 CarbonylContact O-C 3.34Å; V47-V66 VanDerWaalsContact O-CA 3.25Å; V47-V66 WeakPolarHBondContact O-CA 3.46Å; V47-T67 PolarHBondContact N-O 3.44Å; V47-T67 PolarHBondContact O-N 3.08Å |
| 48 | Y | 96.1 | Very high | 90.7 | Very high | 42 Ų | 42 | 72.3 Ų | 72.3 | 17% | 0.165 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 114.8 | -178.9 | -70.3 | -90.3 | 0 | 0 | 0 | 112 | I32 P46 R65 V66 K84 A88 | I32-Y48 HydrophobicContact CG2-CE2 4.36Å; P46-Y48 HydrophobicContact CB-CE2 4.05Å; P46-Y48 HydrophobicContact CG-CE2 4.31Å; Y48-R65 CarbonylContact C-O 3.01Å; Y48-R65 VanDerWaalsContact CA-O 3.31Å; Y48-R65 WeakPolarHBondContact CA-O 3.44Å; Y48-V66 HydrophobicContact CD1-CB 3.84Å; Y48-V66 HydrophobicContact CD1-CG2 3.91Å; Y48-V66 HydrophobicContact CD2-CG2 4.42Å; Y48-V66 HydrophobicContact CE1-CB 3.66Å; Y48-V66 HydrophobicContact CE1-CG2 3.52Å; Y48-V66 HydrophobicContact CE2-CG2 4.08Å; Y48-V66 HydrophobicContact CG-CG2 4.35Å; Y48-K84 HydrophobicContact CD1-CB 4.21Å; Y48-K84 HydrophobicContact CD1-CD 4.32Å; Y48-K84 HydrophobicContact CD1-CG 3.92Å; Y48-K84 HydrophobicContact CE1-CB 4.23Å; Y48-K84 HydrophobicContact CE1-CG 4.44Å; Y48-K84 HydrophobicContact CG-CD 4.42Å; Y48-K84 HydrophobicContact CG-CG 4.47Å; Y48-A88 HydrophobicContact CE1-CB 4.37Å; Y48-A88 WeakPolarHBondContact OH-CB 3.26Å |
| 49 | D | 96.8 | Very high | 90.6 | Very high | 56 Ų | 56 | 77.2 Ų | 77.2 | 30% | 0.299 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133.3 | 177.3 | -58.4 | -32.4 | 0 | 0 | 0 | 110.8 | L51 F64 R65 | D49-L51 PolarHBondContact O-N 3.29Å; D49-F64 CarbonylContact O-C 3.59Å; D49-F64 VanDerWaalsContact O-CA 3.31Å; D49-F64 WeakPolarHBondContact O-CA 3.11Å; D49-F64 VanDerWaalsContact O-CD1 3.27Å; D49-F64 WeakPolarHBondContact O-CD1 3.38Å; D49-R65 HydrophobicContact CB-CB 4.49Å; D49-R65 PolarHBondContact N-O 3.27Å; D49-R65 PolarHBondContact O-N 2.93Å; D49-R65 IonicContact OD2-CZ 2.82Å; D49-R65 IonicContact OD2-NE 2.8Å; D49-R65 IonicContact OD2-NH2 3.8Å; D49-R65 PolarHBondContact OD2-NH2 3.43Å |
| 50 | L | 96.9 | Very high | 90.7 | Very high | 77 Ų | 77 | 79.3 Ų | 79.3 | 40% | 0.403 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 108.3 | 168.6 | 176.7 | 65.3 | 0 | 0 | 0 | 108.3 | K52 A53 F62 F64 | L50-K52 WeakPolarHBondContact CD1-O 3.44Å; L50-A53 HydrophobicContact CD2-CB 4.4Å; L50-F62 HydrophobicContact CD1-CB 4.49Å; L50-F62 HydrophobicContact CD1-CD1 4.23Å; L50-F64 HydrophobicContact CB-CD1 4.44Å; L50-F64 HydrophobicContact CB-CE1 3.8Å; L50-F64 HydrophobicContact CB-CE2 4.33Å; L50-F64 HydrophobicContact CB-CZ 3.75Å; L50-F64 HydrophobicContact CD1-CD2 3.92Å; L50-F64 HydrophobicContact CD1-CE1 4.43Å; L50-F64 HydrophobicContact CD1-CE2 3.43Å; L50-F64 VanDerWaalsContact CD1-CE2 3.43Å; L50-F64 HydrophobicContact CD1-CZ 3.73Å; L50-F64 HydrophobicContact CG-CE2 4.41Å; L50-F64 HydrophobicContact CG-CZ 4.24Å |
| 51 | L | 96.3 | Very high | 91 | Very high | 85 Ų | 85 | 77.7 Ų | 77.7 | 45% | 0.445 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -43.5 | 179 | -65.6 | -176.1 | 0 | 0 | 0 | 112 | D49 T63 R65 T74 | D49-L51 PolarHBondContact O-N 3.29Å; L51-T63 HydrophobicContact CB-CG2 4.3Å; L51-T63 HydrophobicContact CD1-CG2 4.37Å; L51-T63 PolarHBondContact N-O 3.18Å; L51-R65 HydrophobicContact CD1-CB 3.76Å; L51-R65 HydrophobicContact CD2-CB 4.3Å; L51-R65 HydrophobicContact CG-CB 3.9Å; L51-T74 HydrophobicContact CD1-CG2 3.91Å |
| 52 | K | 94.2 | Very high | 91.5 | Very high | 102 Ų | 102 | 73.6 Ų | 73.6 | 44% | 0.443 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 136.1 | -172.4 | -151.5 | 173.5 | -172.9 | -158.5 | 0 | 110.9 | L50 E54 F62 T63 | L50-K52 WeakPolarHBondContact CD1-O 3.44Å; K52-E54 HydrophobicContact CD-CG 4.26Å; K52-E54 VanDerWaalsContact CD-OE1 3.22Å; K52-E54 WeakPolarHBondContact CD-OE1 3.44Å; K52-E54 WeakPolarHBondContact CE-OE1 3.42Å; K52-E54 WeakPolarHBondContact CE-OE2 3.4Å; K52-E54 HydrophobicContact CG-CB 4.45Å; K52-E54 HydrophobicContact CG-CG 4.25Å; K52-E54 IonicContact NZ-OE1 3.53Å; K52-E54 PolarHBondContact NZ-OE1 2.88Å; K52-E54 IonicContact NZ-OE2 2.86Å; K52-E54 PolarHBondContact NZ-OE2 3.25Å; K52-F62 CarbonylContact O-C 3.13Å; K52-F62 WeakPolarHBondContact O-CA 3.35Å; K52-T63 PolarHBondContact N-O 3.45Å; K52-T63 PolarHBondContact O-N 3.17Å |
| 53 | A | 94.9 | Very high | 92.1 | Very high | 65 Ų | 65 | 71.6 Ų | 71.6 | 54% | 0.537 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 99.3 | 170 | 0 | 0 | 0 | 0 | 0 | 107.2 | L50 F62 | L50-A53 HydrophobicContact CD2-CB 4.4Å; A53-F62 HydrophobicContact CB-CD1 3.81Å; A53-F62 HydrophobicContact CB-CE1 3.89Å |
| 54 | E | 92.2 | Very high | 92.6 | Very high | 78 Ų | 78 | 68.8 Ų | 68.8 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | -176.8 | -174.4 | 67.8 | 179.4 | 157.8 | 0 | 0 | 110.6 | K52 P60 N61 | K52-E54 HydrophobicContact CD-CG 4.26Å; K52-E54 VanDerWaalsContact CD-OE1 3.22Å; K52-E54 WeakPolarHBondContact CD-OE1 3.44Å; K52-E54 WeakPolarHBondContact CE-OE1 3.42Å; K52-E54 WeakPolarHBondContact CE-OE2 3.4Å; K52-E54 HydrophobicContact CG-CB 4.45Å; K52-E54 HydrophobicContact CG-CG 4.25Å; K52-E54 IonicContact NZ-OE1 3.53Å; K52-E54 PolarHBondContact NZ-OE1 2.88Å; K52-E54 IonicContact NZ-OE2 2.86Å; K52-E54 PolarHBondContact NZ-OE2 3.25Å; E54-P60 CarbonylContact O-C 3.55Å; E54-N61 HydrophobicContact CG-CB 4.31Å; E54-N61 PolarHBondContact N-O 3.24Å; E54-N61 PolarHBondContact O-N 3.21Å; E54-N61 VanDerWaalsContact O-O 3.09Å |
| 55 | G | 90.3 | Very high | 93 | Very high | 56 Ų | 56 | 68.8 Ų | 68.8 | 58% | 0.577 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 95.3 | 167.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 56 | Q | 88.9 | Confident | 93.3 | Very high | 127 Ų | 127 | 65 Ų | 65 | 59% | 0.593 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 154.8 | -177.8 | -65.5 | 178.3 | -25.5 | 0 | 0 | 110 | H58 Q59 P60 | Q56-H58 PolarHBondContact O-N 2.92Å; Q56-H58 PolarHBondContact OE1-CE1 2.85Å; Q56-H58 PolarHBondContact OE1-NE2 2.84Å; Q56-Q59 PolarHBondContact N-O 2.97Å; Q56-Q59 CarbonylContact O-C 3.59Å; Q56-Q59 WeakPolarHBondContact O-CA 3.38Å; Q56-Q59 PolarHBondContact O-N 2.87Å; Q56-P60 VanDerWaalsContact O-N 3.13Å |
| 57 | A | 83.7 | Confident | 93.4 | Very high | 109 Ų | 109 | 66.4 Ų | 66.4 | 90% | 0.901 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -29.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 58 | H | 81.3 | Confident | 93.2 | Very high | 99 Ų | 99 | 62.9 Ų | 62.9 | 46% | 0.458 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -13.7 | 177.4 | 63.1 | -105.3 | 0 | 0 | 0 | 114.3 | Q56 Q155 | Q56-H58 PolarHBondContact O-N 2.92Å; Q56-H58 PolarHBondContact OE1-CE1 2.85Å; Q56-H58 PolarHBondContact OE1-NE2 2.84Å; H58-Q155 VanDerWaalsContact CB-OE1 3.31Å; H58-Q155 PolarHBondContact CD2-NE2 2.83Å; H58-Q155 PolarHBondContact CE1-NE2 3.22Å; H58-Q155 PolarHBondContact ND1-NE2 2.81Å; H58-Q155 PolarHBondContact NE2-NE2 3.04Å |
| 59 | Q | 86.3 | Confident | 92.8 | Very high | 145 Ų | 145 | 62.4 Ų | 62.4 | 68% | 0.678 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 70.3 | 177.6 | -169.2 | 177.6 | 85.3 | 0 | 0 | 109.8 | Q56 | Q56-Q59 PolarHBondContact N-O 2.97Å; Q56-Q59 CarbonylContact O-C 3.59Å; Q56-Q59 WeakPolarHBondContact O-CA 3.38Å; Q56-Q59 PolarHBondContact O-N 2.87Å |
| 60 | P | 92 | Very high | 92.3 | Very high | 45 Ų | 45 | 66.6 Ų | 66.6 | 29% | 0.292 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 148.7 | 179.2 | 31.6 | -35.5 | 0 | 0 | 0 | 110.6 | E54 Q56 F62 P78 | E54-P60 CarbonylContact O-C 3.55Å; Q56-P60 VanDerWaalsContact O-N 3.13Å; P60-F62 HydrophobicContact CB-CD2 4.5Å; P60-F62 HydrophobicContact CB-CE2 3.67Å; P60-F62 HydrophobicContact CB-CZ 4.01Å; P60-F62 HydrophobicContact CG-CE2 3.96Å; P60-P78 VanDerWaalsContact O-CA 3.29Å; P60-P78 WeakPolarHBondContact O-CA 3.45Å |
| 61 | N | 95.2 | Very high | 91.9 | Very high | 45 Ų | 45 | 65.5 Ų | 65.5 | 24% | 0.241 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.3 | 172.7 | -171.7 | 17.9 | 0 | 0 | 0 | 109.9 | E54 | E54-N61 HydrophobicContact CG-CB 4.31Å; E54-N61 PolarHBondContact N-O 3.24Å; E54-N61 PolarHBondContact O-N 3.21Å; E54-N61 VanDerWaalsContact O-O 3.09Å |
| 62 | F | 97.1 | Very high | 91.7 | Very high | 35 Ų | 35 | 64.8 Ų | 64.8 | 15% | 0.154 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 133.5 | 178.7 | -60.2 | -86.3 | 0 | 0 | 0 | 109.6 | L50 K52 A53 P60 Q76 G77 K80 A83 | L50-F62 HydrophobicContact CD1-CB 4.49Å; L50-F62 HydrophobicContact CD1-CD1 4.23Å; K52-F62 CarbonylContact O-C 3.13Å; K52-F62 WeakPolarHBondContact O-CA 3.35Å; A53-F62 HydrophobicContact CB-CD1 3.81Å; A53-F62 HydrophobicContact CB-CE1 3.89Å; P60-F62 HydrophobicContact CB-CD2 4.5Å; P60-F62 HydrophobicContact CB-CE2 3.67Å; P60-F62 HydrophobicContact CB-CZ 4.01Å; P60-F62 HydrophobicContact CG-CE2 3.96Å; F62-Q76 CarbonylContact O-C 3.46Å; F62-Q76 VanDerWaalsContact O-CA 3.24Å; F62-Q76 WeakPolarHBondContact O-CA 3.39Å; F62-G77 PolarHBondContact N-O 2.65Å; F62-G77 PolarHBondContact O-N 3.16Å; F62-K80 HydrophobicContact CD1-CG 3.77Å; F62-K80 HydrophobicContact CE1-CG 3.93Å; F62-K80 HydrophobicContact CG-CG 4.07Å; F62-K80 HydrophobicContact CZ-CG 4.36Å; F62-A83 HydrophobicContact CB-CB 3.97Å; F62-A83 WeakPolarHBondContact O-CB 3.39Å |
| 63 | T | 96.6 | Very high | 91.8 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.4 | 172.5 | -55.3 | 0 | 0 | 0 | 0 | 109.1 | L51 K52 Q76 | L51-T63 HydrophobicContact CB-CG2 4.3Å; L51-T63 HydrophobicContact CD1-CG2 4.37Å; L51-T63 PolarHBondContact N-O 3.18Å; K52-T63 PolarHBondContact N-O 3.45Å; K52-T63 PolarHBondContact O-N 3.17Å; T63-Q76 HydrophobicContact CG2-CG 3.93Å; T63-Q76 WeakPolarHBondContact OG1-CG 3.41Å; T63-Q76 PolarHBondContact OG1-NE2 3.13Å |
| 64 | F | 97.8 | Very high | 91.8 | Very high | 9 Ų | 9 | 61.2 Ų | 61.2 | 4% | 0.039 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.8 | 173.1 | -90.3 | -92 | 0 | 0 | 0 | 110.6 | D49 L50 T74 G75 K80 A83 K84 | D49-F64 CarbonylContact O-C 3.59Å; D49-F64 VanDerWaalsContact O-CA 3.31Å; D49-F64 WeakPolarHBondContact O-CA 3.11Å; D49-F64 VanDerWaalsContact O-CD1 3.27Å; D49-F64 WeakPolarHBondContact O-CD1 3.38Å; L50-F64 HydrophobicContact CB-CD1 4.44Å; L50-F64 HydrophobicContact CB-CE1 3.8Å; L50-F64 HydrophobicContact CB-CE2 4.33Å; L50-F64 HydrophobicContact CB-CZ 3.75Å; L50-F64 HydrophobicContact CD1-CD2 3.92Å; L50-F64 HydrophobicContact CD1-CE1 4.43Å; L50-F64 HydrophobicContact CD1-CE2 3.43Å; L50-F64 VanDerWaalsContact CD1-CE2 3.43Å; L50-F64 HydrophobicContact CD1-CZ 3.73Å; L50-F64 HydrophobicContact CG-CE2 4.41Å; L50-F64 HydrophobicContact CG-CZ 4.24Å; F64-T74 CarbonylContact O-C 3.52Å; F64-T74 VanDerWaalsContact O-CA 3.28Å; F64-T74 WeakPolarHBondContact O-CA 3.45Å; F64-G75 PolarHBondContact N-O 3.44Å; F64-G75 PolarHBondContact O-N 3.4Å; F64-K80 HydrophobicContact CE2-CB 3.82Å; F64-K80 HydrophobicContact CE2-CG 4.02Å; F64-K80 HydrophobicContact CZ-CB 4.24Å; F64-K80 HydrophobicContact CZ-CG 4.41Å; F64-A83 HydrophobicContact CB-CB 4.36Å; F64-A83 HydrophobicContact CD2-CB 3.71Å; F64-A83 HydrophobicContact CG-CB 4.48Å; F64-K84 HydrophobicContact CB-CG 4.15Å; F64-K84 HydrophobicContact CD1-CD 4.23Å; F64-K84 HydrophobicContact CD1-CG 3.55Å; F64-K84 HydrophobicContact CD2-CG 3.94Å; F64-K84 HydrophobicContact CE1-CD 4.12Å; F64-K84 HydrophobicContact CE1-CG 3.89Å; F64-K84 HydrophobicContact CE2-CG 4.2Å; F64-K84 HydrophobicContact CG-CG 3.58Å; F64-K84 HydrophobicContact CZ-CD 4.4Å; F64-K84 VanDerWaalsContact CZ-CE 3.46Å; F64-K84 HydrophobicContact CZ-CG 4.18Å |
| 65 | R | 96.8 | Very high | 92 | Very high | 90 Ų | 90 | 57.7 Ų | 57.7 | 34% | 0.34 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137.4 | 164.6 | -174.5 | 174.3 | 61.5 | -166.1 | -0.7 | 109.1 | Y48 D49 L51 C73 T74 | Y48-R65 CarbonylContact C-O 3.01Å; Y48-R65 VanDerWaalsContact CA-O 3.31Å; Y48-R65 WeakPolarHBondContact CA-O 3.44Å; D49-R65 HydrophobicContact CB-CB 4.49Å; D49-R65 PolarHBondContact N-O 3.27Å; D49-R65 PolarHBondContact O-N 2.93Å; D49-R65 IonicContact OD2-CZ 2.82Å; D49-R65 IonicContact OD2-NE 2.8Å; D49-R65 IonicContact OD2-NH2 3.8Å; D49-R65 PolarHBondContact OD2-NH2 3.43Å; L51-R65 HydrophobicContact CD1-CB 3.76Å; L51-R65 HydrophobicContact CD2-CB 4.3Å; L51-R65 HydrophobicContact CG-CB 3.9Å; R65-C73 CarbonylContact C-O 3.58Å; R65-C73 WeakPolarHBondContact CA-O 3.3Å; R65-T74 HydrophobicContact CB-CG2 4.1Å; R65-T74 HydrophobicContact CG-CG2 4.15Å |
| 66 | V | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 134.8 | 167.6 | 67 | 0 | 0 | 0 | 0 | 109 | L35 P46 V47 Y48 V68 S72 C73 A87 A91 | L35-V66 HydrophobicContact CD2-CG1 4.47Å; L35-V66 HydrophobicContact CD2-CG2 3.73Å; P46-V66 HydrophobicContact CB-CG2 3.86Å; V47-V66 CarbonylContact O-C 3.34Å; V47-V66 VanDerWaalsContact O-CA 3.25Å; V47-V66 WeakPolarHBondContact O-CA 3.46Å; Y48-V66 HydrophobicContact CD1-CB 3.84Å; Y48-V66 HydrophobicContact CD1-CG2 3.91Å; Y48-V66 HydrophobicContact CD2-CG2 4.42Å; Y48-V66 HydrophobicContact CE1-CB 3.66Å; Y48-V66 HydrophobicContact CE1-CG2 3.52Å; Y48-V66 HydrophobicContact CE2-CG2 4.08Å; Y48-V66 HydrophobicContact CG-CG2 4.35Å; V66-V68 HydrophobicContact CG2-CG2 4.18Å; V66-S72 CarbonylContact O-C 3.54Å; V66-S72 VanDerWaalsContact O-CA 3.27Å; V66-S72 WeakPolarHBondContact O-CA 3.5Å; V66-C73 HydrophobicContact CG1-CB 4.08Å; V66-C73 PolarHBondContact N-O 2.98Å; V66-C73 PolarHBondContact O-N 2.92Å; V66-A87 HydrophobicContact CB-CB 4.22Å; V66-A87 HydrophobicContact CG1-CB 3.94Å; V66-A87 VanDerWaalsContact CG1-O 3.3Å; V66-A87 WeakPolarHBondContact CG1-O 3.43Å; V66-A91 HydrophobicContact CG1-CB 3.63Å |
| 67 | T | 95 | Very high | 92.6 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125.2 | 178.4 | -53 | 0 | 0 | 0 | 0 | 108.9 | P46 V47 | P46-T67 CarbonylContact C-O 3.02Å; P46-T67 WeakPolarHBondContact CA-O 3.41Å; V47-T67 PolarHBondContact N-O 3.44Å; V47-T67 PolarHBondContact O-N 3.08Å |
| 68 | V | 92.3 | Very high | 93 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.024 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 96 | -178.9 | -172.8 | 0 | 0 | 0 | 0 | 108.7 | L35 I42 K44 P46 V66 D70 T71 L95 | L35-V68 HydrophobicContact CD1-CG2 4.08Å; L35-V68 HydrophobicContact CD2-CG2 3.98Å; L35-V68 HydrophobicContact CG-CG2 4.16Å; I42-V68 HydrophobicContact CD1-CG1 4.27Å; K44-V68 HydrophobicContact CB-CG1 4.39Å; P46-V68 HydrophobicContact CB-CG2 3.78Å; V66-V68 HydrophobicContact CG2-CG2 4.18Å; V68-D70 PolarHBondContact O-N 3.35Å; V68-D70 VanDerWaalsContact O-N 3.15Å; V68-T71 PolarHBondContact N-O 3.36Å; V68-T71 PolarHBondContact O-N 2.75Å; V68-L95 HydrophobicContact CB-CD1 4.49Å; V68-L95 HydrophobicContact CG1-CD1 4.18Å |
| 69 | G | 88.3 | Confident | 93.6 | Very high | 33 Ų | 33 | 52 Ų | 52 | 34% | 0.34 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | -115 | -168.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 70 | D | 86.6 | Confident | 94 | Very high | 144 Ų | 144 | 50.5 Ų | 50.5 | 77% | 0.77 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -10.6 | -174.3 | -43.3 | -63.1 | 0 | 0 | 0 | 112.2 | K44 V68 | K44-D70 IonicContact NZ-OD2 2.78Å; K44-D70 PolarHBondContact NZ-OD2 3.05Å; V68-D70 PolarHBondContact O-N 3.35Å; V68-D70 VanDerWaalsContact O-N 3.15Å |
| 71 | T | 86.8 | Confident | 94.1 | Very high | 53 Ų | 53 | 55.7 Ų | 55.7 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.1 | 179.7 | -52.4 | 0 | 0 | 0 | 0 | 109.7 | V68 H94 | V68-T71 PolarHBondContact N-O 3.36Å; V68-T71 PolarHBondContact O-N 2.75Å; T71-H94 HydrophobicContact CG2-CB 4.16Å |
| 72 | S | 93 | Very high | 93.9 | Very high | 71 Ų | 71 | 55.3 Ų | 55.3 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 142.4 | 170.1 | 73.1 | 0 | 0 | 0 | 0 | 111.2 | V66 | V66-S72 CarbonylContact O-C 3.54Å; V66-S72 VanDerWaalsContact O-CA 3.27Å; V66-S72 WeakPolarHBondContact O-CA 3.5Å |
| 73 | C | 95.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 147.7 | -179.6 | -58.8 | 0 | 0 | 0 | 0 | 110.1 | R65 V66 V90 A91 H94 | R65-C73 CarbonylContact C-O 3.58Å; R65-C73 WeakPolarHBondContact CA-O 3.3Å; V66-C73 HydrophobicContact CG1-CB 4.08Å; V66-C73 PolarHBondContact N-O 2.98Å; V66-C73 PolarHBondContact O-N 2.92Å; C73-V90 HydrophobicContact CB-CB 4.18Å; C73-V90 HydrophobicContact CB-CG1 3.81Å; C73-A91 HydrophobicContact CB-CB 4.21Å; C73-H94 VanDerWaalsContact SG-CD2 3.6Å |
| 74 | T | 95.8 | Very high | 93.9 | Very high | 81 Ų | 81 | 56.5 Ų | 56.5 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 149.3 | 177.2 | 54.6 | 0 | 0 | 0 | 0 | 111.5 | L51 F64 R65 | L51-T74 HydrophobicContact CD1-CG2 3.91Å; F64-T74 CarbonylContact O-C 3.52Å; F64-T74 VanDerWaalsContact O-CA 3.28Å; F64-T74 WeakPolarHBondContact O-CA 3.45Å; R65-T74 HydrophobicContact CB-CG2 4.1Å; R65-T74 HydrophobicContact CG-CG2 4.15Å |
| 75 | G | 96.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 140.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F64 | F64-G75 PolarHBondContact N-O 3.44Å; F64-G75 PolarHBondContact O-N 3.4Å |
| 76 | Q | 95.8 | Very high | 93.7 | Very high | 114 Ų | 114 | 59.4 Ų | 59.4 | 53% | 0.533 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 156.9 | -179.9 | -62.4 | -172.5 | -13.3 | 0 | 0 | 111.2 | F62 T63 | F62-Q76 CarbonylContact O-C 3.46Å; F62-Q76 VanDerWaalsContact O-CA 3.24Å; F62-Q76 WeakPolarHBondContact O-CA 3.39Å; T63-Q76 HydrophobicContact CG2-CG 3.93Å; T63-Q76 WeakPolarHBondContact OG1-CG 3.41Å; T63-Q76 PolarHBondContact OG1-NE2 3.13Å |
| 77 | G | 95.3 | Very high | 93.7 | Very high | 10 Ų | 10 | 59.4 Ų | 59.4 | 10% | 0.103 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.1 | 169.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F62 S79 | F62-G77 PolarHBondContact N-O 2.65Å; F62-G77 PolarHBondContact O-N 3.16Å; G77-S79 PolarHBondContact O-N 3.47Å; G77-S79 VanDerWaalsContact O-N 3.09Å |
| 78 | P | 92.9 | Very high | 93.6 | Very high | 97 Ų | 97 | 57.4 Ų | 57.4 | 63% | 0.63 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -74.2 | -1.8 | -173.3 | 30.7 | -37.3 | 0 | 0 | 0 | 114.1 | P60 | P60-P78 VanDerWaalsContact O-CA 3.29Å; P60-P78 WeakPolarHBondContact O-CA 3.45Å |
| 79 | S | 94.1 | Very high | 93.6 | Very high | 50 Ų | 50 | 59.8 Ų | 59.8 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -148 | 154.9 | 174.8 | 67.7 | 0 | 0 | 0 | 0 | 109.9 | G77 K81 A82 A83 | G77-S79 PolarHBondContact O-N 3.47Å; G77-S79 VanDerWaalsContact O-N 3.09Å; S79-K81 PolarHBondContact O-N 3.32Å; S79-K81 VanDerWaalsContact O-N 3.14Å; S79-A82 PolarHBondContact O-N 2.89Å; S79-A82 WeakPolarHBondContact OG-CB 3.37Å; S79-A82 PolarHBondContact OG-N 3.42Å; S79-A82 VanDerWaalsContact OG-N 3.12Å; S79-A83 WeakPolarHBondContact O-CB 3.3Å; S79-A83 PolarHBondContact O-N 2.87Å |
| 80 | K | 94.3 | Very high | 93.9 | Very high | 114 Ų | 114 | 60 Ų | 60 | 50% | 0.496 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -52.1 | -37.9 | 174.7 | -62.2 | -176 | 179.4 | 179.8 | 0 | 112.3 | F62 F64 K84 | F62-K80 HydrophobicContact CD1-CG 3.77Å; F62-K80 HydrophobicContact CE1-CG 3.93Å; F62-K80 HydrophobicContact CG-CG 4.07Å; F62-K80 HydrophobicContact CZ-CG 4.36Å; F64-K80 HydrophobicContact CE2-CB 3.82Å; F64-K80 HydrophobicContact CE2-CG 4.02Å; F64-K80 HydrophobicContact CZ-CB 4.24Å; F64-K80 HydrophobicContact CZ-CG 4.41Å; K80-K84 WeakPolarHBondContact O-CB 3.15Å; K80-K84 WeakPolarHBondContact O-CG 3.46Å; K80-K84 PolarHBondContact O-N 2.86Å; K80-K84 VanDerWaalsContact O-N 3.1Å |
| 81 | K | 93.6 | Very high | 94.2 | Very high | 155 Ų | 155 | 53.2 Ų | 53.2 | 67% | 0.674 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -68.8 | -44.8 | 177.9 | -173.1 | -179.5 | 178.9 | -175.7 | 0 | 112.1 | S79 H85 | S79-K81 PolarHBondContact O-N 3.32Å; S79-K81 VanDerWaalsContact O-N 3.14Å; K81-H85 VanDerWaalsContact O-CB 3.29Å; K81-H85 WeakPolarHBondContact O-CB 3.31Å; K81-H85 PolarHBondContact O-N 3.06Å |
| 82 | A | 92.3 | Very high | 94.3 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 30% | 0.298 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S79 H85 K86 | S79-A82 PolarHBondContact O-N 2.89Å; S79-A82 WeakPolarHBondContact OG-CB 3.37Å; S79-A82 PolarHBondContact OG-N 3.42Å; S79-A82 VanDerWaalsContact OG-N 3.12Å; A82-H85 WeakPolarHBondContact O-CB 3.38Å; A82-H85 PolarHBondContact O-N 2.92Å; A82-K86 PolarHBondContact O-N 3.42Å |
