| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.1 | Very low | 36.6 | Very low | 234 Ų | 234 | 160.9 Ų | 160.9 | 100% | 1.153 | 83% | 0.831 | S | S | * | * | 0 | 143.7 | 0 | -71.6 | -170.4 | 175.7 | 0 | 0 | 107.5 | |||||
| 2 | N | 32 | Very low | 36.6 | Very low | 148 Ų | 148 | 160.6 Ų | 160.6 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | trans | 79.8 | 94.8 | -177.3 | -52.4 | -7.6 | 0 | 0 | 0 | 111.8 | ||||
| 3 | E | 37.2 | Very low | 36.6 | Very low | 165 Ų | 165 | 163.5 Ų | 163.5 | 77% | 0.771 | 83% | 0.832 | S | S | * | * | 48.4 | 89.5 | 54.5 | -77.3 | -127.1 | 121.9 | 0 | 0 | 112.7 | |||||
| 4 | D | 35.7 | Very low | 36.9 | Very low | 165 Ų | 165 | 165.9 Ų | 165.9 | 88% | 0.882 | 83% | 0.834 | S | S | * | * | trans | -126.7 | 115.4 | 157.1 | -98.5 | -59.6 | 0 | 0 | 0 | 109.1 | ||||
| 5 | Q | 36.6 | Very low | 37 | Very low | 162 Ų | 162 | 166.8 Ų | 166.8 | 76% | 0.757 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 128.9 | -170.1 | -79 | 157.9 | -1.5 | 0 | 0 | 111.8 | ||
| 6 | K | 33.9 | Very low | 37.9 | Very low | 194 Ų | 194 | 162.4 Ų | 162.4 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78 | 125.4 | 169.8 | -168.7 | 176.6 | -174.1 | 175.6 | 0 | 109.5 | I8 | K6-I8 PolarHBondContact O-N 3.22Š|
| 7 | P | 36.4 | Very low | 39.1 | Very low | 111 Ų | 111 | 157.5 Ų | 157.5 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 132 | -177.3 | 24.3 | -31 | 0 | 0 | 0 | 112.1 | L9 | P7-L9 PolarHBondContact O-N 3.2Š|
| 8 | I | 37.9 | Very low | 40.2 | Very low | 160 Ų | 160 | 156.6 Ų | 156.6 | 82% | 0.821 | 81% | 0.806 | S | S | * | * | trans | -76 | 108.1 | 174.5 | -61.8 | 167.4 | 0 | 0 | 0 | 108 | K6 L10 | K6-I8 PolarHBondContact O-N 3.22Å; I8-L10 PolarHBondContact O-N 3.09Å | ||
| 9 | L | 37.5 | Very low | 41.8 | Very low | 166 Ų | 166 | 150.9 Ų | 150.9 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -77.4 | 112 | 172.1 | -70 | 173.7 | 0 | 0 | 0 | 110 | P7 | P7-L9 PolarHBondContact O-N 3.2Š| ||
| 10 | L | 38.1 | Very low | 43.1 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | -67.6 | 146.3 | 171.2 | -71.8 | 166.6 | 0 | 0 | 0 | 111 | I8 I12 | I8-L10 PolarHBondContact O-N 3.09Å; L10-I12 PolarHBondContact O-N 3.36Å | ||
| 11 | P | 37.3 | Very low | 43.7 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -66.2 | 117.1 | 177.9 | -16.7 | 29.9 | 0 | 0 | 0 | 111.5 | K13 | P11-K13 PolarHBondContact O-N 2.92Š| ||
| 12 | I | 36.6 | Very low | 44.8 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | trans | -59.3 | 107.3 | 170.1 | -63.6 | 165.4 | 0 | 0 | 0 | 108.2 | L10 K14 | L10-I12 PolarHBondContact O-N 3.36Å; I12-K14 PolarHBondContact O-N 3.27Å | ||
| 13 | K | 35.9 | Very low | 46.9 | Very low | 199 Ų | 199 | 132.1 Ų | 132.1 | 87% | 0.865 | 71% | 0.708 | S | S | * | * | trans | -69.1 | 107.3 | 167.5 | -69.3 | 178.8 | -179.3 | 174.8 | 0 | 107.1 | P11 E15 | P11-K13 PolarHBondContact O-N 2.92Å; K13-E15 PolarHBondContact O-N 3.29Å | ||
| 14 | K | 41.4 | Very low | 48.6 | Very low | 197 Ų | 197 | 128.3 Ų | 128.3 | 86% | 0.857 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 127.1 | 168.2 | -70.2 | -177.4 | 176.8 | -176.8 | 0 | 108.2 | I12 | I12-K14 PolarHBondContact O-N 3.27Š|
| 15 | E | 38.3 | Very low | 50.6 | Low | 179 Ų | 179 | 123.1 Ų | 123.1 | 84% | 0.836 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -53 | 138.7 | 175.9 | -69.8 | -178.4 | 150 | 0 | 0 | 110.5 | K13 | K13-E15 PolarHBondContact O-N 3.29Š|
| 16 | P | 50.9 | Low | 52.7 | Low | 96 Ų | 96 | 118.3 Ų | 118.3 | 62% | 0.623 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 138.8 | 178.5 | 26.1 | -31.1 | 0 | 0 | 0 | 109.8 | T18 | P16-T18 PolarHBondContact O-N 3.05Š|
| 17 | P | 58.2 | Low | 54.9 | Low | 79 Ų | 79 | 116.8 Ų | 116.8 | 51% | 0.513 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 122.2 | 177.1 | -16.6 | 26.8 | 0 | 0 | 0 | 110.5 | Y19 | P17-Y19 HydrophobicContact CB-CE1 4.43Å; P17-Y19 HydrophobicContact CB-CE2 3.91Å; P17-Y19 HydrophobicContact CG-CE2 4.49Å; P17-Y19 WeakPolarHBondContact O-CD2 3Å; P17-Y19 PolarHBondContact O-N 3.15Å |
| 18 | T | 60.4 | Low | 57.2 | Low | 141 Ų | 141 | 112.2 Ų | 112.2 | 87% | 0.865 | 60% | 0.595 | S | S | * | * | trans | -78.3 | 109.9 | 174.8 | -53.7 | 0 | 0 | 0 | 0 | 108.7 | P16 | P16-T18 PolarHBondContact O-N 3.05Š| ||
| 19 | Y | 69.3 | Low | 59.2 | Low | 49 Ų | 49 | 107.1 Ų | 107.1 | 19% | 0.192 | 57% | 0.568 | C | S | . | * | P | Polyproline II helix | trans | -93 | 149.3 | 172.3 | -59.8 | -75.2 | 0 | 0 | 0 | 109.6 | P17 E25 Q29 V51 | P17-Y19 HydrophobicContact CB-CE1 4.43Å; P17-Y19 HydrophobicContact CB-CE2 3.91Å; P17-Y19 HydrophobicContact CG-CE2 4.49Å; P17-Y19 WeakPolarHBondContact O-CD2 3Å; P17-Y19 PolarHBondContact O-N 3.15Å; Y19-E25 HydrophobicContact CD1-CB 3.62Å; Y19-E25 HydrophobicContact CD1-CG 4.28Å; Y19-E25 HydrophobicContact CE1-CB 4Å; Y19-E25 HydrophobicContact CE1-CG 4.4Å; Y19-E25 HydrophobicContact CG-CB 3.91Å; Y19-Q29 HydrophobicContact CD2-CB 4.35Å; Y19-Q29 HydrophobicContact CE2-CB 4.35Å; Y19-Q29 HydrophobicContact CE2-CG 4.4Å; Y19-V51 HydrophobicContact CE1-CG1 4.32Å; Y19-V51 HydrophobicContact CE2-CG1 4.48Å; Y19-V51 HydrophobicContact CE2-CG2 4.29Å |
| 20 | P | 67.4 | Low | 61.3 | Low | 87 Ų | 87 | 104.2 Ų | 104.2 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 140.8 | 179.7 | 19.3 | -27.5 | 0 | 0 | 0 | 111.9 | G22 S23 | P20-G22 PolarHBondContact O-N 2.78Å; P20-S23 VanDerWaalsContact O-CB 3.26Å; P20-S23 WeakPolarHBondContact O-CB 3.49Å; P20-S23 PolarHBondContact O-N 3.27Å; P20-S23 VanDerWaalsContact O-N 3.16Å; P20-S23 PolarHBondContact O-OG 3.43Å |
| 21 | P | 57.3 | Low | 63.3 | Low | 125 Ų | 125 | 100.2 Ų | 100.2 | 81% | 0.812 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 126.9 | -178.4 | -23.7 | 33 | 0 | 0 | 0 | 112.4 | E26 | P21-E26 VanDerWaalsContact CA-OE2 3.3Å; P21-E26 WeakPolarHBondContact CA-OE2 3.34Å |
| 22 | G | 62.8 | Low | 65.5 | Low | 57 Ų | 57 | 95.6 Ų | 95.6 | 59% | 0.588 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | -1.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P20 E26 | P20-G22 PolarHBondContact O-N 2.78Å; G22-E26 PolarHBondContact N-OE2 2.9Å |
| 23 | S | 76.1 | Confident | 67.7 | Low | 20 Ų | 20 | 93.4 Ų | 93.4 | 14% | 0.14 | 49% | 0.493 | C | S | . | . | trans | -70.9 | 155.4 | -179.3 | 62.1 | 0 | 0 | 0 | 0 | 113.5 | P20 E25 E26 R27 | P20-S23 VanDerWaalsContact O-CB 3.26Å; P20-S23 WeakPolarHBondContact O-CB 3.49Å; P20-S23 PolarHBondContact O-N 3.27Å; P20-S23 VanDerWaalsContact O-N 3.16Å; P20-S23 PolarHBondContact O-OG 3.43Å; S23-E25 PolarHBondContact O-N 3.42Å; S23-E26 PolarHBondContact O-N 3.21Å; S23-E26 WeakPolarHBondContact OG-CB 3.4Å; S23-E26 PolarHBondContact OG-N 3.11Å; S23-R27 PolarHBondContact O-N 2.8Å; S23-R27 VanDerWaalsContact O-N 3.15Å | ||
| 24 | Q | 72.2 | Confident | 69.9 | Low | 85 Ų | 85 | 88 Ų | 88 | 40% | 0.397 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -32.1 | 177.3 | -175 | 69.8 | 1.3 | 0 | 0 | 111.1 | R27 W28 | Q24-R27 PolarHBondContact O-N 2.94Å; Q24-W28 HydrophobicContact CG-CD2 4.15Å; Q24-W28 HydrophobicContact CG-CE3 4.45Å; Q24-W28 HydrophobicContact CG-CH2 3.63Å; Q24-W28 HydrophobicContact CG-CZ2 3.27Å; Q24-W28 HydrophobicContact CG-CZ3 4.21Å; Q24-W28 VanDerWaalsContact O-CD2 3.27Å; Q24-W28 PolarHBondContact O-N 3.43Å |
| 25 | E | 78.3 | Confident | 71.7 | Confident | 57 Ų | 57 | 86.5 Ų | 86.5 | 27% | 0.266 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 174.4 | -67.1 | 76 | -169.2 | 0 | 0 | 112.6 | Y19 S23 W28 Q29 V51 | Y19-E25 HydrophobicContact CD1-CB 3.62Å; Y19-E25 HydrophobicContact CD1-CG 4.28Å; Y19-E25 HydrophobicContact CE1-CB 4Å; Y19-E25 HydrophobicContact CE1-CG 4.4Å; Y19-E25 HydrophobicContact CG-CB 3.91Å; S23-E25 PolarHBondContact O-N 3.42Å; E25-W28 HydrophobicContact CG-CE3 4.4Å; E25-W28 HydrophobicContact CG-CZ3 4.37Å; E25-W28 PolarHBondContact O-N 3.08Å; E25-Q29 WeakPolarHBondContact O-CB 3.45Å; E25-Q29 PolarHBondContact O-N 3.09Å; E25-V51 HydrophobicContact CB-CG1 3.97Å; E25-V51 HydrophobicContact CG-CG1 4.04Å |
| 26 | E | 80.7 | Confident | 73.6 | Confident | 61 Ų | 61 | 80 Ų | 80 | 29% | 0.285 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 174.4 | -174.1 | -173.8 | -157.1 | 0 | 0 | 111.2 | P21 G22 S23 W28 Q29 L30 | P21-E26 VanDerWaalsContact CA-OE2 3.3Å; P21-E26 WeakPolarHBondContact CA-OE2 3.34Å; G22-E26 PolarHBondContact N-OE2 2.9Å; S23-E26 PolarHBondContact O-N 3.21Å; S23-E26 WeakPolarHBondContact OG-CB 3.4Å; S23-E26 PolarHBondContact OG-N 3.11Å; E26-W28 VanDerWaalsContact C-N 3.3Å; E26-W28 PolarHBondContact O-N 3.3Å; E26-Q29 WeakPolarHBondContact O-CB 3.37Å; E26-Q29 PolarHBondContact O-N 3.26Å; E26-Q29 VanDerWaalsContact O-N 3.13Å; E26-L30 HydrophobicContact CG-CD1 4.21Å; E26-L30 HydrophobicContact CG-CG 4.45Å; E26-L30 WeakPolarHBondContact O-CB 3.44Å; E26-L30 WeakPolarHBondContact O-CG 3.36Å; E26-L30 PolarHBondContact O-N 3.4Å |
| 27 | R | 79.4 | Confident | 75.1 | Confident | 161 Ų | 161 | 81.8 Ų | 81.8 | 61% | 0.608 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -60 | -40.9 | 174.7 | -69.6 | 179.2 | 179.5 | -172.7 | -1.2 | 111.9 | S23 Q24 Q31 | S23-R27 PolarHBondContact O-N 2.8Å; S23-R27 VanDerWaalsContact O-N 3.15Å; Q24-R27 PolarHBondContact O-N 2.94Å; R27-Q31 WeakPolarHBondContact O-CB 3.49Å; R27-Q31 PolarHBondContact O-N 3.2Å |
| 28 | W | 85 | Confident | 76.3 | Confident | 16 Ų | 16 | 78 Ų | 78 | 6% | 0.061 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 174.6 | -65.4 | -22.3 | 0 | 0 | 0 | 112.1 | Q24 E25 E26 Q31 I32 V38 P41 V51 L54 M58 | Q24-W28 HydrophobicContact CG-CD2 4.15Å; Q24-W28 HydrophobicContact CG-CE3 4.45Å; Q24-W28 HydrophobicContact CG-CH2 3.63Å; Q24-W28 HydrophobicContact CG-CZ2 3.27Å; Q24-W28 HydrophobicContact CG-CZ3 4.21Å; Q24-W28 VanDerWaalsContact O-CD2 3.27Å; Q24-W28 PolarHBondContact O-N 3.43Å; E25-W28 HydrophobicContact CG-CE3 4.4Å; E25-W28 HydrophobicContact CG-CZ3 4.37Å; E25-W28 PolarHBondContact O-N 3.08Å; E26-W28 VanDerWaalsContact C-N 3.3Å; E26-W28 PolarHBondContact O-N 3.3Å; W28-Q31 PolarHBondContact O-N 3.01Å; W28-I32 WeakPolarHBondContact O-CB 3.36Å; W28-I32 WeakPolarHBondContact O-CD1 3.44Å; W28-I32 WeakPolarHBondContact O-CG1 3.43Å; W28-I32 PolarHBondContact O-N 2.95Å; W28-V38 HydrophobicContact CB-CB 4.48Å; W28-V38 HydrophobicContact CB-CG1 4.48Å; W28-V38 HydrophobicContact CB-CG2 3.98Å; W28-V38 HydrophobicContact CG-CG2 3.85Å; W28-P41 HydrophobicContact CZ2-CG 4.41Å; W28-V51 HydrophobicContact CB-CG2 4.24Å; W28-V51 HydrophobicContact CE3-CG1 4.26Å; W28-L54 HydrophobicContact CD2-CD2 3.59Å; W28-L54 HydrophobicContact CE3-CD2 3.99Å; W28-L54 HydrophobicContact CG-CD2 3.87Å; W28-L54 HydrophobicContact CZ2-CD2 4.2Å; W28-L54 HydrophobicContact CZ3-CD2 4.48Å; W28-M58 HydrophobicContact CH2-CE 3.85Å; W28-M58 HydrophobicContact CH2-SD 3.25Å; W28-M58 WeakPolarHBondContact CH2-SD 3.49Å; W28-M58 HydrophobicContact CZ2-CE 3.96Å; W28-M58 HydrophobicContact CZ2-SD 3.44Å; W28-M58 WeakPolarHBondContact CZ2-SD 3.28Å; W28-M58 HydrophobicContact CZ3-SD 4.17Å |
| 29 | Q | 80.3 | Confident | 77.3 | Confident | 52 Ų | 52 | 74.5 Ų | 74.5 | 24% | 0.243 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 176.1 | -174 | 64.5 | 1.4 | 0 | 0 | 111.3 | Y19 E25 E26 Q31 I32 V33 V51 | Y19-Q29 HydrophobicContact CD2-CB 4.35Å; Y19-Q29 HydrophobicContact CE2-CB 4.35Å; Y19-Q29 HydrophobicContact CE2-CG 4.4Å; E25-Q29 WeakPolarHBondContact O-CB 3.45Å; E25-Q29 PolarHBondContact O-N 3.09Å; E26-Q29 WeakPolarHBondContact O-CB 3.37Å; E26-Q29 PolarHBondContact O-N 3.26Å; E26-Q29 VanDerWaalsContact O-N 3.13Å; Q29-Q31 VanDerWaalsContact C-N 3.3Å; Q29-Q31 PolarHBondContact O-N 3.23Å; Q29-I32 WeakPolarHBondContact O-CB 3.48Å; Q29-I32 PolarHBondContact O-N 3.42Å; Q29-I32 VanDerWaalsContact O-N 3.13Å; Q29-V33 WeakPolarHBondContact O-CG2 3.33Å; Q29-V33 PolarHBondContact O-N 3Å; Q29-V51 HydrophobicContact CB-CG2 3.9Å; Q29-V51 VanDerWaalsContact OE1-CG2 3.24Å |
| 30 | L | 82.2 | Confident | 77.8 | Confident | 106 Ų | 106 | 72.2 Ų | 72.2 | 56% | 0.555 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.2 | -40.1 | 174.3 | -70 | 171.6 | 0 | 0 | 0 | 111.5 | E26 V33 A34 | E26-L30 HydrophobicContact CG-CD1 4.21Å; E26-L30 HydrophobicContact CG-CG 4.45Å; E26-L30 WeakPolarHBondContact O-CB 3.44Å; E26-L30 WeakPolarHBondContact O-CG 3.36Å; E26-L30 PolarHBondContact O-N 3.4Å; L30-V33 PolarHBondContact O-N 2.79Å; L30-A34 VanDerWaalsContact O-CB 3.29Å; L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 3.39Å |
| 31 | Q | 79.3 | Confident | 78.2 | Confident | 64 Ų | 64 | 71.1 Ų | 71.1 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.6 | -35.3 | 175.1 | -170.8 | 173.8 | -2.2 | 0 | 0 | 112.6 | R27 W28 Q29 K35 | R27-Q31 WeakPolarHBondContact O-CB 3.49Å; R27-Q31 PolarHBondContact O-N 3.2Å; W28-Q31 PolarHBondContact O-N 3.01Å; Q29-Q31 VanDerWaalsContact C-N 3.3Å; Q29-Q31 PolarHBondContact O-N 3.23Å; Q31-K35 HydrophobicContact CG-CD 4.49Å; Q31-K35 WeakPolarHBondContact O-CB 3.36Å; Q31-K35 PolarHBondContact O-N 3Å |
| 32 | I | 83.4 | Confident | 78.8 | Confident | 20 Ų | 20 | 70.1 Ų | 70.1 | 10% | 0.103 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 173 | -70.1 | 159.7 | 0 | 0 | 0 | 110.5 | W28 Q29 G36 V38 K49 V51 | W28-I32 WeakPolarHBondContact O-CB 3.36Å; W28-I32 WeakPolarHBondContact O-CD1 3.44Å; W28-I32 WeakPolarHBondContact O-CG1 3.43Å; W28-I32 PolarHBondContact O-N 2.95Å; Q29-I32 WeakPolarHBondContact O-CB 3.48Å; Q29-I32 PolarHBondContact O-N 3.42Å; Q29-I32 VanDerWaalsContact O-N 3.13Å; I32-G36 CarbonylContact O-C 3.53Å; I32-G36 WeakPolarHBondContact O-CA 3.39Å; I32-G36 PolarHBondContact O-N 3.26Å; I32-V38 HydrophobicContact CD1-CB 4.28Å; I32-V38 HydrophobicContact CD1-CG1 3.66Å; I32-V38 HydrophobicContact CG1-CB 3.82Å; I32-V38 HydrophobicContact CG1-CG1 3.68Å; I32-K49 VanDerWaalsContact CG2-O 3.29Å; I32-K49 WeakPolarHBondContact CG2-O 3.36Å; I32-V51 HydrophobicContact CD1-CG2 3.71Å |
| 33 | V | 82.9 | Confident | 79 | Confident | 111 Ų | 111 | 69.1 Ų | 69.1 | 67% | 0.673 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.8 | -42.4 | 177.4 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | Q29 L30 | Q29-V33 WeakPolarHBondContact O-CG2 3.33Å; Q29-V33 PolarHBondContact O-N 3Å; L30-V33 PolarHBondContact O-N 2.79Å |
| 34 | A | 82.7 | Confident | 78.8 | Confident | 84 Ų | 84 | 76.3 Ų | 76.3 | 69% | 0.694 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -76.2 | -38.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L30 | L30-A34 VanDerWaalsContact O-CB 3.29Å; L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 3.39Å |
| 35 | K | 79.4 | Confident | 78.7 | Confident | 166 Ų | 166 | 76.9 Ų | 76.9 | 72% | 0.722 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -117.7 | -0.1 | -172.3 | -63.7 | -176.9 | 176.9 | 177.7 | 0 | 114 | Q31 R37 | Q31-K35 HydrophobicContact CG-CD 4.49Å; Q31-K35 WeakPolarHBondContact O-CB 3.36Å; Q31-K35 PolarHBondContact O-N 3Å; K35-R37 PolarHBondContact O-N 3.34Å; K35-R37 VanDerWaalsContact O-N 3.1Å |
| 36 | G | 78.5 | Confident | 78.5 | Confident | 42 Ų | 42 | 76 Ų | 76 | 43% | 0.433 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 73.2 | -10.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I32 | I32-G36 CarbonylContact O-C 3.53Å; I32-G36 WeakPolarHBondContact O-CA 3.39Å; I32-G36 PolarHBondContact O-N 3.26Å |
| 37 | R | 80.5 | Confident | 78.4 | Confident | 134 Ų | 134 | 75.6 Ų | 75.6 | 51% | 0.506 | 40% | 0.403 | S | S | . | . | trans | -153.7 | 148 | 179.9 | -59 | -177.1 | -146.5 | -140.5 | 4 | 111.4 | K35 R48 K49 | K35-R37 PolarHBondContact O-N 3.34Å; K35-R37 VanDerWaalsContact O-N 3.1Å; R37-R48 CarbonylContact C-O 3.52Å; R37-R48 VanDerWaalsContact CA-O 3.26Å; R37-R48 WeakPolarHBondContact CA-O 3.43Å; R37-K49 HydrophobicContact CG-CG 3.98Å | ||
| 38 | V | 84.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.9 | 168.7 | 60.5 | 0 | 0 | 0 | 0 | 110 | W28 I32 S47 R48 L54 | W28-V38 HydrophobicContact CB-CB 4.48Å; W28-V38 HydrophobicContact CB-CG1 4.48Å; W28-V38 HydrophobicContact CB-CG2 3.98Å; W28-V38 HydrophobicContact CG-CG2 3.85Å; I32-V38 HydrophobicContact CD1-CB 4.28Å; I32-V38 HydrophobicContact CD1-CG1 3.66Å; I32-V38 HydrophobicContact CG1-CB 3.82Å; I32-V38 HydrophobicContact CG1-CG1 3.68Å; V38-S47 CarbonylContact O-C 3.57Å; V38-S47 VanDerWaalsContact O-CA 3.27Å; V38-S47 WeakPolarHBondContact O-CA 2.77Å; V38-R48 PolarHBondContact N-O 2.87Å; V38-R48 PolarHBondContact O-N 3.49Å; V38-L54 HydrophobicContact CB-CD2 4.24Å; V38-L54 HydrophobicContact CG1-CB 4.09Å; V38-L54 HydrophobicContact CG1-CD2 3.57Å; V38-L54 HydrophobicContact CG1-CG 4.35Å; V38-L54 HydrophobicContact CG2-CD2 3.65Å |
| 39 | T | 81.6 | Confident | 78.3 | Confident | 68 Ų | 68 | 79.2 Ų | 79.2 | 42% | 0.417 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 138.4 | 175.1 | 47.9 | 0 | 0 | 0 | 0 | 110.4 | P41 | T39-P41 WeakPolarHBondContact O-CD 3.3Å |