| 83 | A | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | F62 F64 S79 H85 K86 A87 | F62-A83 HydrophobicContact CB-CB 3.97Å; F62-A83 WeakPolarHBondContact O-CB 3.39Å; F64-A83 HydrophobicContact CB-CB 4.36Å; F64-A83 HydrophobicContact CD2-CB 3.71Å; F64-A83 HydrophobicContact CG-CB 4.48Å; S79-A83 WeakPolarHBondContact O-CB 3.3Å; S79-A83 PolarHBondContact O-N 2.87Å; A83-H85 VanDerWaalsContact C-N 3.32Å; A83-H85 PolarHBondContact O-N 3.33Å; A83-K86 PolarHBondContact O-N 3.39Å; A83-A87 PolarHBondContact O-N 3.47Å |
| 84 | K | 95.8 | Very high | 93.8 | Very high | 70 Ų | 70 | 58.1 Ų | 58.1 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 173.4 | -75.8 | -174.3 | 179.6 | -167.5 | 0 | 112.6 | I32 Y48 F64 K80 K86 A87 A88 | I32-K84 HydrophobicContact CD1-CB 3.96Å; Y48-K84 HydrophobicContact CD1-CB 4.21Å; Y48-K84 HydrophobicContact CD1-CD 4.32Å; Y48-K84 HydrophobicContact CD1-CG 3.92Å; Y48-K84 HydrophobicContact CE1-CB 4.23Å; Y48-K84 HydrophobicContact CE1-CG 4.44Å; Y48-K84 HydrophobicContact CG-CD 4.42Å; Y48-K84 HydrophobicContact CG-CG 4.47Å; F64-K84 HydrophobicContact CB-CG 4.15Å; F64-K84 HydrophobicContact CD1-CD 4.23Å; F64-K84 HydrophobicContact CD1-CG 3.55Å; F64-K84 HydrophobicContact CD2-CG 3.94Å; F64-K84 HydrophobicContact CE1-CD 4.12Å; F64-K84 HydrophobicContact CE1-CG 3.89Å; F64-K84 HydrophobicContact CE2-CG 4.2Å; F64-K84 HydrophobicContact CG-CG 3.58Å; F64-K84 HydrophobicContact CZ-CD 4.4Å; F64-K84 VanDerWaalsContact CZ-CE 3.46Å; F64-K84 HydrophobicContact CZ-CG 4.18Å; K80-K84 WeakPolarHBondContact O-CB 3.15Å; K80-K84 WeakPolarHBondContact O-CG 3.46Å; K80-K84 PolarHBondContact O-N 2.86Å; K80-K84 VanDerWaalsContact O-N 3.1Å; K84-K86 VanDerWaalsContact C-N 3.34Å; K84-A87 PolarHBondContact O-N 2.92Å; K84-A88 WeakPolarHBondContact O-CB 3.27Å; K84-A88 PolarHBondContact O-N 2.79Å |
| 85 | H | 95.2 | Very high | 93.2 | Very high | 72 Ų | 72 | 55.9 Ų | 55.9 | 33% | 0.333 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 177.7 | -175 | 115 | 0 | 0 | 0 | 111 | P31 I32 K81 A82 A83 A88 E89 | P31-H85 WeakPolarHBondContact CD-CE1 3.5Å; P31-H85 WeakPolarHBondContact CG-NE2 3.34Å; I32-H85 HydrophobicContact CD1-CB 4.12Å; I32-H85 HydrophobicContact CG1-CB 4.37Å; K81-H85 VanDerWaalsContact O-CB 3.29Å; K81-H85 WeakPolarHBondContact O-CB 3.31Å; K81-H85 PolarHBondContact O-N 3.06Å; A82-H85 WeakPolarHBondContact O-CB 3.38Å; A82-H85 PolarHBondContact O-N 2.92Å; A83-H85 VanDerWaalsContact C-N 3.32Å; A83-H85 PolarHBondContact O-N 3.33Å; H85-A88 PolarHBondContact O-N 2.78Å; H85-E89 PolarHBondContact O-N 2.84Å |
| 86 | K | 95.6 | Very high | 92.5 | Very high | 88 Ų | 88 | 60.3 Ų | 60.3 | 38% | 0.383 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 178.3 | -168.7 | 65.8 | -174.2 | 171.5 | 0 | 112.3 | A82 A83 K84 A88 E89 V90 | A82-K86 PolarHBondContact O-N 3.42Å; A83-K86 PolarHBondContact O-N 3.39Å; K84-K86 VanDerWaalsContact C-N 3.34Å; K86-A88 VanDerWaalsContact C-N 3.31Å; K86-A88 PolarHBondContact O-N 3.14Å; K86-E89 WeakPolarHBondContact CD-OE2 3.47Å; K86-E89 IonicContact NZ-OE1 3.73Å; K86-E89 IonicContact NZ-OE2 3.35Å; K86-E89 PolarHBondContact NZ-OE2 3.14Å; K86-E89 WeakPolarHBondContact O-CB 3.48Å; K86-E89 PolarHBondContact O-N 2.89Å; K86-V90 WeakPolarHBondContact O-CG2 3.23Å; K86-V90 PolarHBondContact O-N 3.19Å; K86-V90 VanDerWaalsContact O-N 3.09Å |
| 87 | A | 96.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | V66 A83 K84 V90 A91 | V66-A87 HydrophobicContact CB-CB 4.22Å; V66-A87 HydrophobicContact CG1-CB 3.94Å; V66-A87 VanDerWaalsContact CG1-O 3.3Å; V66-A87 WeakPolarHBondContact CG1-O 3.43Å; A83-A87 PolarHBondContact O-N 3.47Å; K84-A87 PolarHBondContact O-N 2.92Å; A87-V90 PolarHBondContact O-N 3.36Å; A87-A91 PolarHBondContact O-N 3.2Å |
| 88 | A | 94.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P31 I32 L35 Y48 K84 H85 K86 A91 L92 | P31-A88 HydrophobicContact CB-CB 4.11Å; I32-A88 HydrophobicContact CG1-CB 4.02Å; L35-A88 HydrophobicContact CD2-CB 3.97Å; Y48-A88 HydrophobicContact CE1-CB 4.37Å; Y48-A88 WeakPolarHBondContact OH-CB 3.26Å; K84-A88 WeakPolarHBondContact O-CB 3.27Å; K84-A88 PolarHBondContact O-N 2.79Å; H85-A88 PolarHBondContact O-N 2.78Å; K86-A88 VanDerWaalsContact C-N 3.31Å; K86-A88 PolarHBondContact O-N 3.14Å; A88-A91 PolarHBondContact O-N 3.36Å; A88-L92 WeakPolarHBondContact O-CG 3.39Å; A88-L92 PolarHBondContact O-N 2.88Å |
| 89 | E | 92.4 | Very high | 87 | Confident | 54 Ų | 54 | 60.2 Ų | 60.2 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 175.8 | -167.2 | -155 | 155.3 | 0 | 0 | 111.5 | P31 H85 K86 L92 K93 | P31-E89 HydrophobicContact CB-CB 4.39Å; H85-E89 PolarHBondContact O-N 2.84Å; K86-E89 WeakPolarHBondContact CD-OE2 3.47Å; K86-E89 IonicContact NZ-OE1 3.73Å; K86-E89 IonicContact NZ-OE2 3.35Å; K86-E89 PolarHBondContact NZ-OE2 3.14Å; K86-E89 WeakPolarHBondContact O-CB 3.48Å; K86-E89 PolarHBondContact O-N 2.89Å; E89-L92 PolarHBondContact O-N 3.39Å; E89-K93 WeakPolarHBondContact O-CG 3.32Å; E89-K93 PolarHBondContact O-N 3.49Å; E89-K93 VanDerWaalsContact OE1-CE 3.28Å; E89-K93 WeakPolarHBondContact OE1-CE 3.29Å; E89-K93 IonicContact OE1-NZ 3.69Å; E89-K93 PolarHBondContact OE1-NZ 2.63Å |
| 90 | V | 93.8 | Very high | 84.1 | Confident | 36 Ų | 36 | 66.6 Ų | 66.6 | 22% | 0.218 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 177.8 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | C73 K86 A87 L92 K93 H94 | C73-V90 HydrophobicContact CB-CB 4.18Å; C73-V90 HydrophobicContact CB-CG1 3.81Å; K86-V90 WeakPolarHBondContact O-CG2 3.23Å; K86-V90 PolarHBondContact O-N 3.19Å; K86-V90 VanDerWaalsContact O-N 3.09Å; A87-V90 PolarHBondContact O-N 3.36Å; V90-L92 VanDerWaalsContact C-N 3.34Å; V90-L92 PolarHBondContact O-N 2.88Å; V90-K93 WeakPolarHBondContact O-CB 3.41Å; V90-K93 PolarHBondContact O-N 2.73Å; V90-H94 PolarHBondContact O-CD2 2.97Å; V90-H94 VanDerWaalsContact O-CD2 3.25Å; V90-H94 PolarHBondContact O-N 3.16Å; V90-H94 VanDerWaalsContact O-N 3.11Å |
| 91 | A | 92.6 | Very high | 81.6 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 2% | 0.017 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | L35 V66 C73 A87 A88 K93 H94 L95 | L35-A91 HydrophobicContact CD1-CB 4.22Å; L35-A91 HydrophobicContact CD2-CB 3.86Å; V66-A91 HydrophobicContact CG1-CB 3.63Å; C73-A91 HydrophobicContact CB-CB 4.21Å; A87-A91 PolarHBondContact O-N 3.2Å; A88-A91 PolarHBondContact O-N 3.36Å; A91-K93 VanDerWaalsContact C-N 3.26Å; A91-K93 PolarHBondContact O-N 3.01Å; A91-H94 PolarHBondContact O-N 3.35Å; A91-L95 WeakPolarHBondContact O-CB 3.45Å; A91-L95 WeakPolarHBondContact O-CD1 3.4Å; A91-L95 VanDerWaalsContact O-CG 3.24Å; A91-L95 WeakPolarHBondContact O-CG 3.18Å; A91-L95 PolarHBondContact O-N 2.74Å |
| 92 | L | 89.4 | Confident | 79 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 5% | 0.052 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.5 | -33 | 175.4 | -73.3 | 172.4 | 0 | 0 | 0 | 112.7 | I19 L23 P31 L34 L35 A88 E89 V90 K96 | I19-L92 HydrophobicContact CD1-CD2 3.94Å; I19-L92 HydrophobicContact CG1-CD2 4.49Å; L23-L92 HydrophobicContact CD2-CD1 4.23Å; P31-L92 HydrophobicContact CB-CD1 3.94Å; L34-L92 HydrophobicContact CB-CD1 4.15Å; L35-L92 HydrophobicContact CB-CD1 4.5Å; L35-L92 HydrophobicContact CB-CD2 4.04Å; L35-L92 HydrophobicContact CB-CG 4.16Å; L35-L92 HydrophobicContact CD1-CD2 3.58Å; L35-L92 HydrophobicContact CD1-CG 3.91Å; L35-L92 HydrophobicContact CG-CD2 4.44Å; A88-L92 WeakPolarHBondContact O-CG 3.39Å; A88-L92 PolarHBondContact O-N 2.88Å; E89-L92 PolarHBondContact O-N 3.39Å; V90-L92 VanDerWaalsContact C-N 3.34Å; V90-L92 PolarHBondContact O-N 2.88Å; L92-K96 VanDerWaalsContact O-CG 3.32Å; L92-K96 WeakPolarHBondContact O-CG 3.46Å; L92-K96 PolarHBondContact O-N 2.71Å; L92-K96 VanDerWaalsContact O-N 3.14Å |
| 93 | K | 89 | Confident | 77 | Confident | 114 Ų | 114 | 72.3 Ų | 72.3 | 50% | 0.496 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.7 | -43.4 | 175.3 | -70 | 174.4 | -172.9 | 174.1 | 0 | 111.8 | E89 V90 A91 L95 K96 G97 | E89-K93 WeakPolarHBondContact O-CG 3.32Å; E89-K93 PolarHBondContact O-N 3.49Å; E89-K93 VanDerWaalsContact OE1-CE 3.28Å; E89-K93 WeakPolarHBondContact OE1-CE 3.29Å; E89-K93 IonicContact OE1-NZ 3.69Å; E89-K93 PolarHBondContact OE1-NZ 2.63Å; V90-K93 WeakPolarHBondContact O-CB 3.41Å; V90-K93 PolarHBondContact O-N 2.73Å; A91-K93 VanDerWaalsContact C-N 3.26Å; A91-K93 PolarHBondContact O-N 3.01Å; K93-L95 VanDerWaalsContact C-N 3.33Å; K93-L95 PolarHBondContact O-N 2.93Å; K93-K96 WeakPolarHBondContact O-CB 3.36Å; K93-K96 PolarHBondContact O-N 2.73Å; K93-G97 PolarHBondContact O-N 3.14Å |
| 94 | H | 88.2 | Confident | 74.1 | Confident | 114 Ų | 114 | 76.6 Ų | 76.6 | 53% | 0.528 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.7 | -35.2 | 176.5 | -74.1 | -76.7 | 0 | 0 | 0 | 112.6 | T71 C73 V90 A91 K96 G97 | T71-H94 HydrophobicContact CG2-CB 4.16Å; C73-H94 VanDerWaalsContact SG-CD2 3.6Å; V90-H94 PolarHBondContact O-CD2 2.97Å; V90-H94 VanDerWaalsContact O-CD2 3.25Å; V90-H94 PolarHBondContact O-N 3.16Å; V90-H94 VanDerWaalsContact O-N 3.11Å; A91-H94 PolarHBondContact O-N 3.35Å; H94-K96 VanDerWaalsContact C-N 3.34Å; H94-G97 PolarHBondContact O-N 3.11Å |
| 95 | L | 83.3 | Confident | 71.4 | Confident | 34 Ų | 34 | 80.7 Ų | 80.7 | 18% | 0.178 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -72.3 | -25.4 | 177.2 | -68.1 | 166 | 0 | 0 | 0 | 113.2 | I19 L35 Y38 V68 A91 K93 | I19-L95 HydrophobicContact CD1-CB 3.53Å; L35-L95 HydrophobicContact CD1-CD1 3.5Å; L35-L95 VanDerWaalsContact CD1-CD1 3.5Å; Y38-L95 HydrophobicContact CD1-CD1 4.02Å; Y38-L95 HydrophobicContact CE1-CB 4.35Å; Y38-L95 HydrophobicContact CE1-CD1 3.83Å; Y38-L95 HydrophobicContact CE1-CD2 4.16Å; Y38-L95 HydrophobicContact CE1-CG 4.34Å; V68-L95 HydrophobicContact CB-CD1 4.49Å; V68-L95 HydrophobicContact CG1-CD1 4.18Å; A91-L95 WeakPolarHBondContact O-CB 3.45Å; A91-L95 WeakPolarHBondContact O-CD1 3.4Å; A91-L95 VanDerWaalsContact O-CG 3.24Å; A91-L95 WeakPolarHBondContact O-CG 3.18Å; A91-L95 PolarHBondContact O-N 2.74Å; K93-L95 VanDerWaalsContact C-N 3.33Å; K93-L95 PolarHBondContact O-N 2.93Å |
| 96 | K | 81.2 | Confident | 68.5 | Low | 97 Ų | 97 | 85.6 Ų | 85.6 | 42% | 0.422 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.4 | -35.7 | 168 | -76 | 173.2 | 177.9 | -161.5 | 0 | 113 | I19 E20 L23 L92 K93 H94 G98 | I19-K96 HydrophobicContact CG2-CB 4.32Å; I19-K96 HydrophobicContact CG2-CG 3.7Å; E20-K96 HydrophobicContact CG-CG 4.49Å; L23-K96 HydrophobicContact CD1-CD 4.28Å; L92-K96 VanDerWaalsContact O-CG 3.32Å; L92-K96 WeakPolarHBondContact O-CG 3.46Å; L92-K96 PolarHBondContact O-N 2.71Å; L92-K96 VanDerWaalsContact O-N 3.14Å; K93-K96 WeakPolarHBondContact O-CB 3.36Å; K93-K96 PolarHBondContact O-N 2.73Å; H94-K96 VanDerWaalsContact C-N 3.34Å; K96-G98 VanDerWaalsContact C-N 3.34Å; K96-G98 PolarHBondContact O-N 3.45Å |
| 97 | G | 69.8 | Low | 65.6 | Low | 62 Ų | 62 | 87.8 Ų | 87.8 | 64% | 0.639 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -82.5 | -0 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116 | K93 H94 | K93-G97 PolarHBondContact O-N 3.14Å; H94-G97 PolarHBondContact O-N 3.11Å |
| 98 | G | 55.8 | Low | 62.6 | Low | 60 Ų | 60 | 93.2 Ų | 93.2 | 62% | 0.619 | 53% | 0.53 | S | S | * | . | trans | 46.9 | 78.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K96 | K96-G98 VanDerWaalsContact C-N 3.34Å; K96-G98 PolarHBondContact O-N 3.45Å | ||
| 99 | S | 42.8 | Very low | 59.8 | Low | 97 Ų | 97 | 97.6 Ų | 97.6 | 68% | 0.678 | 56% | 0.561 | S | S | * | * | trans | 46.8 | 94 | 161.5 | -171.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 100 | M | 33.3 | Very low | 56.8 | Low | 184 Ų | 184 | 100.5 Ų | 100.5 | 91% | 0.906 | 59% | 0.587 | S | S | * | * | trans | -124.1 | 119.3 | 140.8 | -81 | -103 | 80.3 | 0 | 0 | 107.4 | ||||
| 101 | L | 43.3 | Very low | 53.8 | Low | 151 Ų | 151 | 108.3 Ų | 108.3 | 79% | 0.791 | 62% | 0.619 | S | S | * | * | trans | -64.7 | 140.7 | 175.4 | -50.5 | 162.2 | 0 | 0 | 0 | 108 | ||||
| 102 | E | 38.6 | Very low | 51 | Low | 180 Ų | 180 | 112.9 Ų | 112.9 | 84% | 0.841 | 65% | 0.65 | S | S | * | * | -166.6 | 171.8 | 58.4 | -117.7 | -114.6 | 127.3 | 0 | 0 | 112 | |||||
| 103 | P | 48.6 | Very low | 48.4 | Very low | 93 Ų | 93 | 118 Ų | 118 | 60% | 0.604 | 69% | 0.685 | S | S | * | * | trans | -103.7 | 162.9 | -173.3 | 36.5 | -22.5 | 0 | 0 | 0 | 115.5 | ||||
| 104 | A | 35.7 | Very low | 45.5 | Very low | 90 Ų | 90 | 120.9 Ų | 120.9 | 74% | 0.744 | 70% | 0.704 | S | S | * | * | trans | 65.6 | 135.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 105 | L | 39.3 | Very low | 42.6 | Very low | 156 Ų | 156 | 122.2 Ų | 122.2 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | cis | -158.9 | 144.3 | -2.6 | -74.7 | 147 | 0 | 0 | 0 | 102.1 | ||||
| 106 | E | 35.5 | Very low | 40.1 | Very low | 176 Ų | 176 | 125 Ų | 125 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | 169.7 | 151.3 | 84.6 | -79.9 | -166.8 | 159.6 | 0 | 0 | 108.2 | |||||
| 107 | D | 33.6 | Very low | 37.6 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | 32 | 118 | 147.3 | -154.6 | 4.4 | 0 | 0 | 0 | 121 | S109 | D107-S109 PolarHBondContact OD1-N 2.98Å; D107-S109 PolarHBondContact OD1-OG 3.47Å | ||
| 108 | S | 34.3 | Very low | 35.5 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -149 | 79.4 | 143.9 | 35.2 | 0 | 0 | 0 | 0 | 109.1 | S110 | S108-S110 PolarHBondContact O-N 2.93Š| ||
| 109 | S | 34.8 | Very low | 34.8 | Very low | 91 Ų | 91 | 134 Ų | 134 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | -31 | 111.1 | 133.7 | 43.5 | 0 | 0 | 0 | 0 | 111.3 | D107 F111 | D107-S109 PolarHBondContact OD1-N 2.98Å; D107-S109 PolarHBondContact OD1-OG 3.47Å; S109-F111 PolarHBondContact O-N 3.29Å | ||
| 110 | S | 29.9 | Very low | 34.1 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -78.5 | 95 | 163.2 | -174.1 | 0 | 0 | 0 | 0 | 107.2 | S108 | S108-S110 PolarHBondContact O-N 2.93Š| ||
| 111 | F | 31.3 | Very low | 33.9 | Very low | 200 Ų | 200 | 136.5 Ų | 136.5 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -134.1 | 126.1 | 155.7 | -138.5 | -93.2 | 0 | 0 | 0 | 109.6 | S109 | S109-F111 PolarHBondContact O-N 3.29Š| ||
| 112 | S | 34.2 | Very low | 33.1 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -63.8 | 160.3 | -177.7 | -53 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 113 | P | 34 | Very low | 33.1 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -86.7 | 138.2 | -165.4 | 33.6 | -31.2 | 0 | 0 | 0 | 112.4 | ||||
| 114 | L | 28.7 | Very low | 32.1 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | trans | -154.9 | 103.8 | 150.6 | -101.4 | 128.5 | 0 | 0 | 0 | 110.6 | ||||
| 115 | D | 27.1 | Very low | 31.7 | Very low | 142 Ų | 142 | 140 Ų | 140 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | 55.8 | 111.2 | 132.1 | -144.8 | 15.9 | 0 | 0 | 0 | 122.1 | ||||
| 116 | S | 30.4 | Very low | 31.1 | Very low | 92 Ų | 92 | 138 Ų | 138 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | 29.5 | 119.3 | 143.8 | 60.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 117 | S | 28.4 | Very low | 30.7 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | 166 | 133.6 | 105.4 | 46.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 118 | L | 26.8 | Very low | 30.4 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -81.7 | 178.3 | 174.3 | -74.4 | 169.7 | 0 | 0 | 0 | 111.8 | ||||
| 119 | P | 39.4 | Very low | 30 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | cis | -133 | -173.1 | -25.2 | 26.6 | -2.8 | 0 | 0 | 0 | 114.2 | ||||
| 120 | E | 29.6 | Very low | 29.7 | Very low | 165 Ų | 165 | 133 Ų | 133 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | -55.4 | 160 | -174.3 | -54.7 | 171.9 | 123.5 | 0 | 0 | 119.2 | ||||
| 121 | D | 27.6 | Very low | 29.5 | Very low | 169 Ų | 169 | 132.2 Ų | 132.2 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -155.8 | 138.3 | 133.2 | -100.4 | -37.3 | 0 | 0 | 0 | 112.5 | ||||
| 122 | I | 28.1 | Very low | 29.5 | Very low | 127 Ų | 127 | 129 Ų | 129 | 65% | 0.651 | 80% | 0.795 | S | S | * | * | trans | -92.2 | 148.8 | -177.4 | -53.9 | 161.2 | 0 | 0 | 0 | 107.8 | I124 | I122-I124 HydrophobicContact CG2-CG1 4.42Š| ||
| 123 | P | 37.5 | Very low | 29.5 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | -155.8 | 141.6 | 85.6 | 35.7 | -11.4 | 0 | 0 | 0 | 119.6 | |||||
| 124 | I | 29 | Very low | 29.5 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | 17.4 | 128.1 | 126.3 | -54.6 | 168.1 | 0 | 0 | 0 | 117.8 | I122 | I122-I124 HydrophobicContact CG2-CG1 4.42Š| |||
| 125 | F | 27.4 | Very low | 29.9 | Very low | 209 Ų | 209 | 128.7 Ų | 128.7 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -151.5 | 134.9 | 135.7 | -133.3 | -92 | 0 | 0 | 0 | 112.9 | ||||
| 126 | T | 25 | Very low | 30.2 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -100.1 | 144.9 | 175.7 | 30.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 127 | A | 27.9 | Very low | 30.2 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | 177.6 | 113.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 128 | A | 26.1 | Very low | 30.2 | Very low | 102 Ų | 102 | 129 Ų | 129 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | 72.9 | 110.7 | 74.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 129 | A | 27.4 | Very low | 30.3 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | 172.5 | 146.9 | 122.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 130 | A | 27.1 | Very low | 29.7 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -94.2 | 162.8 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 131 | A | 25.7 | Very low | 29.7 | Very low | 100 Ų | 100 | 132 Ų | 132 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | 166.2 | 135.7 | 120.5 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 132 | T | 32 | Very low | 29.8 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -77.2 | -179.6 | 162 | 45 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 133 | P | 34.6 | Very low | 30.6 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | cis | -141.8 | -177.7 | 14.2 | 37.3 | -13.1 | 0 | 0 | 0 | 117.5 | ||||
| 134 | V | 32.8 | Very low | 30.8 | Very low | 133 Ų | 133 | 128 Ų | 128 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | -70.9 | 161.2 | 173.6 | -73.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 135 | P | 38.8 | Very low | 31.5 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | -152.5 | 177.4 | 71.4 | 37.4 | -13 | 0 | 0 | 0 | 119 | |||||
| 136 | S | 33.2 | Very low | 31.6 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -49.1 | 159.4 | -177 | -47.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 137 | V | 29.7 | Very low | 32.5 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | 165 | 115.6 | 130.1 | 170.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 138 | V | 28 | Very low | 32.6 | Very low | 124 Ų | 124 | 136 Ų | 136 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | 56 | 118.7 | 133.8 | -176.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 139 | L | 30.4 | Very low | 33 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | 51.7 | 133.9 | 137 | -96.6 | 132 | 0 | 0 | 0 | 125.2 | ||||
| 140 | T | 26.2 | Very low | 33.5 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 96.1 | 129.3 | 142.8 | -21.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 141 | R | 28.5 | Very low | 33.8 | Very low | 236 Ų | 236 | 139 Ų | 139 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | 111.4 | 104.9 | 139.5 | -156.5 | 164.5 | -178.1 | -140 | 1.1 | 116.4 | ||||
| 142 | S | 29.5 | Very low | 33.9 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -69 | 173.9 | 152.4 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 143 | P | 46.8 | Very low | 34.2 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | cis | -135.4 | -147.5 | 4.8 | 44 | -22.8 | 0 | 0 | 0 | 110.1 | ||||