| 40 | C | 80.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 43% | 0.432 | C | S | . | . | trans | -61.6 | 123.5 | 177 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | K42 C43 K44 V46 L54 H57 | C40-K42 PolarHBondContact O-N 3.11Å; C40-K42 PolarHBondContact SG-N 3.38Å; C40-C43 VanDerWaalsContact CB-SG 3.57Å; C40-K44 WeakPolarHBondContact O-CA 3.45Å; C40-K44 PolarHBondContact O-N 2.85Å; C40-V46 PolarHBondContact N-O 2.74Å; C40-L54 HydrophobicContact CB-CD1 3.69Å; C40-H57 WeakPolarHBondContact CB-NE2 3.14Å; C40-H57 PolarHBondContact SG-CD2 2.85Å; C40-H57 PolarHBondContact SG-NE2 3.34Å | ||
| 41 | P | 75.6 | Confident | 78.5 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 42% | 0.422 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -29 | 178.3 | -23.8 | 34.2 | 0 | 0 | 0 | 113.5 | W28 T39 | W28-P41 HydrophobicContact CZ2-CG 4.41Å; T39-P41 WeakPolarHBondContact O-CD 3.3Å |
| 42 | K | 68.8 | Low | 78.6 | Confident | 103 Ų | 103 | 77.3 Ų | 77.3 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -56.6 | -179.4 | -66.8 | -177.1 | 178.9 | -179.9 | 0 | 111.6 | C40 M58 C61 L63 | C40-K42 PolarHBondContact O-N 3.11Å; C40-K42 PolarHBondContact SG-N 3.38Å; K42-M58 HydrophobicContact CD-CE 4.44Å; K42-C61 HydrophobicContact CD-CB 4.43Å; K42-L63 HydrophobicContact CB-CD2 4.07Å; K42-L63 HydrophobicContact CB-CG 4.49Å; K42-L63 WeakPolarHBondContact O-CD2 3.1Å |
| 43 | C | 68.6 | Low | 78.5 | Confident | 36 Ų | 36 | 77.3 Ų | 77.3 | 24% | 0.243 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -12.9 | -173.5 | 71.7 | 0 | 0 | 0 | 0 | 115.2 | C40 S45 H57 | C40-C43 VanDerWaalsContact CB-SG 3.57Å; C43-S45 WeakPolarHBondContact O-CB 3.28Å; C43-S45 PolarHBondContact O-N 3.32Å; C43-S45 PolarHBondContact O-OG 2.77Å; C43-S45 PolarHBondContact SG-OG 2.8Å; C43-H57 PolarHBondContact SG-NE2 2.89Å |
| 44 | K | 71.1 | Confident | 78.4 | Confident | 171 Ų | 171 | 72 Ų | 72 | 74% | 0.743 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 48.7 | 0.3 | -174 | -62.6 | -179.2 | -178.4 | 176.2 | 0 | 116.5 | C40 | C40-K44 WeakPolarHBondContact O-CA 3.45Å; C40-K44 PolarHBondContact O-N 2.85Å |
| 45 | S | 69.4 | Low | 78.4 | Confident | 97 Ų | 97 | 72.6 Ų | 72.6 | 68% | 0.678 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -102.6 | -23.1 | -170.9 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | C43 | C43-S45 WeakPolarHBondContact O-CB 3.28Å; C43-S45 PolarHBondContact O-N 3.32Å; C43-S45 PolarHBondContact O-OG 2.77Å; C43-S45 PolarHBondContact SG-OG 2.8Å |
| 46 | V | 73.6 | Confident | 78.4 | Confident | 40 Ų | 40 | 71.6 Ų | 71.6 | 24% | 0.242 | 37% | 0.369 | C | S | . | . | trans | -106.5 | 121.3 | 179.1 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | C40 R48 | C40-V46 PolarHBondContact N-O 2.74Å; V46-R48 HydrophobicContact CG1-CG 4.24Å | ||
| 47 | S | 79.6 | Confident | 78.3 | Confident | 52 Ų | 52 | 71.1 Ų | 71.1 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.3 | 171 | 70.9 | 0 | 0 | 0 | 0 | 110.8 | V38 | V38-S47 CarbonylContact O-C 3.57Å; V38-S47 VanDerWaalsContact O-CA 3.27Å; V38-S47 WeakPolarHBondContact O-CA 2.77Å |
| 48 | R | 81.8 | Confident | 78.1 | Confident | 115 Ų | 115 | 66.6 Ų | 66.6 | 43% | 0.434 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 152.6 | 178.8 | -62.3 | -63.5 | -173.4 | 178.3 | 0.2 | 110.8 | R37 V38 V46 L54 | R37-R48 CarbonylContact C-O 3.52Å; R37-R48 VanDerWaalsContact CA-O 3.26Å; R37-R48 WeakPolarHBondContact CA-O 3.43Å; V38-R48 PolarHBondContact N-O 2.87Å; V38-R48 PolarHBondContact O-N 3.49Å; V46-R48 HydrophobicContact CG1-CG 4.24Å; R48-L54 HydrophobicContact CB-CB 4.27Å |
| 49 | K | 81.1 | Confident | 77.6 | Confident | 137 Ų | 137 | 73.7 Ų | 73.7 | 60% | 0.596 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -93.2 | -6.6 | -179.2 | -66 | -179.5 | 177.7 | -173.5 | 0 | 113.2 | I32 R37 | I32-K49 VanDerWaalsContact CG2-O 3.29Å; I32-K49 WeakPolarHBondContact CG2-O 3.36Å; R37-K49 HydrophobicContact CG-CG 3.98Å |
| 50 | T | 83.8 | Confident | 76.9 | Confident | 80 Ų | 80 | 77 Ų | 77 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -135.9 | 145.6 | -177.5 | 57 | 0 | 0 | 0 | 0 | 109.8 | G53 L54 | T50-G53 PolarHBondContact O-N 2.94Å; T50-G53 PolarHBondContact OG1-N 3.31Å; T50-L54 PolarHBondContact O-N 3.45Å; T50-L54 VanDerWaalsContact O-N 3.15Å |
| 51 | V | 82.3 | Confident | 76.4 | Confident | 3 Ų | 3 | 77.9 Ų | 77.9 | 2% | 0.018 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 176.8 | 175 | 0 | 0 | 0 | 0 | 110.6 | Y19 E25 W28 Q29 I32 G53 L54 K55 | Y19-V51 HydrophobicContact CE1-CG1 4.32Å; Y19-V51 HydrophobicContact CE2-CG1 4.48Å; Y19-V51 HydrophobicContact CE2-CG2 4.29Å; E25-V51 HydrophobicContact CB-CG1 3.97Å; E25-V51 HydrophobicContact CG-CG1 4.04Å; W28-V51 HydrophobicContact CB-CG2 4.24Å; W28-V51 HydrophobicContact CE3-CG1 4.26Å; Q29-V51 HydrophobicContact CB-CG2 3.9Å; Q29-V51 VanDerWaalsContact OE1-CG2 3.24Å; I32-V51 HydrophobicContact CD1-CG2 3.71Å; V51-G53 VanDerWaalsContact C-N 3.28Å; V51-G53 PolarHBondContact O-N 2.74Å; V51-L54 WeakPolarHBondContact O-CB 3.08Å; V51-L54 PolarHBondContact O-N 3.4Å; V51-K55 PolarHBondContact O-N 2.87Å |
| 52 | E | 81.2 | Confident | 75.8 | Confident | 100 Ų | 100 | 85.5 Ų | 85.5 | 47% | 0.467 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.6 | -39.2 | 176.6 | -138.3 | 63.5 | -137.7 | 0 | 0 | 113 | L54 K55 K56 | E52-L54 VanDerWaalsContact C-N 3.31Å; E52-L54 PolarHBondContact O-N 3.12Å; E52-K55 PolarHBondContact O-N 3.4Å; E52-K56 PolarHBondContact O-N 2.88Å; E52-K56 VanDerWaalsContact O-N 3.11Å |
| 53 | G | 80.7 | Confident | 75.2 | Confident | 20 Ų | 20 | 86 Ų | 86 | 21% | 0.206 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -70.1 | -29.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T50 V51 | T50-G53 PolarHBondContact O-N 2.94Å; T50-G53 PolarHBondContact OG1-N 3.31Å; V51-G53 VanDerWaalsContact C-N 3.28Å; V51-G53 PolarHBondContact O-N 2.74Å |
| 54 | L | 81.3 | Confident | 74.5 | Confident | 0 Ų | 0 | 91.2 Ų | 91.2 | 0% | 0 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -75.3 | -41.9 | 171.5 | 178.9 | 61.9 | 0 | 0 | 0 | 111.3 | W28 V38 C40 R48 T50 V51 E52 K56 H57 M58 | W28-L54 HydrophobicContact CD2-CD2 3.59Å; W28-L54 HydrophobicContact CE3-CD2 3.99Å; W28-L54 HydrophobicContact CG-CD2 3.87Å; W28-L54 HydrophobicContact CZ2-CD2 4.2Å; W28-L54 HydrophobicContact CZ3-CD2 4.48Å; V38-L54 HydrophobicContact CB-CD2 4.24Å; V38-L54 HydrophobicContact CG1-CB 4.09Å; V38-L54 HydrophobicContact CG1-CD2 3.57Å; V38-L54 HydrophobicContact CG1-CG 4.35Å; V38-L54 HydrophobicContact CG2-CD2 3.65Å; C40-L54 HydrophobicContact CB-CD1 3.69Å; R48-L54 HydrophobicContact CB-CB 4.27Å; T50-L54 PolarHBondContact O-N 3.45Å; T50-L54 VanDerWaalsContact O-N 3.15Å; V51-L54 WeakPolarHBondContact O-CB 3.08Å; V51-L54 PolarHBondContact O-N 3.4Å; E52-L54 VanDerWaalsContact C-N 3.31Å; E52-L54 PolarHBondContact O-N 3.12Å; L54-K56 PolarHBondContact O-N 2.91Å; L54-H57 WeakPolarHBondContact O-CA 3.27Å; L54-H57 WeakPolarHBondContact O-CB 3.25Å; L54-H57 PolarHBondContact O-N 3.26Å; L54-H57 VanDerWaalsContact O-N 3.08Å; L54-M58 HydrophobicContact CD1-CG 4.25Å; L54-M58 HydrophobicContact CD1-SD 4.48Å; L54-M58 HydrophobicContact CG-CG 4.38Å; L54-M58 HydrophobicContact CG-SD 4.17Å; L54-M58 WeakPolarHBondContact O-CG 3.28Å; L54-M58 PolarHBondContact O-N 3.44Å |
| 55 | K | 82.1 | Confident | 74 | Confident | 95 Ų | 95 | 85.4 Ų | 85.4 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.4 | -50.1 | 178.9 | -168.5 | 174 | 179.5 | 177.5 | 0 | 112.1 | V51 E52 H57 M58 E59 | V51-K55 PolarHBondContact O-N 2.87Å; E52-K55 PolarHBondContact O-N 3.4Å; K55-H57 VanDerWaalsContact C-N 3.27Å; K55-H57 PolarHBondContact O-N 2.9Å; K55-M58 WeakPolarHBondContact O-CB 3.48Å; K55-M58 PolarHBondContact O-N 3.22Å; K55-E59 PolarHBondContact O-N 3.04Å |
| 56 | K | 80.4 | Confident | 73.8 | Confident | 145 Ų | 145 | 84.6 Ų | 84.6 | 63% | 0.63 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58.3 | -36.5 | 173.5 | -73.3 | -176.7 | 177.1 | -176.8 | 0 | 113.5 | E52 L54 | E52-K56 PolarHBondContact O-N 2.88Å; E52-K56 VanDerWaalsContact O-N 3.11Å; L54-K56 PolarHBondContact O-N 2.91Å |
| 57 | H | 76.4 | Confident | 73.6 | Confident | 32 Ų | 32 | 87 Ų | 87 | 15% | 0.148 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 175.5 | 167.1 | 68.1 | 0 | 0 | 0 | 111.5 | C40 C43 L54 K55 E59 N60 C61 | C40-H57 WeakPolarHBondContact CB-NE2 3.14Å; C40-H57 PolarHBondContact SG-CD2 2.85Å; C40-H57 PolarHBondContact SG-NE2 3.34Å; C43-H57 PolarHBondContact SG-NE2 2.89Å; L54-H57 WeakPolarHBondContact O-CA 3.27Å; L54-H57 WeakPolarHBondContact O-CB 3.25Å; L54-H57 PolarHBondContact O-N 3.26Å; L54-H57 VanDerWaalsContact O-N 3.08Å; K55-H57 VanDerWaalsContact C-N 3.27Å; K55-H57 PolarHBondContact O-N 2.9Å; H57-E59 VanDerWaalsContact C-N 3.31Å; H57-E59 PolarHBondContact O-N 3.49Å; H57-N60 CarbonylContact O-C 2.94Å; H57-N60 PolarHBondContact O-N 3.49Å; H57-C61 WeakPolarHBondContact O-CB 3.26Å; H57-C61 PolarHBondContact O-N 3.42Å |
| 58 | M | 76.3 | Confident | 73.3 | Confident | 39 Ų | 39 | 84.6 Ų | 84.6 | 19% | 0.192 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.9 | -27.6 | -179.6 | -74.3 | -176.3 | 64.5 | 0 | 0 | 113.9 | W28 K42 L54 K55 | W28-M58 HydrophobicContact CH2-CE 3.85Å; W28-M58 HydrophobicContact CH2-SD 3.25Å; W28-M58 WeakPolarHBondContact CH2-SD 3.49Å; W28-M58 HydrophobicContact CZ2-CE 3.96Å; W28-M58 HydrophobicContact CZ2-SD 3.44Å; W28-M58 WeakPolarHBondContact CZ2-SD 3.28Å; W28-M58 HydrophobicContact CZ3-SD 4.17Å; K42-M58 HydrophobicContact CD-CE 4.44Å; L54-M58 HydrophobicContact CD1-CG 4.25Å; L54-M58 HydrophobicContact CD1-SD 4.48Å; L54-M58 HydrophobicContact CG-CG 4.38Å; L54-M58 HydrophobicContact CG-SD 4.17Å; L54-M58 WeakPolarHBondContact O-CG 3.28Å; L54-M58 PolarHBondContact O-N 3.44Å; K55-M58 WeakPolarHBondContact O-CB 3.48Å; K55-M58 PolarHBondContact O-N 3.22Å |
| 59 | E | 74.4 | Confident | 72.6 | Confident | 149 Ų | 149 | 88.1 Ų | 88.1 | 70% | 0.696 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.4 | -38 | 171.8 | -69.1 | 174.8 | 154.2 | 0 | 0 | 111.8 | K55 H57 | K55-E59 PolarHBondContact O-N 3.04Å; H57-E59 VanDerWaalsContact C-N 3.31Å; H57-E59 PolarHBondContact O-N 3.49Å |
| 60 | N | 65.4 | Low | 71.8 | Confident | 138 Ų | 138 | 87.9 Ų | 87.9 | 74% | 0.738 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -99.3 | 1.9 | -179.1 | -102.3 | 68.5 | 0 | 0 | 0 | 114.6 | H57 R62 | H57-N60 CarbonylContact O-C 2.94Å; H57-N60 PolarHBondContact O-N 3.49Å; N60-R62 PolarHBondContact O-N 3.09Å |
| 61 | C | 71.6 | Confident | 70.9 | Confident | 18 Ų | 18 | 86.8 Ų | 86.8 | 12% | 0.122 | 42% | 0.418 | C | S | . | . | trans | -77.9 | 83.1 | -176 | -176.7 | 0 | 0 | 0 | 0 | 111 | K42 H57 | K42-C61 HydrophobicContact CD-CB 4.43Å; H57-C61 WeakPolarHBondContact O-CB 3.26Å; H57-C61 PolarHBondContact O-N 3.42Å | ||
| 62 | R | 62.5 | Low | 70.1 | Confident | 226 Ų | 226 | 88.9 Ų | 88.9 | 85% | 0.853 | 44% | 0.44 | S | S | * | . | trans | -81 | 122 | 170.6 | -64.8 | -174.5 | -177.9 | -179.1 | 0.7 | 109.9 | N60 Q64 | N60-R62 PolarHBondContact O-N 3.09Å; R62-Q64 VanDerWaalsContact C-N 3.33Å; R62-Q64 PolarHBondContact O-N 2.83Å | ||
| 63 | L | 56.3 | Low | 69.7 | Low | 112 Ų | 112 | 89.5 Ų | 89.5 | 59% | 0.586 | 44% | 0.441 | S | S | * | . | trans | -79.9 | 1.2 | -169.4 | -79.8 | 165.3 | 0 | 0 | 0 | 115.7 | K42 P65 | K42-L63 HydrophobicContact CB-CD2 4.07Å; K42-L63 HydrophobicContact CB-CG 4.49Å; K42-L63 WeakPolarHBondContact O-CD2 3.1Å; L63-P65 WeakPolarHBondContact O-CD 3.46Å | ||
| 64 | Q | 53.4 | Low | 69.4 | Low | 146 Ų | 146 | 94.8 Ų | 94.8 | 68% | 0.682 | 46% | 0.461 | S | S | * | . | trans | -95.1 | 114.8 | -177 | -75.6 | -69.2 | -19.3 | 0 | 0 | 110.5 | R62 F66 | R62-Q64 VanDerWaalsContact C-N 3.33Å; R62-Q64 PolarHBondContact O-N 2.83Å; Q64-F66 PolarHBondContact O-N 3.4Å | ||
| 65 | P | 60.7 | Low | 69.1 | Low | 50 Ų | 50 | 96.9 Ų | 96.9 | 33% | 0.325 | 47% | 0.472 | S | S | . | . | trans | -58.2 | 130.1 | 164.4 | 24.4 | -29.4 | 0 | 0 | 0 | 107.9 | L63 I67 Q74 | L63-P65 WeakPolarHBondContact O-CD 3.46Å; P65-I67 PolarHBondContact O-N 2.95Å; P65-Q74 HydrophobicContact CB-CB 3.97Å; P65-Q74 HydrophobicContact CB-CG 3.98Å; P65-Q74 HydrophobicContact CG-CG 4.26Å | ||
| 66 | F | 65.6 | Low | 68.4 | Low | 79 Ų | 79 | 102.7 Ų | 102.7 | 35% | 0.346 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 109.5 | 177.7 | -64.9 | -90.1 | 0 | 0 | 0 | 107.2 | Q64 Q74 L75 S77 S78 M81 | Q64-F66 PolarHBondContact O-N 3.4Å; F66-Q74 CarbonylContact O-C 3.55Å; F66-Q74 WeakPolarHBondContact O-CA 3.43Å; F66-L75 HydrophobicContact CB-CB 4.45Å; F66-L75 PolarHBondContact N-O 3.43Å; F66-L75 PolarHBondContact O-N 3.18Å; F66-S77 VanDerWaalsContact CE2-C 3.44Å; F66-S78 VanDerWaalsContact CD2-N 3.33Å; F66-S78 VanDerWaalsContact CE1-CB 3.48Å; F66-M81 HydrophobicContact CB-CB 3.96Å; F66-M81 HydrophobicContact CB-CE 3.57Å; F66-M81 HydrophobicContact CB-CG 4.35Å; F66-M81 HydrophobicContact CG-CB 4.47Å; F66-M81 WeakPolarHBondContact O-CE 3.3Å |
| 67 | I | 68.8 | Low | 68 | Low | 91 Ų | 91 | 98.3 Ų | 98.3 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 127.6 | 177.4 | -63.8 | 161.9 | 0 | 0 | 0 | 108.5 | P65 Q69 K73 Q74 | P65-I67 PolarHBondContact O-N 2.95Å; I67-Q69 PolarHBondContact O-N 3.07Å; I67-K73 WeakPolarHBondContact CA-O 3.48Å; I67-Q74 HydrophobicContact CD1-CG 4.48Å; I67-Q74 HydrophobicContact CG1-CG 3.62Å |
| 68 | C | 73 | Confident | 67.7 | Low | 1 Ų | 1 | 100 Ų | 100 | 1% | 0.007 | 50% | 0.5 | C | S | . | . | trans | -73.2 | 122 | 174.7 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | H70 C71 G72 K73 M81 H84 H89 | C68-H70 PolarHBondContact O-N 3.18Å; C68-H70 PolarHBondContact SG-N 3.37Å; C68-C71 PolarHBondContact O-N 3.12Å; C68-G72 VanDerWaalsContact O-CA 3.23Å; C68-G72 WeakPolarHBondContact O-CA 3.05Å; C68-G72 PolarHBondContact O-N 2.89Å; C68-K73 PolarHBondContact N-O 3.23Å; C68-M81 HydrophobicContact CB-CE 3.92Å; C68-M81 HydrophobicContact CB-SD 3.77Å; C68-H84 VanDerWaalsContact CB-NE2 3.31Å; C68-H84 WeakPolarHBondContact CB-NE2 3.49Å; C68-H84 PolarHBondContact SG-NE2 3.02Å; C68-H84 VanDerWaalsContact SG-NE2 3.36Å; C68-H89 PolarHBondContact SG-CD2 2.79Å; C68-H89 PolarHBondContact SG-NE2 3.42Å; C68-H89 VanDerWaalsContact SG-NE2 3.41Å | ||
| 69 | Q | 68.4 | Low | 67.7 | Low | 189 Ų | 189 | 102.1 Ų | 102.1 | 88% | 0.883 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25 | 177.8 | -75.8 | -176.2 | -13.4 | 0 | 0 | 113.2 | I67 | I67-Q69 PolarHBondContact O-N 3.07Š|
| 70 | H | 62.8 | Low | 67.9 | Low | 132 Ų | 132 | 96 Ų | 96 | 61% | 0.611 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -21.1 | -177.3 | -61.7 | -71.8 | 0 | 0 | 0 | 114.7 | C68 H89 | C68-H70 PolarHBondContact O-N 3.18Å; C68-H70 PolarHBondContact SG-N 3.37Å; H70-H89 WeakPolarHBondContact CB-CE1 3.18Å; H70-H89 WeakPolarHBondContact CB-ND1 3.37Å |
| 71 | C | 66.3 | Low | 68.5 | Low | 57 Ų | 57 | 90.3 Ų | 90.3 | 39% | 0.385 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.5 | 5.5 | -178.9 | 70.4 | 0 | 0 | 0 | 0 | 115.3 | C68 K73 H84 H89 | C68-C71 PolarHBondContact O-N 3.12Å; C71-K73 PolarHBondContact O-N 3.37Å; C71-K73 VanDerWaalsContact O-N 3.08Å; C71-K73 VanDerWaalsContact SG-CG 3.59Å; C71-H84 PolarHBondContact SG-CE1 3.02Å; C71-H84 PolarHBondContact SG-NE2 3.02Å; C71-H89 PolarHBondContact SG-NE2 2.78Å |
| 72 | G | 65.6 | Low | 68.6 | Low | 47 Ų | 47 | 96.4 Ų | 96.4 | 49% | 0.485 | 49% | 0.486 | S | S | . | . | trans | 68.6 | 1.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | C68 Q74 | C68-G72 VanDerWaalsContact O-CA 3.23Å; C68-G72 WeakPolarHBondContact O-CA 3.05Å; C68-G72 PolarHBondContact O-N 2.89Å; G72-Q74 PolarHBondContact O-N 2.76Å | ||
| 73 | K | 72 | Confident | 69.3 | Low | 113 Ų | 113 | 92.2 Ų | 92.2 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | trans | -67.8 | 127.7 | -176.7 | -75.6 | -177.6 | -173.9 | 177.1 | 0 | 112 | I67 C68 C71 | I67-K73 WeakPolarHBondContact CA-O 3.48Å; C68-K73 PolarHBondContact N-O 3.23Å; C71-K73 PolarHBondContact O-N 3.37Å; C71-K73 VanDerWaalsContact O-N 3.08Å; C71-K73 VanDerWaalsContact SG-CG 3.59Å | ||
| 74 | Q | 73.8 | Confident | 70.3 | Confident | 131 Ų | 131 | 87.6 Ų | 87.6 | 61% | 0.612 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 122.5 | 175.5 | -74.8 | -178.4 | 24.4 | 0 | 0 | 111.2 | P65 F66 I67 G72 | P65-Q74 HydrophobicContact CB-CB 3.97Å; P65-Q74 HydrophobicContact CB-CG 3.98Å; P65-Q74 HydrophobicContact CG-CG 4.26Å; F66-Q74 CarbonylContact O-C 3.55Å; F66-Q74 WeakPolarHBondContact O-CA 3.43Å; I67-Q74 HydrophobicContact CD1-CG 4.48Å; I67-Q74 HydrophobicContact CG1-CG 3.62Å; G72-Q74 PolarHBondContact O-N 2.76Å |
| 75 | L | 74.9 | Confident | 71.3 | Confident | 45 Ų | 45 | 83.8 Ų | 83.8 | 24% | 0.236 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145.6 | 179.5 | -68.5 | 164 | 0 | 0 | 0 | 110.4 | F66 S77 M81 H84 | F66-L75 HydrophobicContact CB-CB 4.45Å; F66-L75 PolarHBondContact N-O 3.43Å; F66-L75 PolarHBondContact O-N 3.18Å; L75-S77 PolarHBondContact O-N 3.08Å; L75-M81 HydrophobicContact CB-CE 4.29Å; L75-M81 HydrophobicContact CD1-CB 4.34Å; L75-M81 HydrophobicContact CD1-CE 3.86Å; L75-M81 HydrophobicContact CD1-SD 4.05Å; L75-M81 HydrophobicContact CG-CE 4.43Å; L75-H84 HydrophobicContact CD1-CB 3.27Å; L75-H84 VanDerWaalsContact CD1-CG 3.48Å |
| 76 | K | 66.9 | Low | 71.7 | Confident | 216 Ų | 216 | 84.3 Ų | 84.3 | 94% | 0.939 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -77.1 | -8.9 | -173 | -60.1 | 178.9 | -178.6 | 178.7 | 0 | 113.3 | ||
| 77 | S | 72.9 | Confident | 71.8 | Confident | 53 Ų | 53 | 82.1 Ų | 82.1 | 37% | 0.371 | 43% | 0.426 | S | S | . | . | trans | -151.5 | 152.1 | -178.2 | 64.8 | 0 | 0 | 0 | 0 | 112.9 | F66 L75 T79 G80 M81 | F66-S77 VanDerWaalsContact CE2-C 3.44Å; L75-S77 PolarHBondContact O-N 3.08Å; S77-T79 VanDerWaalsContact C-N 3.34Å; S77-G80 PolarHBondContact O-N 3.46Å; S77-G80 PolarHBondContact OG-N 3.06Å; S77-M81 PolarHBondContact O-N 3.39Å | ||
| 78 | S | 71 | Confident | 71.4 | Confident | 67 Ų | 67 | 80.6 Ų | 80.6 | 47% | 0.469 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 174.8 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | F66 M81 K82 | F66-S78 VanDerWaalsContact CD2-N 3.33Å; F66-S78 VanDerWaalsContact CE1-CB 3.48Å; S78-M81 WeakPolarHBondContact O-CB 3.42Å; S78-M81 PolarHBondContact O-N 2.9Å; S78-K82 PolarHBondContact O-N 3.02Å |
| 79 | T | 75.3 | Confident | 71.1 | Confident | 84 Ų | 84 | 82.6 Ų | 82.6 | 52% | 0.515 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 171.8 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | S77 M81 K82 Y83 | S77-T79 VanDerWaalsContact C-N 3.34Å; T79-M81 VanDerWaalsContact C-N 3.29Å; T79-M81 PolarHBondContact O-N 3.17Å; T79-K82 PolarHBondContact O-N 3.44Å; T79-Y83 HydrophobicContact CG2-CD2 3.72Å; T79-Y83 HydrophobicContact CG2-CE2 3.42Å; T79-Y83 VanDerWaalsContact CG2-CE2 3.42Å; T79-Y83 WeakPolarHBondContact O-CD2 3.16Å; T79-Y83 PolarHBondContact O-N 3.37Å |
| 80 | G | 78.1 | Confident | 70.9 | Confident | 21 Ų | 21 | 76.2 Ų | 76.2 | 22% | 0.216 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S77 Y83 H84 | S77-G80 PolarHBondContact O-N 3.46Å; S77-G80 PolarHBondContact OG-N 3.06Å; G80-Y83 PolarHBondContact O-N 3Å; G80-H84 VanDerWaalsContact O-CB 3.26Å; G80-H84 WeakPolarHBondContact O-CB 3.44Å; G80-H84 PolarHBondContact O-N 3.09Å |
| 81 | M | 78.1 | Confident | 70.7 | Confident | 19 Ų | 19 | 77 Ų | 77 | 9% | 0.094 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 172.6 | -178.4 | 55.8 | 68.9 | 0 | 0 | 112.5 | F66 C68 L75 S77 S78 T79 Y83 H84 I85 | F66-M81 HydrophobicContact CB-CB 3.96Å; F66-M81 HydrophobicContact CB-CE 3.57Å; F66-M81 HydrophobicContact CB-CG 4.35Å; F66-M81 HydrophobicContact CG-CB 4.47Å; F66-M81 WeakPolarHBondContact O-CE 3.3Å; C68-M81 HydrophobicContact CB-CE 3.92Å; C68-M81 HydrophobicContact CB-SD 3.77Å; L75-M81 HydrophobicContact CB-CE 4.29Å; L75-M81 HydrophobicContact CD1-CB 4.34Å; L75-M81 HydrophobicContact CD1-CE 3.86Å; L75-M81 HydrophobicContact CD1-SD 4.05Å; L75-M81 HydrophobicContact CG-CE 4.43Å; S77-M81 PolarHBondContact O-N 3.39Å; S78-M81 WeakPolarHBondContact O-CB 3.42Å; S78-M81 PolarHBondContact O-N 2.9Å; T79-M81 VanDerWaalsContact C-N 3.29Å; T79-M81 PolarHBondContact O-N 3.17Å; M81-Y83 VanDerWaalsContact C-N 3.34Å; M81-Y83 PolarHBondContact O-N 3.23Å; M81-H84 WeakPolarHBondContact O-CB 3.47Å; M81-H84 PolarHBondContact O-N 3.12Å; M81-I85 HydrophobicContact CG-CD1 3.83Å; M81-I85 HydrophobicContact CG-CG1 4.41Å; M81-I85 WeakPolarHBondContact O-CG1 3.25Å; M81-I85 PolarHBondContact O-N 3.09Å; M81-I85 HydrophobicContact SD-CD1 3.84Å; M81-I85 HydrophobicContact SD-CG1 3.94Å |
| 82 | K | 74 | Confident | 70.2 | Confident | 146 Ų | 146 | 75.1 Ų | 75.1 | 64% | 0.635 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61 | -42.5 | 178.3 | -169.8 | 173.9 | -176.5 | 174.2 | 0 | 111.8 | S78 T79 M86 | S78-K82 PolarHBondContact O-N 3.02Å; T79-K82 PolarHBondContact O-N 3.44Å; K82-M86 HydrophobicContact CG-SD 4.13Å; K82-M86 VanDerWaalsContact O-CB 3.32Å; K82-M86 WeakPolarHBondContact O-CB 3.33Å; K82-M86 VanDerWaalsContact O-CG 3.27Å; K82-M86 WeakPolarHBondContact O-CG 3.34Å; K82-M86 PolarHBondContact O-N 3.45Å |
| 83 | Y | 76.7 | Confident | 69.6 | Low | 138 Ų | 138 | 74.8 Ų | 74.8 | 54% | 0.541 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 174.3 | -78 | -67.4 | 0 | 0 | 0 | 112.7 | T79 G80 M81 M86 A87 | T79-Y83 HydrophobicContact CG2-CD2 3.72Å; T79-Y83 HydrophobicContact CG2-CE2 3.42Å; T79-Y83 VanDerWaalsContact CG2-CE2 3.42Å; T79-Y83 WeakPolarHBondContact O-CD2 3.16Å; T79-Y83 PolarHBondContact O-N 3.37Å; G80-Y83 PolarHBondContact O-N 3Å; M81-Y83 VanDerWaalsContact C-N 3.34Å; M81-Y83 PolarHBondContact O-N 3.23Å; Y83-M86 CarbonylContact O-C 3.56Å; Y83-M86 PolarHBondContact O-N 3.46Å; Y83-A87 WeakPolarHBondContact O-CB 3.25Å; Y83-A87 PolarHBondContact O-N 3.38Å |
| 84 | H | 77.6 | Confident | 68.6 | Low | 14 Ų | 14 | 72.2 Ų | 72.2 | 7% | 0.065 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 175.6 | 166.2 | 65.1 | 0 | 0 | 0 | 111.8 | C68 C71 L75 G80 M81 M86 A87 D88 H89 | C68-H84 VanDerWaalsContact CB-NE2 3.31Å; C68-H84 WeakPolarHBondContact CB-NE2 3.49Å; C68-H84 PolarHBondContact SG-NE2 3.02Å; C68-H84 VanDerWaalsContact SG-NE2 3.36Å; C71-H84 PolarHBondContact SG-CE1 3.02Å; C71-H84 PolarHBondContact SG-NE2 3.02Å; L75-H84 HydrophobicContact CD1-CB 3.27Å; L75-H84 VanDerWaalsContact CD1-CG 3.48Å; G80-H84 VanDerWaalsContact O-CB 3.26Å; G80-H84 WeakPolarHBondContact O-CB 3.44Å; G80-H84 PolarHBondContact O-N 3.09Å; M81-H84 WeakPolarHBondContact O-CB 3.47Å; M81-H84 PolarHBondContact O-N 3.12Å; H84-M86 VanDerWaalsContact C-N 3.33Å; H84-M86 PolarHBondContact O-N 2.96Å; H84-A87 PolarHBondContact O-N 3.13Å; H84-A87 VanDerWaalsContact O-N 3.13Å; H84-D88 IonicContact CE1-OD2 3.83Å; H84-D88 PolarHBondContact CE1-OD2 3.39Å; H84-D88 VanDerWaalsContact CE1-OD2 3.25Å; H84-D88 IonicContact CG-OD2 2.71Å; H84-D88 IonicContact ND1-OD2 3.95Å; H84-D88 PolarHBondContact ND1-OD2 2.88Å; H84-D88 WeakPolarHBondContact O-CB 3.49Å; H84-D88 PolarHBondContact O-N 3.19Å; H84-H89 AromaticContact CE1-NE2 3.69Å; H84-H89 AromaticContact NE2-CD2 3.68Å; H84-H89 AromaticContact NE2-NE2 3.45Å; H84-H89 PolarHBondContact NE2-NE2 3.12Å |
| 85 | I | 74.4 | Confident | 67.5 | Low | 66 Ų | 66 | 67.5 Ų | 67.5 | 34% | 0.338 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 173.6 | -66.5 | 168.5 | 0 | 0 | 0 | 109.6 | M81 A87 H89 S90 | M81-I85 HydrophobicContact CG-CD1 3.83Å; M81-I85 HydrophobicContact CG-CG1 4.41Å; M81-I85 WeakPolarHBondContact O-CG1 3.25Å; M81-I85 PolarHBondContact O-N 3.09Å; M81-I85 HydrophobicContact SD-CD1 3.84Å; M81-I85 HydrophobicContact SD-CG1 3.94Å; I85-A87 PolarHBondContact O-N 3.36Å; I85-H89 HydrophobicContact CG2-CB 4.25Å; I85-H89 CarbonylContact O-C 3.51Å; I85-H89 VanDerWaalsContact O-CA 3.22Å; I85-H89 WeakPolarHBondContact O-CA 3.28Å; I85-H89 WeakPolarHBondContact O-CB 3.4Å; I85-H89 PolarHBondContact O-N 2.92Å; I85-S90 PolarHBondContact O-N 3.46Å |
| 86 | M | 70.5 | Confident | 66.2 | Low | 61 Ų | 61 | 72.1 Ų | 72.1 | 30% | 0.3 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.3 | -21.1 | 176.5 | -75.8 | 170.5 | 54.9 | 0 | 0 | 114.4 | K82 Y83 H84 S90 R116 | K82-M86 HydrophobicContact CG-SD 4.13Å; K82-M86 VanDerWaalsContact O-CB 3.32Å; K82-M86 WeakPolarHBondContact O-CB 3.33Å; K82-M86 VanDerWaalsContact O-CG 3.27Å; K82-M86 WeakPolarHBondContact O-CG 3.34Å; K82-M86 PolarHBondContact O-N 3.45Å; Y83-M86 CarbonylContact O-C 3.56Å; Y83-M86 PolarHBondContact O-N 3.46Å; H84-M86 VanDerWaalsContact C-N 3.33Å; H84-M86 PolarHBondContact O-N 2.96Å; M86-S90 VanDerWaalsContact CA-OG 3.23Å; M86-S90 WeakPolarHBondContact CA-OG 3.26Å; M86-S90 WeakPolarHBondContact O-CB 3.23Å; M86-S90 PolarHBondContact O-OG 2.87Å; M86-R116 VanDerWaalsContact CE-NH2 3.25Å |
| 87 | A | 65.8 | Low | 65.2 | Low | 34 Ų | 34 | 66.4 Ų | 66.4 | 28% | 0.281 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -102.1 | -37.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y83 H84 I85 L117 | Y83-A87 WeakPolarHBondContact O-CB 3.25Å; Y83-A87 PolarHBondContact O-N 3.38Å; H84-A87 PolarHBondContact O-N 3.13Å; H84-A87 VanDerWaalsContact O-N 3.13Å; I85-A87 PolarHBondContact O-N 3.36Å; A87-L117 HydrophobicContact CB-CD2 3.57Å; A87-L117 WeakPolarHBondContact O-CD1 3.47Å |
| 88 | D | 61.4 | Low | 64.2 | Low | 58 Ų | 58 | 68.1 Ų | 68.1 | 31% | 0.31 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -107.8 | -20.7 | -174.5 | -72.6 | -50.5 | 0 | 0 | 0 | 112.7 | H84 K121 | H84-D88 IonicContact CE1-OD2 3.83Å; H84-D88 PolarHBondContact CE1-OD2 3.39Å; H84-D88 VanDerWaalsContact CE1-OD2 3.25Å; H84-D88 IonicContact CG-OD2 2.71Å; H84-D88 IonicContact ND1-OD2 3.95Å; H84-D88 PolarHBondContact ND1-OD2 2.88Å; H84-D88 WeakPolarHBondContact O-CB 3.49Å; H84-D88 PolarHBondContact O-N 3.19Å; D88-K121 IonicContact OD1-NZ 3.64Å; D88-K121 PolarHBondContact OD1-NZ 3.06Å |
| 89 | H | 66.3 | Low | 62.9 | Low | 44 Ų | 44 | 74.9 Ų | 74.9 | 20% | 0.204 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -131.2 | 13.3 | -175 | -56.9 | -63.3 | 0 | 0 | 0 | 113.7 | C68 H70 C71 H84 I85 N91 | C68-H89 PolarHBondContact SG-CD2 2.79Å; C68-H89 PolarHBondContact SG-NE2 3.42Å; C68-H89 VanDerWaalsContact SG-NE2 3.41Å; H70-H89 WeakPolarHBondContact CB-CE1 3.18Å; H70-H89 WeakPolarHBondContact CB-ND1 3.37Å; C71-H89 PolarHBondContact SG-NE2 2.78Å; H84-H89 AromaticContact CE1-NE2 3.69Å; H84-H89 AromaticContact NE2-CD2 3.68Å; H84-H89 AromaticContact NE2-NE2 3.45Å; H84-H89 PolarHBondContact NE2-NE2 3.12Å; I85-H89 HydrophobicContact CG2-CB 4.25Å; I85-H89 CarbonylContact O-C 3.51Å; I85-H89 VanDerWaalsContact O-CA 3.22Å; I85-H89 WeakPolarHBondContact O-CA 3.28Å; I85-H89 WeakPolarHBondContact O-CB 3.4Å; I85-H89 PolarHBondContact O-N 2.92Å; H89-N91 PolarHBondContact O-N 2.92Å |
| 90 | S | 65.5 | Low | 61.6 | Low | 55 Ų | 55 | 74.2 Ų | 74.2 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | trans | -63.5 | 106.4 | 169.7 | -82.7 | 0 | 0 | 0 | 0 | 107.2 | I85 M86 L92 | I85-S90 PolarHBondContact O-N 3.46Å; M86-S90 VanDerWaalsContact CA-OG 3.23Å; M86-S90 WeakPolarHBondContact CA-OG 3.26Å; M86-S90 WeakPolarHBondContact O-CB 3.23Å; M86-S90 PolarHBondContact O-OG 2.87Å; S90-L92 PolarHBondContact O-N 3.36Å | ||
| 91 | N | 57.9 | Low | 60.2 | Low | 147 Ų | 147 | 77.5 Ų | 77.5 | 79% | 0.786 | 42% | 0.424 | S | S | * | . | trans | -46.4 | 105.6 | 176.5 | -75.1 | -50.9 | 0 | 0 | 0 | 109.1 | H89 | H89-N91 PolarHBondContact O-N 2.92Š| ||
| 92 | L | 55.8 | Low | 59.2 | Low | 18 Ų | 18 | 81.6 Ų | 81.6 | 9% | 0.094 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 143.3 | 162.9 | -72.1 | 157.8 | 0 | 0 | 0 | 106.1 | S90 S94 L110 I113 K121 Y137 | S90-L92 PolarHBondContact O-N 3.36Å; L92-S94 PolarHBondContact O-N 2.77Å; L92-S94 VanDerWaalsContact O-N 3.08Å; L92-L110 HydrophobicContact CD2-CD2 3.83Å; L92-I113 HydrophobicContact CD2-CD1 3.55Å; L92-K121 WeakPolarHBondContact CD1-O 3.47Å; L92-Y137 HydrophobicContact CD1-CE2 4.29Å; L92-Y137 WeakPolarHBondContact CD1-OH 3.35Å |
| 93 | P | 53 | Low | 59 | Low | 41 Ų | 41 | 80.6 Ų | 80.6 | 27% | 0.266 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 125.1 | 176 | 10.5 | -17.7 | 0 | 0 | 0 | 108.7 | D97 | P93-D97 HydrophobicContact CB-CB 4.37Š|
| 94 | S | 50.6 | Low | 58.7 | Low | 58 Ų | 58 | 82.6 Ų | 82.6 | 41% | 0.406 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -65 | 158.2 | 179.5 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | L92 D96 D97 | L92-S94 PolarHBondContact O-N 2.77Å; L92-S94 VanDerWaalsContact O-N 3.08Å; S94-D96 PolarHBondContact O-N 3.17Å; S94-D97 PolarHBondContact N-OD2 3.42Å; S94-D97 PolarHBondContact O-N 3.44Å |
| 95 | A | 51.2 | Low | 58.6 | Low | 33 Ų | 33 | 83.9 Ų | 83.9 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -56.3 | -23.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T98 | A95-T98 WeakPolarHBondContact O-CB 3.39Å; A95-T98 WeakPolarHBondContact O-CG2 3.25Å; A95-T98 PolarHBondContact O-OG1 2.9Å |
| 96 | D | 47.3 | Very low | 58.6 | Low | 142 Ų | 142 | 82.2 Ų | 82.2 | 76% | 0.759 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -79.8 | -17 | 178.5 | -70.5 | -38.7 | 0 | 0 | 0 | 114.8 | S94 T98 | S94-D96 PolarHBondContact O-N 3.17Å; D96-T98 PolarHBondContact O-N 3.35Å |
| 97 | D | 46.4 | Very low | 59 | Low | 95 Ų | 95 | 84 Ų | 84 | 51% | 0.508 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -80.6 | 3.5 | 173.3 | -67.3 | -42.9 | 0 | 0 | 0 | 112.6 | P93 S94 | P93-D97 HydrophobicContact CB-CB 4.37Å; S94-D97 PolarHBondContact N-OD2 3.42Å; S94-D97 PolarHBondContact O-N 3.44Å |
| 98 | T | 51.1 | Low | 59.6 | Low | 90 Ų | 90 | 85.4 Ų | 85.4 | 55% | 0.552 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -87.9 | -3.4 | -173.4 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | A95 D96 G100 | A95-T98 WeakPolarHBondContact O-CB 3.39Å; A95-T98 WeakPolarHBondContact O-CG2 3.25Å; A95-T98 PolarHBondContact O-OG1 2.9Å; D96-T98 PolarHBondContact O-N 3.35Å; T98-G100 VanDerWaalsContact C-N 3.3Å; T98-G100 PolarHBondContact O-N 2.92Å; T98-G100 VanDerWaalsContact O-N 3.12Å |
| 99 | K | 43.2 | Very low | 60.5 | Low | 208 Ų | 208 | 87.8 Ų | 87.8 | 90% | 0.904 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -85.6 | 72.1 | 170.1 | -73.7 | -174.7 | 179.4 | -177.5 | 0 | 110.2 | ||
| 100 | G | 48.1 | Very low | 61.1 | Low | 71 Ų | 71 | 85.8 Ų | 85.8 | 73% | 0.732 | 47% | 0.466 | S | S | * | . | S | Bend | trans | 133.8 | 0.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | T98 | T98-G100 VanDerWaalsContact C-N 3.3Å; T98-G100 PolarHBondContact O-N 2.92Å; T98-G100 VanDerWaalsContact O-N 3.12Å |
| 101 | L | 49.7 | Very low | 61.9 | Low | 90 Ų | 90 | 88.3 Ų | 88.3 | 47% | 0.471 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -93.3 | 124.3 | 173.6 | -67.8 | 176.8 | 0 | 0 | 0 | 111 | D103 I106 | L101-D103 PolarHBondContact O-N 3.06Å; L101-I106 HydrophobicContact CB-CD1 4.18Å; L101-I106 HydrophobicContact CB-CG1 4.3Å |
| 102 | D | 57.7 | Low | 62.9 | Low | 105 Ų | 105 | 88.8 Ų | 88.8 | 56% | 0.561 | 46% | 0.462 | S | S | * | . | trans | -41.5 | 121.8 | 177.1 | 179.9 | 9.6 | 0 | 0 | 0 | 111.5 | R104 A105 I106 | D102-R104 PolarHBondContact O-N 3.42Å; D102-R104 WeakPolarHBondContact OD1-CB 3.43Å; D102-R104 PolarHBondContact OD1-N 3.48Å; D102-R104 WeakPolarHBondContact OD2-CB 3.5Å; D102-A105 PolarHBondContact O-N 3.47Å; D102-I106 PolarHBondContact O-N 3.28Å | ||
| 103 | D | 69.4 | Low | 63.9 | Low | 125 Ų | 125 | 90 Ų | 90 | 67% | 0.668 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -47.9 | -27.9 | 178.4 | -103.3 | 16.9 | 0 | 0 | 0 | 111.9 | L101 K107 | L101-D103 PolarHBondContact O-N 3.06Å; D103-K107 VanDerWaalsContact O-CB 3.25Å; D103-K107 WeakPolarHBondContact O-CB 3.28Å; D103-K107 PolarHBondContact O-N 3.4Å; D103-K107 VanDerWaalsContact O-N 3.14Å |
| 104 | R | 70.3 | Confident | 65.3 | Low | 180 Ų | 180 | 89.7 Ų | 89.7 | 68% | 0.679 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.6 | -45.8 | 175.4 | -164.6 | 175.5 | -176.3 | 171.4 | 1.4 | 113 | D102 K107 D108 | D102-R104 PolarHBondContact O-N 3.42Å; D102-R104 WeakPolarHBondContact OD1-CB 3.43Å; D102-R104 PolarHBondContact OD1-N 3.48Å; D102-R104 WeakPolarHBondContact OD2-CB 3.5Å; R104-K107 PolarHBondContact O-N 3.03Å; R104-D108 PolarHBondContact O-N 3.24Å |
| 105 | A | 74.3 | Confident | 66.6 | Low | 41 Ų | 41 | 95.2 Ų | 95.2 | 34% | 0.339 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | D102 D108 K109 | D102-A105 PolarHBondContact O-N 3.47Å; A105-D108 PolarHBondContact O-N 3.47Å; A105-K109 WeakPolarHBondContact O-CG 3.29Å; A105-K109 PolarHBondContact O-N 2.96Å |
| 106 | I | 75 | Confident | 67.4 | Low | 31 Ų | 31 | 101.2 Ų | 101.2 | 16% | 0.159 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 174.5 | -60.5 | 174.8 | 0 | 0 | 0 | 109.9 | L101 D102 D108 K109 L110 | L101-I106 HydrophobicContact CB-CD1 4.18Å; L101-I106 HydrophobicContact CB-CG1 4.3Å; D102-I106 PolarHBondContact O-N 3.28Å; I106-D108 VanDerWaalsContact C-N 3.31Å; I106-D108 PolarHBondContact O-N 3.47Å; I106-K109 PolarHBondContact O-N 2.67Å; I106-L110 HydrophobicContact CG2-CD1 4.06Å; I106-L110 HydrophobicContact CG2-CG 4.43Å; I106-L110 WeakPolarHBondContact O-CG 3.48Å; I106-L110 PolarHBondContact O-N 3.36Å |
| 107 | K | 79.1 | Confident | 68.5 | Low | 99 Ų | 99 | 97.2 Ų | 97.2 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 177.4 | -172.1 | 176.2 | -72.7 | 167 | 0 | 112.2 | D103 R104 L110 R111 I134 | D103-K107 VanDerWaalsContact O-CB 3.25Å; D103-K107 WeakPolarHBondContact O-CB 3.28Å; D103-K107 PolarHBondContact O-N 3.4Å; D103-K107 VanDerWaalsContact O-N 3.14Å; R104-K107 PolarHBondContact O-N 3.03Å; K107-L110 PolarHBondContact O-N 3.42Å; K107-R111 WeakPolarHBondContact O-CB 3.29Å; K107-R111 PolarHBondContact O-N 2.86Å; K107-I134 HydrophobicContact CG-CG2 4.25Å |