| 144 | P | 41.3 | Very low | 34.2 | Very low | 113 Ų | 113 | 140 Ų | 140 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | cis | -130.6 | 168.7 | -14.2 | 34.7 | -14 | 0 | 0 | 0 | 116.2 | ||||
| 145 | M | 43 | Very low | 34.6 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | 13.4 | 120.7 | 154.6 | -72.1 | 174.8 | 68.4 | 0 | 0 | 119.5 | ||||
| 146 | E | 30.6 | Very low | 34.7 | Very low | 198 Ų | 198 | 136.6 Ų | 136.6 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | trans | -134.7 | 144.7 | 138.4 | -99.9 | -167.3 | 115.2 | 0 | 0 | 111.3 | ||||
| 147 | L | 43.4 | Very low | 35.4 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | -67.9 | 128.4 | -168.5 | -67.7 | 145.6 | 0 | 0 | 0 | 111.6 | ||||
| 148 | Q | 29.2 | Very low | 36.9 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -121.6 | 137.5 | 160.5 | -94.3 | -172.9 | -36 | 0 | 0 | 111 | ||||
| 149 | P | 34.8 | Very low | 39.8 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 168.4 | -175.6 | 34.6 | -38 | 0 | 0 | 0 | 111.9 | V151 | P149-V151 PolarHBondContact O-N 2.94Š|
| 150 | P | 38 | Very low | 42.7 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 124.7 | -152.1 | 30.2 | -32.3 | 0 | 0 | 0 | 111.2 | S152 | P150-S152 PolarHBondContact O-N 3.25Š|
| 151 | V | 32.9 | Very low | 46 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 86% | 0.861 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 129.1 | 168.5 | -75 | 0 | 0 | 0 | 0 | 109.7 | P149 | P149-V151 PolarHBondContact O-N 2.94Š|
| 152 | S | 28 | Very low | 49.1 | Very low | 101 Ų | 101 | 116.3 Ų | 116.3 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -54 | 134.3 | -171.1 | -43.2 | 0 | 0 | 0 | 0 | 114.1 | P150 Q154 | P150-S152 PolarHBondContact O-N 3.25Å; S152-Q154 PolarHBondContact O-N 2.77Å |
| 153 | P | 37.6 | Very low | 52.1 | Low | 108 Ų | 108 | 113.2 Ų | 113.2 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | trans | -86.7 | 84.6 | 177.3 | 33.5 | -30.6 | 0 | 0 | 0 | 110 | ||||
| 154 | Q | 36.2 | Very low | 54.4 | Low | 166 Ų | 166 | 107.8 Ų | 107.8 | 78% | 0.776 | 61% | 0.606 | S | S | * | * | trans | -131.9 | 21.1 | 178.6 | -68.6 | -165.7 | -28.9 | 0 | 0 | 114.7 | S152 | S152-Q154 PolarHBondContact O-N 2.77Š| ||
| 155 | Q | 40.8 | Very low | 56.9 | Low | 129 Ų | 129 | 106.5 Ų | 106.5 | 60% | 0.603 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -128 | 1.4 | 167.8 | -71.2 | 178.5 | 7.5 | 0 | 0 | 113.9 | H58 E157 | H58-Q155 VanDerWaalsContact CB-OE1 3.31Å; H58-Q155 PolarHBondContact CD2-NE2 2.83Å; H58-Q155 PolarHBondContact CE1-NE2 3.22Å; H58-Q155 PolarHBondContact ND1-NE2 2.81Å; H58-Q155 PolarHBondContact NE2-NE2 3.04Å; Q155-E157 PolarHBondContact O-N 2.92Å |
| 156 | S | 39.8 | Very low | 59.3 | Low | 59 Ų | 59 | 104.1 Ų | 104.1 | 41% | 0.413 | 58% | 0.577 | S | S | . | * | trans | -79.8 | 2.3 | 176.5 | 30.8 | 0 | 0 | 0 | 0 | 113.5 | C158 | S156-C158 VanDerWaalsContact C-N 3.31Å; S156-C158 PolarHBondContact O-N 3.39Å | ||
| 157 | E | 49.5 | Very low | 62.1 | Low | 188 Ų | 188 | 96 Ų | 96 | 88% | 0.879 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 2.6 | -168.5 | -124.7 | 169.4 | -159.9 | 0 | 0 | 116.1 | Q155 | Q155-E157 PolarHBondContact O-N 2.92Š|
| 158 | C | 60.3 | Low | 64.4 | Low | 114 Ų | 114 | 88.3 Ų | 88.3 | 77% | 0.77 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.1 | 8.6 | -176.6 | 68.7 | 0 | 0 | 0 | 0 | 118.3 | S156 P160 | S156-C158 VanDerWaalsContact C-N 3.31Å; S156-C158 PolarHBondContact O-N 3.39Å; C158-P160 WeakPolarHBondContact O-CD 3.4Å |
| 159 | N | 88.2 | Confident | 67.4 | Low | 80 Ų | 80 | 83.4 Ų | 83.4 | 43% | 0.428 | 48% | 0.483 | S | S | . | . | trans | -97.2 | 99.9 | 170.4 | -177.3 | 18.4 | 0 | 0 | 0 | 110.6 | V161 G162 A163 | N159-V161 PolarHBondContact O-N 2.98Å; N159-V161 VanDerWaalsContact O-N 3.11Å; N159-V161 PolarHBondContact OD1-N 3.01Å; N159-G162 PolarHBondContact ND2-N 2.84Å; N159-G162 PolarHBondContact O-N 2.97Å; N159-A163 PolarHBondContact O-N 3.41Å | ||
| 160 | P | 91.6 | Very high | 70 | Confident | 22 Ų | 22 | 86 Ų | 86 | 14% | 0.143 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -64.4 | -22.9 | -176.6 | 28.1 | -36.5 | 0 | 0 | 0 | 112.6 | C158 L164 R215 A218 A219 L222 | C158-P160 WeakPolarHBondContact O-CD 3.4Å; P160-L164 WeakPolarHBondContact O-CB 3.21Å; P160-L164 PolarHBondContact O-N 3.49Å; P160-R215 HydrophobicContact CG-CB 4.45Å; P160-R215 HydrophobicContact CG-CG 3.29Å; P160-R215 WeakPolarHBondContact CG-O 3.36Å; P160-A218 HydrophobicContact CB-CB 4.42Å; P160-A219 HydrophobicContact CB-CB 3.86Å; P160-A219 HydrophobicContact CG-CB 4.15Å; P160-L222 HydrophobicContact CB-CD1 3.82Å; P160-L222 WeakPolarHBondContact O-CD1 3.36Å |
| 161 | V | 95.1 | Very high | 72.3 | Confident | 27 Ų | 27 | 85.1 Ų | 85.1 | 16% | 0.164 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -69.6 | -43.9 | 174 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | N159 Q165 Y178 K214 R215 A218 | N159-V161 PolarHBondContact O-N 2.98Å; N159-V161 VanDerWaalsContact O-N 3.11Å; N159-V161 PolarHBondContact OD1-N 3.01Å; V161-Q165 PolarHBondContact O-N 2.89Å; V161-Q165 VanDerWaalsContact O-N 3.09Å; V161-Y178 HydrophobicContact CG1-CE2 4.35Å; V161-K214 HydrophobicContact CG1-CD 4.46Å; V161-K214 HydrophobicContact CG2-CG 4.17Å; V161-R215 HydrophobicContact CG2-CB 4.46Å; V161-A218 HydrophobicContact CB-CB 4.31Å; V161-A218 HydrophobicContact CG2-CB 3.81Å |
| 162 | G | 94.1 | Very high | 74.9 | Confident | 20 Ų | 20 | 81.1 Ų | 81.1 | 21% | 0.206 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -68.7 | -47.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | N159 L164 Q165 E166 | N159-G162 PolarHBondContact ND2-N 2.84Å; N159-G162 PolarHBondContact O-N 2.97Å; G162-L164 VanDerWaalsContact C-N 3.29Å; G162-L164 PolarHBondContact O-N 3.38Å; G162-Q165 PolarHBondContact O-N 3.41Å; G162-E166 WeakPolarHBondContact O-CG 3.32Å; G162-E166 PolarHBondContact O-N 2.86Å |
| 163 | A | 93.2 | Very high | 77.9 | Confident | 36 Ų | 36 | 78.4 Ų | 78.4 | 30% | 0.298 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.5 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N159 L167 L222 | N159-A163 PolarHBondContact O-N 3.41Å; A163-L167 VanDerWaalsContact O-CB 3.3Å; A163-L167 WeakPolarHBondContact O-CB 3.37Å; A163-L167 PolarHBondContact O-N 3.39Å; A163-L222 HydrophobicContact CB-CD1 3.98Å |
| 164 | L | 94.2 | Very high | 80.5 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.4 | -45 | 173.9 | -177.8 | 64.2 | 0 | 0 | 0 | 111.5 | P160 G162 L167 V168 P176 V198 A218 M221 L222 V225 | P160-L164 WeakPolarHBondContact O-CB 3.21Å; P160-L164 PolarHBondContact O-N 3.49Å; G162-L164 VanDerWaalsContact C-N 3.29Å; G162-L164 PolarHBondContact O-N 3.38Å; L164-L167 PolarHBondContact O-N 3.35Å; L164-V168 HydrophobicContact CD1-CG2 4.13Å; L164-V168 HydrophobicContact CG-CG2 4.26Å; L164-V168 WeakPolarHBondContact O-CB 3.44Å; L164-V168 WeakPolarHBondContact O-CG2 3.34Å; L164-V168 PolarHBondContact O-N 3.01Å; L164-P176 HydrophobicContact CD2-CB 4.23Å; L164-V198 HydrophobicContact CD1-CG2 4.46Å; L164-V198 HydrophobicContact CD2-CG2 4.16Å; L164-V198 HydrophobicContact CG-CG2 4.5Å; L164-A218 HydrophobicContact CB-CB 4.48Å; L164-A218 HydrophobicContact CD2-CB 3.99Å; L164-M221 HydrophobicContact CD1-CB 4.15Å; L164-M221 HydrophobicContact CD1-CG 3.63Å; L164-M221 HydrophobicContact CD2-CB 3.81Å; L164-M221 HydrophobicContact CD2-CG 3.72Å; L164-M221 HydrophobicContact CG-CG 4.34Å; L164-L222 HydrophobicContact CB-CD1 4.43Å; L164-L222 HydrophobicContact CB-CD2 3.98Å; L164-L222 HydrophobicContact CB-CG 3.93Å; L164-L222 HydrophobicContact CD1-CD2 3.95Å; L164-L222 HydrophobicContact CD1-CG 4.1Å; L164-V225 HydrophobicContact CD1-CG2 4.35Å |
| 165 | Q | 94.5 | Very high | 83.1 | Confident | 86 Ų | 86 | 75.9 Ų | 75.9 | 40% | 0.402 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | -179.4 | -178.6 | 156.1 | -14.4 | 0 | 0 | 112.1 | V161 G162 V168 V169 L175 P176 | V161-Q165 PolarHBondContact O-N 2.89Å; V161-Q165 VanDerWaalsContact O-N 3.09Å; G162-Q165 PolarHBondContact O-N 3.41Å; Q165-V168 PolarHBondContact O-N 2.63Å; Q165-V169 WeakPolarHBondContact O-CB 3.49Å; Q165-V169 VanDerWaalsContact O-CG2 3.28Å; Q165-V169 WeakPolarHBondContact O-CG2 3.15Å; Q165-V169 PolarHBondContact O-N 2.63Å; Q165-L175 HydrophobicContact CG-CD2 4.14Å; Q165-P176 HydrophobicContact CB-CG 4.42Å |
| 166 | E | 93 | Very high | 85.7 | Confident | 121 Ų | 121 | 70.4 Ų | 70.4 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.8 | -46 | 174.3 | -71.9 | 171.7 | -160.5 | 0 | 0 | 111.4 | G162 V168 V169 Q170 | G162-E166 WeakPolarHBondContact O-CG 3.32Å; G162-E166 PolarHBondContact O-N 2.86Å; E166-V168 PolarHBondContact O-N 3Å; E166-V169 PolarHBondContact O-N 3.43Å; E166-Q170 VanDerWaalsContact O-CB 3.3Å; E166-Q170 WeakPolarHBondContact O-CB 3.34Å; E166-Q170 PolarHBondContact O-N 3.18Å |
| 167 | L | 89.9 | Confident | 88.3 | Confident | 28 Ų | 28 | 72.6 Ų | 72.6 | 15% | 0.147 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 177.8 | 179.3 | 64.4 | 0 | 0 | 0 | 112.4 | A163 L164 Q170 K171 L222 V225 H226 | A163-L167 VanDerWaalsContact O-CB 3.3Å; A163-L167 WeakPolarHBondContact O-CB 3.37Å; A163-L167 PolarHBondContact O-N 3.39Å; L164-L167 PolarHBondContact O-N 3.35Å; L167-Q170 PolarHBondContact O-N 2.83Å; L167-K171 HydrophobicContact CD1-CG 4.34Å; L167-K171 WeakPolarHBondContact O-CB 3.17Å; L167-K171 VanDerWaalsContact O-CG 3.23Å; L167-K171 WeakPolarHBondContact O-CG 3.2Å; L167-K171 PolarHBondContact O-N 2.93Å; L167-L222 HydrophobicContact CD2-CD2 3.76Å; L167-V225 HydrophobicContact CD2-CG2 3.42Å; L167-V225 VanDerWaalsContact CD2-CG2 3.42Å; L167-H226 WeakPolarHBondContact CD2-NE2 3.48Å |
| 168 | V | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 177.6 | 166.6 | 0 | 0 | 0 | 0 | 110.8 | L164 Q165 E166 K171 G172 W173 R174 V198 | L164-V168 HydrophobicContact CD1-CG2 4.13Å; L164-V168 HydrophobicContact CG-CG2 4.26Å; L164-V168 WeakPolarHBondContact O-CB 3.44Å; L164-V168 WeakPolarHBondContact O-CG2 3.34Å; L164-V168 PolarHBondContact O-N 3.01Å; Q165-V168 PolarHBondContact O-N 2.63Å; E166-V168 PolarHBondContact O-N 3Å; V168-K171 PolarHBondContact O-N 3.11Å; V168-G172 PolarHBondContact O-N 3.21Å; V168-W173 HydrophobicContact CG1-CB 3.82Å; V168-W173 HydrophobicContact CG2-CE3 4.29Å; V168-W173 PolarHBondContact O-N 2.8Å; V168-R174 WeakPolarHBondContact CG1-O 3.46Å; V168-V198 HydrophobicContact CG2-CG1 3.51Å; V168-V198 HydrophobicContact CG2-CG2 4.14Å |
| 169 | V | 91.9 | Very high | 92.1 | Very high | 87 Ų | 87 | 63.8 Ų | 63.8 | 53% | 0.527 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 175.8 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | Q165 E166 K171 G172 L175 | Q165-V169 WeakPolarHBondContact O-CB 3.49Å; Q165-V169 VanDerWaalsContact O-CG2 3.28Å; Q165-V169 WeakPolarHBondContact O-CG2 3.15Å; Q165-V169 PolarHBondContact O-N 2.63Å; E166-V169 PolarHBondContact O-N 3.43Å; V169-K171 VanDerWaalsContact C-N 3.26Å; V169-K171 PolarHBondContact O-N 3.13Å; V169-G172 PolarHBondContact O-N 2.97Å; V169-L175 HydrophobicContact CG2-CD2 3.84Å |
| 170 | Q | 89.6 | Confident | 92.5 | Very high | 167 Ų | 167 | 62.6 Ų | 62.6 | 78% | 0.78 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.6 | -33.5 | 177.9 | -174.9 | 62.7 | 50.3 | 0 | 0 | 112.5 | E166 L167 G172 | E166-Q170 VanDerWaalsContact O-CB 3.3Å; E166-Q170 WeakPolarHBondContact O-CB 3.34Å; E166-Q170 PolarHBondContact O-N 3.18Å; L167-Q170 PolarHBondContact O-N 2.83Å; Q170-G172 VanDerWaalsContact C-N 3.29Å |
| 171 | K | 85.6 | Confident | 92.3 | Very high | 106 Ų | 106 | 65.5 Ų | 65.5 | 46% | 0.461 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -5.9 | 175 | -68.8 | -82.6 | -176.4 | 174.7 | 0 | 113.3 | L167 V168 V169 W173 | L167-K171 HydrophobicContact CD1-CG 4.34Å; L167-K171 WeakPolarHBondContact O-CB 3.17Å; L167-K171 VanDerWaalsContact O-CG 3.23Å; L167-K171 WeakPolarHBondContact O-CG 3.2Å; L167-K171 PolarHBondContact O-N 2.93Å; V168-K171 PolarHBondContact O-N 3.11Å; V169-K171 VanDerWaalsContact C-N 3.26Å; V169-K171 PolarHBondContact O-N 3.13Å; K171-W173 HydrophobicContact CB-CD2 3.57Å; K171-W173 HydrophobicContact CB-CE3 3.92Å; K171-W173 HydrophobicContact CB-CG 3.89Å; K171-W173 HydrophobicContact CB-CH2 4.44Å; K171-W173 HydrophobicContact CB-CZ2 4.13Å; K171-W173 HydrophobicContact CB-CZ3 4.34Å; K171-W173 HydrophobicContact CD-CH2 4.2Å; K171-W173 HydrophobicContact CD-CZ2 4.02Å; K171-W173 HydrophobicContact CG-CD2 4.27Å; K171-W173 HydrophobicContact CG-CE3 4.23Å; K171-W173 HydrophobicContact CG-CH2 4.12Å; K171-W173 HydrophobicContact CG-CZ2 4.15Å; K171-W173 HydrophobicContact CG-CZ3 4.15Å; K171-W173 PolarHBondContact O-N 3.41Å |
| 172 | G | 87.9 | Confident | 91.9 | Very high | 58 Ų | 58 | 69.4 Ų | 69.4 | 60% | 0.598 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 19.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V168 V169 Q170 | V168-G172 PolarHBondContact O-N 3.21Å; V169-G172 PolarHBondContact O-N 2.97Å; Q170-G172 VanDerWaalsContact C-N 3.29Å |
| 173 | W | 91.6 | Very high | 91.9 | Very high | 45 Ų | 45 | 73.6 Ų | 73.6 | 17% | 0.17 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 163.4 | 177.8 | -64.8 | -19.3 | 0 | 0 | 0 | 111.3 | V168 K171 V198 E199 F201 V225 | V168-W173 HydrophobicContact CG1-CB 3.82Å; V168-W173 HydrophobicContact CG2-CE3 4.29Å; V168-W173 PolarHBondContact O-N 2.8Å; K171-W173 HydrophobicContact CB-CD2 3.57Å; K171-W173 HydrophobicContact CB-CE3 3.92Å; K171-W173 HydrophobicContact CB-CG 3.89Å; K171-W173 HydrophobicContact CB-CH2 4.44Å; K171-W173 HydrophobicContact CB-CZ2 4.13Å; K171-W173 HydrophobicContact CB-CZ3 4.34Å; K171-W173 HydrophobicContact CD-CH2 4.2Å; K171-W173 HydrophobicContact CD-CZ2 4.02Å; K171-W173 HydrophobicContact CG-CD2 4.27Å; K171-W173 HydrophobicContact CG-CE3 4.23Å; K171-W173 HydrophobicContact CG-CH2 4.12Å; K171-W173 HydrophobicContact CG-CZ2 4.15Å; K171-W173 HydrophobicContact CG-CZ3 4.15Å; K171-W173 PolarHBondContact O-N 3.41Å; W173-V198 HydrophobicContact CE3-CG1 3.79Å; W173-V198 HydrophobicContact CZ3-CG1 4.28Å; W173-E199 HydrophobicContact CD2-CB 4.41Å; W173-E199 HydrophobicContact CG-CB 4.44Å; W173-E199 HydrophobicContact CG-CG 4.5Å; W173-F201 HydrophobicContact CH2-CE2 4.37Å; W173-V225 HydrophobicContact CH2-CB 4.3Å; W173-V225 HydrophobicContact CZ3-CB 4.02Å; W173-V225 HydrophobicContact CZ3-CG1 4.02Å |
| 174 | R | 90.5 | Very high | 91.7 | Very high | 113 Ų | 113 | 74.7 Ų | 74.7 | 43% | 0.426 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 145.6 | 172.3 | -66.3 | -160.4 | -177.7 | 97.1 | -2.5 | 111.1 | V168 D266 R269 | V168-R174 WeakPolarHBondContact CG1-O 3.46Å; R174-D266 IonicContact CZ-OD1 3.65Å; R174-D266 VanDerWaalsContact CZ-OD1 3.26Å; R174-D266 IonicContact NH1-OD1 2.65Å; R174-D266 PolarHBondContact NH1-OD1 3.17Å; R174-D266 IonicContact NH2-OD1 3.04Å; R174-D266 PolarHBondContact NH2-OD1 3.43Å; R174-R269 VanDerWaalsContact NH2-CZ 3.31Å |
| 175 | L | 92.6 | Very high | 91.5 | Very high | 107 Ų | 107 | 76.6 Ų | 76.6 | 56% | 0.56 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 142.7 | 179 | -66.1 | 178.6 | 0 | 0 | 0 | 111.8 | Q165 V169 E177 | Q165-L175 HydrophobicContact CG-CD2 4.14Å; V169-L175 HydrophobicContact CG2-CD2 3.84Å; L175-E177 PolarHBondContact O-N 2.97Å |
| 176 | P | 94.6 | Very high | 91.1 | Very high | 15 Ų | 15 | 75.7 Ų | 75.7 | 10% | 0.097 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 129.6 | -179 | 24.2 | -33.1 | 0 | 0 | 0 | 111.5 | L164 Q165 Y178 R197 V198 | L164-P176 HydrophobicContact CD2-CB 4.23Å; Q165-P176 HydrophobicContact CB-CG 4.42Å; P176-Y178 HydrophobicContact CB-CE2 3.91Å; P176-Y178 HydrophobicContact CG-CE2 4.05Å; P176-R197 WeakPolarHBondContact CA-O 3.36Å; P176-V198 HydrophobicContact CB-CG2 3.64Å |
| 177 | E | 95.3 | Very high | 90.7 | Very high | 105 Ų | 105 | 74 Ų | 74 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 140.3 | 173.1 | -169.7 | -175.9 | 168.9 | 0 | 0 | 110 | L175 C196 R197 | L175-E177 PolarHBondContact O-N 2.97Å; E177-C196 CarbonylContact O-C 3.57Å; E177-C196 WeakPolarHBondContact O-CA 3.19Å; E177-R197 HydrophobicContact CB-CB 4.35Å; E177-R197 PolarHBondContact N-O 2.94Å; E177-R197 PolarHBondContact O-N 3.47Å |
| 178 | Y | 95.4 | Very high | 90.3 | Very high | 48 Ų | 48 | 80.7 Ų | 80.7 | 19% | 0.188 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 123.3 | 179 | -66.1 | -79.9 | 0 | 0 | 0 | 111.1 | V161 P176 M194 T195 C196 K214 A218 | V161-Y178 HydrophobicContact CG1-CE2 4.35Å; P176-Y178 HydrophobicContact CB-CE2 3.91Å; P176-Y178 HydrophobicContact CG-CE2 4.05Å; Y178-M194 HydrophobicContact CD1-CG 4.13Å; Y178-T195 WeakPolarHBondContact CA-O 3.42Å; Y178-C196 HydrophobicContact CD1-CB 3.84Å; Y178-C196 HydrophobicContact CE1-CB 3.64Å; Y178-C196 WeakPolarHBondContact CE1-SG 3.37Å; Y178-K214 HydrophobicContact CD1-CD 4.32Å; Y178-K214 HydrophobicContact CD1-CG 3.66Å; Y178-K214 HydrophobicContact CD2-CD 4.19Å; Y178-K214 HydrophobicContact CD2-CG 4.37Å; Y178-K214 HydrophobicContact CE1-CD 4.49Å; Y178-K214 HydrophobicContact CE1-CG 3.7Å; Y178-K214 HydrophobicContact CE2-CD 4.36Å; Y178-K214 HydrophobicContact CE2-CG 4.41Å; Y178-K214 HydrophobicContact CG-CD 4.14Å; Y178-K214 HydrophobicContact CG-CG 3.99Å; Y178-A218 HydrophobicContact CE1-CB 4.37Å; Y178-A218 WeakPolarHBondContact OH-CB 3.44Å |
| 179 | T | 94.1 | Very high | 89.9 | Confident | 68 Ų | 68 | 89.4 Ų | 89.4 | 42% | 0.417 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.7 | -177.7 | -18.1 | 0 | 0 | 0 | 0 | 110.1 | T181 T195 | T179-T181 PolarHBondContact O-N 3.14Å; T179-T195 PolarHBondContact N-O 2.99Å; T179-T195 PolarHBondContact O-N 3.38Å |
| 180 | V | 95.1 | Very high | 89.8 | Confident | 56 Ų | 56 | 89.9 Ų | 89.9 | 34% | 0.339 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 114.9 | 173.8 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | E183 M194 K210 | V180-E183 HydrophobicContact CG1-CG 3.86Å; V180-M194 HydrophobicContact CG2-CE 3.44Å; V180-M194 VanDerWaalsContact CG2-CE 3.44Å; V180-M194 HydrophobicContact CG2-SD 4.07Å; V180-K210 HydrophobicContact CG2-CD 4.28Å; V180-K210 HydrophobicContact CG2-CG 4.5Å |
| 181 | T | 87.8 | Confident | 89.9 | Confident | 82 Ų | 82 | 86.6 Ų | 86.6 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -27.8 | -177.4 | 42.7 | 0 | 0 | 0 | 0 | 112.9 | T179 T193 T195 | T179-T181 PolarHBondContact O-N 3.14Å; T181-T193 PolarHBondContact N-O 3.09Å; T181-T193 PolarHBondContact OG1-O 3.04Å; T181-T195 WeakPolarHBondContact CG2-OG1 3.3Å; T181-T195 PolarHBondContact OG1-OG1 3.31Å |
| 182 | Q | 87.4 | Confident | 90.3 | Very high | 110 Ų | 110 | 82.5 Ų | 82.5 | 51% | 0.514 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 138.9 | -179.6 | -163.4 | 179.8 | 0.1 | 0 | 0 | 111.3 | F192 T193 | Q182-F192 WeakPolarHBondContact O-CA 3.36Å; Q182-T193 PolarHBondContact O-N 2.83Å |
| 183 | E | 94.2 | Very high | 90.5 | Very high | 108 Ų | 108 | 80.9 Ų | 80.9 | 51% | 0.505 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.5 | 165.6 | -53.9 | -163.2 | 176.8 | 0 | 0 | 107.8 | V180 E191 F192 K210 | V180-E183 HydrophobicContact CG1-CG 3.86Å; E183-E191 WeakPolarHBondContact CA-O 3.31Å; E183-F192 HydrophobicContact CB-CD1 4.33Å; E183-F192 HydrophobicContact CB-CE1 4.41Å; E183-F192 VanDerWaalsContact CD-CE1 3.5Å; E183-F192 HydrophobicContact CG-CD1 3.73Å; E183-F192 HydrophobicContact CG-CE1 3.94Å; E183-F192 WeakPolarHBondContact OE2-CE1 3.47Å; E183-K210 WeakPolarHBondContact OE1-CE 3.3Å; E183-K210 IonicContact OE1-NZ 3.19Å; E183-K210 PolarHBondContact OE1-NZ 3.39Å |
| 184 | S | 89.4 | Confident | 90.8 | Very high | 59 Ų | 59 | 79.1 Ų | 79.1 | 41% | 0.413 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 175.4 | -175.8 | -170.9 | 0 | 0 | 0 | 0 | 111.1 | E191 | S184-E191 PolarHBondContact N-O 3.3Å; S184-E191 PolarHBondContact O-N 2.67Å |