| 108 | D | 79.6 | Confident | 69.7 | Low | 62 Ų | 62 | 95 Ų | 95 | 33% | 0.332 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.9 | -39.6 | 176.8 | -77.8 | -21.7 | 0 | 0 | 0 | 113 | R104 A105 I106 R111 K112 | R104-D108 PolarHBondContact O-N 3.24Å; A105-D108 PolarHBondContact O-N 3.47Å; I106-D108 VanDerWaalsContact C-N 3.31Å; I106-D108 PolarHBondContact O-N 3.47Å; D108-R111 PolarHBondContact O-N 3.18Å; D108-R111 IonicContact OD1-CZ 2.67Å; D108-R111 IonicContact OD1-NH1 3.8Å; D108-R111 PolarHBondContact OD1-NH1 2.93Å; D108-K112 WeakPolarHBondContact O-CG 3.21Å; D108-K112 PolarHBondContact O-N 3.04Å |
| 109 | K | 78.4 | Confident | 71.2 | Confident | 108 Ų | 108 | 95.9 Ų | 95.9 | 47% | 0.47 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 171.3 | -72.6 | 175.1 | -176.4 | 178 | 0 | 110.9 | A105 I106 R111 K112 I113 | A105-K109 WeakPolarHBondContact O-CG 3.29Å; A105-K109 PolarHBondContact O-N 2.96Å; I106-K109 PolarHBondContact O-N 2.67Å; K109-R111 VanDerWaalsContact C-N 3.3Å; K109-R111 PolarHBondContact O-N 3.39Å; K109-K112 PolarHBondContact O-N 3.46Å; K109-I113 VanDerWaalsContact O-CG1 3.29Å; K109-I113 WeakPolarHBondContact O-CG1 3.46Å; K109-I113 PolarHBondContact O-N 2.82Å |
| 110 | L | 80.4 | Confident | 73 | Confident | 3 Ų | 3 | 86 Ų | 86 | 2% | 0.016 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 176.5 | -68.5 | 174 | 0 | 0 | 0 | 112 | L92 I106 K107 I113 L114 L120 I134 Y137 V138 | L92-L110 HydrophobicContact CD2-CD2 3.83Å; I106-L110 HydrophobicContact CG2-CD1 4.06Å; I106-L110 HydrophobicContact CG2-CG 4.43Å; I106-L110 WeakPolarHBondContact O-CG 3.48Å; I106-L110 PolarHBondContact O-N 3.36Å; K107-L110 PolarHBondContact O-N 3.42Å; L110-I113 PolarHBondContact O-N 3.29Å; L110-L114 VanDerWaalsContact O-CB 3.28Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 PolarHBondContact O-N 3.05Å; L110-L120 HydrophobicContact CB-CD1 4.39Å; L110-L120 HydrophobicContact CD2-CD1 4.33Å; L110-L120 HydrophobicContact CD2-CD2 4.03Å; L110-I134 HydrophobicContact CB-CG1 4.32Å; L110-I134 HydrophobicContact CB-CG2 3.92Å; L110-I134 HydrophobicContact CD1-CG2 3.86Å; L110-Y137 HydrophobicContact CD1-CD1 3.81Å; L110-Y137 HydrophobicContact CD1-CE1 4.15Å; L110-Y137 HydrophobicContact CD2-CD1 3.71Å; L110-Y137 HydrophobicContact CD2-CE1 3.55Å; L110-Y137 HydrophobicContact CG-CD1 4.43Å; L110-V138 HydrophobicContact CD1-CG2 3.96Å |
| 111 | R | 80.6 | Confident | 74.5 | Confident | 108 Ų | 108 | 86.4 Ų | 86.4 | 41% | 0.408 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 175.1 | -168.8 | -177.8 | -72.3 | 135.8 | -9.3 | 111.8 | K107 D108 K109 I113 L114 K115 I134 | K107-R111 WeakPolarHBondContact O-CB 3.29Å; K107-R111 PolarHBondContact O-N 2.86Å; D108-R111 PolarHBondContact O-N 3.18Å; D108-R111 IonicContact OD1-CZ 2.67Å; D108-R111 IonicContact OD1-NH1 3.8Å; D108-R111 PolarHBondContact OD1-NH1 2.93Å; K109-R111 VanDerWaalsContact C-N 3.3Å; K109-R111 PolarHBondContact O-N 3.39Å; R111-I113 VanDerWaalsContact C-N 3.34Å; R111-L114 PolarHBondContact O-N 3.29Å; R111-K115 WeakPolarHBondContact O-CB 3.44Å; R111-K115 VanDerWaalsContact O-CG 3.31Å; R111-K115 WeakPolarHBondContact O-CG 3.37Å; R111-K115 PolarHBondContact O-N 3.01Å; R111-I134 HydrophobicContact CB-CD1 3.67Å; R111-I134 HydrophobicContact CG-CD1 4.16Å |
| 112 | K | 79.7 | Confident | 76.1 | Confident | 157 Ų | 157 | 82.9 Ų | 82.9 | 68% | 0.683 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.6 | -42.5 | 175.5 | -72.1 | 174.3 | -176.1 | 179.6 | 0 | 111.3 | D108 K109 R116 | D108-K112 WeakPolarHBondContact O-CG 3.21Å; D108-K112 PolarHBondContact O-N 3.04Å; K109-K112 PolarHBondContact O-N 3.46Å; K112-R116 WeakPolarHBondContact O-CB 3.42Å; K112-R116 PolarHBondContact O-N 3.22Å; K112-R116 VanDerWaalsContact O-N 3.14Å |
| 113 | I | 76.4 | Confident | 76.7 | Confident | 42 Ų | 42 | 80.8 Ų | 80.8 | 22% | 0.215 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.7 | -45.5 | 178.4 | -63.3 | 169.6 | 0 | 0 | 0 | 110.7 | L92 K109 L110 R111 K115 R116 L117 L120 | L92-I113 HydrophobicContact CD2-CD1 3.55Å; K109-I113 VanDerWaalsContact O-CG1 3.29Å; K109-I113 WeakPolarHBondContact O-CG1 3.46Å; K109-I113 PolarHBondContact O-N 2.82Å; L110-I113 PolarHBondContact O-N 3.29Å; R111-I113 VanDerWaalsContact C-N 3.34Å; I113-K115 VanDerWaalsContact C-N 3.35Å; I113-K115 PolarHBondContact O-N 3.17Å; I113-R116 PolarHBondContact O-N 3.1Å; I113-R116 VanDerWaalsContact O-N 3.09Å; I113-L117 HydrophobicContact CG2-CD1 3.59Å; I113-L117 HydrophobicContact CG2-CG 4.22Å; I113-L117 WeakPolarHBondContact O-CB 3.17Å; I113-L117 PolarHBondContact O-N 2.82Å; I113-L120 HydrophobicContact CB-CD2 3.94Å; I113-L120 HydrophobicContact CG2-CD2 3.63Å |
| 114 | L | 82 | Confident | 76.7 | Confident | 35 Ų | 35 | 78.1 Ų | 78.1 | 18% | 0.183 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 177.4 | -176.3 | 64.3 | 0 | 0 | 0 | 111.9 | L110 R111 R116 G118 L120 T132 I134 | L110-L114 VanDerWaalsContact O-CB 3.28Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 PolarHBondContact O-N 3.05Å; R111-L114 PolarHBondContact O-N 3.29Å; L114-R116 VanDerWaalsContact C-N 3.28Å; L114-R116 PolarHBondContact O-N 3.49Å; L114-G118 VanDerWaalsContact O-CA 3.26Å; L114-G118 WeakPolarHBondContact O-CA 3.18Å; L114-G118 PolarHBondContact O-N 3.05Å; L114-L120 HydrophobicContact CB-CD1 4.38Å; L114-L120 HydrophobicContact CB-CD2 4.36Å; L114-L120 HydrophobicContact CB-CG 4.26Å; L114-L120 HydrophobicContact CD1-CG 4.2Å; L114-T132 WeakPolarHBondContact CD2-O 3.43Å; L114-I134 HydrophobicContact CD2-CG1 3.84Å |
| 115 | K | 78.6 | Confident | 76.4 | Confident | 174 Ų | 174 | 79.2 Ų | 79.2 | 76% | 0.757 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.8 | -34 | 173.6 | -78.1 | -179.3 | 177.8 | -173 | 0 | 112.8 | R111 I113 | R111-K115 WeakPolarHBondContact O-CB 3.44Å; R111-K115 VanDerWaalsContact O-CG 3.31Å; R111-K115 WeakPolarHBondContact O-CG 3.37Å; R111-K115 PolarHBondContact O-N 3.01Å; I113-K115 VanDerWaalsContact C-N 3.35Å; I113-K115 PolarHBondContact O-N 3.17Å |
| 116 | R | 69.1 | Low | 76 | Confident | 160 Ų | 160 | 81.4 Ų | 81.4 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -86.8 | -36.1 | -176.4 | -163.4 | 179.4 | -171.5 | 176.4 | 6.3 | 113.5 | M86 K112 I113 L114 | M86-R116 VanDerWaalsContact CE-NH2 3.25Å; K112-R116 WeakPolarHBondContact O-CB 3.42Å; K112-R116 PolarHBondContact O-N 3.22Å; K112-R116 VanDerWaalsContact O-N 3.14Å; I113-R116 PolarHBondContact O-N 3.1Å; I113-R116 VanDerWaalsContact O-N 3.09Å; L114-R116 VanDerWaalsContact C-N 3.28Å; L114-R116 PolarHBondContact O-N 3.49Å |
| 117 | L | 69.2 | Low | 76 | Confident | 57 Ų | 57 | 81.4 Ų | 81.4 | 30% | 0.298 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -107.7 | -16.8 | -172.3 | -58.3 | -178 | 0 | 0 | 0 | 114.1 | A87 I113 K119 | A87-L117 HydrophobicContact CB-CD2 3.57Å; A87-L117 WeakPolarHBondContact O-CD1 3.47Å; I113-L117 HydrophobicContact CG2-CD1 3.59Å; I113-L117 HydrophobicContact CG2-CG 4.22Å; I113-L117 WeakPolarHBondContact O-CB 3.17Å; I113-L117 PolarHBondContact O-N 2.82Å; L117-K119 PolarHBondContact O-N 3.21Å |
| 118 | G | 72.7 | Confident | 75.8 | Confident | 48 Ų | 48 | 83.6 Ų | 83.6 | 50% | 0.495 | 43% | 0.432 | S | S | . | . | S | Bend | trans | 70.9 | -13.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L114 | L114-G118 VanDerWaalsContact O-CA 3.26Å; L114-G118 WeakPolarHBondContact O-CA 3.18Å; L114-G118 PolarHBondContact O-N 3.05Å |
| 119 | K | 80.9 | Confident | 75.7 | Confident | 110 Ų | 110 | 82 Ų | 82 | 48% | 0.478 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -148.8 | 141.6 | 178.2 | 60.5 | -172.9 | 176.1 | -175.1 | 0 | 112.3 | L117 F131 | L117-K119 PolarHBondContact O-N 3.21Å; K119-F131 CarbonylContact C-O 3.57Å; K119-F131 WeakPolarHBondContact CA-O 3.34Å |
| 120 | L | 81.7 | Confident | 75.9 | Confident | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.005 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 124 | 175.5 | -64 | 169.1 | 0 | 0 | 0 | 109 | L110 I113 L114 A130 F131 I134 Y137 | L110-L120 HydrophobicContact CB-CD1 4.39Å; L110-L120 HydrophobicContact CD2-CD1 4.33Å; L110-L120 HydrophobicContact CD2-CD2 4.03Å; I113-L120 HydrophobicContact CB-CD2 3.94Å; I113-L120 HydrophobicContact CG2-CD2 3.63Å; L114-L120 HydrophobicContact CB-CD1 4.38Å; L114-L120 HydrophobicContact CB-CD2 4.36Å; L114-L120 HydrophobicContact CB-CG 4.26Å; L114-L120 HydrophobicContact CD1-CG 4.2Å; L120-A130 CarbonylContact O-C 3.04Å; L120-A130 VanDerWaalsContact O-CA 3.27Å; L120-A130 WeakPolarHBondContact O-CA 3.29Å; L120-F131 PolarHBondContact N-O 3.4Å; L120-F131 PolarHBondContact O-N 3.4Å; L120-I134 HydrophobicContact CD1-CG1 4.28Å; L120-Y137 HydrophobicContact CB-CD2 3.67Å; L120-Y137 HydrophobicContact CB-CE2 4.29Å; L120-Y137 HydrophobicContact CB-CG 3.9Å; L120-Y137 HydrophobicContact CD1-CD1 4.34Å; L120-Y137 HydrophobicContact CD1-CG 3.97Å |
| 121 | K | 80.9 | Confident | 76 | Confident | 79 Ų | 79 | 81.7 Ų | 81.7 | 34% | 0.343 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 146.6 | 178.8 | -65.9 | 176.7 | -179.5 | 171.4 | 0 | 110.4 | D88 L92 A129 A130 Y137 | D88-K121 IonicContact OD1-NZ 3.64Å; D88-K121 PolarHBondContact OD1-NZ 3.06Å; L92-K121 WeakPolarHBondContact CD1-O 3.47Å; K121-A129 WeakPolarHBondContact CA-O 3.28Å; K121-A130 HydrophobicContact CG-CB 4.31Å; K121-Y137 VanDerWaalsContact O-CE2 3.3Å; K121-Y137 WeakPolarHBondContact O-CE2 3.35Å |
| 122 | C | 81.3 | Confident | 76.1 | Confident | 15 Ų | 15 | 82.1 Ų | 82.1 | 10% | 0.101 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 142 | 173.7 | -166.8 | 0 | 0 | 0 | 0 | 111.7 | C127 A129 H140 | C122-C127 HydrophobicContact CB-CB 3.9Å; C122-C127 VanDerWaalsContact CB-SG 3.56Å; C122-A129 PolarHBondContact N-O 3.19Å; C122-A129 VanDerWaalsContact N-O 3.09Å; C122-H140 WeakPolarHBondContact CB-NE2 3.45Å; C122-H140 PolarHBondContact SG-NE2 2.88Å; C122-H140 VanDerWaalsContact SG-NE2 3.36Å |
| 123 | S | 71.6 | Confident | 76.2 | Confident | 62 Ų | 62 | 77.4 Ų | 77.4 | 43% | 0.434 | 44% | 0.438 | S | S | . | . | trans | -95.2 | -1.1 | 177.4 | -164.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 124 | K | 68.3 | Low | 76.5 | Confident | 68 Ų | 68 | 76.5 Ų | 76.5 | 30% | 0.296 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -79.3 | 136.6 | 179.8 | -70.2 | -165.4 | 173.5 | -165 | 0 | 111.1 | G126 C127 M141 C144 | K124-G126 PolarHBondContact O-N 3.32Å; K124-C127 PolarHBondContact O-N 2.81Å; K124-C127 VanDerWaalsContact O-N 3.11Å; K124-M141 HydrophobicContact CD-CE 4.02Å; K124-M141 HydrophobicContact CG-CE 3.97Å; K124-C144 HydrophobicContact CD-CB 4.36Å; K124-C144 WeakPolarHBondContact CD-O 3.44Å; K124-C144 WeakPolarHBondContact CE-O 3.47Å; K124-C144 PolarHBondContact NZ-O 3.12Å |
| 125 | E | 64.3 | Low | 76.3 | Confident | 203 Ų | 203 | 81.8 Ų | 81.8 | 95% | 0.949 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 127.1 | 176.1 | -63.9 | -163.9 | 154.9 | 0 | 0 | 110.3 | ||
| 126 | G | 65.9 | Low | 76.4 | Confident | 88 Ų | 88 | 74.7 Ų | 74.7 | 91% | 0.907 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | -5.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | K124 | K124-G126 PolarHBondContact O-N 3.32Š|
| 127 | C | 75.8 | Confident | 77 | Confident | 31 Ų | 31 | 67.5 Ų | 67.5 | 21% | 0.209 | 41% | 0.408 | C | S | . | . | trans | -102.7 | 120 | 177.4 | -172.5 | 0 | 0 | 0 | 0 | 113.1 | C122 K124 H140 C144 | C122-C127 HydrophobicContact CB-CB 3.9Å; C122-C127 VanDerWaalsContact CB-SG 3.56Å; K124-C127 PolarHBondContact O-N 2.81Å; K124-C127 VanDerWaalsContact O-N 3.11Å; C127-H140 PolarHBondContact SG-CE1 3.47Å; C127-H140 PolarHBondContact SG-NE2 3.06Å; C127-C144 VanDerWaalsContact SG-SG 3.69Å | ||
| 128 | T | 74.8 | Confident | 77.6 | Confident | 144 Ų | 144 | 67.3 Ų | 67.3 | 88% | 0.883 | 41% | 0.409 | S | S | * | . | trans | -101.2 | 8.9 | 177.9 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 129 | A | 77.4 | Confident | 77.8 | Confident | 30 Ų | 30 | 70.9 Ų | 70.9 | 25% | 0.248 | 41% | 0.408 | C | S | . | . | trans | -67.6 | 137.6 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | K121 C122 F131 | K121-A129 WeakPolarHBondContact CA-O 3.28Å; C122-A129 PolarHBondContact N-O 3.19Å; C122-A129 VanDerWaalsContact N-O 3.09Å; A129-F131 HydrophobicContact CB-CE2 3.56Å; A129-F131 HydrophobicContact CB-CZ 3.67Å | ||
| 130 | A | 82.4 | Confident | 77.7 | Confident | 56 Ų | 56 | 67.2 Ų | 67.2 | 46% | 0.463 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 137.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L120 K121 | L120-A130 CarbonylContact O-C 3.04Å; L120-A130 VanDerWaalsContact O-CA 3.27Å; L120-A130 WeakPolarHBondContact O-CA 3.29Å; K121-A130 HydrophobicContact CG-CB 4.31Å |
| 131 | F | 81.9 | Confident | 77.6 | Confident | 48 Ų | 48 | 68.8 Ų | 68.8 | 21% | 0.211 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 135.9 | -171.8 | -58.1 | -87 | 0 | 0 | 0 | 111.3 | K119 L120 A129 S133 Y137 H140 | K119-F131 CarbonylContact C-O 3.57Å; K119-F131 WeakPolarHBondContact CA-O 3.34Å; L120-F131 PolarHBondContact N-O 3.4Å; L120-F131 PolarHBondContact O-N 3.4Å; A129-F131 HydrophobicContact CB-CE2 3.56Å; A129-F131 HydrophobicContact CB-CZ 3.67Å; F131-S133 VanDerWaalsContact C-N 3.34Å; F131-Y137 AromaticContact CD2-CD2 3.92Å; F131-Y137 HydrophobicContact CD2-CD2 3.92Å; F131-H140 HydrophobicContact CD2-CB 4.4Å; F131-H140 HydrophobicContact CE1-CB 3.82Å; F131-H140 HydrophobicContact CE2-CB 3.55Å; F131-H140 AromaticContact CE2-CD2 3.38Å; F131-H140 WeakPolarHBondContact CE2-CD2 3.48Å; F131-H140 AromaticContact CE2-CG 3.31Å; F131-H140 AromaticContact CE2-ND1 3.89Å; F131-H140 AromaticContact CE2-NE2 3.98Å; F131-H140 HydrophobicContact CZ-CB 3.22Å; F131-H140 AromaticContact CZ-CD2 3.77Å; F131-H140 AromaticContact CZ-CG 3.17Å; F131-H140 AromaticContact CZ-ND1 3.46Å; F131-H140 WeakPolarHBondContact CZ-ND1 3.3Å |
| 132 | T | 83.3 | Confident | 77.2 | Confident | 116 Ų | 116 | 71.4 Ų | 71.4 | 71% | 0.712 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -91 | -0.5 | 172.9 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | L114 | L114-T132 WeakPolarHBondContact CD2-O 3.43Š|
| 133 | S | 81.6 | Confident | 76.7 | Confident | 58 Ų | 58 | 73 Ų | 73 | 41% | 0.406 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -127.3 | 135.6 | 179.4 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | F131 M135 G136 Y137 | F131-S133 VanDerWaalsContact C-N 3.34Å; S133-M135 VanDerWaalsContact C-N 3.25Å; S133-M135 PolarHBondContact O-N 3.16Å; S133-M135 PolarHBondContact OG-N 3.26Å; S133-G136 PolarHBondContact O-N 3.13Å; S133-Y137 PolarHBondContact O-N 3.08Å |
| 134 | I | 83.1 | Confident | 76.8 | Confident | 24 Ų | 24 | 70.8 Ų | 70.8 | 12% | 0.123 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 173.5 | -56.5 | 173.3 | 0 | 0 | 0 | 110 | K107 L110 R111 L114 L120 G136 Y137 V138 | K107-I134 HydrophobicContact CG-CG2 4.25Å; L110-I134 HydrophobicContact CB-CG1 4.32Å; L110-I134 HydrophobicContact CB-CG2 3.92Å; L110-I134 HydrophobicContact CD1-CG2 3.86Å; R111-I134 HydrophobicContact CB-CD1 3.67Å; R111-I134 HydrophobicContact CG-CD1 4.16Å; L114-I134 HydrophobicContact CD2-CG1 3.84Å; L120-I134 HydrophobicContact CD1-CG1 4.28Å; I134-G136 VanDerWaalsContact C-N 3.33Å; I134-G136 PolarHBondContact O-N 2.94Å; I134-Y137 PolarHBondContact O-N 3Å; I134-V138 HydrophobicContact CG2-CG2 4.24Å; I134-V138 VanDerWaalsContact O-CG2 3.29Å; I134-V138 WeakPolarHBondContact O-CG2 3.26Å; I134-V138 PolarHBondContact O-N 3.16Å |
| 135 | M | 78.7 | Confident | 76.6 | Confident | 146 Ų | 146 | 70.9 Ų | 70.9 | 72% | 0.719 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.3 | -42.1 | -179.6 | -153.8 | 90.3 | 77.8 | 0 | 0 | 111.2 | S133 V138 Y139 | S133-M135 VanDerWaalsContact C-N 3.25Å; S133-M135 PolarHBondContact O-N 3.16Å; S133-M135 PolarHBondContact OG-N 3.26Å; M135-V138 PolarHBondContact O-N 2.82Å; M135-Y139 WeakPolarHBondContact O-CB 3.34Å; M135-Y139 PolarHBondContact O-N 2.96Å |
| 136 | G | 79.3 | Confident | 76.6 | Confident | 24 Ų | 24 | 66 Ų | 66 | 25% | 0.247 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S133 I134 H140 | S133-G136 PolarHBondContact O-N 3.13Å; I134-G136 VanDerWaalsContact C-N 3.33Å; I134-G136 PolarHBondContact O-N 2.94Å; G136-H140 VanDerWaalsContact O-CB 3.28Å; G136-H140 WeakPolarHBondContact O-CB 3.31Å; G136-H140 PolarHBondContact O-N 2.96Å |
| 137 | Y | 82.1 | Confident | 76.1 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 4% | 0.035 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 175.1 | -179.6 | -99.1 | 0 | 0 | 0 | 112.5 | L92 L110 L120 K121 F131 S133 I134 H140 M141 | L92-Y137 HydrophobicContact CD1-CE2 4.29Å; L92-Y137 WeakPolarHBondContact CD1-OH 3.35Å; L110-Y137 HydrophobicContact CD1-CD1 3.81Å; L110-Y137 HydrophobicContact CD1-CE1 4.15Å; L110-Y137 HydrophobicContact CD2-CD1 3.71Å; L110-Y137 HydrophobicContact CD2-CE1 3.55Å; L110-Y137 HydrophobicContact CG-CD1 4.43Å; L120-Y137 HydrophobicContact CB-CD2 3.67Å; L120-Y137 HydrophobicContact CB-CE2 4.29Å; L120-Y137 HydrophobicContact CB-CG 3.9Å; L120-Y137 HydrophobicContact CD1-CD1 4.34Å; L120-Y137 HydrophobicContact CD1-CG 3.97Å; K121-Y137 VanDerWaalsContact O-CE2 3.3Å; K121-Y137 WeakPolarHBondContact O-CE2 3.35Å; F131-Y137 AromaticContact CD2-CD2 3.92Å; F131-Y137 HydrophobicContact CD2-CD2 3.92Å; S133-Y137 PolarHBondContact O-N 3.08Å; I134-Y137 PolarHBondContact O-N 3Å; Y137-H140 PolarHBondContact O-N 3.2Å; Y137-M141 HydrophobicContact CD1-CG 4.07Å; Y137-M141 HydrophobicContact CD2-CG 4.46Å; Y137-M141 HydrophobicContact CE1-CG 3.62Å; Y137-M141 HydrophobicContact CE1-SD 4.15Å; Y137-M141 HydrophobicContact CE2-CG 4.05Å; Y137-M141 HydrophobicContact CE2-SD 4.25Å; Y137-M141 HydrophobicContact CG-CG 4.47Å; Y137-M141 WeakPolarHBondContact O-CB 3.5Å; Y137-M141 VanDerWaalsContact O-CG 3.24Å; Y137-M141 WeakPolarHBondContact O-CG 3.42Å; Y137-M141 PolarHBondContact O-N 3.38Å; Y137-M141 PolarHBondContact OH-SD 3.42Å |
| 138 | V | 80.8 | Confident | 75.1 | Confident | 54 Ų | 54 | 74.9 Ų | 74.9 | 33% | 0.327 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | L110 I134 M135 M141 K142 | L110-V138 HydrophobicContact CD1-CG2 3.96Å; I134-V138 HydrophobicContact CG2-CG2 4.24Å; I134-V138 VanDerWaalsContact O-CG2 3.29Å; I134-V138 WeakPolarHBondContact O-CG2 3.26Å; I134-V138 PolarHBondContact O-N 3.16Å; M135-V138 PolarHBondContact O-N 2.82Å; V138-M141 PolarHBondContact O-N 2.82Å; V138-K142 WeakPolarHBondContact O-CG 3.29Å; V138-K142 PolarHBondContact O-N 2.97Å; V138-K142 VanDerWaalsContact O-N 3.11Å |
| 139 | Y | 77 | Confident | 74 | Confident | 122 Ų | 122 | 70.2 Ų | 70.2 | 48% | 0.478 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 175.6 | 177.3 | -100.3 | 0 | 0 | 0 | 111.7 | M135 M141 K142 K143 | M135-Y139 WeakPolarHBondContact O-CB 3.34Å; M135-Y139 PolarHBondContact O-N 2.96Å; Y139-M141 VanDerWaalsContact C-N 3.34Å; Y139-M141 PolarHBondContact O-N 3.21Å; Y139-K142 PolarHBondContact O-N 3.13Å; Y139-K143 HydrophobicContact CE1-CD 4.11Å; Y139-K143 HydrophobicContact CE2-CD 4.1Å; Y139-K143 PolarHBondContact O-N 3.46Å; Y139-K143 WeakPolarHBondContact OH-CE 3.27Å; Y139-K143 PolarHBondContact OH-NZ 3.03Å |
| 140 | H | 80.3 | Confident | 73.2 | Confident | 33 Ų | 33 | 72.9 Ų | 72.9 | 15% | 0.153 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 174.1 | 171.9 | 75.9 | 0 | 0 | 0 | 111.4 | C122 C127 F131 G136 Y137 K142 K143 C144 | C122-H140 WeakPolarHBondContact CB-NE2 3.45Å; C122-H140 PolarHBondContact SG-NE2 2.88Å; C122-H140 VanDerWaalsContact SG-NE2 3.36Å; C127-H140 PolarHBondContact SG-CE1 3.47Å; C127-H140 PolarHBondContact SG-NE2 3.06Å; F131-H140 HydrophobicContact CD2-CB 4.4Å; F131-H140 HydrophobicContact CE1-CB 3.82Å; F131-H140 HydrophobicContact CE2-CB 3.55Å; F131-H140 AromaticContact CE2-CD2 3.38Å; F131-H140 WeakPolarHBondContact CE2-CD2 3.48Å; F131-H140 AromaticContact CE2-CG 3.31Å; F131-H140 AromaticContact CE2-ND1 3.89Å; F131-H140 AromaticContact CE2-NE2 3.98Å; F131-H140 HydrophobicContact CZ-CB 3.22Å; F131-H140 AromaticContact CZ-CD2 3.77Å; F131-H140 AromaticContact CZ-CG 3.17Å; F131-H140 AromaticContact CZ-ND1 3.46Å; F131-H140 WeakPolarHBondContact CZ-ND1 3.3Å; G136-H140 VanDerWaalsContact O-CB 3.28Å; G136-H140 WeakPolarHBondContact O-CB 3.31Å; G136-H140 PolarHBondContact O-N 2.96Å; Y137-H140 PolarHBondContact O-N 3.2Å; H140-K142 VanDerWaalsContact C-N 3.27Å; H140-K142 PolarHBondContact O-N 2.74Å; H140-K143 CarbonylContact O-C 3.52Å; H140-K143 PolarHBondContact O-N 2.72Å; H140-C144 PolarHBondContact NE2-SG 2.81Å; H140-C144 VanDerWaalsContact NE2-SG 3.42Å; H140-C144 WeakPolarHBondContact O-CA 3.33Å; H140-C144 WeakPolarHBondContact O-CB 3.49Å; H140-C144 PolarHBondContact O-N 3.32Å |
| 141 | M | 78.1 | Confident | 72 | Confident | 35 Ų | 35 | 72.9 Ų | 72.9 | 17% | 0.172 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.7 | -32.7 | -179.4 | -74.4 | -87.9 | 42.3 | 0 | 0 | 113.6 | K124 Y137 V138 Y139 K143 C144 | K124-M141 HydrophobicContact CD-CE 4.02Å; K124-M141 HydrophobicContact CG-CE 3.97Å; Y137-M141 HydrophobicContact CD1-CG 4.07Å; Y137-M141 HydrophobicContact CD2-CG 4.46Å; Y137-M141 HydrophobicContact CE1-CG 3.62Å; Y137-M141 HydrophobicContact CE1-SD 4.15Å; Y137-M141 HydrophobicContact CE2-CG 4.05Å; Y137-M141 HydrophobicContact CE2-SD 4.25Å; Y137-M141 HydrophobicContact CG-CG 4.47Å; Y137-M141 WeakPolarHBondContact O-CB 3.5Å; Y137-M141 VanDerWaalsContact O-CG 3.24Å; Y137-M141 WeakPolarHBondContact O-CG 3.42Å; Y137-M141 PolarHBondContact O-N 3.38Å; Y137-M141 PolarHBondContact OH-SD 3.42Å; V138-M141 PolarHBondContact O-N 2.82Å; Y139-M141 VanDerWaalsContact C-N 3.34Å; Y139-M141 PolarHBondContact O-N 3.21Å; M141-K143 VanDerWaalsContact C-N 3.27Å; M141-K143 PolarHBondContact O-N 2.99Å; M141-C144 HydrophobicContact CE-CB 4.27Å |
| 142 | K | 74.2 | Confident | 70.8 | Confident | 133 Ų | 133 | 77.1 Ų | 77.1 | 58% | 0.578 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -68.8 | -22.8 | 175.5 | -73.3 | -178.5 | 179.7 | -172.9 | 0 | 113.9 | V138 Y139 H140 K146 | V138-K142 WeakPolarHBondContact O-CG 3.29Å; V138-K142 PolarHBondContact O-N 2.97Å; V138-K142 VanDerWaalsContact O-N 3.11Å; Y139-K142 PolarHBondContact O-N 3.13Å; H140-K142 VanDerWaalsContact C-N 3.27Å; H140-K142 PolarHBondContact O-N 2.74Å; K142-K146 WeakPolarHBondContact O-CD 3.38Å; K142-K146 WeakPolarHBondContact O-CE 3.46Å; K142-K146 PolarHBondContact O-NZ 3.21Å |
| 143 | K | 70.2 | Confident | 69.7 | Low | 49 Ų | 49 | 78.9 Ų | 78.9 | 21% | 0.213 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -113 | -19.3 | -176.9 | -64.4 | -168.7 | 175 | -164.6 | 0 | 113.9 | Y139 H140 M141 G145 K146 L151 K166 | Y139-K143 HydrophobicContact CE1-CD 4.11Å; Y139-K143 HydrophobicContact CE2-CD 4.1Å; Y139-K143 PolarHBondContact O-N 3.46Å; Y139-K143 WeakPolarHBondContact OH-CE 3.27Å; Y139-K143 PolarHBondContact OH-NZ 3.03Å; H140-K143 CarbonylContact O-C 3.52Å; H140-K143 PolarHBondContact O-N 2.72Å; M141-K143 VanDerWaalsContact C-N 3.27Å; M141-K143 PolarHBondContact O-N 2.99Å; K143-G145 PolarHBondContact O-N 3.36Å; K143-K146 PolarHBondContact O-N 3.26Å; K143-L151 HydrophobicContact CB-CD1 4.01Å; K143-L151 HydrophobicContact CD-CD1 4.19Å; K143-L151 HydrophobicContact CG-CD1 4.07Å; K143-K166 PolarHBondContact NZ-O 3.07Å; K143-K166 VanDerWaalsContact NZ-O 3.12Å |
| 144 | C | 73.2 | Confident | 68.9 | Low | 16 Ų | 16 | 80.3 Ų | 80.3 | 11% | 0.108 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 125.3 | -177.8 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | K124 C127 H140 M141 | K124-C144 HydrophobicContact CD-CB 4.36Å; K124-C144 WeakPolarHBondContact CD-O 3.44Å; K124-C144 WeakPolarHBondContact CE-O 3.47Å; K124-C144 PolarHBondContact NZ-O 3.12Å; C127-C144 VanDerWaalsContact SG-SG 3.69Å; H140-C144 PolarHBondContact NE2-SG 2.81Å; H140-C144 VanDerWaalsContact NE2-SG 3.42Å; H140-C144 WeakPolarHBondContact O-CA 3.33Å; H140-C144 WeakPolarHBondContact O-CB 3.49Å; H140-C144 PolarHBondContact O-N 3.32Å; M141-C144 HydrophobicContact CE-CB 4.27Å |
| 145 | G | 64.8 | Low | 68.4 | Low | 70 Ų | 70 | 81 Ų | 81 | 72% | 0.722 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 19.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K143 | K143-G145 PolarHBondContact O-N 3.36Š|
| 146 | K | 65.1 | Low | 68.3 | Low | 100 Ų | 100 | 77.6 Ų | 77.6 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | trans | -99.8 | 136.7 | 166.9 | -67.8 | -175.7 | 177.8 | 175.3 | 0 | 108.9 | K142 K143 E150 L154 | K142-K146 WeakPolarHBondContact O-CD 3.38Å; K142-K146 WeakPolarHBondContact O-CE 3.46Å; K142-K146 PolarHBondContact O-NZ 3.21Å; K143-K146 PolarHBondContact O-N 3.26Å; K146-E150 HydrophobicContact CB-CB 4.31Å; K146-L154 HydrophobicContact CD-CD1 4.14Å | ||
| 147 | E | 55.2 | Low | 68.4 | Low | 138 Ų | 138 | 81 Ų | 81 | 65% | 0.645 | 41% | 0.407 | S | S | * | . | trans | -65.3 | 158.5 | 176.5 | -147.2 | -141.1 | 152.7 | 0 | 0 | 110.8 | S149 E150 L151 | E147-S149 PolarHBondContact O-N 2.87Å; E147-S149 PolarHBondContact OE2-OG 2.8Å; E147-E150 PolarHBondContact O-N 3.38Å; E147-L151 PolarHBondContact O-N 3.2Å | ||
| 148 | E | 53.6 | Low | 68.4 | Low | 167 Ų | 167 | 80.8 Ų | 80.8 | 78% | 0.78 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59 | -32.8 | -177.2 | -166.9 | 151.5 | -149.2 | 0 | 0 | 111.9 | L151 E152 | E148-L151 WeakPolarHBondContact O-CB 3.25Å; E148-L151 PolarHBondContact O-N 3.18Å; E148-E152 PolarHBondContact O-N 3.43Å |
| 149 | S | 52 | Low | 68.5 | Low | 46 Ų | 46 | 84 Ų | 84 | 32% | 0.322 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 174.1 | 68.4 | 0 | 0 | 0 | 0 | 113.9 | E147 K153 | E147-S149 PolarHBondContact O-N 2.87Å; E147-S149 PolarHBondContact OE2-OG 2.8Å; S149-K153 WeakPolarHBondContact O-CG 3.37Å; S149-K153 PolarHBondContact O-N 3.07Å |
| 150 | E | 61.1 | Low | 68.4 | Low | 87 Ų | 87 | 84.7 Ų | 84.7 | 41% | 0.407 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -79.3 | -24.2 | 176.9 | -69.4 | -65.7 | 120.3 | 0 | 0 | 111.9 | K146 E147 K153 L154 | K146-E150 HydrophobicContact CB-CB 4.31Å; E147-E150 PolarHBondContact O-N 3.38Å; E150-K153 IonicContact OE1-NZ 3.62Å; E150-K153 PolarHBondContact OE1-NZ 2.95Å; E150-L154 WeakPolarHBondContact O-CG 3.36Å |
| 151 | L | 56.8 | Low | 68.4 | Low | 56 Ų | 56 | 85.7 Ų | 85.7 | 29% | 0.293 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -73.8 | -33.9 | 172.9 | -149.3 | 91.8 | 0 | 0 | 0 | 111.8 | K143 E147 E148 L154 | K143-L151 HydrophobicContact CB-CD1 4.01Å; K143-L151 HydrophobicContact CD-CD1 4.19Å; K143-L151 HydrophobicContact CG-CD1 4.07Å; E147-L151 PolarHBondContact O-N 3.2Å; E148-L151 WeakPolarHBondContact O-CB 3.25Å; E148-L151 PolarHBondContact O-N 3.18Å; L151-L154 PolarHBondContact O-N 3.24Å |
| 152 | E | 57.2 | Low | 68.3 | Low | 136 Ų | 136 | 86.2 Ų | 86.2 | 64% | 0.636 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -69.9 | -38.3 | 176.4 | -163.9 | 166.6 | -152.7 | 0 | 0 | 111.8 | E148 L154 L155 | E148-E152 PolarHBondContact O-N 3.43Å; E152-L154 PolarHBondContact O-N 3.29Å; E152-L155 HydrophobicContact CG-CD1 3.97Å; E152-L155 VanDerWaalsContact O-CB 3.26Å; E152-L155 WeakPolarHBondContact O-CB 3.42Å; E152-L155 VanDerWaalsContact O-CG 3.29Å; E152-L155 WeakPolarHBondContact O-CG 3.25Å; E152-L155 PolarHBondContact O-N 2.8Å |
| 153 | K | 59.4 | Low | 68.6 | Low | 153 Ų | 153 | 85.2 Ų | 85.2 | 67% | 0.665 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.2 | 172.2 | -68.9 | 175.1 | -169.7 | 169.9 | 0 | 114.5 | S149 E150 L155 | S149-K153 WeakPolarHBondContact O-CG 3.37Å; S149-K153 PolarHBondContact O-N 3.07Å; E150-K153 IonicContact OE1-NZ 3.62Å; E150-K153 PolarHBondContact OE1-NZ 2.95Å; K153-L155 VanDerWaalsContact C-N 3.33Å |
| 154 | L | 64.7 | Low | 69 | Low | 88 Ų | 88 | 85.5 Ų | 85.5 | 46% | 0.461 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 0.5 | 176 | -68.5 | 171.2 | 0 | 0 | 0 | 112.9 | K146 E150 L151 E152 | K146-L154 HydrophobicContact CD-CD1 4.14Å; E150-L154 WeakPolarHBondContact O-CG 3.36Å; L151-L154 PolarHBondContact O-N 3.24Å; E152-L154 PolarHBondContact O-N 3.29Å |
| 155 | L | 72.5 | Confident | 69.4 | Low | 40 Ų | 40 | 87 Ų | 87 | 21% | 0.209 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 133.1 | 171.4 | -61.1 | 175.9 | 0 | 0 | 0 | 109.3 | E152 K153 A164 Y165 K166 | E152-L155 HydrophobicContact CG-CD1 3.97Å; E152-L155 VanDerWaalsContact O-CB 3.26Å; E152-L155 WeakPolarHBondContact O-CB 3.42Å; E152-L155 VanDerWaalsContact O-CG 3.29Å; E152-L155 WeakPolarHBondContact O-CG 3.25Å; E152-L155 PolarHBondContact O-N 2.8Å; K153-L155 VanDerWaalsContact C-N 3.33Å; L155-A164 HydrophobicContact CB-CB 4.06Å; L155-A164 HydrophobicContact CD1-CB 3.93Å; L155-Y165 CarbonylContact C-O 3.59Å; L155-Y165 WeakPolarHBondContact CA-O 3.45Å; L155-K166 HydrophobicContact CD2-CB 4.23Å; L155-K166 HydrophobicContact CD2-CG 3.52Å |
| 156 | L | 76 | Confident | 69.8 | Low | 74 Ų | 74 | 90.9 Ų | 90.9 | 39% | 0.387 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 118.6 | 174 | -60 | 172.9 | 0 | 0 | 0 | 107.8 | Y165 K168 L171 | L156-Y165 PolarHBondContact N-O 3.04Å; L156-Y165 PolarHBondContact O-N 3.06Å; L156-K168 HydrophobicContact CD1-CB 3.81Å; L156-K168 HydrophobicContact CD1-CG 4.37Å; L156-L171 HydrophobicContact CB-CD2 3.73Å |
| 157 | N | 82.4 | Confident | 70.2 | Confident | 96 Ų | 96 | 88.6 Ų | 88.6 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 140.5 | 178 | -62.2 | 77.8 | 0 | 0 | 0 | 110.6 | S159 G162 K163 | N157-S159 PolarHBondContact O-N 3.35Å; N157-G162 PolarHBondContact ND2-O 3.25Å; N157-G162 VanDerWaalsContact ND2-O 3.09Å; N157-K163 CarbonylContact C-O 3.46Å; N157-K163 WeakPolarHBondContact CA-O 3.44Å |
| 158 | C | 82.9 | Confident | 71.3 | Confident | 3 Ų | 3 | 88.9 Ų | 88.9 | 2% | 0.02 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 123.8 | 169.7 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | H160 C161 G162 K163 Y165 L171 H174 H179 | C158-H160 PolarHBondContact O-N 3.02Å; C158-H160 PolarHBondContact SG-N 2.72Å; C158-C161 PolarHBondContact O-N 3.44Å; C158-C161 VanDerWaalsContact SG-SG 3.66Å; C158-G162 VanDerWaalsContact O-CA 3.25Å; C158-G162 WeakPolarHBondContact O-CA 3.44Å; C158-G162 PolarHBondContact O-N 3.48Å; C158-K163 PolarHBondContact N-O 3.47Å; C158-Y165 HydrophobicContact CB-CE2 4.19Å; C158-L171 HydrophobicContact CB-CD1 3.65Å; C158-H174 VanDerWaalsContact SG-CD2 3.59Å; C158-H174 PolarHBondContact SG-NE2 3.39Å; C158-H179 VanDerWaalsContact SG-CD2 3.55Å |
| 159 | S | 81.2 | Confident | 72.5 | Confident | 121 Ų | 121 | 84 Ų | 84 | 85% | 0.846 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.9 | 178.7 | -48.3 | 0 | 0 | 0 | 0 | 113.9 | N157 | N157-S159 PolarHBondContact O-N 3.35Š|
| 160 | H | 75.6 | Confident | 73.8 | Confident | 137 Ų | 137 | 83 Ų | 83 | 63% | 0.634 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -24.4 | -177.5 | -63.7 | -68.9 | 0 | 0 | 0 | 114.1 | C158 H179 | C158-H160 PolarHBondContact O-N 3.02Å; C158-H160 PolarHBondContact SG-N 2.72Å; H160-H179 VanDerWaalsContact CB-CE1 3.42Å; H160-H179 WeakPolarHBondContact CB-CE1 3.32Å; H160-H179 AromaticContact CD2-CG 4Å |
| 161 | C | 80.6 | Confident | 74.8 | Confident | 54 Ų | 54 | 80 Ų | 80 | 37% | 0.365 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.7 | 4.5 | -176.6 | 69.4 | 0 | 0 | 0 | 0 | 114.9 | C158 K163 H174 H179 | C158-C161 PolarHBondContact O-N 3.44Å; C158-C161 VanDerWaalsContact SG-SG 3.66Å; C161-K163 PolarHBondContact O-N 3.49Å; C161-H174 VanDerWaalsContact SG-CE1 3.55Å; C161-H174 PolarHBondContact SG-NE2 3.34Å; C161-H179 PolarHBondContact SG-NE2 3.28Å |
| 162 | G | 76.5 | Confident | 76 | Confident | 46 Ų | 46 | 82.4 Ų | 82.4 | 47% | 0.474 | 45% | 0.448 | S | S | . | . | trans | 71.3 | -7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | N157 C158 A164 | N157-G162 PolarHBondContact ND2-O 3.25Å; N157-G162 VanDerWaalsContact ND2-O 3.09Å; C158-G162 VanDerWaalsContact O-CA 3.25Å; C158-G162 WeakPolarHBondContact O-CA 3.44Å; C158-G162 PolarHBondContact O-N 3.48Å; G162-A164 PolarHBondContact O-N 3.41Å | ||
| 163 | K | 79.4 | Confident | 77.2 | Confident | 112 Ų | 112 | 84.1 Ų | 84.1 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | trans | -58 | 130.4 | -177.8 | -71.2 | 178.3 | -173.3 | 174.4 | 0 | 111.1 | N157 C158 C161 Y165 | N157-K163 CarbonylContact C-O 3.46Å; N157-K163 WeakPolarHBondContact CA-O 3.44Å; C158-K163 PolarHBondContact N-O 3.47Å; C161-K163 PolarHBondContact O-N 3.49Å; K163-Y165 HydrophobicContact CB-CE2 3.55Å; K163-Y165 WeakPolarHBondContact O-CD2 3.46Å; K163-Y165 VanDerWaalsContact O-CE2 3.23Å; K163-Y165 WeakPolarHBondContact O-CE2 3.34Å | ||
| 164 | A | 79.8 | Confident | 78.4 | Confident | 55 Ų | 55 | 77.1 Ų | 77.1 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 129.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L155 G162 | L155-A164 HydrophobicContact CB-CB 4.06Å; L155-A164 HydrophobicContact CD1-CB 3.93Å; G162-A164 PolarHBondContact O-N 3.41Å |
| 165 | Y | 80.1 | Confident | 79.3 | Confident | 49 Ų | 49 | 75.7 Ų | 75.7 | 19% | 0.192 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138.4 | -176.5 | -67.8 | -88.4 | 0 | 0 | 0 | 112.2 | L155 L156 C158 K163 S167 L171 H174 | L155-Y165 CarbonylContact C-O 3.59Å; L155-Y165 WeakPolarHBondContact CA-O 3.45Å; L156-Y165 PolarHBondContact N-O 3.04Å; L156-Y165 PolarHBondContact O-N 3.06Å; C158-Y165 HydrophobicContact CB-CE2 4.19Å; K163-Y165 HydrophobicContact CB-CE2 3.55Å; K163-Y165 WeakPolarHBondContact O-CD2 3.46Å; K163-Y165 VanDerWaalsContact O-CE2 3.23Å; K163-Y165 WeakPolarHBondContact O-CE2 3.34Å; Y165-S167 VanDerWaalsContact C-N 3.26Å; Y165-S167 PolarHBondContact O-N 3.32Å; Y165-L171 HydrophobicContact CD2-CB 4.15Å; Y165-L171 HydrophobicContact CD2-CD1 3.63Å; Y165-L171 HydrophobicContact CD2-CG 4.47Å; Y165-L171 HydrophobicContact CE2-CD1 3.99Å; Y165-L171 HydrophobicContact CG-CB 4.11Å; Y165-L171 HydrophobicContact CG-CD1 4.43Å; Y165-H174 HydrophobicContact CE1-CB 3.73Å; Y165-H174 HydrophobicContact CE2-CB 4.05Å; Y165-H174 AromaticContact CE2-CD2 3.37Å; Y165-H174 WeakPolarHBondContact CE2-CD2 3.4Å; Y165-H174 AromaticContact CE2-CG 3.72Å; Y165-H174 VanDerWaalsContact CZ-CB 3.46Å; Y165-H174 AromaticContact CZ-CD2 3.47Å; Y165-H174 VanDerWaalsContact CZ-CD2 3.47Å; Y165-H174 AromaticContact CZ-CG 3.29Å; Y165-H174 AromaticContact CZ-ND1 3.9Å; Y165-H174 WeakPolarHBondContact OH-CB 3.36Å; Y165-H174 PolarHBondContact OH-CD2 2.88Å; Y165-H174 VanDerWaalsContact OH-CD2 3.24Å; Y165-H174 PolarHBondContact OH-CE1 3.39Å; Y165-H174 PolarHBondContact OH-ND1 2.86Å |