| 185 | G | 89.2 | Confident | 90.9 | Very high | 40 Ų | 40 | 74.7 Ų | 74.7 | 41% | 0.412 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 84.3 | 161.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 186 | P | 85.6 | Confident | 91.1 | Very high | 66 Ų | 66 | 69.6 Ų | 69.6 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | trans | -68.2 | 158.8 | -178.8 | 29.7 | -35.1 | 0 | 0 | 0 | 111.3 | H188 R189 K190 | P186-H188 VanDerWaalsContact CB-CE1 3.48Å; P186-H188 WeakPolarHBondContact CB-CE1 3.36Å; P186-H188 PolarHBondContact O-N 3.07Å; P186-R189 HydrophobicContact CG-CB 4.07Å; P186-R189 CarbonylContact O-C 3.5Å; P186-R189 WeakPolarHBondContact O-CA 3.03Å; P186-R189 PolarHBondContact O-N 2.82Å; P186-K190 PolarHBondContact O-N 3.05Å; P186-K190 VanDerWaalsContact O-N 3.13Å | ||
| 187 | A | 85.1 | Confident | 91.1 | Very high | 85 Ų | 85 | 74.3 Ų | 74.3 | 70% | 0.702 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 188 | H | 81.6 | Confident | 91 | Very high | 170 Ų | 170 | 69.3 Ų | 69.3 | 79% | 0.787 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -4.9 | 178.4 | 61.2 | -93.8 | 0 | 0 | 0 | 114.2 | P186 | P186-H188 VanDerWaalsContact CB-CE1 3.48Å; P186-H188 WeakPolarHBondContact CB-CE1 3.36Å; P186-H188 PolarHBondContact O-N 3.07Å |
| 189 | R | 83.8 | Confident | 90.7 | Very high | 183 Ų | 183 | 69.5 Ų | 69.5 | 69% | 0.691 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -153.2 | 62 | 178.7 | -168.9 | -179.8 | 172.1 | 146.5 | -2.6 | 110.2 | P186 | P186-R189 HydrophobicContact CG-CB 4.07Å; P186-R189 CarbonylContact O-C 3.5Å; P186-R189 WeakPolarHBondContact O-CA 3.03Å; P186-R189 PolarHBondContact O-N 2.82Å |
| 190 | K | 89.5 | Confident | 90.3 | Very high | 97 Ų | 97 | 74.4 Ų | 74.4 | 42% | 0.422 | 38% | 0.376 | S | S | . | . | trans | -67.1 | 145.6 | 177.4 | -67.7 | -177 | 175.5 | -72.6 | 0 | 111 | P186 F192 T208 | P186-K190 PolarHBondContact O-N 3.05Å; P186-K190 VanDerWaalsContact O-N 3.13Å; K190-F192 HydrophobicContact CB-CD2 4.47Å; K190-F192 HydrophobicContact CB-CE2 3.64Å; K190-F192 HydrophobicContact CB-CZ 4.01Å; K190-F192 HydrophobicContact CD-CE2 4.43Å; K190-F192 HydrophobicContact CD-CZ 4.01Å; K190-T208 VanDerWaalsContact O-CA 3.32Å; K190-T208 WeakPolarHBondContact O-CA 3.49Å | ||
| 191 | E | 92.3 | Very high | 90.1 | Very high | 98 Ų | 98 | 72.6 Ų | 72.6 | 46% | 0.458 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 135 | 173.9 | -176.7 | 163 | -152.5 | 0 | 0 | 109.2 | E183 S184 | E183-E191 WeakPolarHBondContact CA-O 3.31Å; S184-E191 PolarHBondContact N-O 3.3Å; S184-E191 PolarHBondContact O-N 2.67Å |
| 192 | F | 93.9 | Very high | 90.3 | Very high | 20 Ų | 20 | 73.6 Ų | 73.6 | 9% | 0.088 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.8 | -178.5 | -61 | -92.1 | 0 | 0 | 0 | 108.7 | Q182 E183 K190 S206 G207 S209 K210 A213 | Q182-F192 WeakPolarHBondContact O-CA 3.36Å; E183-F192 HydrophobicContact CB-CD1 4.33Å; E183-F192 HydrophobicContact CB-CE1 4.41Å; E183-F192 VanDerWaalsContact CD-CE1 3.5Å; E183-F192 HydrophobicContact CG-CD1 3.73Å; E183-F192 HydrophobicContact CG-CE1 3.94Å; E183-F192 WeakPolarHBondContact OE2-CE1 3.47Å; K190-F192 HydrophobicContact CB-CD2 4.47Å; K190-F192 HydrophobicContact CB-CE2 3.64Å; K190-F192 HydrophobicContact CB-CZ 4.01Å; K190-F192 HydrophobicContact CD-CE2 4.43Å; K190-F192 HydrophobicContact CD-CZ 4.01Å; F192-S206 CarbonylContact O-C 3.55Å; F192-S206 VanDerWaalsContact O-CA 3.27Å; F192-S206 WeakPolarHBondContact O-CA 3.35Å; F192-G207 PolarHBondContact N-O 3.49Å; F192-G207 PolarHBondContact O-N 3.46Å; F192-S209 VanDerWaalsContact CD2-CA 3.45Å; F192-K210 HydrophobicContact CD1-CD 4.31Å; F192-K210 HydrophobicContact CD1-CG 3.53Å; F192-K210 HydrophobicContact CE1-CD 4.29Å; F192-K210 HydrophobicContact CE1-CG 3.81Å; F192-K210 HydrophobicContact CG-CG 3.96Å; F192-K210 HydrophobicContact CZ-CG 4.43Å; F192-A213 HydrophobicContact CB-CB 4.12Å; F192-A213 VanDerWaalsContact O-CB 3.29Å; F192-A213 WeakPolarHBondContact O-CB 3.14Å |
| 193 | T | 92.3 | Very high | 90.7 | Very high | 24 Ų | 24 | 70.5 Ų | 70.5 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.6 | 172.6 | -53.7 | 0 | 0 | 0 | 0 | 108.5 | T181 Q182 I204 | T181-T193 PolarHBondContact N-O 3.09Å; T181-T193 PolarHBondContact OG1-O 3.04Å; Q182-T193 PolarHBondContact O-N 2.83Å; T193-I204 HydrophobicContact CG2-CG2 3.22Å |
| 194 | M | 97 | Very high | 90.6 | Very high | 7 Ų | 7 | 69.3 Ų | 69.3 | 3% | 0.034 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128 | -179.7 | -175.3 | 69.8 | 65.9 | 0 | 0 | 109.2 | Y178 V180 I204 G205 A213 K214 A217 | Y178-M194 HydrophobicContact CD1-CG 4.13Å; V180-M194 HydrophobicContact CG2-CE 3.44Å; V180-M194 VanDerWaalsContact CG2-CE 3.44Å; V180-M194 HydrophobicContact CG2-SD 4.07Å; M194-I204 WeakPolarHBondContact O-CA 3.36Å; M194-G205 PolarHBondContact N-O 2.93Å; M194-G205 PolarHBondContact O-N 3.31Å; M194-A213 HydrophobicContact CB-CB 3.74Å; M194-K214 HydrophobicContact CE-CB 4.31Å; M194-K214 HydrophobicContact CG-CB 4.28Å; M194-A217 HydrophobicContact CB-CB 4.38Å; M194-A217 HydrophobicContact CG-CB 4.37Å |
| 195 | T | 93.4 | Very high | 90.8 | Very high | 21 Ų | 21 | 66.5 Ų | 66.5 | 13% | 0.129 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 130.6 | 169.8 | -60.7 | 0 | 0 | 0 | 0 | 109.1 | Y178 T179 T181 I202 I204 | Y178-T195 WeakPolarHBondContact CA-O 3.42Å; T179-T195 PolarHBondContact N-O 2.99Å; T179-T195 PolarHBondContact O-N 3.38Å; T181-T195 WeakPolarHBondContact CG2-OG1 3.3Å; T181-T195 PolarHBondContact OG1-OG1 3.31Å; T195-I202 HydrophobicContact CG2-CG2 3.51Å; T195-I204 HydrophobicContact CG2-CG1 4.37Å |
| 196 | C | 96.3 | Very high | 91 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.1 | 172 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | E177 Y178 I202 E203 A217 M221 | E177-C196 CarbonylContact O-C 3.57Å; E177-C196 WeakPolarHBondContact O-CA 3.19Å; Y178-C196 HydrophobicContact CD1-CB 3.84Å; Y178-C196 HydrophobicContact CE1-CB 3.64Å; Y178-C196 WeakPolarHBondContact CE1-SG 3.37Å; C196-I202 WeakPolarHBondContact O-CA 2.96Å; C196-E203 PolarHBondContact N-O 3.39Å; C196-E203 PolarHBondContact O-N 2.97Å; C196-A217 HydrophobicContact CB-CB 3.87Å; C196-M221 HydrophobicContact CB-CE 4.19Å; C196-M221 WeakPolarHBondContact O-CE 3.46Å |
| 197 | R | 94.6 | Very high | 91.3 | Very high | 113 Ų | 113 | 64.4 Ų | 64.4 | 43% | 0.426 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.5 | 176.6 | -177 | 178.3 | 179.8 | -175.7 | -0.9 | 109.7 | P176 E177 I202 | P176-R197 WeakPolarHBondContact CA-O 3.36Å; E177-R197 HydrophobicContact CB-CB 4.35Å; E177-R197 PolarHBondContact N-O 2.94Å; E177-R197 PolarHBondContact O-N 3.47Å; R197-I202 HydrophobicContact CG-CG1 4.26Å |
| 198 | V | 93.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 112.9 | 176.7 | 174.8 | 0 | 0 | 0 | 0 | 107.6 | L164 V168 W173 P176 R200 F201 M221 | L164-V198 HydrophobicContact CD1-CG2 4.46Å; L164-V198 HydrophobicContact CD2-CG2 4.16Å; L164-V198 HydrophobicContact CG-CG2 4.5Å; V168-V198 HydrophobicContact CG2-CG1 3.51Å; V168-V198 HydrophobicContact CG2-CG2 4.14Å; W173-V198 HydrophobicContact CE3-CG1 3.79Å; W173-V198 HydrophobicContact CZ3-CG1 4.28Å; P176-V198 HydrophobicContact CB-CG2 3.64Å; V198-R200 PolarHBondContact O-N 3.19Å; V198-R200 VanDerWaalsContact O-N 3.13Å; V198-F201 PolarHBondContact N-O 2.97Å; V198-F201 WeakPolarHBondContact O-CA 3.28Å; V198-F201 WeakPolarHBondContact O-CB 3.49Å; V198-F201 PolarHBondContact O-N 3.33Å; V198-M221 HydrophobicContact CB-CE 4.08Å; V198-M221 HydrophobicContact CB-CG 4.22Å; V198-M221 HydrophobicContact CB-SD 4.03Å; V198-M221 HydrophobicContact CG2-CE 4.13Å; V198-M221 HydrophobicContact CG2-CG 3.87Å; V198-M221 HydrophobicContact CG2-SD 4.27Å |
| 199 | E | 87.8 | Confident | 92.1 | Very high | 52 Ų | 52 | 59.1 Ų | 59.1 | 24% | 0.243 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | -118.8 | 179.9 | -164.5 | 52.8 | -131.9 | 0 | 0 | 110.6 | W173 N270 | W173-E199 HydrophobicContact CD2-CB 4.41Å; W173-E199 HydrophobicContact CG-CB 4.44Å; W173-E199 HydrophobicContact CG-CG 4.5Å; E199-N270 PolarHBondContact OE1-ND2 2.99Å; E199-N270 PolarHBondContact OE2-ND2 3.41Å |
| 200 | R | 86 | Confident | 92.6 | Very high | 171 Ų | 171 | 55 Ų | 55 | 65% | 0.645 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -5.1 | 174.6 | 61.8 | 177.3 | 141.9 | -141.5 | -2.6 | 114.5 | V198 | V198-R200 PolarHBondContact O-N 3.19Å; V198-R200 VanDerWaalsContact O-N 3.13Å |
| 201 | F | 91.9 | Very high | 92.8 | Very high | 18 Ų | 18 | 57.8 Ų | 57.8 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 137 | -176.3 | -56 | -73.3 | 0 | 0 | 0 | 110.4 | W173 V198 M221 R224 V225 V228 | W173-F201 HydrophobicContact CH2-CE2 4.37Å; V198-F201 PolarHBondContact N-O 2.97Å; V198-F201 WeakPolarHBondContact O-CA 3.28Å; V198-F201 WeakPolarHBondContact O-CB 3.49Å; V198-F201 PolarHBondContact O-N 3.33Å; F201-M221 HydrophobicContact CB-CE 4.04Å; F201-M221 HydrophobicContact CB-SD 3.47Å; F201-M221 WeakPolarHBondContact CB-SD 3.43Å; F201-M221 HydrophobicContact CG-SD 4.49Å; F201-M221 WeakPolarHBondContact O-CE 3.31Å; F201-R224 HydrophobicContact CD1-CG 3.82Å; F201-R224 HydrophobicContact CE1-CG 4.42Å; F201-R224 HydrophobicContact CG-CG 4.4Å; F201-V225 HydrophobicContact CB-CG1 4.45Å; F201-V225 HydrophobicContact CD2-CG1 3.68Å; F201-V225 HydrophobicContact CE2-CG1 4.12Å; F201-V225 HydrophobicContact CG-CG1 4.15Å; F201-V228 HydrophobicContact CE1-CB 4.28Å; F201-V228 HydrophobicContact CE1-CG1 4.43Å; F201-V228 HydrophobicContact CE1-CG2 4.15Å; F201-V228 HydrophobicContact CZ-CB 4.21Å; F201-V228 HydrophobicContact CZ-CG1 4.29Å |
| 202 | I | 92.4 | Very high | 92.7 | Very high | 102 Ų | 102 | 55.7 Ų | 55.7 | 52% | 0.523 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 126.7 | 174.4 | -58.3 | 176.5 | 0 | 0 | 0 | 106.7 | T195 C196 R197 | T195-I202 HydrophobicContact CG2-CG2 3.51Å; C196-I202 WeakPolarHBondContact O-CA 2.96Å; R197-I202 HydrophobicContact CG-CG1 4.26Å |
| 203 | E | 94.8 | Very high | 92.8 | Very high | 46 Ų | 46 | 54.8 Ų | 54.8 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 146.7 | 177.7 | -78 | -63 | 161.7 | 0 | 0 | 110.8 | C196 K220 M221 R224 | C196-E203 PolarHBondContact N-O 3.39Å; C196-E203 PolarHBondContact O-N 2.97Å; E203-K220 HydrophobicContact CB-CB 4.19Å; E203-K220 HydrophobicContact CG-CB 4.31Å; E203-M221 HydrophobicContact CB-CB 4.19Å; E203-M221 HydrophobicContact CB-CE 3.84Å; E203-M221 HydrophobicContact CB-SD 4.39Å; E203-M221 HydrophobicContact CG-CB 4.34Å; E203-M221 HydrophobicContact CG-CE 4.08Å; E203-M221 HydrophobicContact CG-SD 4.07Å; E203-R224 HydrophobicContact CG-CB 4.09Å; E203-R224 HydrophobicContact CG-CG 4.34Å; E203-R224 IonicContact OE1-NE 3.63Å |
| 204 | I | 92.6 | Very high | 93 | Very high | 83 Ų | 83 | 57.4 Ų | 57.4 | 43% | 0.426 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.6 | -173.2 | -56.3 | 177.9 | 0 | 0 | 0 | 110 | T193 M194 T195 K220 | T193-I204 HydrophobicContact CG2-CG2 3.22Å; M194-I204 WeakPolarHBondContact O-CA 3.36Å; T195-I204 HydrophobicContact CG2-CG1 4.37Å; I204-K220 VanDerWaalsContact O-CD 3.22Å; I204-K220 WeakPolarHBondContact O-CD 3.34Å; I204-K220 WeakPolarHBondContact O-CE 3.05Å; I204-K220 PolarHBondContact O-NZ 3.01Å |
| 205 | G | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M194 | M194-G205 PolarHBondContact N-O 2.93Å; M194-G205 PolarHBondContact O-N 3.31Å |
| 206 | S | 92.1 | Very high | 93 | Very high | 53 Ų | 53 | 63.5 Ų | 63.5 | 37% | 0.371 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 157.5 | 171.8 | 57.6 | 0 | 0 | 0 | 0 | 111.5 | F192 N216 | F192-S206 CarbonylContact O-C 3.55Å; F192-S206 VanDerWaalsContact O-CA 3.27Å; F192-S206 WeakPolarHBondContact O-CA 3.35Å; S206-N216 PolarHBondContact O-ND2 3.09Å |
| 207 | G | 93.3 | Very high | 93 | Very high | 9 Ų | 9 | 63.5 Ų | 63.5 | 9% | 0.093 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.7 | 164.3 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | F192 S209 | F192-G207 PolarHBondContact N-O 3.49Å; F192-G207 PolarHBondContact O-N 3.46Å; G207-S209 PolarHBondContact O-N 3.32Å; G207-S209 VanDerWaalsContact O-N 3.11Å |
| 208 | T | 90.6 | Very high | 93.1 | Very high | 96 Ų | 96 | 58.1 Ų | 58.1 | 59% | 0.589 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -72.2 | -1.5 | 179.8 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | K190 | K190-T208 VanDerWaalsContact O-CA 3.32Å; K190-T208 WeakPolarHBondContact O-CA 3.49Å |
| 209 | S | 92.9 | Very high | 93.1 | Very high | 47 Ų | 47 | 59.8 Ų | 59.8 | 33% | 0.329 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -149.5 | 155 | 173.9 | 65.2 | 0 | 0 | 0 | 0 | 110.2 | F192 G207 K211 L212 A213 | F192-S209 VanDerWaalsContact CD2-CA 3.45Å; G207-S209 PolarHBondContact O-N 3.32Å; G207-S209 VanDerWaalsContact O-N 3.11Å; S209-K211 PolarHBondContact O-N 2.94Å; S209-L212 PolarHBondContact O-N 2.89Å; S209-L212 WeakPolarHBondContact OG-CB 3.32Å; S209-L212 PolarHBondContact OG-N 2.97Å; S209-L212 VanDerWaalsContact OG-N 3.14Å; S209-A213 WeakPolarHBondContact O-CB 3.35Å; S209-A213 PolarHBondContact O-N 3.21Å |
| 210 | K | 93.3 | Very high | 93.4 | Very high | 98 Ų | 98 | 61.9 Ų | 61.9 | 43% | 0.426 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -54.3 | -37.1 | 174.4 | -59.8 | -175.2 | -175.9 | -164.6 | 0 | 112.6 | V180 E183 F192 K214 | V180-K210 HydrophobicContact CG2-CD 4.28Å; V180-K210 HydrophobicContact CG2-CG 4.5Å; E183-K210 WeakPolarHBondContact OE1-CE 3.3Å; E183-K210 IonicContact OE1-NZ 3.19Å; E183-K210 PolarHBondContact OE1-NZ 3.39Å; F192-K210 HydrophobicContact CD1-CD 4.31Å; F192-K210 HydrophobicContact CD1-CG 3.53Å; F192-K210 HydrophobicContact CE1-CD 4.29Å; F192-K210 HydrophobicContact CE1-CG 3.81Å; F192-K210 HydrophobicContact CG-CG 3.96Å; F192-K210 HydrophobicContact CZ-CG 4.43Å; K210-K214 VanDerWaalsContact O-CB 3.31Å; K210-K214 WeakPolarHBondContact O-CB 3.48Å; K210-K214 PolarHBondContact O-N 3.4Å |
| 211 | K | 93.8 | Very high | 93.9 | Very high | 155 Ų | 155 | 53.8 Ų | 53.8 | 67% | 0.674 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67 | -42.6 | 177.2 | -173.5 | 175.8 | -177.3 | 175.8 | 0 | 112.1 | S209 R215 | S209-K211 PolarHBondContact O-N 2.94Å; K211-R215 PolarHBondContact O-N 2.95Å |
| 212 | L | 91.3 | Very high | 93.9 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70.9 | -43.5 | 178.2 | -175.9 | 60.8 | 0 | 0 | 0 | 111.5 | S209 K214 R215 N216 | S209-L212 PolarHBondContact O-N 2.89Å; S209-L212 WeakPolarHBondContact OG-CB 3.32Å; S209-L212 PolarHBondContact OG-N 2.97Å; S209-L212 VanDerWaalsContact OG-N 3.14Å; L212-K214 VanDerWaalsContact C-N 3.32Å; L212-K214 PolarHBondContact O-N 2.98Å; L212-R215 WeakPolarHBondContact O-CB 3.46Å; L212-R215 PolarHBondContact O-N 3.33Å; L212-R215 VanDerWaalsContact O-N 3.15Å; L212-N216 WeakPolarHBondContact O-CB 3.23Å; L212-N216 PolarHBondContact O-N 2.9Å |
| 213 | A | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.1 | -45.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | F192 M194 S209 R215 N216 A217 | F192-A213 HydrophobicContact CB-CB 4.12Å; F192-A213 VanDerWaalsContact O-CB 3.29Å; F192-A213 WeakPolarHBondContact O-CB 3.14Å; M194-A213 HydrophobicContact CB-CB 3.74Å; S209-A213 WeakPolarHBondContact O-CB 3.35Å; S209-A213 PolarHBondContact O-N 3.21Å; A213-R215 PolarHBondContact O-N 2.89Å; A213-N216 PolarHBondContact O-N 3.46Å; A213-A217 WeakPolarHBondContact O-CB 3.18Å; A213-A217 PolarHBondContact O-N 2.98Å |
| 214 | K | 95.9 | Very high | 93.5 | Very high | 79 Ų | 79 | 58.7 Ų | 58.7 | 34% | 0.343 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.6 | -47 | 173.3 | -174.8 | 179.2 | -65 | -167.6 | 0 | 112.9 | V161 Y178 M194 K210 L212 N216 A217 A218 | V161-K214 HydrophobicContact CG1-CD 4.46Å; V161-K214 HydrophobicContact CG2-CG 4.17Å; Y178-K214 HydrophobicContact CD1-CD 4.32Å; Y178-K214 HydrophobicContact CD1-CG 3.66Å; Y178-K214 HydrophobicContact CD2-CD 4.19Å; Y178-K214 HydrophobicContact CD2-CG 4.37Å; Y178-K214 HydrophobicContact CE1-CD 4.49Å; Y178-K214 HydrophobicContact CE1-CG 3.7Å; Y178-K214 HydrophobicContact CE2-CD 4.36Å; Y178-K214 HydrophobicContact CE2-CG 4.41Å; Y178-K214 HydrophobicContact CG-CD 4.14Å; Y178-K214 HydrophobicContact CG-CG 3.99Å; M194-K214 HydrophobicContact CE-CB 4.31Å; M194-K214 HydrophobicContact CG-CB 4.28Å; K210-K214 VanDerWaalsContact O-CB 3.31Å; K210-K214 WeakPolarHBondContact O-CB 3.48Å; K210-K214 PolarHBondContact O-N 3.4Å; L212-K214 VanDerWaalsContact C-N 3.32Å; L212-K214 PolarHBondContact O-N 2.98Å; K214-N216 VanDerWaalsContact C-N 3.33Å; K214-N216 PolarHBondContact O-N 3.01Å; K214-A217 PolarHBondContact O-N 2.93Å; K214-A218 WeakPolarHBondContact O-CB 3.35Å; K214-A218 PolarHBondContact O-N 3.05Å |
| 215 | R | 95.9 | Very high | 93.2 | Very high | 95 Ų | 95 | 55.1 Ų | 55.1 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 177.8 | -173.3 | -175.3 | -72.8 | 131 | -8.7 | 111.5 | P160 V161 K211 L212 A213 A218 A219 | P160-R215 HydrophobicContact CG-CB 4.45Å; P160-R215 HydrophobicContact CG-CG 3.29Å; P160-R215 WeakPolarHBondContact CG-O 3.36Å; V161-R215 HydrophobicContact CG2-CB 4.46Å; K211-R215 PolarHBondContact O-N 2.95Å; L212-R215 WeakPolarHBondContact O-CB 3.46Å; L212-R215 PolarHBondContact O-N 3.33Å; L212-R215 VanDerWaalsContact O-N 3.15Å; A213-R215 PolarHBondContact O-N 2.89Å; R215-A218 PolarHBondContact O-N 2.99Å; R215-A219 PolarHBondContact O-N 3.33Å |
| 216 | N | 94.4 | Very high | 92.6 | Very high | 61 Ų | 61 | 61.2 Ų | 61.2 | 33% | 0.326 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.7 | -39.7 | 179.8 | -71.5 | -10.7 | 0 | 0 | 0 | 111.9 | S206 L212 A213 K214 A219 K220 | S206-N216 PolarHBondContact O-ND2 3.09Å; L212-N216 WeakPolarHBondContact O-CB 3.23Å; L212-N216 PolarHBondContact O-N 2.9Å; A213-N216 PolarHBondContact O-N 3.46Å; K214-N216 VanDerWaalsContact C-N 3.33Å; K214-N216 PolarHBondContact O-N 3.01Å; N216-A219 PolarHBondContact O-N 2.81Å; N216-K220 PolarHBondContact O-N 3.2Å; N216-K220 VanDerWaalsContact O-N 3.1Å |
| 217 | A | 96.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | M194 C196 A213 K214 A219 K220 M221 | M194-A217 HydrophobicContact CB-CB 4.38Å; M194-A217 HydrophobicContact CG-CB 4.37Å; C196-A217 HydrophobicContact CB-CB 3.87Å; A213-A217 WeakPolarHBondContact O-CB 3.18Å; A213-A217 PolarHBondContact O-N 2.98Å; K214-A217 PolarHBondContact O-N 2.93Å; A217-A219 PolarHBondContact O-N 3.13Å; A217-K220 PolarHBondContact O-N 2.93Å; A217-M221 WeakPolarHBondContact O-CB 3.44Å; A217-M221 PolarHBondContact O-N 2.78Å |
| 218 | A | 96.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | P160 V161 L164 Y178 K214 R215 M221 L222 | P160-A218 HydrophobicContact CB-CB 4.42Å; V161-A218 HydrophobicContact CB-CB 4.31Å; V161-A218 HydrophobicContact CG2-CB 3.81Å; L164-A218 HydrophobicContact CB-CB 4.48Å; L164-A218 HydrophobicContact CD2-CB 3.99Å; Y178-A218 HydrophobicContact CE1-CB 4.37Å; Y178-A218 WeakPolarHBondContact OH-CB 3.44Å; K214-A218 WeakPolarHBondContact O-CB 3.35Å; K214-A218 PolarHBondContact O-N 3.05Å; R215-A218 PolarHBondContact O-N 2.99Å; A218-M221 PolarHBondContact O-N 2.94Å; A218-L222 WeakPolarHBondContact O-CG 3.4Å; A218-L222 PolarHBondContact O-N 3Å |
| 219 | A | 94.3 | Very high | 87.8 | Confident | 36 Ų | 36 | 64.9 Ų | 64.9 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P160 R215 N216 A217 L222 L223 | P160-A219 HydrophobicContact CB-CB 3.86Å; P160-A219 HydrophobicContact CG-CB 4.15Å; R215-A219 PolarHBondContact O-N 3.33Å; N216-A219 PolarHBondContact O-N 2.81Å; A217-A219 PolarHBondContact O-N 3.13Å; A219-L222 PolarHBondContact O-N 2.85Å; A219-L223 PolarHBondContact O-N 2.95Å |
| 220 | K | 94.2 | Very high | 85.9 | Confident | 97 Ų | 97 | 66.9 Ų | 66.9 | 42% | 0.422 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 173.4 | -71.1 | -178.5 | 179.7 | -174 | 0 | 111.9 | E203 I204 N216 A217 L222 L223 R224 | E203-K220 HydrophobicContact CB-CB 4.19Å; E203-K220 HydrophobicContact CG-CB 4.31Å; I204-K220 VanDerWaalsContact O-CD 3.22Å; I204-K220 WeakPolarHBondContact O-CD 3.34Å; I204-K220 WeakPolarHBondContact O-CE 3.05Å; I204-K220 PolarHBondContact O-NZ 3.01Å; N216-K220 PolarHBondContact O-N 3.2Å; N216-K220 VanDerWaalsContact O-N 3.1Å; A217-K220 PolarHBondContact O-N 2.93Å; K220-L222 PolarHBondContact O-N 3.33Å; K220-L223 WeakPolarHBondContact O-CB 3.01Å; K220-L223 PolarHBondContact O-N 3.29Å; K220-R224 PolarHBondContact O-N 2.8Å |