| 166 | K | 73.2 | Confident | 79.7 | Confident | 150 Ų | 150 | 81.9 Ų | 81.9 | 65% | 0.652 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -76.8 | -6 | -178.2 | -66.9 | 177.6 | -179.1 | -177.5 | 0 | 114.6 | K143 L155 | K143-K166 PolarHBondContact NZ-O 3.07Å; K143-K166 VanDerWaalsContact NZ-O 3.12Å; L155-K166 HydrophobicContact CD2-CB 4.23Å; L155-K166 HydrophobicContact CD2-CG 3.52Å |
| 167 | S | 74.1 | Confident | 80 | Confident | 52 Ų | 52 | 80.9 Ų | 80.9 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -155.9 | 149.9 | -178.1 | 68.7 | 0 | 0 | 0 | 0 | 112.2 | Y165 A169 G170 L171 | Y165-S167 VanDerWaalsContact C-N 3.26Å; Y165-S167 PolarHBondContact O-N 3.32Å; S167-A169 VanDerWaalsContact C-N 3.33Å; S167-A169 PolarHBondContact O-N 2.91Å; S167-G170 PolarHBondContact O-N 2.93Å; S167-G170 VanDerWaalsContact O-N 3.16Å; S167-G170 PolarHBondContact OG-N 3.42Å; S167-L171 PolarHBondContact O-N 3.24Å; S167-L171 VanDerWaalsContact O-N 3.13Å |
| 168 | K | 77.4 | Confident | 79.7 | Confident | 144 Ų | 144 | 82.1 Ų | 82.1 | 63% | 0.626 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -59.4 | -41.2 | 176 | -172.3 | 175.2 | 179.2 | 177.5 | 0 | 112.5 | L156 G170 L171 E172 | L156-K168 HydrophobicContact CD1-CB 3.81Å; L156-K168 HydrophobicContact CD1-CG 4.37Å; K168-G170 VanDerWaalsContact C-N 3.31Å; K168-G170 PolarHBondContact O-N 3.49Å; K168-L171 PolarHBondContact O-N 3.48Å; K168-E172 VanDerWaalsContact CE-OE1 3.25Å; K168-E172 WeakPolarHBondContact CE-OE1 3.36Å; K168-E172 WeakPolarHBondContact O-CG 3.22Å; K168-E172 PolarHBondContact O-N 2.91Å |
| 169 | A | 79.6 | Confident | 79.4 | Confident | 66 Ų | 66 | 84.8 Ų | 84.8 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64 | -34.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | S167 Y173 | S167-A169 VanDerWaalsContact C-N 3.33Å; S167-A169 PolarHBondContact O-N 2.91Å; A169-Y173 WeakPolarHBondContact O-CB 3.37Å; A169-Y173 PolarHBondContact O-N 3.17Å |
| 170 | G | 80.3 | Confident | 78.9 | Confident | 24 Ų | 24 | 81.8 Ų | 81.8 | 25% | 0.247 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S167 K168 H174 | S167-G170 PolarHBondContact O-N 2.93Å; S167-G170 VanDerWaalsContact O-N 3.16Å; S167-G170 PolarHBondContact OG-N 3.42Å; K168-G170 VanDerWaalsContact C-N 3.31Å; K168-G170 PolarHBondContact O-N 3.49Å; G170-H174 WeakPolarHBondContact O-CB 3.43Å; G170-H174 PolarHBondContact O-N 2.91Å |
| 171 | L | 82.1 | Confident | 78.2 | Confident | 25 Ų | 25 | 80.8 Ų | 80.8 | 13% | 0.131 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66 | -45.3 | 173.9 | 177.5 | 59.6 | 0 | 0 | 0 | 111.7 | L156 C158 Y165 S167 K168 Y173 H174 L175 | L156-L171 HydrophobicContact CB-CD2 3.73Å; C158-L171 HydrophobicContact CB-CD1 3.65Å; Y165-L171 HydrophobicContact CD2-CB 4.15Å; Y165-L171 HydrophobicContact CD2-CD1 3.63Å; Y165-L171 HydrophobicContact CD2-CG 4.47Å; Y165-L171 HydrophobicContact CE2-CD1 3.99Å; Y165-L171 HydrophobicContact CG-CB 4.11Å; Y165-L171 HydrophobicContact CG-CD1 4.43Å; S167-L171 PolarHBondContact O-N 3.24Å; S167-L171 VanDerWaalsContact O-N 3.13Å; K168-L171 PolarHBondContact O-N 3.48Å; L171-Y173 VanDerWaalsContact C-N 3.33Å; L171-Y173 PolarHBondContact O-N 3.45Å; L171-H174 WeakPolarHBondContact O-CB 3.37Å; L171-H174 PolarHBondContact O-N 3.26Å; L171-L175 HydrophobicContact CD1-CD1 4.31Å; L171-L175 HydrophobicContact CD1-CG 4.14Å; L171-L175 HydrophobicContact CG-CD1 4.07Å; L171-L175 HydrophobicContact CG-CG 4.36Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.11Å |
| 172 | E | 80.1 | Confident | 76.3 | Confident | 106 Ų | 106 | 84.4 Ų | 84.4 | 50% | 0.495 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 177 | -77.7 | 175.2 | -172 | 0 | 0 | 112.4 | K168 L175 K176 | K168-E172 VanDerWaalsContact CE-OE1 3.25Å; K168-E172 WeakPolarHBondContact CE-OE1 3.36Å; K168-E172 WeakPolarHBondContact O-CG 3.22Å; K168-E172 PolarHBondContact O-N 2.91Å; E172-L175 PolarHBondContact O-N 3.33Å; E172-K176 VanDerWaalsContact O-CB 3.27Å; E172-K176 WeakPolarHBondContact O-CB 3.4Å; E172-K176 PolarHBondContact O-N 3.26Å |
| 173 | Y | 83.6 | Confident | 74.8 | Confident | 171 Ų | 171 | 88.1 Ų | 88.1 | 67% | 0.671 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.5 | -44.9 | 174.1 | 179.2 | -100.5 | 0 | 0 | 0 | 111.4 | A169 L171 K176 S177 | A169-Y173 WeakPolarHBondContact O-CB 3.37Å; A169-Y173 PolarHBondContact O-N 3.17Å; L171-Y173 VanDerWaalsContact C-N 3.33Å; L171-Y173 PolarHBondContact O-N 3.45Å; Y173-K176 CarbonylContact O-C 3.6Å; Y173-K176 PolarHBondContact O-N 3.07Å; Y173-S177 WeakPolarHBondContact O-CB 3.49Å; Y173-S177 PolarHBondContact O-N 3.06Å; Y173-S177 PolarHBondContact O-OG 3.42Å |
| 174 | H | 84 | Confident | 73.1 | Confident | 7 Ų | 7 | 91.4 Ų | 91.4 | 3% | 0.032 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 177 | 165.5 | 61.9 | 0 | 0 | 0 | 112.7 | C158 C161 Y165 G170 L171 K176 S177 E178 H179 | C158-H174 VanDerWaalsContact SG-CD2 3.59Å; C158-H174 PolarHBondContact SG-NE2 3.39Å; C161-H174 VanDerWaalsContact SG-CE1 3.55Å; C161-H174 PolarHBondContact SG-NE2 3.34Å; Y165-H174 HydrophobicContact CE1-CB 3.73Å; Y165-H174 HydrophobicContact CE2-CB 4.05Å; Y165-H174 AromaticContact CE2-CD2 3.37Å; Y165-H174 WeakPolarHBondContact CE2-CD2 3.4Å; Y165-H174 AromaticContact CE2-CG 3.72Å; Y165-H174 VanDerWaalsContact CZ-CB 3.46Å; Y165-H174 AromaticContact CZ-CD2 3.47Å; Y165-H174 VanDerWaalsContact CZ-CD2 3.47Å; Y165-H174 AromaticContact CZ-CG 3.29Å; Y165-H174 AromaticContact CZ-ND1 3.9Å; Y165-H174 WeakPolarHBondContact OH-CB 3.36Å; Y165-H174 PolarHBondContact OH-CD2 2.88Å; Y165-H174 VanDerWaalsContact OH-CD2 3.24Å; Y165-H174 PolarHBondContact OH-CE1 3.39Å; Y165-H174 PolarHBondContact OH-ND1 2.86Å; G170-H174 WeakPolarHBondContact O-CB 3.43Å; G170-H174 PolarHBondContact O-N 2.91Å; L171-H174 WeakPolarHBondContact O-CB 3.37Å; L171-H174 PolarHBondContact O-N 3.26Å; H174-K176 PolarHBondContact O-N 3.36Å; H174-S177 PolarHBondContact O-N 3.34Å; H174-S177 PolarHBondContact O-OG 2.74Å; H174-E178 VanDerWaalsContact ND1-CG 3.29Å; H174-E178 WeakPolarHBondContact ND1-CG 3.41Å; H174-E178 WeakPolarHBondContact O-CB 3.21Å; H174-E178 PolarHBondContact O-N 3.09Å; H174-H179 AromaticContact CE1-CD2 3.86Å; H174-H179 AromaticContact CE1-NE2 3.65Å; H174-H179 AromaticContact NE2-CD2 3.51Å; H174-H179 AromaticContact NE2-NE2 3.39Å; H174-H179 PolarHBondContact NE2-NE2 3.11Å |
| 175 | L | 84.1 | Confident | 71.2 | Confident | 58 Ų | 58 | 97.7 Ų | 97.7 | 30% | 0.304 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 173.7 | -71.2 | 171.6 | 0 | 0 | 0 | 110.7 | L171 E172 H179 A180 | L171-L175 HydrophobicContact CD1-CD1 4.31Å; L171-L175 HydrophobicContact CD1-CG 4.14Å; L171-L175 HydrophobicContact CG-CD1 4.07Å; L171-L175 HydrophobicContact CG-CG 4.36Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.11Å; E172-L175 PolarHBondContact O-N 3.33Å; L175-H179 HydrophobicContact CD2-CB 4.4Å; L175-H179 CarbonylContact O-C 3.41Å; L175-H179 VanDerWaalsContact O-CA 3.25Å; L175-H179 WeakPolarHBondContact O-CA 3.27Å; L175-H179 WeakPolarHBondContact O-CB 3.09Å; L175-H179 PolarHBondContact O-N 2.78Å; L175-H179 VanDerWaalsContact O-N 3.09Å; L175-A180 PolarHBondContact O-N 3.17Å |
| 176 | K | 81.8 | Confident | 69.2 | Low | 169 Ų | 169 | 100.7 Ų | 100.7 | 74% | 0.735 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -75.1 | -26.5 | 179.5 | -167.9 | 171.3 | -174.3 | 172.2 | 0 | 114.1 | E172 Y173 H174 A180 | E172-K176 VanDerWaalsContact O-CB 3.27Å; E172-K176 WeakPolarHBondContact O-CB 3.4Å; E172-K176 PolarHBondContact O-N 3.26Å; Y173-K176 CarbonylContact O-C 3.6Å; Y173-K176 PolarHBondContact O-N 3.07Å; H174-K176 PolarHBondContact O-N 3.36Å; K176-A180 VanDerWaalsContact O-CB 3.28Å; K176-A180 WeakPolarHBondContact O-CB 3.49Å |
| 177 | S | 80.7 | Confident | 67.8 | Low | 53 Ų | 53 | 102.1 Ų | 102.1 | 37% | 0.371 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -92.2 | -43.4 | -178.6 | 72.2 | 0 | 0 | 0 | 0 | 112.7 | Y173 H174 | Y173-S177 WeakPolarHBondContact O-CB 3.49Å; Y173-S177 PolarHBondContact O-N 3.06Å; Y173-S177 PolarHBondContact O-OG 3.42Å; H174-S177 PolarHBondContact O-N 3.34Å; H174-S177 PolarHBondContact O-OG 2.74Å |
| 178 | E | 76.4 | Confident | 66.3 | Low | 122 Ų | 122 | 108 Ų | 108 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -101.4 | -27.9 | -172.8 | -54.6 | -54.7 | 125 | 0 | 0 | 113.1 | H174 | H174-E178 VanDerWaalsContact ND1-CG 3.29Å; H174-E178 WeakPolarHBondContact ND1-CG 3.41Å; H174-E178 WeakPolarHBondContact O-CB 3.21Å; H174-E178 PolarHBondContact O-N 3.09Å |
| 179 | H | 77.1 | Confident | 64.7 | Low | 59 Ų | 59 | 105.7 Ų | 105.7 | 27% | 0.273 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -120.8 | 25.1 | -176.6 | -57.3 | -60.6 | 0 | 0 | 0 | 111.7 | C158 H160 C161 H174 L175 P181 | C158-H179 VanDerWaalsContact SG-CD2 3.55Å; H160-H179 VanDerWaalsContact CB-CE1 3.42Å; H160-H179 WeakPolarHBondContact CB-CE1 3.32Å; H160-H179 AromaticContact CD2-CG 4Å; C161-H179 PolarHBondContact SG-NE2 3.28Å; H174-H179 AromaticContact CE1-CD2 3.86Å; H174-H179 AromaticContact CE1-NE2 3.65Å; H174-H179 AromaticContact NE2-CD2 3.51Å; H174-H179 AromaticContact NE2-NE2 3.39Å; H174-H179 PolarHBondContact NE2-NE2 3.11Å; L175-H179 HydrophobicContact CD2-CB 4.4Å; L175-H179 CarbonylContact O-C 3.41Å; L175-H179 VanDerWaalsContact O-CA 3.25Å; L175-H179 WeakPolarHBondContact O-CA 3.27Å; L175-H179 WeakPolarHBondContact O-CB 3.09Å; L175-H179 PolarHBondContact O-N 2.78Å; L175-H179 VanDerWaalsContact O-N 3.09Å; H179-P181 VanDerWaalsContact O-CD 3.29Å; H179-P181 WeakPolarHBondContact O-CD 3.38Å; H179-P181 VanDerWaalsContact O-N 3.14Å |
| 180 | A | 69.6 | Low | 63.1 | Low | 58 Ų | 58 | 110.9 Ų | 110.9 | 48% | 0.479 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 120.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | L175 K176 T182 | L175-A180 PolarHBondContact O-N 3.17Å; K176-A180 VanDerWaalsContact O-CB 3.28Å; K176-A180 WeakPolarHBondContact O-CB 3.49Å; A180-T182 PolarHBondContact O-N 3.28Å; A180-T182 VanDerWaalsContact O-N 3.12Å |
| 181 | P | 61 | Low | 61.3 | Low | 117 Ų | 117 | 113.5 Ų | 113.5 | 76% | 0.76 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 121.4 | 173.1 | -19.1 | 30.5 | 0 | 0 | 0 | 108.2 | H179 P183 | H179-P181 VanDerWaalsContact O-CD 3.29Å; H179-P181 WeakPolarHBondContact O-CD 3.38Å; H179-P181 VanDerWaalsContact O-N 3.14Å; P181-P183 VanDerWaalsContact O-CD 3.26Å; P181-P183 WeakPolarHBondContact O-CD 3.28Å |
| 182 | T | 41.2 | Very low | 59.6 | Low | 129 Ų | 129 | 118.2 Ų | 118.2 | 79% | 0.791 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 118.8 | 166.8 | 11.1 | 0 | 0 | 0 | 0 | 108.1 | A180 Q184 | A180-T182 PolarHBondContact O-N 3.28Å; A180-T182 VanDerWaalsContact O-N 3.12Å; T182-Q184 PolarHBondContact O-N 2.82Å |
| 183 | P | 46.2 | Very low | 57.7 | Low | 124 Ų | 124 | 120 Ų | 120 | 81% | 0.805 | 62% | 0.623 | S | S | * | * | trans | -69.3 | 103.2 | 177.5 | -14.4 | 28.6 | 0 | 0 | 0 | 108.8 | P181 | P181-P183 VanDerWaalsContact O-CD 3.26Å; P181-P183 WeakPolarHBondContact O-CD 3.28Å | ||
| 184 | Q | 42.4 | Very low | 55.7 | Low | 181 Ų | 181 | 115.6 Ų | 115.6 | 85% | 0.846 | 62% | 0.622 | S | S | * | * | trans | -74.6 | 120 | 157.1 | -70.9 | -173.5 | -16.6 | 0 | 0 | 106.9 | T182 | T182-Q184 PolarHBondContact O-N 2.82Š| ||
| 185 | K | 41.1 | Very low | 53.7 | Low | 188 Ų | 188 | 123.5 Ų | 123.5 | 82% | 0.817 | 66% | 0.659 | S | S | * | * | trans | -67.4 | 143.8 | 177.7 | -66.1 | 175.7 | 175.1 | 179.6 | 0 | 110.3 | ||||
| 186 | P | 38.1 | Very low | 51.8 | Low | 111 Ų | 111 | 130.5 Ų | 130.5 | 72% | 0.721 | 68% | 0.681 | S | S | * | * | trans | -113.9 | 137.6 | 136.7 | -0.9 | 21.4 | 0 | 0 | 0 | 110.3 | E188 | P186-E188 PolarHBondContact O-N 2.77Å; P186-E188 VanDerWaalsContact O-N 3.1Å | ||
| 187 | E | 43 | Very low | 49.8 | Very low | 181 Ų | 181 | 129.4 Ų | 129.4 | 85% | 0.846 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 18.9 | -167.8 | -67.7 | -172.3 | 132.6 | 0 | 0 | 116 | ||
| 188 | E | 43.4 | Very low | 47.9 | Very low | 174 Ų | 174 | 131.3 Ų | 131.3 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -0.6 | -167.2 | -64.2 | -174.4 | 149.7 | 0 | 0 | 115.6 | P186 | P186-E188 PolarHBondContact O-N 2.77Å; P186-E188 VanDerWaalsContact O-N 3.1Å |
| 189 | D | 42.5 | Very low | 46.4 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 51% | 0.513 | 70% | 0.704 | S | S | . | * | trans | -112.1 | 20 | -170.4 | -152.8 | 21 | 0 | 0 | 0 | 114.8 | ||||
| 190 | E | 46.1 | Very low | 45 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -80.7 | -25.6 | 172.5 | -85.3 | -102 | 135.4 | 0 | 0 | 112.4 | ||
| 191 | A | 43.3 | Very low | 44.2 | Very low | 78 Ų | 78 | 139.5 Ų | 139.5 | 65% | 0.645 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -27.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 192 | L | 46.1 | Very low | 43.6 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 65% | 0.654 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -18.4 | -175.3 | -73.5 | 80 | 0 | 0 | 0 | 113.3 | ||
| 193 | K | 40 | Very low | 44.3 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 62% | 0.617 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -29.8 | 174.8 | -97.8 | 174.8 | 179.8 | 162.9 | 0 | 113.7 | H195 R196 | K193-H195 PolarHBondContact O-N 3.28Å; K193-R196 PolarHBondContact O-N 3Å |
| 194 | A | 41.7 | Very low | 44.6 | Very low | 79 Ų | 79 | 140.6 Ų | 140.6 | 65% | 0.653 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -25.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 195 | H | 42.7 | Very low | 45.1 | Very low | 174 Ų | 174 | 137 Ų | 137 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -2.5 | -176.8 | -151.8 | -77.8 | 0 | 0 | 0 | 114.5 | K193 | K193-H195 PolarHBondContact O-N 3.28Š|
| 196 | R | 42.9 | Very low | 46 | Very low | 205 Ų | 205 | 130.7 Ų | 130.7 | 77% | 0.774 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -5.1 | 178.6 | -118 | 178.4 | 178.4 | 170.1 | 0.3 | 114.3 | K193 A198 | K193-R196 PolarHBondContact O-N 3Å; R196-A198 VanDerWaalsContact C-N 3.28Å; R196-A198 PolarHBondContact O-N 2.93Å |
| 197 | E | 39.8 | Very low | 46.5 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 68% | 0.682 | 71% | 0.708 | S | S | * | * | trans | -89.6 | 25 | 177.6 | -66.9 | -164.6 | 155.1 | 0 | 0 | 114 | N199 | E197-N199 VanDerWaalsContact C-N 3.35Å; E197-N199 PolarHBondContact O-N 3.45Å | ||
| 198 | A | 42.2 | Very low | 47.3 | Very low | 92 Ų | 92 | 133 Ų | 133 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | trans | -78.2 | 89.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110 | R196 | R196-A198 VanDerWaalsContact C-N 3.28Å; R196-A198 PolarHBondContact O-N 2.93Å | ||
| 199 | N | 43.7 | Very low | 48.3 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | trans | 75.1 | 106.4 | 156.4 | -155.2 | 1.5 | 0 | 0 | 0 | 117.6 | E197 E201 | E197-N199 VanDerWaalsContact C-N 3.35Å; E197-N199 PolarHBondContact O-N 3.45Å; N199-E201 PolarHBondContact OD1-N 2.89Å | ||
| 200 | P | 48 | Very low | 49.7 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 66% | 0.656 | 69% | 0.692 | S | S | * | * | -132.5 | 143.8 | 108.7 | 21.2 | -3.2 | 0 | 0 | 0 | 112.6 | R202 | P200-R202 PolarHBondContact O-N 3.44Š| |||
| 201 | E | 53.5 | Low | 50.8 | Low | 178 Ų | 178 | 127.3 Ų | 127.3 | 83% | 0.832 | 68% | 0.68 | S | S | * | * | trans | -40.1 | 116.9 | -172 | -68.3 | -178.5 | 117 | 0 | 0 | 114.5 | N199 | N199-E201 PolarHBondContact OD1-N 2.89Š| ||
| 202 | R | 47.6 | Very low | 51.7 | Low | 198 Ų | 198 | 127.4 Ų | 127.4 | 75% | 0.747 | 68% | 0.676 | S | S | * | * | trans | -73.4 | 135.1 | 173.6 | -72.2 | 179.1 | 169.9 | -172.2 | -2.1 | 109.7 | P200 | P200-R202 PolarHBondContact O-N 3.44Š| ||
| 203 | T | 55.2 | Low | 53 | Low | 47 Ų | 47 | 123 Ų | 123 | 29% | 0.288 | 66% | 0.657 | S | S | . | * | trans | -64.9 | 154.2 | 164.2 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | S205 G206 R207 Q209 | T203-S205 PolarHBondContact O-N 3.26Å; T203-G206 PolarHBondContact O-N 3.41Å; T203-R207 PolarHBondContact OG1-O 3.12Å; T203-Q209 HydrophobicContact CG2-CG 4.38Å | ||
| 204 | P | 53.1 | Low | 54.7 | Low | 149 Ų | 149 | 120 Ų | 120 | 97% | 0.968 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -8.8 | -178.8 | -25.3 | 33.7 | 0 | 0 | 0 | 115.5 | ||
| 205 | S | 52.8 | Low | 56.3 | Low | 106 Ų | 106 | 120 Ų | 120 | 74% | 0.741 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 8.2 | 179.5 | -162.7 | 0 | 0 | 0 | 0 | 113.6 | T203 R207 | T203-S205 PolarHBondContact O-N 3.26Å; S205-R207 PolarHBondContact O-N 3.27Å |
| 206 | G | 60 | Low | 57.7 | Low | 55 Ų | 55 | 114 Ų | 114 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | trans | 68.8 | 4.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | T203 | T203-G206 PolarHBondContact O-N 3.41Š| ||