| 221 | M | 95.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 176.9 | -173.8 | 62.5 | 78.4 | 0 | 0 | 112 | L164 C196 V198 F201 E203 A217 A218 L223 R224 V225 | L164-M221 HydrophobicContact CD1-CB 4.15Å; L164-M221 HydrophobicContact CD1-CG 3.63Å; L164-M221 HydrophobicContact CD2-CB 3.81Å; L164-M221 HydrophobicContact CD2-CG 3.72Å; L164-M221 HydrophobicContact CG-CG 4.34Å; C196-M221 HydrophobicContact CB-CE 4.19Å; C196-M221 WeakPolarHBondContact O-CE 3.46Å; V198-M221 HydrophobicContact CB-CE 4.08Å; V198-M221 HydrophobicContact CB-CG 4.22Å; V198-M221 HydrophobicContact CB-SD 4.03Å; V198-M221 HydrophobicContact CG2-CE 4.13Å; V198-M221 HydrophobicContact CG2-CG 3.87Å; V198-M221 HydrophobicContact CG2-SD 4.27Å; F201-M221 HydrophobicContact CB-CE 4.04Å; F201-M221 HydrophobicContact CB-SD 3.47Å; F201-M221 WeakPolarHBondContact CB-SD 3.43Å; F201-M221 HydrophobicContact CG-SD 4.49Å; F201-M221 WeakPolarHBondContact O-CE 3.31Å; E203-M221 HydrophobicContact CB-CB 4.19Å; E203-M221 HydrophobicContact CB-CE 3.84Å; E203-M221 HydrophobicContact CB-SD 4.39Å; E203-M221 HydrophobicContact CG-CB 4.34Å; E203-M221 HydrophobicContact CG-CE 4.08Å; E203-M221 HydrophobicContact CG-SD 4.07Å; A217-M221 WeakPolarHBondContact O-CB 3.44Å; A217-M221 PolarHBondContact O-N 2.78Å; A218-M221 PolarHBondContact O-N 2.94Å; M221-L223 VanDerWaalsContact C-N 3.31Å; M221-L223 PolarHBondContact O-N 2.72Å; M221-R224 WeakPolarHBondContact O-CB 3.47Å; M221-R224 PolarHBondContact O-N 3.35Å; M221-R224 VanDerWaalsContact O-N 3.08Å; M221-V225 HydrophobicContact CG-CG1 4.12Å; M221-V225 WeakPolarHBondContact O-CG1 3.42Å; M221-V225 WeakPolarHBondContact O-CG2 3.22Å; M221-V225 PolarHBondContact O-N 3Å; M221-V225 HydrophobicContact SD-CG1 3.85Å |
| 222 | L | 93.4 | Very high | 80.8 | Confident | 26 Ų | 26 | 65.8 Ų | 65.8 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -53.6 | -48 | 175.6 | -82.5 | 170.8 | 0 | 0 | 0 | 111.9 | P160 A163 L164 L167 A218 A219 K220 R224 V225 H226 | P160-L222 HydrophobicContact CB-CD1 3.82Å; P160-L222 WeakPolarHBondContact O-CD1 3.36Å; A163-L222 HydrophobicContact CB-CD1 3.98Å; L164-L222 HydrophobicContact CB-CD1 4.43Å; L164-L222 HydrophobicContact CB-CD2 3.98Å; L164-L222 HydrophobicContact CB-CG 3.93Å; L164-L222 HydrophobicContact CD1-CD2 3.95Å; L164-L222 HydrophobicContact CD1-CG 4.1Å; L167-L222 HydrophobicContact CD2-CD2 3.76Å; A218-L222 WeakPolarHBondContact O-CG 3.4Å; A218-L222 PolarHBondContact O-N 3Å; A219-L222 PolarHBondContact O-N 2.85Å; K220-L222 PolarHBondContact O-N 3.33Å; L222-R224 VanDerWaalsContact C-N 3.33Å; L222-R224 PolarHBondContact O-N 3.38Å; L222-V225 WeakPolarHBondContact O-CG2 3.43Å; L222-V225 PolarHBondContact O-N 3.38Å; L222-H226 WeakPolarHBondContact O-CB 3.37Å; L222-H226 PolarHBondContact O-CD2 3.38Å; L222-H226 PolarHBondContact O-N 3.33Å; L222-H226 VanDerWaalsContact O-N 3.07Å |
| 223 | L | 90.3 | Very high | 79 | Confident | 122 Ų | 122 | 75.3 Ų | 75.3 | 64% | 0.639 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.4 | -45.1 | 176.9 | -64.9 | 169.7 | 0 | 0 | 0 | 110.9 | A219 K220 M221 H226 T227 | A219-L223 PolarHBondContact O-N 2.95Å; K220-L223 WeakPolarHBondContact O-CB 3.01Å; K220-L223 PolarHBondContact O-N 3.29Å; M221-L223 VanDerWaalsContact C-N 3.31Å; M221-L223 PolarHBondContact O-N 2.72Å; L223-H226 PolarHBondContact O-N 2.85Å; L223-T227 WeakPolarHBondContact O-CB 3.48Å; L223-T227 WeakPolarHBondContact O-CG2 3.06Å; L223-T227 PolarHBondContact O-N 3Å; L223-T227 PolarHBondContact O-OG1 3.08Å |
| 224 | R | 87.6 | Confident | 76.3 | Confident | 121 Ų | 121 | 82.3 Ų | 82.3 | 46% | 0.457 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | -179 | -171.1 | 60.6 | 162.3 | 158.2 | -2.4 | 112.8 | F201 E203 K220 M221 L222 H226 T227 V228 | F201-R224 HydrophobicContact CD1-CG 3.82Å; F201-R224 HydrophobicContact CE1-CG 4.42Å; F201-R224 HydrophobicContact CG-CG 4.4Å; E203-R224 HydrophobicContact CG-CB 4.09Å; E203-R224 HydrophobicContact CG-CG 4.34Å; E203-R224 IonicContact OE1-NE 3.63Å; K220-R224 PolarHBondContact O-N 2.8Å; M221-R224 WeakPolarHBondContact O-CB 3.47Å; M221-R224 PolarHBondContact O-N 3.35Å; M221-R224 VanDerWaalsContact O-N 3.08Å; L222-R224 VanDerWaalsContact C-N 3.33Å; L222-R224 PolarHBondContact O-N 3.38Å; R224-H226 VanDerWaalsContact C-N 3.33Å; R224-T227 PolarHBondContact O-OG1 3.36Å; R224-V228 WeakPolarHBondContact O-CG2 3.5Å; R224-V228 PolarHBondContact O-N 2.84Å |
| 225 | V | 86.1 | Confident | 74 | Confident | 9 Ų | 9 | 82 Ų | 82 | 6% | 0.055 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -76 | -20.8 | -179.2 | -58 | 0 | 0 | 0 | 0 | 113.3 | L164 L167 W173 F201 M221 L222 | L164-V225 HydrophobicContact CD1-CG2 4.35Å; L167-V225 HydrophobicContact CD2-CG2 3.42Å; L167-V225 VanDerWaalsContact CD2-CG2 3.42Å; W173-V225 HydrophobicContact CH2-CB 4.3Å; W173-V225 HydrophobicContact CZ3-CB 4.02Å; W173-V225 HydrophobicContact CZ3-CG1 4.02Å; F201-V225 HydrophobicContact CB-CG1 4.45Å; F201-V225 HydrophobicContact CD2-CG1 3.68Å; F201-V225 HydrophobicContact CE2-CG1 4.12Å; F201-V225 HydrophobicContact CG-CG1 4.15Å; M221-V225 HydrophobicContact CG-CG1 4.12Å; M221-V225 WeakPolarHBondContact O-CG1 3.42Å; M221-V225 WeakPolarHBondContact O-CG2 3.22Å; M221-V225 PolarHBondContact O-N 3Å; M221-V225 HydrophobicContact SD-CG1 3.85Å; L222-V225 WeakPolarHBondContact O-CG2 3.43Å; L222-V225 PolarHBondContact O-N 3.38Å |
| 226 | H | 80.7 | Confident | 71.4 | Confident | 128 Ų | 128 | 84.3 Ų | 84.3 | 59% | 0.593 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -85.5 | -32.7 | 172.9 | -84.1 | -69.7 | 0 | 0 | 0 | 113.4 | L167 L222 L223 R224 | L167-H226 WeakPolarHBondContact CD2-NE2 3.48Å; L222-H226 WeakPolarHBondContact O-CB 3.37Å; L222-H226 PolarHBondContact O-CD2 3.38Å; L222-H226 PolarHBondContact O-N 3.33Å; L222-H226 VanDerWaalsContact O-N 3.07Å; L223-H226 PolarHBondContact O-N 2.85Å; R224-H226 VanDerWaalsContact C-N 3.33Å |
| 227 | T | 68.4 | Low | 69.2 | Low | 98 Ų | 98 | 89.2 Ų | 89.2 | 60% | 0.601 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -82.7 | -10.3 | -177.1 | 43.4 | 0 | 0 | 0 | 0 | 114.5 | L223 R224 P229 | L223-T227 WeakPolarHBondContact O-CB 3.48Å; L223-T227 WeakPolarHBondContact O-CG2 3.06Å; L223-T227 PolarHBondContact O-N 3Å; L223-T227 PolarHBondContact O-OG1 3.08Å; R224-T227 PolarHBondContact O-OG1 3.36Å; T227-P229 WeakPolarHBondContact O-CD 3.38Å |
| 228 | V | 57.1 | Low | 66.4 | Low | 46 Ų | 46 | 95.9 Ų | 95.9 | 28% | 0.279 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -105.6 | 95.4 | 175.2 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | F201 R224 L230 | F201-V228 HydrophobicContact CE1-CB 4.28Å; F201-V228 HydrophobicContact CE1-CG1 4.43Å; F201-V228 HydrophobicContact CE1-CG2 4.15Å; F201-V228 HydrophobicContact CZ-CB 4.21Å; F201-V228 HydrophobicContact CZ-CG1 4.29Å; R224-V228 WeakPolarHBondContact O-CG2 3.5Å; R224-V228 PolarHBondContact O-N 2.84Å; V228-L230 PolarHBondContact O-N 3.15Å |
| 229 | P | 49.5 | Very low | 63.8 | Low | 91 Ų | 91 | 104.1 Ų | 104.1 | 59% | 0.591 | 56% | 0.555 | S | S | * | * | trans | -52.7 | 136.6 | 159.7 | -20.7 | 31 | 0 | 0 | 0 | 108.8 | T227 D231 | T227-P229 WeakPolarHBondContact O-CD 3.38Å; P229-D231 PolarHBondContact O-N 3.17Å | ||
| 230 | L | 53.9 | Low | 61.3 | Low | 88 Ų | 88 | 107.9 Ų | 107.9 | 46% | 0.461 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.3 | 7 | -176.5 | -78.6 | 165.6 | 0 | 0 | 0 | 114.6 | V228 | V228-L230 PolarHBondContact O-N 3.15Š|
| 231 | D | 40.8 | Very low | 58.5 | Low | 161 Ų | 161 | 110.8 Ų | 110.8 | 86% | 0.861 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.7 | 27.7 | -174.1 | -64.6 | -49.7 | 0 | 0 | 0 | 114.6 | P229 | P229-D231 PolarHBondContact O-N 3.17Š|
| 232 | A | 38.2 | Very low | 55.9 | Low | 70 Ų | 70 | 117.5 Ų | 117.5 | 58% | 0.579 | 63% | 0.633 | S | S | * | * | trans | -120.1 | 96.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D234 | A232-D234 PolarHBondContact O-N 3.45Š| ||
| 233 | R | 54.4 | Low | 53.3 | Low | 254 Ų | 254 | 124.7 Ų | 124.7 | 96% | 0.958 | 67% | 0.671 | S | S | * | * | trans | -53.7 | 110.7 | 145 | -99.8 | 178.2 | 149.8 | 179.7 | -5.5 | 106.4 | ||||
| 234 | D | 38.3 | Very low | 50.9 | Low | 146 Ų | 146 | 126.2 Ų | 126.2 | 78% | 0.781 | 68% | 0.675 | S | S | * | * | trans | -144.7 | 112.7 | 151.1 | -150.4 | 23.9 | 0 | 0 | 0 | 108.7 | A232 | A232-D234 PolarHBondContact O-N 3.45Š| ||
| 235 | G | 48.6 | Very low | 48.1 | Very low | 74 Ų | 74 | 129.7 Ų | 129.7 | 76% | 0.763 | 69% | 0.693 | S | S | * | * | trans | -77.6 | 117.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 236 | N | 40.6 | Very low | 45.7 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | trans | -148.7 | 141.9 | 153.1 | -147.7 | 10.6 | 0 | 0 | 0 | 110.8 | ||||
| 237 | E | 49.5 | Very low | 43.6 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | trans | -82.2 | 152.9 | -150.9 | -53.2 | 176.8 | 144 | 0 | 0 | 113.3 | ||||
| 238 | V | 36.3 | Very low | 42 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | -147.3 | 97 | 139.3 | -175.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 239 | E | 41.9 | Very low | 40.9 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | trans | -63.9 | 135.2 | 158.8 | -66.6 | -76.2 | 108.3 | 0 | 0 | 109.2 | ||||
| 240 | P | 42.3 | Very low | 40 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | trans | -107.8 | 127.9 | 152.1 | 30.9 | -19.1 | 0 | 0 | 0 | 110 | ||||
| 241 | D | 35.5 | Very low | 39.1 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | -36.7 | 150.6 | 176.1 | -84.5 | -70.5 | 0 | 0 | 0 | 116.8 | ||||
| 242 | D | 40.4 | Very low | 39.4 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -47.5 | 135.7 | 174.1 | -64.7 | -74.2 | 0 | 0 | 0 | 115.3 | ||||
| 243 | D | 38.4 | Very low | 39.5 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -133.1 | 106.5 | 140.5 | -93.1 | -43.5 | 0 | 0 | 0 | 110.1 | ||||
| 244 | H | 40.5 | Very low | 38.7 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | trans | -73.3 | 122.5 | 179.9 | -168.1 | 82.4 | 0 | 0 | 0 | 110.7 | S246 | H244-S246 PolarHBondContact CE1-OG 3.3Å; H244-S246 VanDerWaalsContact CE1-OG 3.29Å; H244-S246 PolarHBondContact NE2-OG 3.11Å | ||
| 245 | F | 29.1 | Very low | 38.5 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | -135.1 | 98.9 | 158.1 | -144.1 | -93.7 | 0 | 0 | 0 | 110.6 | I247 | F245-I247 HydrophobicContact CE1-CD1 4.48Å; F245-I247 HydrophobicContact CE1-CG1 4.48Å | ||
| 246 | S | 36.2 | Very low | 38.2 | Very low | 81 Ų | 81 | 142.7 Ų | 142.7 | 57% | 0.566 | 80% | 0.796 | S | S | * | * | trans | -84.1 | 126.9 | 175.2 | -70.8 | 0 | 0 | 0 | 0 | 110.6 | H244 | H244-S246 PolarHBondContact CE1-OG 3.3Å; H244-S246 VanDerWaalsContact CE1-OG 3.29Å; H244-S246 PolarHBondContact NE2-OG 3.11Å | ||
| 247 | I | 36.4 | Very low | 38 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 80% | 0.795 | 80% | 0.802 | S | S | * | * | trans | -123.7 | 112 | 151.9 | -71.3 | 178.9 | 0 | 0 | 0 | 106.9 | F245 | F245-I247 HydrophobicContact CE1-CD1 4.48Å; F245-I247 HydrophobicContact CE1-CG1 4.48Å | ||
| 248 | G | 33.7 | Very low | 37.4 | Very low | 67 Ų | 67 | 147.2 Ų | 147.2 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | -90.6 | 144.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 249 | V | 33.4 | Very low | 38 | Very low | 150 Ų | 150 | 147.3 Ų | 147.3 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -147.1 | 121.7 | 136.8 | 179.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 250 | G | 31.1 | Very low | 38.3 | Very low | 72 Ų | 72 | 141.9 Ų | 141.9 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -86.4 | 154.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 251 | S | 35.5 | Very low | 38.9 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | -169.1 | 109.2 | 125 | -158.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 252 | R | 47.3 | Very low | 40.3 | Very low | 240 Ų | 240 | 136.3 Ų | 136.3 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | 40.7 | 83.6 | 142.6 | -50.1 | -177.7 | 105.5 | 172.1 | 5 | 118.8 | ||||
| 253 | L | 41 | Very low | 42.3 | Very low | 173 Ų | 173 | 129.8 Ų | 129.8 | 91% | 0.906 | 73% | 0.725 | S | S | * | * | trans | -154.2 | 117.2 | 134.1 | 21.2 | 83 | 0 | 0 | 0 | 109.9 | ||||
| 254 | D | 36.5 | Very low | 44.6 | Very low | 178 Ų | 178 | 123 Ų | 123 | 95% | 0.952 | 69% | 0.69 | S | S | * | * | trans | -81.6 | 140.3 | -170.2 | -145.5 | -11.6 | 0 | 0 | 0 | 109.8 | ||||
| 255 | G | 35.3 | Very low | 46.8 | Very low | 66 Ų | 66 | 116.7 Ų | 116.7 | 68% | 0.68 | 66% | 0.66 | S | S | * | * | trans | 120 | 12.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 256 | L | 41.3 | Very low | 49.3 | Very low | 150 Ų | 150 | 109.8 Ų | 109.8 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | trans | -124.5 | 60.1 | 177.8 | -81 | 158.2 | 0 | 0 | 0 | 113 | ||||
| 257 | R | 35.7 | Very low | 51.7 | Low | 237 Ų | 237 | 108.6 Ų | 108.6 | 89% | 0.894 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -131.1 | 71.6 | 166.4 | -62.6 | -174.1 | 88.4 | -164.7 | 5.6 | 109.3 | ||
| 258 | N | 37.3 | Very low | 54 | Low | 164 Ų | 164 | 101.2 Ų | 101.2 | 88% | 0.877 | 59% | 0.586 | S | S | * | * | trans | 172.8 | 88.7 | 157.9 | -90.9 | -13 | 0 | 0 | 0 | 108 | ||||
| 259 | R | 48.4 | Very low | 56.5 | Low | 142 Ų | 142 | 100.8 Ų | 100.8 | 54% | 0.536 | 56% | 0.563 | S | S | . | * | trans | -134.8 | 124.9 | 158.4 | -81.1 | -164.5 | -175 | -89.8 | -9.8 | 108.4 | H308 | R259-H308 PolarHBondContact NH2-CD2 3.46Š| ||
| 260 | G | 50 | Low | 58.7 | Low | 59 Ų | 59 | 97.1 Ų | 97.1 | 61% | 0.608 | 54% | 0.539 | S | S | * | . | trans | -58.9 | -172.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G262 | G260-G262 PolarHBondContact O-N 2.91Š| ||
| 261 | P | 53.1 | Low | 61.3 | Low | 135 Ų | 135 | 94.9 Ų | 94.9 | 88% | 0.877 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -52.1 | 114.8 | -174.2 | 21.1 | -31.8 | 0 | 0 | 0 | 110.2 | ||
| 262 | G | 64.9 | Low | 63.5 | Low | 22 Ų | 22 | 95.9 Ų | 95.9 | 23% | 0.227 | 51% | 0.513 | C | S | . | . | trans | -57.8 | 153.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G260 T264 | G260-G262 PolarHBondContact O-N 2.91Å; G262-T264 PolarHBondContact O-N 3.45Å | ||
| 263 | C | 83.3 | Confident | 65.3 | Low | 3 Ų | 3 | 85.1 Ų | 85.1 | 2% | 0.02 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 103.1 | 178.5 | -166.9 | 0 | 0 | 0 | 0 | 110.9 | L268 Q305 F307 T331 Q332 | C263-L268 WeakPolarHBondContact SG-CD1 3.46Å; C263-Q305 PolarHBondContact SG-O 2.8Å; C263-F307 HydrophobicContact CB-CB 3.63Å; C263-F307 HydrophobicContact CB-CD1 4.14Å; C263-F307 HydrophobicContact CB-CG 4.35Å; C263-T331 CarbonylContact O-C 3.57Å; C263-T331 WeakPolarHBondContact O-CA 3.3Å; C263-Q332 PolarHBondContact O-N 2.85Å |
| 264 | T | 87.6 | Confident | 67.5 | Low | 35 Ų | 35 | 83.7 Ų | 83.7 | 22% | 0.215 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 161.4 | 178.1 | 70.2 | 0 | 0 | 0 | 0 | 111.4 | G262 D266 S267 L268 Q332 | G262-T264 PolarHBondContact O-N 3.45Å; T264-D266 PolarHBondContact O-N 3.48Å; T264-D266 PolarHBondContact OG1-N 2.87Å; T264-S267 WeakPolarHBondContact O-CB 3.46Å; T264-S267 PolarHBondContact O-N 3.45Å; T264-S267 VanDerWaalsContact O-N 3.13Å; T264-S267 PolarHBondContact OG1-N 3.36Å; T264-S267 VanDerWaalsContact OG1-N 3.11Å; T264-S267 PolarHBondContact OG1-OG 3.07Å; T264-L268 PolarHBondContact O-N 3.08Å; T264-Q332 HydrophobicContact CG2-CB 4.34Å |
| 265 | W | 86.1 | Confident | 70 | Confident | 21 Ų | 21 | 79.1 Ų | 79.1 | 8% | 0.08 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.8 | -26.8 | 171.6 | -63.5 | 122.5 | 0 | 0 | 0 | 113.4 | L268 R269 T331 T335 Y358 L359 M362 | W265-L268 HydrophobicContact CE3-CD2 4.17Å; W265-L268 HydrophobicContact CZ3-CD2 3.9Å; W265-R269 WeakPolarHBondContact O-CG 3.48Å; W265-R269 PolarHBondContact O-N 3.38Å; W265-R269 VanDerWaalsContact O-N 3.11Å; W265-R269 PolarHBondContact O-NE 3.07Å; W265-R269 VanDerWaalsContact O-NE 3.14Å; W265-T331 HydrophobicContact CH2-CG2 4.28Å; W265-T335 WeakPolarHBondContact CH2-OG1 3.35Å; W265-T335 VanDerWaalsContact CZ2-OG1 3.26Å; W265-T335 WeakPolarHBondContact CZ2-OG1 3.33Å; W265-Y358 AromaticContact CH2-CD1 3.8Å; W265-Y358 HydrophobicContact CH2-CD1 3.8Å; W265-Y358 AromaticContact CH2-CE1 3.28Å; W265-Y358 HydrophobicContact CH2-CE1 3.28Å; W265-Y358 HydrophobicContact CZ2-CD1 4.4Å; W265-Y358 AromaticContact CZ2-CE1 3.45Å; W265-Y358 HydrophobicContact CZ2-CE1 3.45Å; W265-Y358 VanDerWaalsContact CZ2-CE1 3.45Å; W265-Y358 HydrophobicContact CZ3-CE1 4.27Å; W265-L359 HydrophobicContact CH2-CD2 3.89Å; W265-L359 HydrophobicContact CZ3-CD2 3.69Å; W265-M362 HydrophobicContact CB-CE 4.47Å; W265-M362 HydrophobicContact CD2-CB 3.98Å; W265-M362 HydrophobicContact CD2-CE 3.56Å; W265-M362 HydrophobicContact CD2-CG 4.17Å; W265-M362 HydrophobicContact CE3-CB 3.28Å; W265-M362 HydrophobicContact CE3-CE 4.12Å; W265-M362 HydrophobicContact CE3-CG 3.8Å; W265-M362 HydrophobicContact CG-CE 3.68Å; W265-M362 HydrophobicContact CH2-CB 4.21Å; W265-M362 HydrophobicContact CH2-CG 3.96Å; W265-M362 HydrophobicContact CZ2-CE 4.34Å; W265-M362 HydrophobicContact CZ2-CG 4.29Å; W265-M362 HydrophobicContact CZ3-CB 3.4Å; W265-M362 VanDerWaalsContact CZ3-CB 3.4Å; W265-M362 HydrophobicContact CZ3-CG 3.67Å |
| 266 | D | 81 | Confident | 72.6 | Confident | 49 Ų | 49 | 76 Ų | 76 | 26% | 0.262 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70 | -45.7 | 174.3 | -63.7 | -42.9 | 0 | 0 | 0 | 111.3 | R174 T264 L268 R269 N270 | R174-D266 IonicContact CZ-OD1 3.65Å; R174-D266 VanDerWaalsContact CZ-OD1 3.26Å; R174-D266 IonicContact NH1-OD1 2.65Å; R174-D266 PolarHBondContact NH1-OD1 3.17Å; R174-D266 IonicContact NH2-OD1 3.04Å; R174-D266 PolarHBondContact NH2-OD1 3.43Å; T264-D266 PolarHBondContact O-N 3.48Å; T264-D266 PolarHBondContact OG1-N 2.87Å; D266-L268 VanDerWaalsContact C-N 3.27Å; D266-L268 PolarHBondContact O-N 3.46Å; D266-R269 PolarHBondContact O-N 3.37Å; D266-R269 IonicContact OD1-CZ 2.77Å; D266-R269 IonicContact OD1-NE 2.84Å; D266-R269 IonicContact OD1-NH2 3.67Å; D266-R269 PolarHBondContact OD1-NH2 3.47Å; D266-N270 PolarHBondContact O-N 3.31Å |
| 267 | S | 86.3 | Confident | 74.8 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -53.8 | -47.2 | 171.9 | -51.5 | 0 | 0 | 0 | 0 | 110.5 | T264 R269 N270 S271 | T264-S267 WeakPolarHBondContact O-CB 3.46Å; T264-S267 PolarHBondContact O-N 3.45Å; T264-S267 VanDerWaalsContact O-N 3.13Å; T264-S267 PolarHBondContact OG1-N 3.36Å; T264-S267 VanDerWaalsContact OG1-N 3.11Å; T264-S267 PolarHBondContact OG1-OG 3.07Å; S267-R269 PolarHBondContact O-N 2.86Å; S267-N270 PolarHBondContact O-N 2.89Å; S267-S271 WeakPolarHBondContact O-CB 3.48Å; S267-S271 PolarHBondContact O-N 3.49Å |
| 268 | L | 85.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.8 | -35.8 | -179.8 | -113.8 | 77.2 | 0 | 0 | 0 | 114.4 | C263 T264 W265 D266 I276 R280 Q305 L359 A363 | C263-L268 WeakPolarHBondContact SG-CD1 3.46Å; T264-L268 PolarHBondContact O-N 3.08Å; W265-L268 HydrophobicContact CE3-CD2 4.17Å; W265-L268 HydrophobicContact CZ3-CD2 3.9Å; D266-L268 VanDerWaalsContact C-N 3.27Å; D266-L268 PolarHBondContact O-N 3.46Å; L268-I276 HydrophobicContact CD2-CD1 4.35Å; L268-I276 HydrophobicContact CG-CD1 4.23Å; L268-R280 PolarHBondContact O-NH2 2.8Å; L268-Q305 HydrophobicContact CD1-CB 4.17Å; L268-Q305 HydrophobicContact CD1-CG 4.32Å; L268-L359 HydrophobicContact CD2-CB 4.15Å; L268-L359 HydrophobicContact CD2-CD2 3.65Å; L268-L359 HydrophobicContact CD2-CG 4.38Å; L268-A363 HydrophobicContact CB-CB 4.41Å |
| 269 | R | 85.9 | Confident | 79.6 | Confident | 57 Ų | 57 | 56.9 Ų | 56.9 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -76.7 | -35.8 | 180 | -79.6 | 180 | -72.3 | -124.6 | 13 | 112.9 | R174 W265 D266 S267 R280 M362 | R174-R269 VanDerWaalsContact NH2-CZ 3.31Å; W265-R269 WeakPolarHBondContact O-CG 3.48Å; W265-R269 PolarHBondContact O-N 3.38Å; W265-R269 VanDerWaalsContact O-N 3.11Å; W265-R269 PolarHBondContact O-NE 3.07Å; W265-R269 VanDerWaalsContact O-NE 3.14Å; D266-R269 PolarHBondContact O-N 3.37Å; D266-R269 IonicContact OD1-CZ 2.77Å; D266-R269 IonicContact OD1-NE 2.84Å; D266-R269 IonicContact OD1-NH2 3.67Å; D266-R269 PolarHBondContact OD1-NH2 3.47Å; S267-R269 PolarHBondContact O-N 2.86Å; R269-R280 PolarHBondContact O-NH1 2.8Å; R269-R280 VanDerWaalsContact O-NH1 3.16Å; R269-R280 PolarHBondContact O-NH2 2.86Å; R269-M362 WeakPolarHBondContact CD-O 3.35Å; R269-M362 WeakPolarHBondContact CG-O 3.37Å |
| 270 | N | 80.1 | Confident | 81.4 | Confident | 74 Ų | 74 | 53.4 Ų | 53.4 | 40% | 0.396 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -97 | -0.8 | -176.2 | -61 | -28.1 | 0 | 0 | 0 | 112.9 | E199 D266 S267 | E199-N270 PolarHBondContact OE1-ND2 2.99Å; E199-N270 PolarHBondContact OE2-ND2 3.41Å; D266-N270 PolarHBondContact O-N 3.31Å; S267-N270 PolarHBondContact O-N 2.89Å |
| 271 | S | 84.3 | Confident | 82.9 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 17% | 0.168 | 32% | 0.318 | C | S | . | . | trans | -65.4 | 135.7 | 176 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | S267 G273 Q305 | S267-S271 WeakPolarHBondContact O-CB 3.48Å; S267-S271 PolarHBondContact O-N 3.49Å; S271-G273 PolarHBondContact OG-N 3.37Å; S271-Q305 VanDerWaalsContact OG-CD 3.24Å; S271-Q305 PolarHBondContact OG-NE2 3.15Å; S271-Q305 PolarHBondContact OG-OE1 2.88Å | ||
| 272 | V | 82.6 | Confident | 84 | Confident | 129 Ų | 129 | 50.8 Ų | 50.8 | 78% | 0.782 | 29% | 0.288 | S | S | * | . | trans | -102.3 | 13.4 | 177.2 | -64.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 273 | G | 84.6 | Confident | 84.4 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 14% | 0.144 | 31% | 0.306 | C | S | . | . | trans | -63.2 | 142.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S271 K275 I276 L277 E304 | S271-G273 PolarHBondContact OG-N 3.37Å; G273-K275 VanDerWaalsContact C-N 3.28Å; G273-K275 PolarHBondContact O-N 2.97Å; G273-I276 WeakPolarHBondContact O-CG2 3.34Å; G273-L277 WeakPolarHBondContact O-CB 3.44Å; G273-L277 WeakPolarHBondContact O-CD1 3.29Å; G273-L277 WeakPolarHBondContact O-CG 3.4Å; G273-L277 PolarHBondContact O-N 3.4Å; G273-E304 VanDerWaalsContact C-OE2 3.29Å; G273-E304 VanDerWaalsContact CA-CD 3.41Å; G273-E304 WeakPolarHBondContact CA-OE1 3.44Å; G273-E304 WeakPolarHBondContact CA-OE2 3.44Å | ||
| 274 | E | 87.6 | Confident | 83.4 | Confident | 143 Ų | 143 | 58 Ų | 58 | 67% | 0.668 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.1 | -37.1 | -178.9 | -169.7 | -172.9 | 163.3 | 0 | 0 | 111.3 | S278 E304 | E274-S278 VanDerWaalsContact O-CB 3.23Å; E274-S278 WeakPolarHBondContact O-CB 3.42Å; E274-S278 PolarHBondContact O-N 3.18Å; E274-S278 PolarHBondContact O-OG 2.87Å; E274-E304 PolarHBondContact N-OE2 3.32Å |
| 275 | K | 89.8 | Confident | 82.2 | Confident | 81 Ų | 81 | 59.5 Ų | 59.5 | 35% | 0.352 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -72.3 | -43.8 | -178.1 | -53.9 | -64.6 | 176.8 | 166.8 | 0 | 111.5 | G273 S278 L279 E300 L301 E304 | G273-K275 VanDerWaalsContact C-N 3.28Å; G273-K275 PolarHBondContact O-N 2.97Å; K275-S278 PolarHBondContact O-N 3.14Å; K275-L279 WeakPolarHBondContact O-CB 3.49Å; K275-L279 PolarHBondContact O-N 3.41Å; K275-E300 HydrophobicContact CD-CB 4.5Å; K275-E300 WeakPolarHBondContact CE-OE2 3.46Å; K275-E300 IonicContact NZ-OE2 2.7Å; K275-E300 PolarHBondContact NZ-OE2 2.95Å; K275-L301 HydrophobicContact CB-CD1 4Å; K275-E304 WeakPolarHBondContact CB-OE1 3.49Å; K275-E304 WeakPolarHBondContact CB-OE2 3.48Å; K275-E304 WeakPolarHBondContact CG-OE2 3.15Å; K275-E304 PolarHBondContact N-OE1 2.95Å; K275-E304 PolarHBondContact N-OE2 3.49Å |
| 276 | I | 88.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 175.4 | -168.3 | 66.8 | 0 | 0 | 0 | 111.9 | L268 G273 L279 R280 L301 E304 Q305 A363 | L268-I276 HydrophobicContact CD2-CD1 4.35Å; L268-I276 HydrophobicContact CG-CD1 4.23Å; G273-I276 WeakPolarHBondContact O-CG2 3.34Å; I276-L279 HydrophobicContact CD1-CD2 4.26Å; I276-L279 PolarHBondContact O-N 3.07Å; I276-R280 VanDerWaalsContact O-CG 3.29Å; I276-R280 WeakPolarHBondContact O-CG 3.49Å; I276-R280 PolarHBondContact O-N 2.88Å; I276-L301 HydrophobicContact CB-CD1 3.87Å; I276-L301 HydrophobicContact CD1-CD1 3.98Å; I276-E304 PolarHBondContact N-OE1 3.36Å; I276-Q305 VanDerWaalsContact CG2-NE2 3.33Å; I276-A363 HydrophobicContact CD1-CB 3.87Å; I276-A363 HydrophobicContact CG1-CB 4.32Å |
| 277 | L | 87.9 | Confident | 80.5 | Confident | 77 Ų | 77 | 59.8 Ų | 59.8 | 40% | 0.403 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 175.3 | -71 | 172.8 | 0 | 0 | 0 | 111.7 | G273 R280 S281 | G273-L277 WeakPolarHBondContact O-CB 3.44Å; G273-L277 WeakPolarHBondContact O-CD1 3.29Å; G273-L277 WeakPolarHBondContact O-CG 3.4Å; G273-L277 PolarHBondContact O-N 3.4Å; L277-R280 PolarHBondContact O-N 2.86Å; L277-S281 WeakPolarHBondContact O-CB 3.27Å; L277-S281 PolarHBondContact O-N 2.87Å; L277-S281 VanDerWaalsContact O-N 3.08Å; L277-S281 PolarHBondContact O-OG 2.8Å |
| 278 | S | 86.6 | Confident | 79.4 | Confident | 64 Ų | 64 | 59.8 Ų | 59.8 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 173.4 | -64 | 0 | 0 | 0 | 0 | 111.4 | E274 K275 R280 S281 C282 | E274-S278 VanDerWaalsContact O-CB 3.23Å; E274-S278 WeakPolarHBondContact O-CB 3.42Å; E274-S278 PolarHBondContact O-N 3.18Å; E274-S278 PolarHBondContact O-OG 2.87Å; K275-S278 PolarHBondContact O-N 3.14Å; S278-R280 VanDerWaalsContact C-N 3.34Å; S278-R280 PolarHBondContact O-N 3.11Å; S278-S281 PolarHBondContact O-N 2.83Å; S278-C282 VanDerWaalsContact O-CB 3.3Å; S278-C282 WeakPolarHBondContact O-CB 3.47Å; S278-C282 PolarHBondContact O-N 2.7Å |
| 279 | L | 87.6 | Confident | 78.4 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 5% | 0.052 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 177 | -178.2 | 66.2 | 0 | 0 | 0 | 112.1 | K275 I276 S281 C282 L301 L356 L359 K360 | K275-L279 WeakPolarHBondContact O-CB 3.49Å; K275-L279 PolarHBondContact O-N 3.41Å; I276-L279 HydrophobicContact CD1-CD2 4.26Å; I276-L279 PolarHBondContact O-N 3.07Å; L279-S281 VanDerWaalsContact C-N 3.35Å; L279-C282 PolarHBondContact O-N 2.95Å; L279-L301 HydrophobicContact CD2-CD2 3.75Å; L279-L356 HydrophobicContact CD1-CB 4.21Å; L279-L356 HydrophobicContact CD1-CD2 4.16Å; L279-L356 HydrophobicContact CD2-CD2 4.25Å; L279-L359 HydrophobicContact CD2-CB 4.14Å; L279-K360 HydrophobicContact CD2-CB 4.31Å; L279-K360 HydrophobicContact CG-CB 4.09Å; L279-K360 HydrophobicContact CG-CG 4.49Å; L279-K360 WeakPolarHBondContact O-CD 3.32Å |
| 280 | R | 86.2 | Confident | 77.6 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 176.6 | -70 | 172.7 | -166.3 | -169.8 | 8.9 | 112.1 | L268 R269 I276 L277 S278 C282 K360 A363 | L268-R280 PolarHBondContact O-NH2 2.8Å; R269-R280 PolarHBondContact O-NH1 2.8Å; R269-R280 VanDerWaalsContact O-NH1 3.16Å; R269-R280 PolarHBondContact O-NH2 2.86Å; I276-R280 VanDerWaalsContact O-CG 3.29Å; I276-R280 WeakPolarHBondContact O-CG 3.49Å; I276-R280 PolarHBondContact O-N 2.88Å; L277-R280 PolarHBondContact O-N 2.86Å; S278-R280 VanDerWaalsContact C-N 3.34Å; S278-R280 PolarHBondContact O-N 3.11Å; R280-C282 VanDerWaalsContact C-N 3.34Å; R280-K360 VanDerWaalsContact O-CE 3.3Å; R280-K360 WeakPolarHBondContact O-CE 3.36Å; R280-A363 PolarHBondContact NE-O 3.43Å |
| 281 | S | 81.1 | Confident | 77.3 | Confident | 103 Ų | 103 | 62.5 Ų | 62.5 | 72% | 0.72 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -77.6 | -20 | -177.4 | -52.6 | 0 | 0 | 0 | 0 | 112.9 | L277 S278 L279 | L277-S281 WeakPolarHBondContact O-CB 3.27Å; L277-S281 PolarHBondContact O-N 2.87Å; L277-S281 VanDerWaalsContact O-N 3.08Å; L277-S281 PolarHBondContact O-OG 2.8Å; S278-S281 PolarHBondContact O-N 2.83Å; L279-S281 VanDerWaalsContact C-N 3.35Å |
| 282 | C | 77.3 | Confident | 76.7 | Confident | 36 Ų | 36 | 66 Ų | 66 | 24% | 0.243 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -71.5 | 133.6 | -177.8 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | S278 L279 R280 K360 | S278-C282 VanDerWaalsContact O-CB 3.3Å; S278-C282 WeakPolarHBondContact O-CB 3.47Å; S278-C282 PolarHBondContact O-N 2.7Å; L279-C282 PolarHBondContact O-N 2.95Å; R280-C282 VanDerWaalsContact C-N 3.34Å; C282-K360 WeakPolarHBondContact O-CE 2.9Å; C282-K360 PolarHBondContact O-NZ 2.84Å |
| 283 | S | 71.7 | Confident | 76.9 | Confident | 88 Ų | 88 | 61.1 Ų | 61.1 | 62% | 0.615 | 40% | 0.401 | S | S | * | . | trans | -70.9 | 139.1 | 177 | -73.4 | 0 | 0 | 0 | 0 | 111.9 | G285 S286 | S283-G285 PolarHBondContact O-N 2.73Å; S283-G285 VanDerWaalsContact O-N 3.11Å; S283-S286 WeakPolarHBondContact O-CB 3.39Å; S283-S286 PolarHBondContact O-N 3.12Å | ||
| 284 | L | 63.2 | Low | 77.1 | Confident | 90 Ų | 90 | 60.5 Ų | 60.5 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -56.5 | -32.7 | -175.4 | -136.7 | 73 | 0 | 0 | 0 | 112.8 | Q357 K360 | L284-Q357 HydrophobicContact CD1-CG 4.19Å; L284-K360 HydrophobicContact CD1-CD 3.9Å |
| 285 | G | 61.5 | Low | 77.3 | Confident | 66 Ų | 66 | 55 Ų | 55 | 68% | 0.68 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -71.4 | -25.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S283 L287 G288 | S283-G285 PolarHBondContact O-N 2.73Å; S283-G285 VanDerWaalsContact O-N 3.11Å; G285-L287 VanDerWaalsContact C-N 3.27Å; G285-L287 PolarHBondContact O-N 2.83Å; G285-G288 PolarHBondContact O-N 2.9Å |
| 286 | S | 66.4 | Low | 77.5 | Confident | 63 Ų | 63 | 58.4 Ų | 58.4 | 44% | 0.441 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -72 | -23.4 | 177.6 | -169 | 0 | 0 | 0 | 0 | 112.4 | S283 G288 | S283-S286 WeakPolarHBondContact O-CB 3.39Å; S283-S286 PolarHBondContact O-N 3.12Å; S286-G288 VanDerWaalsContact C-N 3.29Å |
| 287 | L | 64.6 | Low | 77.6 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 7% | 0.068 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -69.9 | -26.2 | 174.3 | -115.1 | 78.1 | 0 | 0 | 0 | 112.8 | G285 A289 L290 R353 L356 | G285-L287 VanDerWaalsContact C-N 3.27Å; G285-L287 PolarHBondContact O-N 2.83Å; L287-A289 VanDerWaalsContact C-N 3.32Å; L287-A289 PolarHBondContact O-N 3.06Å; L287-L290 HydrophobicContact CD1-CD1 4.4Å; L287-L290 PolarHBondContact O-N 2.93Å; L287-R353 HydrophobicContact CB-CG 4.16Å; L287-R353 HydrophobicContact CD2-CG 4.02Å; L287-R353 HydrophobicContact CG-CG 4.4Å; L287-L356 HydrophobicContact CD2-CB 3.65Å; L287-L356 HydrophobicContact CD2-CD1 4.26Å |
| 288 | G | 63.1 | Low | 77.9 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 57% | 0.567 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -29.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G285 S286 | G285-G288 PolarHBondContact O-N 2.9Å; S286-G288 VanDerWaalsContact C-N 3.29Å |
| 289 | A | 66.1 | Low | 78.3 | Confident | 92 Ų | 92 | 56 Ų | 56 | 76% | 0.76 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -12.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L287 | L287-A289 VanDerWaalsContact C-N 3.32Å; L287-A289 PolarHBondContact O-N 3.06Å |
| 290 | L | 68.3 | Low | 78.6 | Confident | 64 Ų | 64 | 57.8 Ų | 57.8 | 34% | 0.335 | 38% | 0.378 | S | S | . | . | trans | -80.8 | -18.5 | -172.4 | -80.8 | 162.2 | 0 | 0 | 0 | 113.4 | L287 A293 | L287-L290 HydrophobicContact CD1-CD1 4.4Å; L287-L290 PolarHBondContact O-N 2.93Å; L290-A293 HydrophobicContact CB-CB 4.3Å; L290-A293 HydrophobicContact CD2-CB 3.93Å; L290-A293 WeakPolarHBondContact O-CA 3.43Å; L290-A293 WeakPolarHBondContact O-CB 3.29Å; L290-A293 PolarHBondContact O-N 3.14Å | ||
| 291 | G | 73.3 | Confident | 78.9 | Confident | 33 Ų | 33 | 54.7 Ų | 54.7 | 34% | 0.34 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | -123.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A293 C294 | G291-A293 PolarHBondContact O-N 2.62Å; G291-C294 WeakPolarHBondContact O-CB 3.34Å; G291-C294 PolarHBondContact O-N 2.93Å; G291-C294 VanDerWaalsContact O-N 3.17Å; G291-C294 PolarHBondContact O-SG 3.1Å |
| 292 | P | 73.5 | Confident | 79.5 | Confident | 96 Ų | 96 | 50.5 Ų | 50.5 | 62% | 0.623 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -16.2 | 179.7 | 29.4 | -34.9 | 0 | 0 | 0 | 114 | C294 C295 | P292-C294 PolarHBondContact O-N 3.23Å; P292-C295 WeakPolarHBondContact O-CB 3.37Å; P292-C295 PolarHBondContact O-N 3Å |
| 293 | A | 85.6 | Confident | 80.2 | Confident | 27 Ų | 27 | 56.1 Ų | 56.1 | 22% | 0.223 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.1 | -18.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L290 G291 C295 R296 V297 | L290-A293 HydrophobicContact CB-CB 4.3Å; L290-A293 HydrophobicContact CD2-CB 3.93Å; L290-A293 WeakPolarHBondContact O-CA 3.43Å; L290-A293 WeakPolarHBondContact O-CB 3.29Å; L290-A293 PolarHBondContact O-N 3.14Å; G291-A293 PolarHBondContact O-N 2.62Å; A293-C295 VanDerWaalsContact C-N 3.25Å; A293-C295 PolarHBondContact O-N 2.79Å; A293-R296 PolarHBondContact O-N 3.13Å; A293-V297 WeakPolarHBondContact O-CG2 3.49Å; A293-V297 PolarHBondContact O-N 2.83Å |
| 294 | C | 89.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.007 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.1 | -37.3 | 172.8 | -62.7 | 0 | 0 | 0 | 0 | 112 | G291 P292 R296 V297 L298 A352 R353 L356 | G291-C294 WeakPolarHBondContact O-CB 3.34Å; G291-C294 PolarHBondContact O-N 2.93Å; G291-C294 VanDerWaalsContact O-N 3.17Å; G291-C294 PolarHBondContact O-SG 3.1Å; P292-C294 PolarHBondContact O-N 3.23Å; C294-R296 VanDerWaalsContact C-N 3.34Å; C294-R296 PolarHBondContact O-N 3.32Å; C294-V297 PolarHBondContact O-N 3.1Å; C294-L298 WeakPolarHBondContact O-CB 3.43Å; C294-L298 PolarHBondContact O-N 2.72Å; C294-A352 HydrophobicContact CB-CB 4.02Å; C294-R353 HydrophobicContact CB-CB 4.3Å; C294-L356 HydrophobicContact CB-CD1 4.12Å |
| 295 | C | 91.6 | Very high | 82.4 | Confident | 29 Ų | 29 | 51.5 Ų | 51.5 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 111 | P292 A293 L298 S299 | P292-C295 WeakPolarHBondContact O-CB 3.37Å; P292-C295 PolarHBondContact O-N 3Å; A293-C295 VanDerWaalsContact C-N 3.25Å; A293-C295 PolarHBondContact O-N 2.79Å; C295-L298 PolarHBondContact O-N 3.31Å; C295-S299 PolarHBondContact O-N 2.82Å; C295-S299 PolarHBondContact O-OG 3.02Å |
| 296 | R | 92.5 | Very high | 83.7 | Confident | 151 Ų | 151 | 51.6 Ų | 51.6 | 57% | 0.57 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.5 | -47.1 | 177.6 | -178.1 | 174 | 65 | 99.1 | -9.3 | 111.7 | A293 C294 L298 S299 E300 | A293-R296 PolarHBondContact O-N 3.13Å; C294-R296 VanDerWaalsContact C-N 3.34Å; C294-R296 PolarHBondContact O-N 3.32Å; R296-L298 VanDerWaalsContact C-N 3.3Å; R296-L298 PolarHBondContact O-N 2.91Å; R296-S299 PolarHBondContact O-N 2.98Å; R296-E300 WeakPolarHBondContact CG-OE1 3.33Å; R296-E300 IonicContact CZ-OE1 2.72Å; R296-E300 IonicContact NH1-OE1 3.65Å; R296-E300 PolarHBondContact NH1-OE1 2.87Å; R296-E300 WeakPolarHBondContact O-CG 3.16Å; R296-E300 PolarHBondContact O-N 2.86Å |
| 297 | V | 92.6 | Very high | 85 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 177.7 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | A293 C294 E300 L301 L356 | A293-V297 WeakPolarHBondContact O-CG2 3.49Å; A293-V297 PolarHBondContact O-N 2.83Å; C294-V297 PolarHBondContact O-N 3.1Å; V297-E300 PolarHBondContact O-N 2.87Å; V297-L301 WeakPolarHBondContact O-CB 3.46Å; V297-L301 PolarHBondContact O-N 3.25Å; V297-L356 HydrophobicContact CB-CD1 4.06Å; V297-L356 HydrophobicContact CG1-CD1 3.95Å; V297-L356 HydrophobicContact CG1-CD2 4.04Å |
| 298 | L | 94 | Very high | 86.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.7 | -38.6 | 177.4 | -175 | 60.2 | 0 | 0 | 0 | 112.1 | C294 C295 R296 L301 S302 F307 V309 V327 L329 A352 A355 L356 L359 | C294-L298 WeakPolarHBondContact O-CB 3.43Å; C294-L298 PolarHBondContact O-N 2.72Å; C295-L298 PolarHBondContact O-N 3.31Å; R296-L298 VanDerWaalsContact C-N 3.3Å; R296-L298 PolarHBondContact O-N 2.91Å; L298-L301 PolarHBondContact O-N 3.41Å; L298-S302 WeakPolarHBondContact O-CB 3.37Å; L298-S302 PolarHBondContact O-N 3.38Å; L298-F307 HydrophobicContact CD1-CE2 4.32Å; L298-F307 HydrophobicContact CD1-CZ 4.36Å; L298-V309 HydrophobicContact CD2-CG1 3.93Å; L298-V309 HydrophobicContact CG-CG1 4.28Å; L298-V309 HydrophobicContact CG-CG2 4.09Å; L298-V327 HydrophobicContact CD2-CG2 4.13Å; L298-L329 HydrophobicContact CD1-CD2 4.21Å; L298-L329 HydrophobicContact CD2-CD2 4.15Å; L298-A352 HydrophobicContact CD2-CB 3.88Å; L298-A355 HydrophobicContact CD1-CB 4.38Å; L298-A355 HydrophobicContact CD2-CB 3.85Å; L298-L356 HydrophobicContact CB-CD1 4.41Å; L298-L356 HydrophobicContact CB-CD2 4.09Å; L298-L356 HydrophobicContact CB-CG 4.13Å; L298-L356 HydrophobicContact CD1-CD2 3.84Å; L298-L356 HydrophobicContact CD1-CG 4.15Å; L298-L359 HydrophobicContact CD1-CD1 3.78Å |
| 299 | S | 93.4 | Very high | 87.9 | Confident | 47 Ų | 47 | 50.3 Ų | 50.3 | 33% | 0.329 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.5 | -50.3 | 172.8 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | C295 R296 L301 S302 E303 | C295-S299 PolarHBondContact O-N 2.82Å; C295-S299 PolarHBondContact O-OG 3.02Å; R296-S299 PolarHBondContact O-N 2.98Å; S299-L301 VanDerWaalsContact C-N 3.26Å; S299-L301 PolarHBondContact O-N 2.85Å; S299-S302 WeakPolarHBondContact O-CB 3.49Å; S299-S302 PolarHBondContact O-N 3.27Å; S299-S302 PolarHBondContact O-OG 3.09Å; S299-E303 PolarHBondContact O-N 3.33Å; S299-E303 VanDerWaalsContact O-N 3.09Å |
| 300 | E | 93.9 | Very high | 89.3 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.5 | -41.3 | 176.7 | -71.1 | 176 | -156.7 | 0 | 0 | 111.5 | K275 R296 V297 E304 | K275-E300 HydrophobicContact CD-CB 4.5Å; K275-E300 WeakPolarHBondContact CE-OE2 3.46Å; K275-E300 IonicContact NZ-OE2 2.7Å; K275-E300 PolarHBondContact NZ-OE2 2.95Å; R296-E300 WeakPolarHBondContact CG-OE1 3.33Å; R296-E300 IonicContact CZ-OE1 2.72Å; R296-E300 IonicContact NH1-OE1 3.65Å; R296-E300 PolarHBondContact NH1-OE1 2.87Å; R296-E300 WeakPolarHBondContact O-CG 3.16Å; R296-E300 PolarHBondContact O-N 2.86Å; V297-E300 PolarHBondContact O-N 2.87Å; E300-E304 PolarHBondContact O-N 3.33Å; E300-E304 VanDerWaalsContact O-N 3.14Å |
| 301 | L | 93.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.1 | -36 | 177.1 | -170.7 | 69.7 | 0 | 0 | 0 | 112.6 | K275 I276 L279 V297 L298 S299 E303 E304 Q305 F307 L356 L359 | K275-L301 HydrophobicContact CB-CD1 4Å; I276-L301 HydrophobicContact CB-CD1 3.87Å; I276-L301 HydrophobicContact CD1-CD1 3.98Å; L279-L301 HydrophobicContact CD2-CD2 3.75Å; V297-L301 WeakPolarHBondContact O-CB 3.46Å; V297-L301 PolarHBondContact O-N 3.25Å; L298-L301 PolarHBondContact O-N 3.41Å; S299-L301 VanDerWaalsContact C-N 3.26Å; S299-L301 PolarHBondContact O-N 2.85Å; L301-E303 VanDerWaalsContact C-N 3.34Å; L301-E304 PolarHBondContact O-N 2.92Å; L301-Q305 HydrophobicContact CD1-CG 4Å; L301-Q305 HydrophobicContact CG-CG 4.21Å; L301-Q305 WeakPolarHBondContact O-CB 3.22Å; L301-Q305 VanDerWaalsContact O-CG 3.31Å; L301-Q305 WeakPolarHBondContact O-CG 3.43Å; L301-Q305 PolarHBondContact O-N 2.78Å; L301-F307 HydrophobicContact CB-CZ 4.49Å; L301-F307 HydrophobicContact CD2-CZ 4.29Å; L301-F307 HydrophobicContact CG-CE1 4.28Å; L301-F307 HydrophobicContact CG-CZ 4.2Å; L301-L356 HydrophobicContact CD2-CD2 3.97Å; L301-L359 HydrophobicContact CD2-CD1 3.51Å |
| 302 | S | 93.6 | Very high | 91.7 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.9 | -36.5 | 179.3 | 77.9 | 0 | 0 | 0 | 0 | 112.6 | L298 S299 A306 F307 V309 | L298-S302 WeakPolarHBondContact O-CB 3.37Å; L298-S302 PolarHBondContact O-N 3.38Å; S299-S302 WeakPolarHBondContact O-CB 3.49Å; S299-S302 PolarHBondContact O-N 3.27Å; S299-S302 PolarHBondContact O-OG 3.09Å; S302-A306 WeakPolarHBondContact O-CA 3.32Å; S302-A306 PolarHBondContact O-N 2.96Å; S302-F307 VanDerWaalsContact CB-CE2 3.43Å; S302-F307 WeakPolarHBondContact CB-O 3.22Å; S302-F307 PolarHBondContact O-N 2.98Å; S302-V309 VanDerWaalsContact CB-CG2 3.46Å |