| 207 | R | 48.9 | Very low | 59.4 | Low | 206 Ų | 206 | 108 Ų | 108 | 78% | 0.777 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 127.8 | -179.7 | -161.4 | 176.2 | -164.7 | 175 | 6.3 | 110.5 | T203 S205 Q209 | T203-R207 PolarHBondContact OG1-O 3.12Å; S205-R207 PolarHBondContact O-N 3.27Å; R207-Q209 PolarHBondContact O-N 2.9Å |
| 208 | V | 59.3 | Low | 61.1 | Low | 133 Ų | 133 | 107.3 Ų | 107.3 | 81% | 0.806 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 118.9 | 174.3 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | ||
| 209 | Q | 64.7 | Low | 62.5 | Low | 61 Ų | 61 | 107.3 Ų | 107.3 | 29% | 0.285 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -74.8 | 134.5 | 177.2 | -124.6 | -174.5 | -12 | 0 | 0 | 109 | T203 R207 A213 Q214 N217 | T203-Q209 HydrophobicContact CG2-CG 4.38Å; R207-Q209 PolarHBondContact O-N 2.9Å; Q209-A213 HydrophobicContact CG-CB 4.05Å; Q209-Q214 HydrophobicContact CB-CG 4Å; Q209-N217 PolarHBondContact NE2-ND2 2.97Å |
| 210 | R | 73.3 | Confident | 63.9 | Low | 198 Ų | 198 | 106.3 Ų | 106.3 | 75% | 0.747 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 141.9 | 172.6 | -73.4 | -174.7 | -97.3 | 131.3 | -7.9 | 109.2 | S212 A213 Q214 | R210-S212 PolarHBondContact O-N 3.41Å; R210-A213 WeakPolarHBondContact O-CA 3.37Å; R210-A213 VanDerWaalsContact O-CB 3.32Å; R210-A213 WeakPolarHBondContact O-CB 3.45Å; R210-A213 PolarHBondContact O-N 3.27Å; R210-Q214 PolarHBondContact O-N 2.85Å |
| 211 | A | 67.8 | Low | 65.1 | Low | 69 Ų | 69 | 103.7 Ų | 103.7 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -51.4 | -36.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A213 Q214 V215 | A211-A213 VanDerWaalsContact C-N 3.29Å; A211-A213 PolarHBondContact O-N 2.94Å; A211-Q214 PolarHBondContact O-N 3.17Å; A211-V215 WeakPolarHBondContact O-CG2 3.44Å; A211-V215 PolarHBondContact O-N 3.39Å |
| 212 | S | 63.1 | Low | 65.8 | Low | 80 Ų | 80 | 99.6 Ų | 99.6 | 56% | 0.559 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.6 | -32.8 | 175.3 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | R210 A216 | R210-S212 PolarHBondContact O-N 3.41Å; S212-A216 WeakPolarHBondContact O-CB 3.48Å; S212-A216 PolarHBondContact O-N 3.45Å; S212-A216 VanDerWaalsContact O-N 3.07Å |
| 213 | A | 71.9 | Confident | 66.7 | Low | 32 Ų | 32 | 95.7 Ų | 95.7 | 26% | 0.264 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -77.1 | -32.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q209 R210 A211 A216 N217 | Q209-A213 HydrophobicContact CG-CB 4.05Å; R210-A213 WeakPolarHBondContact O-CA 3.37Å; R210-A213 VanDerWaalsContact O-CB 3.32Å; R210-A213 WeakPolarHBondContact O-CB 3.45Å; R210-A213 PolarHBondContact O-N 3.27Å; A211-A213 VanDerWaalsContact C-N 3.29Å; A211-A213 PolarHBondContact O-N 2.94Å; A213-A216 PolarHBondContact O-N 2.92Å; A213-N217 WeakPolarHBondContact O-CB 3.45Å; A213-N217 VanDerWaalsContact O-CG 3.29Å; A213-N217 PolarHBondContact O-N 3.45Å |
| 214 | Q | 76.6 | Confident | 67.1 | Low | 78 Ų | 78 | 96.6 Ų | 96.6 | 36% | 0.364 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 173.1 | -66 | 174.5 | -48.4 | 0 | 0 | 110.9 | Q209 R210 A211 A216 N217 F218 | Q209-Q214 HydrophobicContact CB-CG 4Å; R210-Q214 PolarHBondContact O-N 2.85Å; A211-Q214 PolarHBondContact O-N 3.17Å; Q214-A216 VanDerWaalsContact C-N 3.33Å; Q214-A216 PolarHBondContact O-N 3.22Å; Q214-N217 PolarHBondContact O-N 3.25Å; Q214-F218 WeakPolarHBondContact O-CB 3.28Å; Q214-F218 PolarHBondContact O-N 3.49Å |
| 215 | V | 75.7 | Confident | 67.6 | Low | 81 Ų | 81 | 96 Ų | 96 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | A211 F218 H219 | A211-V215 WeakPolarHBondContact O-CG2 3.44Å; A211-V215 PolarHBondContact O-N 3.39Å; V215-F218 PolarHBondContact O-N 3.36Å; V215-H219 PolarHBondContact O-CD2 3.19Å; V215-H219 PolarHBondContact O-N 3.26Å |
| 216 | A | 71.6 | Confident | 68.1 | Low | 46 Ų | 46 | 97.2 Ų | 97.2 | 38% | 0.38 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | S212 A213 Q214 F218 H219 L220 | S212-A216 WeakPolarHBondContact O-CB 3.48Å; S212-A216 PolarHBondContact O-N 3.45Å; S212-A216 VanDerWaalsContact O-N 3.07Å; A213-A216 PolarHBondContact O-N 2.92Å; Q214-A216 VanDerWaalsContact C-N 3.33Å; Q214-A216 PolarHBondContact O-N 3.22Å; A216-F218 VanDerWaalsContact C-N 3.33Å; A216-F218 PolarHBondContact O-N 3.13Å; A216-H219 PolarHBondContact O-N 3.07Å; A216-L220 WeakPolarHBondContact O-CB 3.14Å; A216-L220 VanDerWaalsContact O-CG 3.22Å; A216-L220 WeakPolarHBondContact O-CG 3.42Å; A216-L220 PolarHBondContact O-N 3.38Å |
| 217 | N | 78.1 | Confident | 67.9 | Low | 81 Ų | 81 | 100.3 Ų | 100.3 | 43% | 0.433 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 176.1 | -80.6 | 0 | 0 | 0 | 0 | 112.1 | Q209 A213 Q214 L220 A221 | Q209-N217 PolarHBondContact NE2-ND2 2.97Å; A213-N217 WeakPolarHBondContact O-CB 3.45Å; A213-N217 VanDerWaalsContact O-CG 3.29Å; A213-N217 PolarHBondContact O-N 3.45Å; Q214-N217 PolarHBondContact O-N 3.25Å; N217-L220 PolarHBondContact O-N 3.27Å; N217-A221 WeakPolarHBondContact O-CB 3.38Å; N217-A221 PolarHBondContact O-N 2.89Å |
| 218 | F | 76.8 | Confident | 67.5 | Low | 131 Ų | 131 | 97 Ų | 97 | 58% | 0.575 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.3 | -51.1 | 175.8 | 178.4 | -93.4 | 0 | 0 | 0 | 111 | Q214 V215 A216 L220 A221 E222 | Q214-F218 WeakPolarHBondContact O-CB 3.28Å; Q214-F218 PolarHBondContact O-N 3.49Å; V215-F218 PolarHBondContact O-N 3.36Å; A216-F218 VanDerWaalsContact C-N 3.33Å; A216-F218 PolarHBondContact O-N 3.13Å; F218-L220 VanDerWaalsContact C-N 3.32Å; F218-L220 PolarHBondContact O-N 2.62Å; F218-A221 PolarHBondContact O-N 3.01Å; F218-E222 WeakPolarHBondContact O-CB 3.33Å; F218-E222 PolarHBondContact O-N 3.4Å |
| 219 | H | 72 | Confident | 67 | Low | 91 Ų | 91 | 95.5 Ų | 95.5 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.2 | -34.7 | 177.4 | -70.1 | -53.5 | 0 | 0 | 0 | 113 | V215 A216 E222 I223 | V215-H219 PolarHBondContact O-CD2 3.19Å; V215-H219 PolarHBondContact O-N 3.26Å; A216-H219 PolarHBondContact O-N 3.07Å; H219-E222 IonicContact ND1-OE2 2.8Å; H219-E222 PolarHBondContact ND1-OE2 2.75Å; H219-E222 PolarHBondContact O-N 2.83Å; H219-I223 WeakPolarHBondContact O-CB 3.36Å; H219-I223 WeakPolarHBondContact O-CD1 3.35Å; H219-I223 WeakPolarHBondContact O-CG1 3.33Å; H219-I223 PolarHBondContact O-N 3.13Å |
| 220 | L | 72.7 | Confident | 66.2 | Low | 112 Ų | 112 | 102.6 Ų | 102.6 | 59% | 0.586 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66 | -39.2 | 174 | -73.6 | 169.9 | 0 | 0 | 0 | 112 | A216 N217 F218 A224 | A216-L220 WeakPolarHBondContact O-CB 3.14Å; A216-L220 VanDerWaalsContact O-CG 3.22Å; A216-L220 WeakPolarHBondContact O-CG 3.42Å; A216-L220 PolarHBondContact O-N 3.38Å; N217-L220 PolarHBondContact O-N 3.27Å; F218-L220 VanDerWaalsContact C-N 3.32Å; F218-L220 PolarHBondContact O-N 2.62Å; L220-A224 WeakPolarHBondContact O-CB 3.46Å; L220-A224 PolarHBondContact O-N 3.48Å |
| 221 | A | 72.3 | Confident | 64.6 | Low | 46 Ų | 46 | 100 Ų | 100 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69 | -39.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | N217 F218 A224 N225 | N217-A221 WeakPolarHBondContact O-CB 3.38Å; N217-A221 PolarHBondContact O-N 2.89Å; F218-A221 PolarHBondContact O-N 3.01Å; A221-A224 PolarHBondContact O-N 3.38Å; A221-N225 WeakPolarHBondContact O-CB 3.09Å; A221-N225 PolarHBondContact O-N 2.9Å; A221-N225 PolarHBondContact O-ND2 2.87Å; A221-N225 VanDerWaalsContact O-ND2 3.13Å |
| 222 | E | 69.1 | Low | 63.1 | Low | 91 Ų | 91 | 104.4 Ų | 104.4 | 43% | 0.425 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.4 | -44.5 | 174.9 | -169.3 | 178.1 | -164.7 | 0 | 0 | 111.2 | F218 H219 A224 N225 N226 | F218-E222 WeakPolarHBondContact O-CB 3.33Å; F218-E222 PolarHBondContact O-N 3.4Å; H219-E222 IonicContact ND1-OE2 2.8Å; H219-E222 PolarHBondContact ND1-OE2 2.75Å; H219-E222 PolarHBondContact O-N 2.83Å; E222-A224 PolarHBondContact O-N 3.44Å; E222-N225 PolarHBondContact O-N 3.16Å; E222-N226 WeakPolarHBondContact O-CB 3.3Å; E222-N226 PolarHBondContact O-N 3.47Å |
| 223 | I | 66.1 | Low | 62.2 | Low | 117 Ų | 117 | 105.4 Ų | 105.4 | 60% | 0.6 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.8 | -40.3 | 173.8 | -68 | 162.6 | 0 | 0 | 0 | 111.3 | H219 N225 | H219-I223 WeakPolarHBondContact O-CB 3.36Å; H219-I223 WeakPolarHBondContact O-CD1 3.35Å; H219-I223 WeakPolarHBondContact O-CG1 3.33Å; H219-I223 PolarHBondContact O-N 3.13Å; I223-N225 VanDerWaalsContact C-N 3.29Å; I223-N225 PolarHBondContact O-N 2.92Å |
| 224 | A | 63.8 | Low | 60.9 | Low | 65 Ų | 65 | 113.4 Ų | 113.4 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.6 | -33 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L220 A221 E222 | L220-A224 WeakPolarHBondContact O-CB 3.46Å; L220-A224 PolarHBondContact O-N 3.48Å; A221-A224 PolarHBondContact O-N 3.38Å; E222-A224 PolarHBondContact O-N 3.44Å |
| 225 | N | 63.9 | Low | 58.9 | Low | 136 Ų | 136 | 118.2 Ų | 118.2 | 73% | 0.727 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -85.8 | -26.9 | -178.4 | -71.2 | -29.3 | 0 | 0 | 0 | 113.3 | A221 E222 I223 | A221-N225 WeakPolarHBondContact O-CB 3.09Å; A221-N225 PolarHBondContact O-N 2.9Å; A221-N225 PolarHBondContact O-ND2 2.87Å; A221-N225 VanDerWaalsContact O-ND2 3.13Å; E222-N225 PolarHBondContact O-N 3.16Å; I223-N225 VanDerWaalsContact C-N 3.29Å; I223-N225 PolarHBondContact O-N 2.92Å |
| 226 | N | 63 | Low | 57.2 | Low | 132 Ų | 132 | 123.5 Ų | 123.5 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -101.5 | -2.3 | -173.6 | -106.9 | 5.5 | 0 | 0 | 0 | 117.3 | E222 | E222-N226 WeakPolarHBondContact O-CB 3.3Å; E222-N226 PolarHBondContact O-N 3.47Å |
| 227 | E | 55.5 | Low | 55.4 | Low | 121 Ų | 121 | 130 Ų | 130 | 57% | 0.565 | 64% | 0.641 | S | S | * | * | trans | -140.4 | 76.4 | 170.8 | -72.6 | -153 | 171.8 | 0 | 0 | 114.1 | ||||
| 228 | L | 41.1 | Very low | 53.3 | Low | 135 Ų | 135 | 135.4 Ų | 135.4 | 71% | 0.707 | 66% | 0.663 | S | S | * | * | trans | -123.9 | 101.1 | 149.3 | -75.3 | 170.8 | 0 | 0 | 0 | 109.2 | K230 | L228-K230 PolarHBondContact O-N 2.99Š| ||
| 229 | P | 47.5 | Very low | 51.1 | Low | 102 Ų | 102 | 132.3 Ų | 132.3 | 66% | 0.662 | 66% | 0.658 | S | S | * | * | trans | -52.1 | 127.6 | 151.2 | -21.7 | 33.3 | 0 | 0 | 0 | 108.1 | D231 | P229-D231 PolarHBondContact O-N 2.93Š| ||
| 230 | K | 49.5 | Very low | 49.8 | Very low | 211 Ų | 211 | 133.8 Ų | 133.8 | 92% | 0.917 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -60.5 | 20.8 | -178.4 | -79.3 | 176 | 173 | 175.3 | 0 | 115.4 | L228 | L228-K230 PolarHBondContact O-N 2.99Š|
| 231 | D | 38.9 | Very low | 48.6 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 77% | 0.765 | 68% | 0.684 | S | S | * | * | trans | -111.9 | 41.4 | 177.9 | -68 | -45.8 | 0 | 0 | 0 | 112.8 | P229 P233 | P229-D231 PolarHBondContact O-N 2.93Å; D231-P233 WeakPolarHBondContact O-CD 2.85Å | ||
| 232 | W | 37.1 | Very low | 47.1 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 61% | 0.61 | 69% | 0.686 | S | S | * | * | trans | -102.2 | 67.9 | 163 | -167.5 | -96.6 | 0 | 0 | 0 | 113 | R235 | W232-R235 HydrophobicContact CH2-CB 3.99Å; W232-R235 HydrophobicContact CH2-CG 4.46Å; W232-R235 HydrophobicContact CZ2-CB 3.21Å; W232-R235 HydrophobicContact CZ2-CG 4.03Å | ||
| 233 | P | 42.5 | Very low | 46.1 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 66% | 0.656 | 69% | 0.691 | S | S | * | * | trans | -86.9 | 120.8 | 161 | 32.1 | -26.4 | 0 | 0 | 0 | 109.6 | D231 | D231-P233 WeakPolarHBondContact O-CD 2.85Š| ||
| 234 | K | 44.5 | Very low | 45.4 | Very low | 200 Ų | 200 | 135.7 Ų | 135.7 | 87% | 0.87 | 68% | 0.683 | S | S | * | * | trans | 81.3 | 58.7 | 157.9 | -51.9 | 172 | -179.5 | 175.4 | 0 | 118.8 | ||||
| 235 | R | 34.8 | Very low | 45 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 68% | 0.679 | 68% | 0.681 | S | S | * | * | trans | -106.5 | 103.9 | 148.7 | -147.2 | -179.8 | -83.2 | -163 | -1.8 | 109.9 | W232 | W232-R235 HydrophobicContact CH2-CB 3.99Å; W232-R235 HydrophobicContact CH2-CG 4.46Å; W232-R235 HydrophobicContact CZ2-CB 3.21Å; W232-R235 HydrophobicContact CZ2-CG 4.03Å | ||
| 236 | K | 40.3 | Very low | 44.7 | Very low | 192 Ų | 192 | 139.2 Ų | 139.2 | 84% | 0.835 | 69% | 0.685 | S | S | * | * | trans | -69.1 | 140.4 | 173.5 | -70.5 | -179.2 | 176.2 | -178.8 | 0 | 109.5 | ||||
| 237 | F | 34.3 | Very low | 44.8 | Very low | 183 Ų | 183 | 138 Ų | 138 | 80% | 0.803 | 67% | 0.673 | S | S | * | * | trans | 74.8 | 123.2 | 158 | -135.4 | -104.4 | 0 | 0 | 0 | 118.8 | S239 | F237-S239 PolarHBondContact O-N 3.21Š| ||
| 238 | Q | 33.6 | Very low | 45.5 | Very low | 194 Ų | 194 | 132.7 Ų | 132.7 | 91% | 0.907 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 53.9 | 178.7 | -168 | -179.5 | 8.9 | 0 | 0 | 111.1 | ||
| 239 | S | 31.8 | Very low | 46.9 | Very low | 66 Ų | 66 | 128.7 Ų | 128.7 | 46% | 0.462 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.8 | -10.5 | 171.6 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | F237 L241 | F237-S239 PolarHBondContact O-N 3.21Å; S239-L241 PolarHBondContact O-N 3.41Å |
| 240 | D | 43.7 | Very low | 48 | Very low | 121 Ų | 121 | 124 Ų | 124 | 65% | 0.647 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | 43.3 | -165.9 | -69.8 | 10.3 | 0 | 0 | 0 | 113.3 | ||
| 241 | L | 46.7 | Very low | 49.2 | Very low | 171 Ų | 171 | 115.8 Ų | 115.8 | 90% | 0.895 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -8.2 | 156.7 | -76.8 | 172.6 | 0 | 0 | 0 | 112 | S239 | S239-L241 PolarHBondContact O-N 3.41Š|
| 242 | V | 42.3 | Very low | 50.6 | Low | 72 Ų | 72 | 112.6 Ų | 112.6 | 44% | 0.436 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -88.9 | 122.6 | 174.3 | 179 | 0 | 0 | 0 | 0 | 108.5 | D244 | V242-D244 PolarHBondContact O-N 2.75Å; V242-D244 VanDerWaalsContact O-N 3.13Å |
| 243 | P | 46.8 | Very low | 51.9 | Low | 81 Ų | 81 | 106.6 Ų | 106.6 | 53% | 0.526 | 53% | 0.525 | S | S | . | . | trans | -54.7 | 122 | 171.7 | -24.8 | 34.3 | 0 | 0 | 0 | 109.9 | D245 | P243-D245 PolarHBondContact O-N 3.26Š| ||
| 244 | D | 52.6 | Low | 52.5 | Low | 82 Ų | 82 | 104.8 Ų | 104.8 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | trans | -34.5 | 117.6 | 177.7 | -164.7 | -15.3 | 0 | 0 | 0 | 111.4 | V242 K246 K247 | V242-D244 PolarHBondContact O-N 2.75Å; V242-D244 VanDerWaalsContact O-N 3.13Å; D244-K246 PolarHBondContact O-N 2.92Å; D244-K246 WeakPolarHBondContact OD1-CG 3.44Å; D244-K247 HydrophobicContact CB-CD 4.39Å; D244-K247 HydrophobicContact CB-CG 4.44Å; D244-K247 WeakPolarHBondContact O-CB 3.24Å; D244-K247 PolarHBondContact O-N 3.36Å | ||
| 245 | D | 54.8 | Low | 52.8 | Low | 90 Ų | 90 | 100 Ų | 100 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -55.8 | -23.5 | -173.9 | -68.3 | -38.4 | 0 | 0 | 0 | 111.8 | P243 K247 L248 R252 | P243-D245 PolarHBondContact O-N 3.26Å; D245-K247 PolarHBondContact O-N 2.76Å; D245-K247 VanDerWaalsContact O-N 3.16Å; D245-L248 WeakPolarHBondContact O-CB 3.46Å; D245-L248 PolarHBondContact O-N 3.08Å; D245-L248 VanDerWaalsContact O-N 3.08Å; D245-R252 IonicContact OD1-CZ 3.25Å; D245-R252 IonicContact OD1-NH1 3.99Å |
| 246 | K | 57.7 | Low | 53.8 | Low | 186 Ų | 186 | 92.7 Ų | 92.7 | 81% | 0.809 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -61.9 | -17.9 | 173.3 | -61 | -179.6 | -176.5 | -179.7 | 0 | 114.1 | D244 | D244-K246 PolarHBondContact O-N 2.92Å; D244-K246 WeakPolarHBondContact OD1-CG 3.44Å |
| 247 | K | 64.8 | Low | 54.5 | Low | 106 Ų | 106 | 88.7 Ų | 88.7 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -97.9 | -0.7 | 178 | -60.1 | 178.7 | -172.3 | 167.2 | 0 | 112.6 | D244 D245 V339 | D244-K247 HydrophobicContact CB-CD 4.39Å; D244-K247 HydrophobicContact CB-CG 4.44Å; D244-K247 WeakPolarHBondContact O-CB 3.24Å; D244-K247 PolarHBondContact O-N 3.36Å; D245-K247 PolarHBondContact O-N 2.76Å; D245-K247 VanDerWaalsContact O-N 3.16Å; K247-V339 HydrophobicContact CB-CB 4.43Å; K247-V339 WeakPolarHBondContact O-CG2 3.42Å; K247-V339 PolarHBondContact O-N 3.36Å |
| 248 | L | 70.8 | Confident | 55.8 | Low | 9 Ų | 9 | 81.4 Ų | 81.4 | 5% | 0.047 | 45% | 0.454 | C | S | . | . | B | Isolated β-bridge | trans | -93.4 | 143.3 | 178.7 | -59.1 | 177.2 | 0 | 0 | 0 | 110.2 | D245 Y250 W337 | D245-L248 WeakPolarHBondContact O-CB 3.46Å; D245-L248 PolarHBondContact O-N 3.08Å; D245-L248 VanDerWaalsContact O-N 3.08Å; L248-Y250 HydrophobicContact CB-CD1 4.44Å; L248-Y250 HydrophobicContact CB-CE1 4.36Å; L248-Y250 HydrophobicContact CD1-CE2 4.31Å; L248-Y250 HydrophobicContact CD2-CE1 4.27Å; L248-Y250 PolarHBondContact O-N 3.25Å; L248-W337 HydrophobicContact CD2-CE3 3.67Å; L248-W337 HydrophobicContact CD2-CZ3 3.49Å; L248-W337 VanDerWaalsContact CD2-CZ3 3.49Å |