| 303 | E | 92 | Very high | 92.7 | Very high | 154 Ų | 154 | 49 Ų | 49 | 72% | 0.72 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.3 | -45.8 | 173.1 | -68.5 | 172.1 | -170.2 | 0 | 0 | 110.9 | S299 L301 Q305 | S299-E303 PolarHBondContact O-N 3.33Å; S299-E303 VanDerWaalsContact O-N 3.09Å; L301-E303 VanDerWaalsContact C-N 3.34Å; E303-Q305 PolarHBondContact O-N 3.43Å |
| 304 | E | 92.3 | Very high | 93.1 | Very high | 65 Ų | 65 | 50.6 Ų | 50.6 | 30% | 0.304 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 179.9 | -172.4 | -176.2 | 79.2 | 0 | 0 | 112.6 | G273 E274 K275 I276 E300 L301 | G273-E304 VanDerWaalsContact C-OE2 3.29Å; G273-E304 VanDerWaalsContact CA-CD 3.41Å; G273-E304 WeakPolarHBondContact CA-OE1 3.44Å; G273-E304 WeakPolarHBondContact CA-OE2 3.44Å; E274-E304 PolarHBondContact N-OE2 3.32Å; K275-E304 WeakPolarHBondContact CB-OE1 3.49Å; K275-E304 WeakPolarHBondContact CB-OE2 3.48Å; K275-E304 WeakPolarHBondContact CG-OE2 3.15Å; K275-E304 PolarHBondContact N-OE1 2.95Å; K275-E304 PolarHBondContact N-OE2 3.49Å; I276-E304 PolarHBondContact N-OE1 3.36Å; E300-E304 PolarHBondContact O-N 3.33Å; E300-E304 VanDerWaalsContact O-N 3.14Å; L301-E304 PolarHBondContact O-N 2.92Å |
| 305 | Q | 89.7 | Confident | 93.1 | Very high | 16 Ų | 16 | 60 Ų | 60 | 8% | 0.075 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 5.4 | -174.3 | -55.2 | -58.4 | -41.2 | 0 | 0 | 113.2 | C263 L268 S271 I276 L301 E303 F307 | C263-Q305 PolarHBondContact SG-O 2.8Å; L268-Q305 HydrophobicContact CD1-CB 4.17Å; L268-Q305 HydrophobicContact CD1-CG 4.32Å; S271-Q305 VanDerWaalsContact OG-CD 3.24Å; S271-Q305 PolarHBondContact OG-NE2 3.15Å; S271-Q305 PolarHBondContact OG-OE1 2.88Å; I276-Q305 VanDerWaalsContact CG2-NE2 3.33Å; L301-Q305 HydrophobicContact CD1-CG 4Å; L301-Q305 HydrophobicContact CG-CG 4.21Å; L301-Q305 WeakPolarHBondContact O-CB 3.22Å; L301-Q305 VanDerWaalsContact O-CG 3.31Å; L301-Q305 WeakPolarHBondContact O-CG 3.43Å; L301-Q305 PolarHBondContact O-N 2.78Å; E303-Q305 PolarHBondContact O-N 3.43Å; Q305-F307 HydrophobicContact CB-CD1 3.63Å; Q305-F307 HydrophobicContact CB-CE1 3.63Å; Q305-F307 HydrophobicContact CG-CE1 4.19Å; Q305-F307 PolarHBondContact O-N 2.91Å |
| 306 | A | 89.3 | Confident | 93.2 | Very high | 68 Ų | 68 | 66 Ų | 66 | 56% | 0.562 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 46.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S302 | S302-A306 WeakPolarHBondContact O-CA 3.32Å; S302-A306 PolarHBondContact O-N 2.96Å |
| 307 | F | 92.6 | Very high | 93.1 | Very high | 5 Ų | 5 | 63.8 Ų | 63.8 | 2% | 0.022 | 33% | 0.332 | C | S | . | . | trans | -116.2 | 161.6 | 167 | 62.4 | -93.4 | 0 | 0 | 0 | 111.9 | C263 L298 L301 S302 Q305 V309 L329 T331 L359 | C263-F307 HydrophobicContact CB-CB 3.63Å; C263-F307 HydrophobicContact CB-CD1 4.14Å; C263-F307 HydrophobicContact CB-CG 4.35Å; L298-F307 HydrophobicContact CD1-CE2 4.32Å; L298-F307 HydrophobicContact CD1-CZ 4.36Å; L301-F307 HydrophobicContact CB-CZ 4.49Å; L301-F307 HydrophobicContact CD2-CZ 4.29Å; L301-F307 HydrophobicContact CG-CE1 4.28Å; L301-F307 HydrophobicContact CG-CZ 4.2Å; S302-F307 VanDerWaalsContact CB-CE2 3.43Å; S302-F307 WeakPolarHBondContact CB-O 3.22Å; S302-F307 PolarHBondContact O-N 2.98Å; Q305-F307 HydrophobicContact CB-CD1 3.63Å; Q305-F307 HydrophobicContact CB-CE1 3.63Å; Q305-F307 HydrophobicContact CG-CE1 4.19Å; Q305-F307 PolarHBondContact O-N 2.91Å; F307-V309 HydrophobicContact CD2-CG2 4.01Å; F307-V309 HydrophobicContact CE2-CG2 3.68Å; F307-L329 HydrophobicContact CD2-CB 4.26Å; F307-L329 HydrophobicContact CE2-CB 4.47Å; F307-L329 HydrophobicContact CE2-CD1 4.49Å; F307-L329 HydrophobicContact CE2-CD2 4.08Å; F307-T331 HydrophobicContact CG-CG2 4.48Å; F307-L359 HydrophobicContact CE1-CD1 4.44Å; F307-L359 HydrophobicContact CE2-CD1 4.44Å; F307-L359 HydrophobicContact CZ-CD1 3.76Å | ||
| 308 | H | 93.2 | Very high | 93 | Very high | 80 Ų | 80 | 62.6 Ų | 62.6 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | trans | -95.2 | 146.5 | 174.5 | -169.6 | -111.3 | 0 | 0 | 0 | 111.1 | R259 L329 S330 | R259-H308 PolarHBondContact NH2-CD2 3.46Å; H308-L329 WeakPolarHBondContact O-CA 3.32Å; H308-S330 PolarHBondContact N-OG 3.43Å; H308-S330 PolarHBondContact O-N 3.4Å | ||
| 309 | V | 95.6 | Very high | 92.8 | Very high | 19 Ų | 19 | 71.8 Ų | 71.8 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118.7 | 172.6 | -174.9 | 0 | 0 | 0 | 0 | 107.8 | L298 S302 F307 Y311 V327 E328 L329 | L298-V309 HydrophobicContact CD2-CG1 3.93Å; L298-V309 HydrophobicContact CG-CG1 4.28Å; L298-V309 HydrophobicContact CG-CG2 4.09Å; S302-V309 VanDerWaalsContact CB-CG2 3.46Å; F307-V309 HydrophobicContact CD2-CG2 4.01Å; F307-V309 HydrophobicContact CE2-CG2 3.68Å; V309-Y311 HydrophobicContact CG1-CD2 4.17Å; V309-Y311 HydrophobicContact CG1-CE2 3.53Å; V309-V327 HydrophobicContact CG1-CG2 3.48Å; V309-V327 VanDerWaalsContact CG1-CG2 3.48Å; V309-E328 WeakPolarHBondContact CA-O 3.39Å; V309-L329 HydrophobicContact CB-CD2 4.42Å; V309-L329 HydrophobicContact CG1-CD2 4.08Å; V309-L329 HydrophobicContact CG2-CD2 3.93Å |
| 310 | S | 95.8 | Very high | 92.7 | Very high | 48 Ų | 48 | 73.8 Ų | 73.8 | 34% | 0.336 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135 | 174 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | V327 E328 | S310-V327 CarbonylContact O-C 3.55Å; S310-V327 VanDerWaalsContact O-CA 3.32Å; S310-V327 WeakPolarHBondContact O-CA 3.28Å; S310-E328 PolarHBondContact N-O 3.3Å; S310-E328 PolarHBondContact O-N 2.96Å |
| 311 | Y | 95.7 | Very high | 92.7 | Very high | 55 Ų | 55 | 73.7 Ų | 73.7 | 22% | 0.216 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 132.7 | 174.3 | -67 | -89.8 | 0 | 0 | 0 | 109.6 | V309 L326 V327 R348 A352 | V309-Y311 HydrophobicContact CG1-CD2 4.17Å; V309-Y311 HydrophobicContact CG1-CE2 3.53Å; Y311-L326 CarbonylContact C-O 3.5Å; Y311-L326 WeakPolarHBondContact CA-O 3.34Å; Y311-V327 HydrophobicContact CD1-CB 3.91Å; Y311-V327 HydrophobicContact CD1-CG2 3.91Å; Y311-V327 HydrophobicContact CE1-CB 3.88Å; Y311-V327 HydrophobicContact CE1-CG2 3.65Å; Y311-V327 HydrophobicContact CE2-CG2 4.48Å; Y311-V327 HydrophobicContact CG-CG2 4.44Å; Y311-R348 HydrophobicContact CD1-CB 4.4Å; Y311-R348 HydrophobicContact CD1-CG 4.13Å; Y311-A352 HydrophobicContact CE1-CB 4.26Å |
| 312 | L | 96.5 | Very high | 92.8 | Very high | 105 Ų | 105 | 75.8 Ų | 75.8 | 55% | 0.55 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 106 | 174.7 | 178.7 | 65.3 | 0 | 0 | 0 | 108.4 | C325 L326 | L312-C325 WeakPolarHBondContact O-CA 3.29Å; L312-L326 HydrophobicContact CB-CB 4.36Å; L312-L326 HydrophobicContact CD2-CD1 4.46Å; L312-L326 PolarHBondContact N-O 3.12Å; L312-L326 PolarHBondContact O-N 3.43Å |
| 313 | D | 94.1 | Very high | 92.8 | Very high | 50 Ų | 50 | 76.1 Ų | 76.1 | 27% | 0.267 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 132.2 | 173.1 | -61 | -25.1 | 0 | 0 | 0 | 109.3 | C325 R348 | D313-C325 PolarHBondContact OD1-SG 2.89Å; D313-R348 VanDerWaalsContact CG-NE 3.34Å; D313-R348 WeakPolarHBondContact OD1-CG 3.4Å; D313-R348 IonicContact OD1-CZ 2.63Å; D313-R348 IonicContact OD1-NE 2.81Å; D313-R348 PolarHBondContact OD1-NE 3.4Å; D313-R348 IonicContact OD1-NH2 2.72Å; D313-R348 IonicContact OD2-CZ 3.63Å; D313-R348 IonicContact OD2-NE 3.37Å; D313-R348 PolarHBondContact OD2-NE 3.11Å; D313-R348 IonicContact OD2-NH2 3.94Å; D313-R348 PolarHBondContact OD2-NH2 3.37Å |
| 314 | I | 94.3 | Very high | 93 | Very high | 60 Ų | 60 | 71 Ų | 71 | 31% | 0.308 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 119.7 | 176.6 | -58.6 | 172.7 | 0 | 0 | 0 | 107 | E316 Q324 L326 | I314-E316 HydrophobicContact CG2-CB 4.2Å; I314-E316 PolarHBondContact O-N 3.02Å; I314-Q324 HydrophobicContact CB-CB 4Å; I314-Q324 HydrophobicContact CD1-CB 4.04Å; I314-Q324 HydrophobicContact CG1-CB 4.43Å; I314-Q324 PolarHBondContact N-O 3.48Å; I314-L326 HydrophobicContact CD1-CD1 4.32Å; I314-L326 HydrophobicContact CD1-CG 4.2Å |
| 315 | E | 90.3 | Very high | 93.2 | Very high | 198 Ų | 198 | 67.9 Ų | 67.9 | 93% | 0.925 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -63.7 | -32.6 | -178.5 | -65.4 | -174.4 | 169.7 | 0 | 0 | 112.2 | ||
| 316 | E | 91.9 | Very high | 93.6 | Very high | 154 Ų | 154 | 69.6 Ų | 69.6 | 72% | 0.72 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -74.3 | 129.7 | 177.3 | -65.6 | -178.3 | -173.5 | 0 | 0 | 112.2 | I314 Q324 | I314-E316 HydrophobicContact CG2-CB 4.2Å; I314-E316 PolarHBondContact O-N 3.02Å; E316-Q324 PolarHBondContact O-NE2 3.49Å |
| 317 | L | 91.7 | Very high | 93.9 | Very high | 105 Ų | 105 | 66.4 Ų | 66.4 | 55% | 0.55 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 144.7 | 171.1 | -61.8 | 176.3 | 0 | 0 | 0 | 110.2 | ||
| 318 | S | 90.3 | Very high | 94.1 | Very high | 20 Ų | 20 | 71 Ų | 71 | 14% | 0.14 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 166.7 | 170.4 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | S320 G321 L322 | S318-S320 PolarHBondContact O-N 3.26Å; S318-S320 PolarHBondContact OG-OG 2.96Å; S318-S320 VanDerWaalsContact OG-OG 3.07Å; S318-G321 WeakPolarHBondContact O-CA 3.14Å; S318-G321 PolarHBondContact O-N 3.09Å; S318-L322 PolarHBondContact N-O 2.95Å; S318-L322 WeakPolarHBondContact OG-CA 3.24Å; S318-L322 VanDerWaalsContact OG-CB 3.32Å; S318-L322 WeakPolarHBondContact OG-CB 3.27Å; S318-L322 PolarHBondContact OG-N 3.44Å; S318-L322 PolarHBondContact OG-O 3.35Å |
| 319 | L | 89.7 | Confident | 94.2 | Very high | 194 Ų | 194 | 67.1 Ų | 67.1 | 100% | 1.016 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.8 | 175.3 | -61.8 | 176.5 | 0 | 0 | 0 | 113.5 | ||
| 320 | S | 91.8 | Very high | 94 | Very high | 89 Ų | 89 | 68.2 Ų | 68.2 | 62% | 0.622 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 6.6 | 174.3 | 50.7 | 0 | 0 | 0 | 0 | 114.2 | S318 | S318-S320 PolarHBondContact O-N 3.26Å; S318-S320 PolarHBondContact OG-OG 2.96Å; S318-S320 VanDerWaalsContact OG-OG 3.07Å |
| 321 | G | 92.8 | Very high | 93.7 | Very high | 44 Ų | 44 | 66.1 Ų | 66.1 | 45% | 0.454 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 75 | 17.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | S318 | S318-G321 WeakPolarHBondContact O-CA 3.14Å; S318-G321 PolarHBondContact O-N 3.09Å |
| 322 | L | 94.9 | Very high | 93.2 | Very high | 48 Ų | 48 | 68.9 Ų | 68.9 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | trans | -94.9 | 142 | -180 | -55.5 | 176 | 0 | 0 | 0 | 111.4 | S318 A341 T342 | S318-L322 PolarHBondContact N-O 2.95Å; S318-L322 WeakPolarHBondContact OG-CA 3.24Å; S318-L322 VanDerWaalsContact OG-CB 3.32Å; S318-L322 WeakPolarHBondContact OG-CB 3.27Å; S318-L322 PolarHBondContact OG-N 3.44Å; S318-L322 PolarHBondContact OG-O 3.35Å; L322-A341 CarbonylContact C-O 3.58Å; L322-A341 WeakPolarHBondContact CA-O 3.31Å; L322-A341 WeakPolarHBondContact CB-O 3.31Å; L322-T342 HydrophobicContact CD2-CG2 3.84Å | ||
| 323 | C | 95.1 | Very high | 92.8 | Very high | 22 Ų | 22 | 68.3 Ų | 68.3 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 145.3 | 167.2 | -60 | 0 | 0 | 0 | 0 | 110.4 | S340 A341 R344 A347 | C323-S340 CarbonylContact O-C 3.6Å; C323-S340 WeakPolarHBondContact O-CA 3.11Å; C323-A341 WeakPolarHBondContact CA-O 3.44Å; C323-A341 WeakPolarHBondContact CB-O 3.48Å; C323-A341 PolarHBondContact N-O 2.99Å; C323-A341 PolarHBondContact O-N 3.27Å; C323-R344 HydrophobicContact CB-CG 4.36Å; C323-A347 HydrophobicContact CB-CB 4.19Å; C323-A347 WeakPolarHBondContact O-CB 3.44Å |
| 324 | Q | 96.3 | Very high | 92.5 | Very high | 45 Ų | 45 | 69 Ų | 69 | 21% | 0.21 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 145.2 | -175.7 | -62.4 | 176.3 | 103.6 | 0 | 0 | 110.8 | I314 E316 G339 | I314-Q324 HydrophobicContact CB-CB 4Å; I314-Q324 HydrophobicContact CD1-CB 4.04Å; I314-Q324 HydrophobicContact CG1-CB 4.43Å; I314-Q324 PolarHBondContact N-O 3.48Å; E316-Q324 PolarHBondContact O-NE2 3.49Å; Q324-G339 WeakPolarHBondContact CA-O 3.36Å |
| 325 | C | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 140.8 | 177.6 | -175 | 0 | 0 | 0 | 0 | 110.2 | L312 D313 H338 G339 A347 R348 A351 | L312-C325 WeakPolarHBondContact O-CA 3.29Å; D313-C325 PolarHBondContact OD1-SG 2.89Å; C325-H338 CarbonylContact O-C 3.08Å; C325-H338 WeakPolarHBondContact O-CA 3.25Å; C325-G339 PolarHBondContact N-O 3.41Å; C325-G339 PolarHBondContact O-N 2.82Å; C325-A347 HydrophobicContact CB-CB 4.09Å; C325-R348 HydrophobicContact CB-CG 4.21Å; C325-R348 WeakPolarHBondContact SG-CG 3.41Å; C325-A351 HydrophobicContact CB-CB 4.42Å |
| 326 | L | 97.1 | Very high | 92.7 | Very high | 53 Ų | 53 | 61.2 Ų | 61.2 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137.4 | 168.4 | -64.2 | 174.5 | 0 | 0 | 0 | 109.3 | Y311 L312 I314 V336 C337 H338 | Y311-L326 CarbonylContact C-O 3.5Å; Y311-L326 WeakPolarHBondContact CA-O 3.34Å; L312-L326 HydrophobicContact CB-CB 4.36Å; L312-L326 HydrophobicContact CD2-CD1 4.46Å; L312-L326 PolarHBondContact N-O 3.12Å; L312-L326 PolarHBondContact O-N 3.43Å; I314-L326 HydrophobicContact CD1-CD1 4.32Å; I314-L326 HydrophobicContact CD1-CG 4.2Å; L326-V336 HydrophobicContact CB-CG1 4.35Å; L326-V336 HydrophobicContact CD2-CG1 4.19Å; L326-C337 CarbonylContact C-O 3.56Å; L326-C337 WeakPolarHBondContact CA-O 3.47Å; L326-H338 HydrophobicContact CD2-CB 3.69Å |
| 327 | V | 97 | Very high | 92.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.9 | 168.3 | 65 | 0 | 0 | 0 | 0 | 109.3 | L298 V309 S310 Y311 L329 V336 C337 A351 A355 | L298-V327 HydrophobicContact CD2-CG2 4.13Å; V309-V327 HydrophobicContact CG1-CG2 3.48Å; V309-V327 VanDerWaalsContact CG1-CG2 3.48Å; S310-V327 CarbonylContact O-C 3.55Å; S310-V327 VanDerWaalsContact O-CA 3.32Å; S310-V327 WeakPolarHBondContact O-CA 3.28Å; Y311-V327 HydrophobicContact CD1-CB 3.91Å; Y311-V327 HydrophobicContact CD1-CG2 3.91Å; Y311-V327 HydrophobicContact CE1-CB 3.88Å; Y311-V327 HydrophobicContact CE1-CG2 3.65Å; Y311-V327 HydrophobicContact CE2-CG2 4.48Å; Y311-V327 HydrophobicContact CG-CG2 4.44Å; V327-L329 HydrophobicContact CG2-CD2 4.07Å; V327-V336 CarbonylContact O-C 3.52Å; V327-V336 VanDerWaalsContact O-CA 3.27Å; V327-V336 WeakPolarHBondContact O-CA 3.46Å; V327-C337 HydrophobicContact CG1-CB 3.65Å; V327-C337 PolarHBondContact N-O 2.73Å; V327-C337 PolarHBondContact O-N 3.03Å; V327-A351 HydrophobicContact CB-CB 4.19Å; V327-A351 HydrophobicContact CG1-CB 3.91Å; V327-A351 WeakPolarHBondContact CG1-O 3.35Å; V327-A355 HydrophobicContact CG1-CB 3.79Å |
| 328 | E | 96.2 | Very high | 93.2 | Very high | 101 Ų | 101 | 52.7 Ų | 52.7 | 47% | 0.472 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.8 | 174.3 | -177.5 | -175.4 | -171.2 | 0 | 0 | 109.6 | V309 S310 T335 V336 | V309-E328 WeakPolarHBondContact CA-O 3.39Å; S310-E328 PolarHBondContact N-O 3.3Å; S310-E328 PolarHBondContact O-N 2.96Å; E328-T335 CarbonylContact C-O 3.59Å; E328-T335 WeakPolarHBondContact CA-O 3.36Å; E328-V336 HydrophobicContact CB-CG2 4.28Å; E328-V336 HydrophobicContact CG-CG2 4.14Å |
| 329 | L | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.4 | 172.1 | -42.2 | 179.3 | 0 | 0 | 0 | 108.8 | L298 F307 H308 V309 V327 T331 T335 A355 L359 | L298-L329 HydrophobicContact CD1-CD2 4.21Å; L298-L329 HydrophobicContact CD2-CD2 4.15Å; F307-L329 HydrophobicContact CD2-CB 4.26Å; F307-L329 HydrophobicContact CE2-CB 4.47Å; F307-L329 HydrophobicContact CE2-CD1 4.49Å; F307-L329 HydrophobicContact CE2-CD2 4.08Å; H308-L329 WeakPolarHBondContact O-CA 3.32Å; V309-L329 HydrophobicContact CB-CD2 4.42Å; V309-L329 HydrophobicContact CG1-CD2 4.08Å; V309-L329 HydrophobicContact CG2-CD2 3.93Å; V327-L329 HydrophobicContact CG2-CD2 4.07Å; L329-T331 HydrophobicContact CB-CG2 4.05Å; L329-T331 PolarHBondContact O-N 3.37Å; L329-T335 HydrophobicContact CD1-CG2 4.14Å; L329-T335 PolarHBondContact N-O 2.93Å; L329-T335 PolarHBondContact O-N 3Å; L329-T335 VanDerWaalsContact O-N 3.14Å; L329-A355 HydrophobicContact CD1-CB 4.16Å; L329-A355 HydrophobicContact CD2-CB 4.41Å; L329-L359 HydrophobicContact CD1-CD1 3.92Å; L329-L359 HydrophobicContact CD1-CD2 3.69Å; L329-L359 HydrophobicContact CD1-CG 3.92Å |
| 330 | S | 91.9 | Very high | 93.6 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 29% | 0.287 | 27% | 0.27 | S | S | . | . | trans | -75.8 | 37.2 | 176.8 | 80.2 | 0 | 0 | 0 | 0 | 113.3 | H308 | H308-S330 PolarHBondContact N-OG 3.43Å; H308-S330 PolarHBondContact O-N 3.4Å | ||
| 331 | T | 90.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 169.5 | 172.2 | 56.4 | 0 | 0 | 0 | 0 | 110.6 | C263 W265 F307 L329 P333 A334 T335 L359 | C263-T331 CarbonylContact O-C 3.57Å; C263-T331 WeakPolarHBondContact O-CA 3.3Å; W265-T331 HydrophobicContact CH2-CG2 4.28Å; F307-T331 HydrophobicContact CG-CG2 4.48Å; L329-T331 HydrophobicContact CB-CG2 4.05Å; L329-T331 PolarHBondContact O-N 3.37Å; T331-P333 VanDerWaalsContact C-C 3.44Å; T331-P333 CarbonylContact C-O 3.54Å; T331-P333 CarbonylContact O-C 3.52Å; T331-P333 VanDerWaalsContact O-O 3.08Å; T331-P333 PolarHBondContact OG1-O 3.01Å; T331-A334 WeakPolarHBondContact O-CA 3.25Å; T331-A334 PolarHBondContact O-N 3.38Å; T331-T335 PolarHBondContact OG1-N 3.16Å; T331-T335 PolarHBondContact OG1-OG1 3.24Å; T331-L359 HydrophobicContact CG2-CD2 4.37Å |
| 332 | Q | 84.2 | Confident | 93.8 | Very high | 113 Ų | 113 | 44.4 Ų | 44.4 | 53% | 0.528 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 113.4 | 172.6 | -71.2 | -177.9 | 7.7 | 0 | 0 | 111.7 | C263 T264 | C263-Q332 PolarHBondContact O-N 2.85Å; T264-Q332 HydrophobicContact CG2-CB 4.34Å |
| 333 | P | 87.5 | Confident | 93.7 | Very high | 92 Ų | 92 | 45.1 Ų | 45.1 | 60% | 0.597 | 27% | 0.266 | S | S | * | . | S | Bend | cis | -61 | 159.8 | -9.3 | 25.8 | -37.9 | 0 | 0 | 0 | 114 | T331 | T331-P333 VanDerWaalsContact C-C 3.44Å; T331-P333 CarbonylContact C-O 3.54Å; T331-P333 CarbonylContact O-C 3.52Å; T331-P333 VanDerWaalsContact O-O 3.08Å; T331-P333 PolarHBondContact OG1-O 3.01Å |
| 334 | A | 88.7 | Confident | 93.5 | Very high | 66 Ų | 66 | 51.8 Ų | 51.8 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | trans | -59.7 | 139.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | T331 | T331-A334 WeakPolarHBondContact O-CA 3.25Å; T331-A334 PolarHBondContact O-N 3.38Å | ||
| 335 | T | 93.1 | Very high | 93.3 | Very high | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.043 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.8 | -178.3 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | W265 E328 L329 T331 Y358 | W265-T335 WeakPolarHBondContact CH2-OG1 3.35Å; W265-T335 VanDerWaalsContact CZ2-OG1 3.26Å; W265-T335 WeakPolarHBondContact CZ2-OG1 3.33Å; E328-T335 CarbonylContact C-O 3.59Å; E328-T335 WeakPolarHBondContact CA-O 3.36Å; L329-T335 HydrophobicContact CD1-CG2 4.14Å; L329-T335 PolarHBondContact N-O 2.93Å; L329-T335 PolarHBondContact O-N 3Å; L329-T335 VanDerWaalsContact O-N 3.14Å; T331-T335 PolarHBondContact OG1-N 3.16Å; T331-T335 PolarHBondContact OG1-OG1 3.24Å; T335-Y358 HydrophobicContact CG2-CD1 3.38Å; T335-Y358 HydrophobicContact CG2-CE1 3.42Å; T335-Y358 VanDerWaalsContact CG2-CE1 3.42Å; T335-Y358 HydrophobicContact CG2-CG 4.27Å; T335-Y358 WeakPolarHBondContact OG1-CE1 3.48Å |
| 336 | V | 96.3 | Very high | 93.1 | Very high | 87 Ų | 87 | 57.2 Ų | 57.2 | 53% | 0.527 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.7 | 172.2 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | L326 V327 E328 | L326-V336 HydrophobicContact CB-CG1 4.35Å; L326-V336 HydrophobicContact CD2-CG1 4.19Å; V327-V336 CarbonylContact O-C 3.52Å; V327-V336 VanDerWaalsContact O-CA 3.27Å; V327-V336 WeakPolarHBondContact O-CA 3.46Å; E328-V336 HydrophobicContact CB-CG2 4.28Å; E328-V336 HydrophobicContact CG-CG2 4.14Å |
| 337 | C | 96.3 | Very high | 92.9 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 11% | 0.108 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.5 | 176 | -69.9 | 0 | 0 | 0 | 0 | 110.4 | L326 V327 R354 A355 | L326-C337 CarbonylContact C-O 3.56Å; L326-C337 WeakPolarHBondContact CA-O 3.47Å; V327-C337 HydrophobicContact CG1-CB 3.65Å; V327-C337 PolarHBondContact N-O 2.73Å; V327-C337 PolarHBondContact O-N 3.03Å; C337-R354 HydrophobicContact CB-CB 4.12Å; C337-A355 HydrophobicContact CB-CB 4.2Å; C337-A355 VanDerWaalsContact SG-CA 3.6Å |
| 338 | H | 96.1 | Very high | 92.8 | Very high | 64 Ų | 64 | 59.4 Ų | 59.4 | 30% | 0.296 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 135.9 | 178.5 | 171.9 | -101.1 | 0 | 0 | 0 | 111.1 | C325 L326 R354 | C325-H338 CarbonylContact O-C 3.08Å; C325-H338 WeakPolarHBondContact O-CA 3.25Å; L326-H338 HydrophobicContact CD2-CB 3.69Å; H338-R354 WeakPolarHBondContact O-CD 3.49Å; H338-R354 PolarHBondContact O-NE 3.49Å; H338-R354 PolarHBondContact O-NH1 2.96Å |
| 339 | G | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q324 C325 | Q324-G339 WeakPolarHBondContact CA-O 3.36Å; C325-G339 PolarHBondContact N-O 3.41Å; C325-G339 PolarHBondContact O-N 2.82Å |
| 340 | S | 94.7 | Very high | 92.6 | Very high | 38 Ų | 38 | 56.9 Ų | 56.9 | 27% | 0.266 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 131.7 | 179.3 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | C323 | C323-S340 CarbonylContact O-C 3.6Å; C323-S340 WeakPolarHBondContact O-CA 3.11Å |
| 341 | A | 94.3 | Very high | 92.8 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 175.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L322 C323 T343 A346 A347 | L322-A341 CarbonylContact C-O 3.58Å; L322-A341 WeakPolarHBondContact CA-O 3.31Å; L322-A341 WeakPolarHBondContact CB-O 3.31Å; C323-A341 WeakPolarHBondContact CA-O 3.44Å; C323-A341 WeakPolarHBondContact CB-O 3.48Å; C323-A341 PolarHBondContact N-O 2.99Å; C323-A341 PolarHBondContact O-N 3.27Å; A341-T343 VanDerWaalsContact C-N 3.27Å; A341-T343 PolarHBondContact O-N 3.18Å; A341-A346 VanDerWaalsContact CB-C 3.46Å; A341-A346 HydrophobicContact CB-CB 3.45Å; A341-A346 VanDerWaalsContact CB-CB 3.45Å; A341-A347 HydrophobicContact CB-CB 4.17Å |
| 342 | T | 93.7 | Very high | 93 | Very high | 115 Ų | 115 | 54.7 Ų | 54.7 | 71% | 0.706 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -70.2 | -20 | 180 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | L322 | L322-T342 HydrophobicContact CD2-CG2 3.84Š|
| 343 | T | 93.3 | Very high | 93.4 | Very high | 64 Ų | 64 | 51.6 Ų | 51.6 | 39% | 0.393 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -128.8 | 159.2 | 175.6 | 69.6 | 0 | 0 | 0 | 0 | 110.9 | A341 A346 A347 | A341-T343 VanDerWaalsContact C-N 3.27Å; A341-T343 PolarHBondContact O-N 3.18Å; T343-A346 PolarHBondContact O-N 2.86Å; T343-A346 WeakPolarHBondContact OG1-CB 3.5Å; T343-A346 PolarHBondContact OG1-N 2.8Å; T343-A347 WeakPolarHBondContact O-CB 3.45Å; T343-A347 PolarHBondContact O-N 3.15Å |
| 344 | R | 91.2 | Very high | 93.8 | Very high | 161 Ų | 161 | 51.4 Ų | 51.4 | 61% | 0.608 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | -179.9 | -61.3 | -170.9 | -157.2 | 111.2 | -0.7 | 111.8 | C323 A346 A347 R348 | C323-R344 HydrophobicContact CB-CG 4.36Å; R344-A346 VanDerWaalsContact C-N 3.33Å; R344-A346 PolarHBondContact O-N 2.83Å; R344-A347 PolarHBondContact O-N 3.37Å; R344-R348 PolarHBondContact O-N 3.46Å |
| 345 | E | 91.8 | Very high | 94.1 | Very high | 122 Ų | 122 | 48.3 Ų | 48.3 | 57% | 0.57 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65.3 | -39.6 | 179.3 | -61.8 | 71.3 | -155 | 0 | 0 | 111 | G349 | E345-G349 PolarHBondContact O-N 3.04Å |
| 346 | A | 91.7 | Very high | 94.1 | Very high | 38 Ų | 38 | 48 Ų | 48 | 31% | 0.314 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.4 | -35.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A341 T343 R344 G349 E350 | A341-A346 VanDerWaalsContact CB-C 3.46Å; A341-A346 HydrophobicContact CB-CB 3.45Å; A341-A346 VanDerWaalsContact CB-CB 3.45Å; T343-A346 PolarHBondContact O-N 2.86Å; T343-A346 WeakPolarHBondContact OG1-CB 3.5Å; T343-A346 PolarHBondContact OG1-N 2.8Å; R344-A346 VanDerWaalsContact C-N 3.33Å; R344-A346 PolarHBondContact O-N 2.83Å; A346-G349 PolarHBondContact O-N 3.23Å; A346-E350 WeakPolarHBondContact O-CB 3.41Å; A346-E350 PolarHBondContact O-N 2.74Å |
| 347 | A | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66 | -41.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | C323 C325 A341 T343 R344 E350 A351 | C323-A347 HydrophobicContact CB-CB 4.19Å; C323-A347 WeakPolarHBondContact O-CB 3.44Å; C325-A347 HydrophobicContact CB-CB 4.09Å; A341-A347 HydrophobicContact CB-CB 4.17Å; T343-A347 WeakPolarHBondContact O-CB 3.45Å; T343-A347 PolarHBondContact O-N 3.15Å; R344-A347 PolarHBondContact O-N 3.37Å; A347-E350 PolarHBondContact O-N 3.24Å; A347-A351 WeakPolarHBondContact O-CB 3.39Å; A347-A351 PolarHBondContact O-N 2.98Å |
| 348 | R | 94.3 | Very high | 93.7 | Very high | 99 Ų | 99 | 49.8 Ų | 49.8 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 170 | -78.9 | -178.4 | 179 | -164.7 | 1.5 | 112.1 | Y311 D313 C325 R344 E350 A351 A352 | Y311-R348 HydrophobicContact CD1-CB 4.4Å; Y311-R348 HydrophobicContact CD1-CG 4.13Å; D313-R348 VanDerWaalsContact CG-NE 3.34Å; D313-R348 WeakPolarHBondContact OD1-CG 3.4Å; D313-R348 IonicContact OD1-CZ 2.63Å; D313-R348 IonicContact OD1-NE 2.81Å; D313-R348 PolarHBondContact OD1-NE 3.4Å; D313-R348 IonicContact OD1-NH2 2.72Å; D313-R348 IonicContact OD2-CZ 3.63Å; D313-R348 IonicContact OD2-NE 3.37Å; D313-R348 PolarHBondContact OD2-NE 3.11Å; D313-R348 IonicContact OD2-NH2 3.94Å; D313-R348 PolarHBondContact OD2-NH2 3.37Å; C325-R348 HydrophobicContact CB-CG 4.21Å; C325-R348 WeakPolarHBondContact SG-CG 3.41Å; R344-R348 PolarHBondContact O-N 3.46Å; R348-E350 VanDerWaalsContact C-N 3.32Å; R348-E350 PolarHBondContact O-N 2.9Å; R348-A351 PolarHBondContact O-N 3.47Å; R348-A352 WeakPolarHBondContact O-CB 3.27Å; R348-A352 PolarHBondContact O-N 2.98Å |
| 349 | G | 93.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E345 A346 A352 R353 | E345-G349 PolarHBondContact O-N 3.04Å; A346-G349 PolarHBondContact O-N 3.23Å; G349-A352 PolarHBondContact O-N 3.2Å; G349-R353 WeakPolarHBondContact O-CB 3.08Å; G349-R353 PolarHBondContact O-N 2.91Å |
| 350 | E | 93.7 | Very high | 93.4 | Very high | 44 Ų | 44 | 48.9 Ų | 48.9 | 21% | 0.206 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.5 | -39.5 | 176.9 | 177.6 | 59 | -164.5 | 0 | 0 | 112.4 | A346 A347 R348 R353 R354 | A346-E350 WeakPolarHBondContact O-CB 3.41Å; A346-E350 PolarHBondContact O-N 2.74Å; A347-E350 PolarHBondContact O-N 3.24Å; R348-E350 VanDerWaalsContact C-N 3.32Å; R348-E350 PolarHBondContact O-N 2.9Å; E350-R353 PolarHBondContact O-N 3.2Å; E350-R353 IonicContact OE1-CZ 3.55Å; E350-R353 IonicContact OE1-NE 3.26Å; E350-R353 IonicContact OE1-NH2 2.67Å; E350-R353 PolarHBondContact OE1-NH2 3.37Å; E350-R353 IonicContact OE2-CZ 3.5Å; E350-R353 IonicContact OE2-NE 3.49Å; E350-R353 PolarHBondContact OE2-NE 3.45Å; E350-R353 IonicContact OE2-NH2 3.37Å; E350-R353 PolarHBondContact OE2-NH2 3.2Å; E350-R354 WeakPolarHBondContact O-CG 3.4Å; E350-R354 PolarHBondContact O-N 3.25Å; E350-R354 IonicContact OE1-CZ 3.85Å; E350-R354 IonicContact OE1-NE 2.93Å; E350-R354 PolarHBondContact OE1-NE 3.08Å; E350-R354 IonicContact OE1-NH2 2.71Å; E350-R354 PolarHBondContact OE1-NH2 3.47Å |
| 351 | A | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | C325 V327 A347 R348 R353 R354 A355 | C325-A351 HydrophobicContact CB-CB 4.42Å; V327-A351 HydrophobicContact CB-CB 4.19Å; V327-A351 HydrophobicContact CG1-CB 3.91Å; V327-A351 WeakPolarHBondContact CG1-O 3.35Å; A347-A351 WeakPolarHBondContact O-CB 3.39Å; A347-A351 PolarHBondContact O-N 2.98Å; R348-A351 PolarHBondContact O-N 3.47Å; A351-R353 VanDerWaalsContact C-N 3.34Å; A351-R353 PolarHBondContact O-N 2.88Å; A351-R354 PolarHBondContact O-N 3.25Å; A351-A355 PolarHBondContact O-N 3.25Å |
| 352 | A | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -39.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C294 L298 Y311 R348 G349 A355 L356 | C294-A352 HydrophobicContact CB-CB 4.02Å; L298-A352 HydrophobicContact CD2-CB 3.88Å; Y311-A352 HydrophobicContact CE1-CB 4.26Å; R348-A352 WeakPolarHBondContact O-CB 3.27Å; R348-A352 PolarHBondContact O-N 2.98Å; G349-A352 PolarHBondContact O-N 3.2Å; A352-A355 WeakPolarHBondContact O-CB 3.44Å; A352-A355 PolarHBondContact O-N 3.23Å; A352-L356 WeakPolarHBondContact O-CG 3.28Å; A352-L356 PolarHBondContact O-N 3.05Å |
| 353 | R | 93.1 | Very high | 92.5 | Very high | 48 Ų | 48 | 47 Ų | 47 | 18% | 0.181 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -45.6 | 176.1 | -170.2 | -164.3 | 63.9 | 67.6 | -1 | 111.4 | L287 C294 G349 E350 A351 A355 L356 Q357 | L287-R353 HydrophobicContact CB-CG 4.16Å; L287-R353 HydrophobicContact CD2-CG 4.02Å; L287-R353 HydrophobicContact CG-CG 4.4Å; C294-R353 HydrophobicContact CB-CB 4.3Å; G349-R353 WeakPolarHBondContact O-CB 3.08Å; G349-R353 PolarHBondContact O-N 2.91Å; E350-R353 PolarHBondContact O-N 3.2Å; E350-R353 IonicContact OE1-CZ 3.55Å; E350-R353 IonicContact OE1-NE 3.26Å; E350-R353 IonicContact OE1-NH2 2.67Å; E350-R353 PolarHBondContact OE1-NH2 3.37Å; E350-R353 IonicContact OE2-CZ 3.5Å; E350-R353 IonicContact OE2-NE 3.49Å; E350-R353 PolarHBondContact OE2-NE 3.45Å; E350-R353 IonicContact OE2-NH2 3.37Å; E350-R353 PolarHBondContact OE2-NH2 3.2Å; A351-R353 VanDerWaalsContact C-N 3.34Å; A351-R353 PolarHBondContact O-N 2.88Å; R353-A355 VanDerWaalsContact C-N 3.35Å; R353-L356 PolarHBondContact O-N 3.49Å; R353-Q357 WeakPolarHBondContact O-CB 3.35Å; R353-Q357 PolarHBondContact O-N 3.33Å |
| 354 | R | 94.3 | Very high | 91.5 | Very high | 89 Ų | 89 | 46.4 Ų | 46.4 | 34% | 0.336 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.3 | -39.3 | 176.9 | -72.7 | 168.7 | 179.7 | -154.7 | -2.2 | 111.7 | C337 H338 E350 A351 Q357 Y358 | C337-R354 HydrophobicContact CB-CB 4.12Å; H338-R354 WeakPolarHBondContact O-CD 3.49Å; H338-R354 PolarHBondContact O-NE 3.49Å; H338-R354 PolarHBondContact O-NH1 2.96Å; E350-R354 WeakPolarHBondContact O-CG 3.4Å; E350-R354 PolarHBondContact O-N 3.25Å; E350-R354 IonicContact OE1-CZ 3.85Å; E350-R354 IonicContact OE1-NE 2.93Å; E350-R354 PolarHBondContact OE1-NE 3.08Å; E350-R354 IonicContact OE1-NH2 2.71Å; E350-R354 PolarHBondContact OE1-NH2 3.47Å; A351-R354 PolarHBondContact O-N 3.25Å; R354-Q357 PolarHBondContact O-N 2.78Å; R354-Y358 WeakPolarHBondContact O-CB 3.47Å; R354-Y358 PolarHBondContact O-N 3.44Å |
| 355 | A | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.4 | -51.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | L298 V327 L329 C337 A351 A352 R353 Q357 Y358 L359 | L298-A355 HydrophobicContact CD1-CB 4.38Å; L298-A355 HydrophobicContact CD2-CB 3.85Å; V327-A355 HydrophobicContact CG1-CB 3.79Å; L329-A355 HydrophobicContact CD1-CB 4.16Å; L329-A355 HydrophobicContact CD2-CB 4.41Å; C337-A355 HydrophobicContact CB-CB 4.2Å; C337-A355 VanDerWaalsContact SG-CA 3.6Å; A351-A355 PolarHBondContact O-N 3.25Å; A352-A355 WeakPolarHBondContact O-CB 3.44Å; A352-A355 PolarHBondContact O-N 3.23Å; R353-A355 VanDerWaalsContact C-N 3.35Å; A355-Q357 VanDerWaalsContact C-N 3.32Å; A355-Q357 PolarHBondContact O-N 3.14Å; A355-Y358 WeakPolarHBondContact O-CB 3.18Å; A355-Y358 PolarHBondContact O-N 3.33Å; A355-Y358 VanDerWaalsContact O-N 3.12Å; A355-L359 VanDerWaalsContact O-CG 3.31Å; A355-L359 WeakPolarHBondContact O-CG 3.47Å; A355-L359 PolarHBondContact O-N 3.19Å |
| 356 | L | 93.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60 | -40.2 | 177 | -73.3 | 171 | 0 | 0 | 0 | 112.6 | L279 L287 C294 V297 L298 L301 A352 R353 Y358 L359 K360 | L279-L356 HydrophobicContact CD1-CB 4.21Å; L279-L356 HydrophobicContact CD1-CD2 4.16Å; L279-L356 HydrophobicContact CD2-CD2 4.25Å; L287-L356 HydrophobicContact CD2-CB 3.65Å; L287-L356 HydrophobicContact CD2-CD1 4.26Å; C294-L356 HydrophobicContact CB-CD1 4.12Å; V297-L356 HydrophobicContact CB-CD1 4.06Å; V297-L356 HydrophobicContact CG1-CD1 3.95Å; V297-L356 HydrophobicContact CG1-CD2 4.04Å; L298-L356 HydrophobicContact CB-CD1 4.41Å; L298-L356 HydrophobicContact CB-CD2 4.09Å; L298-L356 HydrophobicContact CB-CG 4.13Å; L298-L356 HydrophobicContact CD1-CD2 3.84Å; L298-L356 HydrophobicContact CD1-CG 4.15Å; L301-L356 HydrophobicContact CD2-CD2 3.97Å; A352-L356 WeakPolarHBondContact O-CG 3.28Å; A352-L356 PolarHBondContact O-N 3.05Å; R353-L356 PolarHBondContact O-N 3.49Å; L356-Y358 VanDerWaalsContact C-N 3.34Å; L356-L359 PolarHBondContact O-N 3.33Å; L356-K360 WeakPolarHBondContact O-CB 3.48Å; L356-K360 PolarHBondContact O-N 3.49Å |
| 357 | Q | 92.1 | Very high | 87.5 | Confident | 54 Ų | 54 | 49.5 Ų | 49.5 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 174.8 | 178.9 | 173.2 | 1.9 | 0 | 0 | 111.4 | L284 R353 R354 A355 K360 I361 | L284-Q357 HydrophobicContact CD1-CG 4.19Å; R353-Q357 WeakPolarHBondContact O-CB 3.35Å; R353-Q357 PolarHBondContact O-N 3.33Å; R354-Q357 PolarHBondContact O-N 2.78Å; A355-Q357 VanDerWaalsContact C-N 3.32Å; A355-Q357 PolarHBondContact O-N 3.14Å; Q357-K360 WeakPolarHBondContact O-CB 3.44Å; Q357-K360 PolarHBondContact O-N 3.04Å; Q357-I361 HydrophobicContact CG-CD1 4.3Å; Q357-I361 WeakPolarHBondContact O-CG1 3.24Å; Q357-I361 PolarHBondContact O-N 2.91Å; Q357-I361 VanDerWaalsContact O-N 3.11Å |
| 358 | Y | 92.9 | Very high | 87.2 | Confident | 86 Ų | 86 | 52.1 Ų | 52.1 | 34% | 0.337 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 176.5 | -176.6 | -102.4 | 0 | 0 | 0 | 111.8 | W265 T335 R354 A355 L356 K360 I361 M362 | W265-Y358 AromaticContact CH2-CD1 3.8Å; W265-Y358 HydrophobicContact CH2-CD1 3.8Å; W265-Y358 AromaticContact CH2-CE1 3.28Å; W265-Y358 HydrophobicContact CH2-CE1 3.28Å; W265-Y358 HydrophobicContact CZ2-CD1 4.4Å; W265-Y358 AromaticContact CZ2-CE1 3.45Å; W265-Y358 HydrophobicContact CZ2-CE1 3.45Å; W265-Y358 VanDerWaalsContact CZ2-CE1 3.45Å; W265-Y358 HydrophobicContact CZ3-CE1 4.27Å; T335-Y358 HydrophobicContact CG2-CD1 3.38Å; T335-Y358 HydrophobicContact CG2-CE1 3.42Å; T335-Y358 VanDerWaalsContact CG2-CE1 3.42Å; T335-Y358 HydrophobicContact CG2-CG 4.27Å; T335-Y358 WeakPolarHBondContact OG1-CE1 3.48Å; R354-Y358 WeakPolarHBondContact O-CB 3.47Å; R354-Y358 PolarHBondContact O-N 3.44Å; A355-Y358 WeakPolarHBondContact O-CB 3.18Å; A355-Y358 PolarHBondContact O-N 3.33Å; A355-Y358 VanDerWaalsContact O-N 3.12Å; L356-Y358 VanDerWaalsContact C-N 3.34Å; Y358-K360 VanDerWaalsContact C-N 3.27Å; Y358-K360 PolarHBondContact O-N 3.48Å; Y358-I361 PolarHBondContact O-N 2.88Å; Y358-I361 VanDerWaalsContact O-N 3.13Å; Y358-M362 HydrophobicContact CD1-CG 4.19Å; Y358-M362 HydrophobicContact CE1-CG 3.88Å; Y358-M362 HydrophobicContact CE2-CG 4.2Å; Y358-M362 HydrophobicContact CE2-SD 4.4Å; Y358-M362 WeakPolarHBondContact O-CG 3.45Å; Y358-M362 PolarHBondContact O-N 3.11Å |
| 359 | L | 92.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.3 | -40.1 | 175.7 | -65.2 | -179.5 | 0 | 0 | 0 | 111.8 | W265 L268 L279 L298 L301 F307 L329 T331 A355 L356 M362 A363 | W265-L359 HydrophobicContact CH2-CD2 3.89Å; W265-L359 HydrophobicContact CZ3-CD2 3.69Å; L268-L359 HydrophobicContact CD2-CB 4.15Å; L268-L359 HydrophobicContact CD2-CD2 3.65Å; L268-L359 HydrophobicContact CD2-CG 4.38Å; L279-L359 HydrophobicContact CD2-CB 4.14Å; L298-L359 HydrophobicContact CD1-CD1 3.78Å; L301-L359 HydrophobicContact CD2-CD1 3.51Å; F307-L359 HydrophobicContact CE1-CD1 4.44Å; F307-L359 HydrophobicContact CE2-CD1 4.44Å; F307-L359 HydrophobicContact CZ-CD1 3.76Å; L329-L359 HydrophobicContact CD1-CD1 3.92Å; L329-L359 HydrophobicContact CD1-CD2 3.69Å; L329-L359 HydrophobicContact CD1-CG 3.92Å; T331-L359 HydrophobicContact CG2-CD2 4.37Å; A355-L359 VanDerWaalsContact O-CG 3.31Å; A355-L359 WeakPolarHBondContact O-CG 3.47Å; A355-L359 PolarHBondContact O-N 3.19Å; L356-L359 PolarHBondContact O-N 3.33Å; L359-M362 PolarHBondContact O-N 3.29Å; L359-A363 WeakPolarHBondContact O-CB 3.24Å; L359-A363 PolarHBondContact O-N 3.48Å |
| 360 | K | 90.9 | Very high | 86.4 | Confident | 45 Ų | 45 | 52.2 Ų | 52.2 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 175.2 | -174.1 | -174.1 | 175.1 | -171 | 0 | 112 | L279 R280 C282 L284 L356 Q357 Y358 A363 G364 | L279-K360 HydrophobicContact CD2-CB 4.31Å; L279-K360 HydrophobicContact CG-CB 4.09Å; L279-K360 HydrophobicContact CG-CG 4.49Å; L279-K360 WeakPolarHBondContact O-CD 3.32Å; R280-K360 VanDerWaalsContact O-CE 3.3Å; R280-K360 WeakPolarHBondContact O-CE 3.36Å; C282-K360 WeakPolarHBondContact O-CE 2.9Å; C282-K360 PolarHBondContact O-NZ 2.84Å; L284-K360 HydrophobicContact CD1-CD 3.9Å; L356-K360 WeakPolarHBondContact O-CB 3.48Å; L356-K360 PolarHBondContact O-N 3.49Å; Q357-K360 WeakPolarHBondContact O-CB 3.44Å; Q357-K360 PolarHBondContact O-N 3.04Å; Y358-K360 VanDerWaalsContact C-N 3.27Å; Y358-K360 PolarHBondContact O-N 3.48Å; K360-A363 PolarHBondContact O-N 3.16Å; K360-G364 PolarHBondContact O-N 3.36Å |
| 361 | I | 89.9 | Confident | 85.9 | Confident | 89 Ų | 89 | 52.8 Ų | 52.8 | 46% | 0.456 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 178.8 | -67.8 | 162.9 | 0 | 0 | 0 | 109.9 | Q357 Y358 A363 G364 S365 | Q357-I361 HydrophobicContact CG-CD1 4.3Å; Q357-I361 WeakPolarHBondContact O-CG1 3.24Å; Q357-I361 PolarHBondContact O-N 2.91Å; Q357-I361 VanDerWaalsContact O-N 3.11Å; Y358-I361 PolarHBondContact O-N 2.88Å; Y358-I361 VanDerWaalsContact O-N 3.13Å; I361-A363 VanDerWaalsContact C-N 3.34Å; I361-A363 PolarHBondContact O-N 3.44Å; I361-G364 PolarHBondContact O-N 3.05Å; I361-S365 PolarHBondContact O-N 3.38Å; I361-S365 PolarHBondContact O-OG 3.11Å |
| 362 | M | 88.6 | Confident | 85.3 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 20% | 0.197 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.7 | -33.3 | -177.2 | -64.3 | -57.4 | -73.2 | 0 | 0 | 112.9 | W265 R269 Y358 L359 | W265-M362 HydrophobicContact CB-CE 4.47Å; W265-M362 HydrophobicContact CD2-CB 3.98Å; W265-M362 HydrophobicContact CD2-CE 3.56Å; W265-M362 HydrophobicContact CD2-CG 4.17Å; W265-M362 HydrophobicContact CE3-CB 3.28Å; W265-M362 HydrophobicContact CE3-CE 4.12Å; W265-M362 HydrophobicContact CE3-CG 3.8Å; W265-M362 HydrophobicContact CG-CE 3.68Å; W265-M362 HydrophobicContact CH2-CB 4.21Å; W265-M362 HydrophobicContact CH2-CG 3.96Å; W265-M362 HydrophobicContact CZ2-CE 4.34Å; W265-M362 HydrophobicContact CZ2-CG 4.29Å; W265-M362 HydrophobicContact CZ3-CB 3.4Å; W265-M362 VanDerWaalsContact CZ3-CB 3.4Å; W265-M362 HydrophobicContact CZ3-CG 3.67Å; R269-M362 WeakPolarHBondContact CD-O 3.35Å; R269-M362 WeakPolarHBondContact CG-O 3.37Å; Y358-M362 HydrophobicContact CD1-CG 4.19Å; Y358-M362 HydrophobicContact CE1-CG 3.88Å; Y358-M362 HydrophobicContact CE2-CG 4.2Å; Y358-M362 HydrophobicContact CE2-SD 4.4Å; Y358-M362 WeakPolarHBondContact O-CG 3.45Å; Y358-M362 PolarHBondContact O-N 3.11Å; L359-M362 PolarHBondContact O-N 3.29Å |
| 363 | A | 85.1 | Confident | 84.6 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.033 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -81.8 | -21.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L268 I276 R280 L359 K360 I361 | L268-A363 HydrophobicContact CB-CB 4.41Å; I276-A363 HydrophobicContact CD1-CB 3.87Å; I276-A363 HydrophobicContact CG1-CB 4.32Å; R280-A363 PolarHBondContact NE-O 3.43Å; L359-A363 WeakPolarHBondContact O-CB 3.24Å; L359-A363 PolarHBondContact O-N 3.48Å; K360-A363 PolarHBondContact O-N 3.16Å; I361-A363 VanDerWaalsContact C-N 3.34Å; I361-A363 PolarHBondContact O-N 3.44Å |
| 364 | G | 72.3 | Confident | 83.9 | Confident | 51 Ų | 51 | 61.2 Ų | 61.2 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -100.5 | -9.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K360 I361 K366 | K360-G364 PolarHBondContact O-N 3.36Å; I361-G364 PolarHBondContact O-N 3.05Å; G364-K366 PolarHBondContact O-N 3.35Å; G364-K366 VanDerWaalsContact O-N 3.16Å |
| 365 | S | 58 | Low | 83.1 | Confident | 72 Ų | 72 | 58.9 Ų | 58.9 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | trans | -72.8 | 105.1 | 178.6 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | I361 | I361-S365 PolarHBondContact O-N 3.38Å; I361-S365 PolarHBondContact O-OG 3.11Å | ||
| 366 | K | 46.6 | Very low | 82 | Confident | 265 Ų | 265 | 64.3 Ų | 64.3 | 100% | 1.152 | 33% | 0.333 | S | S | * | . | trans | -110.8 | 0 | 169.1 | -170.7 | 168.9 | -178.5 | 174.1 | 0 | 110.1 | G364 | G364-K366 PolarHBondContact O-N 3.35Å; G364-K366 VanDerWaalsContact O-N 3.16Å |
Retrieved 366 of 366 residues in 128.3 ms
(Link to these results)