| 249 | K | 70.8 | Confident | 57.5 | Low | 51 Ų | 51 | 75.3 Ų | 75.3 | 22% | 0.222 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -88.5 | 14.9 | 173 | -56.7 | -159.8 | -174 | -150.4 | 0 | 113 | L313 I314 I329 Q335 D336 W337 V339 | K249-L313 WeakPolarHBondContact O-CB 3.23Å; K249-L313 PolarHBondContact O-N 3.1Å; K249-I314 HydrophobicContact CB-CD1 4.24Å; K249-I314 HydrophobicContact CB-CG1 4.42Å; K249-I314 HydrophobicContact CD-CD1 3.95Å; K249-I329 HydrophobicContact CB-CD1 4.2Å; K249-Q335 HydrophobicContact CD-CG 3.96Å; K249-D336 VanDerWaalsContact CD-O 3.3Å; K249-D336 WeakPolarHBondContact CD-O 3.33Å; K249-D336 VanDerWaalsContact CE-O 3.25Å; K249-D336 WeakPolarHBondContact CE-O 3.29Å; K249-W337 PolarHBondContact N-O 2.81Å; K249-V339 HydrophobicContact CG-CG2 4.41Å |
| 250 | Y | 71.1 | Confident | 59.4 | Low | 3 Ų | 3 | 80.5 Ų | 80.5 | 1% | 0.012 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146.6 | 171.8 | 60.5 | -85.8 | 0 | 0 | 0 | 110.1 | L248 R252 Y310 R311 E322 V325 K326 I329 W337 | L248-Y250 HydrophobicContact CB-CD1 4.44Å; L248-Y250 HydrophobicContact CB-CE1 4.36Å; L248-Y250 HydrophobicContact CD1-CE2 4.31Å; L248-Y250 HydrophobicContact CD2-CE1 4.27Å; L248-Y250 PolarHBondContact O-N 3.25Å; Y250-R252 HydrophobicContact CD2-CG 4.32Å; Y250-R252 HydrophobicContact CE2-CG 3.85Å; Y250-Y310 HydrophobicContact CD2-CD1 4.11Å; Y250-Y310 HydrophobicContact CE2-CD1 4.07Å; Y250-R311 CarbonylContact C-O 3.49Å; Y250-R311 WeakPolarHBondContact CA-O 3.46Å; Y250-R311 VanDerWaalsContact CB-O 3.3Å; Y250-R311 WeakPolarHBondContact CB-O 3.32Å; Y250-E322 HydrophobicContact CE2-CG 3.99Å; Y250-E322 PolarHBondContact OH-OE1 3Å; Y250-V325 VanDerWaalsContact CB-CG2 3.47Å; Y250-V325 HydrophobicContact CD1-CG1 4.08Å; Y250-V325 HydrophobicContact CD2-CG1 3.59Å; Y250-V325 HydrophobicContact CE1-CG1 4.45Å; Y250-V325 HydrophobicContact CE2-CG1 4.02Å; Y250-V325 HydrophobicContact CG-CB 4.48Å; Y250-V325 HydrophobicContact CG-CG1 3.64Å; Y250-V325 HydrophobicContact CG-CG2 3.99Å; Y250-K326 HydrophobicContact CE1-CG 4Å; Y250-K326 WeakPolarHBondContact OH-CE 3.26Å; Y250-I329 HydrophobicContact CD1-CD1 3.69Å; Y250-I329 HydrophobicContact CG-CD1 4.23Å; Y250-W337 HydrophobicContact CD1-CB 4.4Å; Y250-W337 HydrophobicContact CE1-CB 4.27Å; Y250-W337 HydrophobicContact CE1-CD2 4.23Å; Y250-W337 AromaticContact CE1-CE3 3.54Å; Y250-W337 HydrophobicContact CE1-CE3 3.54Å; Y250-W337 HydrophobicContact CE1-CZ3 4.19Å |
| 251 | A | 73 | Confident | 60.7 | Low | 39 Ų | 39 | 80 Ų | 80 | 32% | 0.322 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 133.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y310 R311 L313 | A251-Y310 WeakPolarHBondContact O-CA 3.36Å; A251-R311 HydrophobicContact CB-CB 4.33Å; A251-R311 PolarHBondContact N-O 2.89Å; A251-R311 PolarHBondContact O-N 3.36Å; A251-L313 HydrophobicContact CB-CD2 4.09Å |
| 252 | R | 68.3 | Low | 62.1 | Low | 77 Ų | 77 | 74.1 Ų | 74.1 | 29% | 0.291 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 147.6 | 167.1 | -71.1 | -171.7 | -169.7 | 152 | 7 | 109.6 | D245 Y250 G254 Y310 E322 | D245-R252 IonicContact OD1-CZ 3.25Å; D245-R252 IonicContact OD1-NH1 3.99Å; Y250-R252 HydrophobicContact CD2-CG 4.32Å; Y250-R252 HydrophobicContact CE2-CG 3.85Å; R252-G254 PolarHBondContact O-N 3.45Å; R252-G254 VanDerWaalsContact O-N 3.17Å; R252-Y310 HydrophobicContact CB-CE1 4.47Å; R252-Y310 HydrophobicContact CG-CD1 4.21Å; R252-Y310 HydrophobicContact CG-CE1 4Å; R252-E322 IonicContact NH2-OE1 2.75Å |
| 253 | P | 64.8 | Low | 63.7 | Low | 35 Ų | 35 | 73.3 Ų | 73.3 | 23% | 0.227 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -49.4 | 123.4 | 165.1 | -25.7 | 36.8 | 0 | 0 | 0 | 109 | L255 G308 Y310 | P253-L255 PolarHBondContact O-N 3.41Å; P253-G308 VanDerWaalsContact CB-C 3.42Å; P253-G308 WeakPolarHBondContact CB-O 3.26Å; P253-G308 WeakPolarHBondContact CG-O 3.49Å; P253-Y310 HydrophobicContact CG-CD1 4.36Å; P253-Y310 HydrophobicContact CG-CD2 3.88Å; P253-Y310 HydrophobicContact CG-CE1 4.43Å; P253-Y310 HydrophobicContact CG-CE2 3.95Å; P253-Y310 HydrophobicContact CG-CG 4.09Å |
| 254 | G | 55.1 | Low | 65.2 | Low | 62 Ų | 62 | 76.8 Ų | 76.8 | 64% | 0.639 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 129.5 | 164 | 0 | 0 | 0 | 0 | 0 | 107.5 | R252 | R252-G254 PolarHBondContact O-N 3.45Å; R252-G254 VanDerWaalsContact O-N 3.17Å |
| 255 | L | 51.4 | Low | 66.6 | Low | 100 Ų | 100 | 79 Ų | 79 | 52% | 0.524 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -47.4 | 135.9 | 168.6 | -83.1 | 150.5 | 0 | 0 | 0 | 108.1 | P253 A257 K294 | P253-L255 PolarHBondContact O-N 3.41Å; L255-A257 PolarHBondContact O-N 3.15Å; L255-A257 VanDerWaalsContact O-N 3.12Å; L255-K294 HydrophobicContact CD2-CD 4.33Å; L255-K294 HydrophobicContact CD2-CG 3.88Å |
| 256 | P | 55.5 | Low | 68 | Low | 27 Ų | 27 | 75.7 Ų | 75.7 | 18% | 0.175 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -47.5 | 127.4 | 173.5 | -24.9 | 31.6 | 0 | 0 | 0 | 108.7 | F258 F305 | P256-F258 HydrophobicContact CB-CE1 4.11Å; P256-F258 HydrophobicContact CB-CE2 4.03Å; P256-F258 HydrophobicContact CB-CZ 3.75Å; P256-F258 HydrophobicContact CG-CE2 4.4Å; P256-F258 HydrophobicContact CG-CZ 4.06Å; P256-F258 WeakPolarHBondContact O-CD2 3.28Å; P256-F258 WeakPolarHBondContact O-CE2 3.44Å; P256-F258 PolarHBondContact O-N 3.45Å; P256-F305 HydrophobicContact CB-CD1 4.19Å; P256-F305 HydrophobicContact CG-CB 4.5Å |
| 257 | A | 54.8 | Low | 69.2 | Low | 108 Ų | 108 | 72.8 Ų | 72.8 | 89% | 0.893 | 39% | 0.385 | S | S | * | . | trans | -71.2 | 85.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | L255 | L255-A257 PolarHBondContact O-N 3.15Å; L255-A257 VanDerWaalsContact O-N 3.12Å | ||
| 258 | F | 62.3 | Low | 70 | Confident | 29 Ų | 29 | 71.8 Ų | 71.8 | 13% | 0.127 | 38% | 0.384 | C | S | . | . | trans | -69 | 132.6 | 174.7 | -58.1 | -72.2 | 0 | 0 | 0 | 109.2 | P256 L263 W266 K294 L297 F305 | P256-F258 HydrophobicContact CB-CE1 4.11Å; P256-F258 HydrophobicContact CB-CE2 4.03Å; P256-F258 HydrophobicContact CB-CZ 3.75Å; P256-F258 HydrophobicContact CG-CE2 4.4Å; P256-F258 HydrophobicContact CG-CZ 4.06Å; P256-F258 WeakPolarHBondContact O-CD2 3.28Å; P256-F258 WeakPolarHBondContact O-CE2 3.44Å; P256-F258 PolarHBondContact O-N 3.45Å; F258-L263 HydrophobicContact CB-CD2 4.24Å; F258-L263 HydrophobicContact CB-CG 4.19Å; F258-W266 AromaticContact CD1-CH2 3.69Å; F258-W266 HydrophobicContact CD1-CH2 3.69Å; F258-W266 HydrophobicContact CD1-CZ3 4.11Å; F258-W266 AromaticContact CE1-CH2 3.78Å; F258-W266 HydrophobicContact CE1-CH2 3.78Å; F258-W266 HydrophobicContact CE1-CZ3 4.35Å; F258-W266 HydrophobicContact CG-CH2 4.26Å; F258-W266 HydrophobicContact CG-CZ3 4.21Å; F258-W266 HydrophobicContact CZ-CH2 4.39Å; F258-K294 HydrophobicContact CE2-CG 4.18Å; F258-L297 HydrophobicContact CE1-CD1 3.83Å; F258-L297 HydrophobicContact CE2-CD1 4.49Å; F258-L297 HydrophobicContact CZ-CB 4.01Å; F258-L297 HydrophobicContact CZ-CD1 3.61Å; F258-L297 HydrophobicContact CZ-CG 4.43Å; F258-F305 HydrophobicContact CD1-CE1 4.47Å; F258-F305 HydrophobicContact CE1-CD1 4.21Å; F258-F305 HydrophobicContact CE1-CE1 4.07Å; F258-F305 HydrophobicContact CE1-CZ 4.4Å | ||
| 259 | S | 69.3 | Low | 70.6 | Confident | 66 Ų | 66 | 74.9 Ų | 74.9 | 46% | 0.462 | 40% | 0.399 | S | S | . | . | trans | -61.4 | 146.5 | 173.6 | 71.3 | 0 | 0 | 0 | 0 | 110.2 | E261 V262 L263 | S259-E261 PolarHBondContact O-N 2.77Å; S259-E261 VanDerWaalsContact O-N 3.08Å; S259-V262 PolarHBondContact O-N 3.25Å; S259-V262 VanDerWaalsContact O-N 3.09Å; S259-V262 WeakPolarHBondContact OG-CG2 3.21Å; S259-L263 PolarHBondContact O-N 2.9Å | ||
| 260 | Q | 70.5 | Confident | 71.3 | Confident | 176 Ų | 176 | 73.9 Ų | 73.9 | 82% | 0.822 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -58.1 | -25.9 | -179.4 | -70 | -167.3 | -7.5 | 0 | 0 | 112.5 | R264 | Q260-R264 WeakPolarHBondContact O-CB 3.38Å; Q260-R264 PolarHBondContact O-N 3.04Å |
| 261 | E | 71.5 | Confident | 71.8 | Confident | 109 Ų | 109 | 81 Ų | 81 | 51% | 0.509 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -71.2 | -39.4 | 178 | -167.5 | 168.7 | -165.2 | 0 | 0 | 113 | S259 R264 K265 | S259-E261 PolarHBondContact O-N 2.77Å; S259-E261 VanDerWaalsContact O-N 3.08Å; E261-R264 WeakPolarHBondContact O-CB 3.46Å; E261-R264 PolarHBondContact O-N 3.03Å; E261-K265 WeakPolarHBondContact O-CG 3.23Å; E261-K265 PolarHBondContact O-N 3.43Å |
| 262 | V | 76.7 | Confident | 72.1 | Confident | 48 Ų | 48 | 85.9 Ų | 85.9 | 29% | 0.291 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 175.4 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | S259 R264 K265 W266 | S259-V262 PolarHBondContact O-N 3.25Å; S259-V262 VanDerWaalsContact O-N 3.09Å; S259-V262 WeakPolarHBondContact OG-CG2 3.21Å; V262-R264 VanDerWaalsContact C-N 3.31Å; V262-R264 PolarHBondContact O-N 3.29Å; V262-K265 PolarHBondContact O-N 2.87Å; V262-W266 HydrophobicContact CG1-CD2 3.92Å; V262-W266 VanDerWaalsContact CG1-CE2 3.48Å; V262-W266 HydrophobicContact CG1-CE3 4.14Å; V262-W266 HydrophobicContact CG1-CH2 3.57Å; V262-W266 HydrophobicContact CG1-CZ2 3.29Å; V262-W266 HydrophobicContact CG1-CZ3 3.99Å; V262-W266 PolarHBondContact O-N 3.08Å |
| 263 | L | 75.6 | Confident | 72.4 | Confident | 56 Ų | 56 | 88.2 Ų | 88.2 | 29% | 0.293 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 174.5 | -66.4 | 176.2 | 0 | 0 | 0 | 112.2 | F258 S259 W266 K267 V290 | F258-L263 HydrophobicContact CB-CD2 4.24Å; F258-L263 HydrophobicContact CB-CG 4.19Å; S259-L263 PolarHBondContact O-N 2.9Å; L263-W266 HydrophobicContact CD2-CE3 4.02Å; L263-W266 HydrophobicContact CD2-CZ3 4.11Å; L263-K267 VanDerWaalsContact O-CB 3.28Å; L263-K267 WeakPolarHBondContact O-CB 3.47Å; L263-K267 PolarHBondContact O-N 3.45Å; L263-V290 HydrophobicContact CD2-CG1 4.17Å |
| 264 | R | 78.3 | Confident | 73.1 | Confident | 153 Ų | 153 | 96 Ų | 96 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.5 | -42.2 | 175.6 | -170.2 | 178.3 | 69.3 | 148.8 | -1.2 | 111.3 | Q260 E261 V262 K267 N268 | Q260-R264 WeakPolarHBondContact O-CB 3.38Å; Q260-R264 PolarHBondContact O-N 3.04Å; E261-R264 WeakPolarHBondContact O-CB 3.46Å; E261-R264 PolarHBondContact O-N 3.03Å; V262-R264 VanDerWaalsContact C-N 3.31Å; V262-R264 PolarHBondContact O-N 3.29Å; R264-K267 PolarHBondContact O-N 3.12Å; R264-N268 VanDerWaalsContact O-CG 3.31Å; R264-N268 PolarHBondContact O-N 2.85Å |
| 265 | K | 81 | Confident | 74.4 | Confident | 128 Ų | 128 | 98.8 Ų | 98.8 | 56% | 0.557 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61 | -51.7 | 176 | -73.1 | 178.1 | -177.9 | 179.9 | 0 | 111.4 | E261 V262 K267 N268 E269 | E261-K265 WeakPolarHBondContact O-CG 3.23Å; E261-K265 PolarHBondContact O-N 3.43Å; V262-K265 PolarHBondContact O-N 2.87Å; K265-K267 VanDerWaalsContact C-N 3.31Å; K265-K267 PolarHBondContact O-N 3.09Å; K265-N268 PolarHBondContact O-N 2.94Å; K265-N268 VanDerWaalsContact O-N 3.11Å; K265-E269 WeakPolarHBondContact O-CB 3.41Å; K265-E269 PolarHBondContact O-N 2.82Å |
| 266 | W | 85.4 | Confident | 76 | Confident | 22 Ų | 22 | 94 Ų | 94 | 8% | 0.083 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.9 | -35.6 | 177.1 | -62.2 | -25.3 | 0 | 0 | 0 | 113.1 | F258 V262 L263 N268 E269 V270 V276 P279 V290 L293 L297 | F258-W266 AromaticContact CD1-CH2 3.69Å; F258-W266 HydrophobicContact CD1-CH2 3.69Å; F258-W266 HydrophobicContact CD1-CZ3 4.11Å; F258-W266 AromaticContact CE1-CH2 3.78Å; F258-W266 HydrophobicContact CE1-CH2 3.78Å; F258-W266 HydrophobicContact CE1-CZ3 4.35Å; F258-W266 HydrophobicContact CG-CH2 4.26Å; F258-W266 HydrophobicContact CG-CZ3 4.21Å; F258-W266 HydrophobicContact CZ-CH2 4.39Å; V262-W266 HydrophobicContact CG1-CD2 3.92Å; V262-W266 VanDerWaalsContact CG1-CE2 3.48Å; V262-W266 HydrophobicContact CG1-CE3 4.14Å; V262-W266 HydrophobicContact CG1-CH2 3.57Å; V262-W266 HydrophobicContact CG1-CZ2 3.29Å; V262-W266 HydrophobicContact CG1-CZ3 3.99Å; V262-W266 PolarHBondContact O-N 3.08Å; L263-W266 HydrophobicContact CD2-CE3 4.02Å; L263-W266 HydrophobicContact CD2-CZ3 4.11Å; W266-N268 VanDerWaalsContact C-N 3.32Å; W266-N268 PolarHBondContact O-N 3.48Å; W266-E269 PolarHBondContact O-N 3.37Å; W266-V270 WeakPolarHBondContact O-CB 3.39Å; W266-V270 VanDerWaalsContact O-CG2 3.28Å; W266-V270 WeakPolarHBondContact O-CG2 3.39Å; W266-V270 PolarHBondContact O-N 3.26Å; W266-V276 HydrophobicContact CB-CG2 4.25Å; W266-V276 HydrophobicContact CG-CG2 4.12Å; W266-P279 HydrophobicContact CZ2-CG 4.01Å; W266-V290 HydrophobicContact CB-CG1 4.49Å; W266-V290 HydrophobicContact CB-CG2 4.14Å; W266-V290 HydrophobicContact CE3-CG1 4.35Å; W266-L293 HydrophobicContact CD2-CD2 3.71Å; W266-L293 HydrophobicContact CE3-CD2 3.94Å; W266-L293 HydrophobicContact CG-CD2 4.05Å; W266-L293 HydrophobicContact CZ2-CD2 4.33Å; W266-L293 HydrophobicContact CZ3-CD2 4.35Å; W266-L297 HydrophobicContact CH2-CD1 3.47Å; W266-L297 VanDerWaalsContact CH2-CD1 3.47Å; W266-L297 HydrophobicContact CZ2-CD1 4.19Å; W266-L297 HydrophobicContact CZ3-CD1 3.99Å |
| 267 | K | 82.8 | Confident | 77.3 | Confident | 125 Ų | 125 | 97.8 Ų | 97.8 | 54% | 0.543 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 175.4 | -168.5 | 175.2 | -173.9 | 177.5 | 0 | 111.7 | L263 R264 K265 K271 V290 | L263-K267 VanDerWaalsContact O-CB 3.28Å; L263-K267 WeakPolarHBondContact O-CB 3.47Å; L263-K267 PolarHBondContact O-N 3.45Å; R264-K267 PolarHBondContact O-N 3.12Å; K265-K267 VanDerWaalsContact C-N 3.31Å; K265-K267 PolarHBondContact O-N 3.09Å; K267-K271 WeakPolarHBondContact O-CB 3.37Å; K267-K271 VanDerWaalsContact O-CG 3.26Å; K267-K271 WeakPolarHBondContact O-CG 3.22Å; K267-K271 PolarHBondContact O-N 3.14Å; K267-K271 VanDerWaalsContact O-N 3.07Å; K267-V290 HydrophobicContact CB-CG2 4.27Å |
| 268 | N | 82.1 | Confident | 78.5 | Confident | 85 Ų | 85 | 93.2 Ų | 93.2 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.4 | -37.6 | 174.9 | -71.6 | -12.6 | 0 | 0 | 0 | 111.7 | R264 K265 W266 K271 L272 | R264-N268 VanDerWaalsContact O-CG 3.31Å; R264-N268 PolarHBondContact O-N 2.85Å; K265-N268 PolarHBondContact O-N 2.94Å; K265-N268 VanDerWaalsContact O-N 3.11Å; W266-N268 VanDerWaalsContact C-N 3.32Å; W266-N268 PolarHBondContact O-N 3.48Å; N268-K271 WeakPolarHBondContact O-CB 3.16Å; N268-K271 PolarHBondContact O-N 3.31Å; N268-L272 WeakPolarHBondContact O-CB 3.48Å; N268-L272 PolarHBondContact O-N 2.86Å |
| 269 | E | 82.4 | Confident | 79.2 | Confident | 74 Ų | 74 | 95 Ų | 95 | 35% | 0.346 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 176.6 | -163.5 | 171.5 | 176.2 | 0 | 0 | 111.9 | K265 W266 K271 L272 Q273 | K265-E269 WeakPolarHBondContact O-CB 3.41Å; K265-E269 PolarHBondContact O-N 2.82Å; W266-E269 PolarHBondContact O-N 3.37Å; E269-K271 VanDerWaalsContact C-N 3.28Å; E269-K271 PolarHBondContact O-N 2.98Å; E269-L272 PolarHBondContact O-N 3.19Å; E269-Q273 HydrophobicContact CG-CG 4.45Å; E269-Q273 WeakPolarHBondContact O-CA 3.11Å; E269-Q273 WeakPolarHBondContact O-CB 3.45Å; E269-Q273 PolarHBondContact O-N 2.96Å |
| 270 | V | 84.9 | Confident | 79.2 | Confident | 30 Ų | 30 | 92.3 Ų | 92.3 | 18% | 0.182 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.8 | -35.3 | 170.6 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | W266 R274 V276 T288 V290 | W266-V270 WeakPolarHBondContact O-CB 3.39Å; W266-V270 VanDerWaalsContact O-CG2 3.28Å; W266-V270 WeakPolarHBondContact O-CG2 3.39Å; W266-V270 PolarHBondContact O-N 3.26Å; V270-R274 WeakPolarHBondContact O-CA 3.29Å; V270-R274 PolarHBondContact O-N 3.37Å; V270-R274 VanDerWaalsContact O-N 3.12Å; V270-V276 HydrophobicContact CG2-CB 3.91Å; V270-V276 HydrophobicContact CG2-CG1 3.75Å; V270-T288 WeakPolarHBondContact CG1-O 3.37Å; V270-V290 HydrophobicContact CG2-CG2 4Å |
| 271 | K | 81.3 | Confident | 78.9 | Confident | 151 Ų | 151 | 92.9 Ų | 92.9 | 66% | 0.657 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -69.5 | -40.5 | 176.1 | -80.1 | 175.8 | 175.5 | -170.3 | 0 | 112.8 | K267 N268 E269 | K267-K271 WeakPolarHBondContact O-CB 3.37Å; K267-K271 VanDerWaalsContact O-CG 3.26Å; K267-K271 WeakPolarHBondContact O-CG 3.22Å; K267-K271 PolarHBondContact O-N 3.14Å; K267-K271 VanDerWaalsContact O-N 3.07Å; N268-K271 WeakPolarHBondContact O-CB 3.16Å; N268-K271 PolarHBondContact O-N 3.31Å; E269-K271 VanDerWaalsContact C-N 3.28Å; E269-K271 PolarHBondContact O-N 2.98Å |
| 272 | L | 80.7 | Confident | 78.6 | Confident | 143 Ų | 143 | 90 Ų | 90 | 75% | 0.749 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -86.5 | -46.5 | -173.6 | -172.3 | 65.1 | 0 | 0 | 0 | 112.2 | N268 E269 | N268-L272 WeakPolarHBondContact O-CB 3.48Å; N268-L272 PolarHBondContact O-N 2.86Å; E269-L272 PolarHBondContact O-N 3.19Å |
| 273 | Q | 74.5 | Confident | 78.5 | Confident | 125 Ų | 125 | 88.4 Ų | 88.4 | 58% | 0.584 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -101.4 | -5 | -173.2 | -61.1 | -64.4 | -25.6 | 0 | 0 | 113 | E269 K275 | E269-Q273 HydrophobicContact CG-CG 4.45Å; E269-Q273 WeakPolarHBondContact O-CA 3.11Å; E269-Q273 WeakPolarHBondContact O-CB 3.45Å; E269-Q273 PolarHBondContact O-N 2.96Å; Q273-K275 PolarHBondContact O-N 3.47Å |
| 274 | R | 79.8 | Confident | 78.6 | Confident | 200 Ų | 200 | 92.8 Ų | 92.8 | 76% | 0.755 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 57.1 | 3 | -172.7 | -63.5 | -172.6 | 174.1 | -164.6 | -0.2 | 114.9 | V270 T288 | V270-R274 WeakPolarHBondContact O-CA 3.29Å; V270-R274 PolarHBondContact O-N 3.37Å; V270-R274 VanDerWaalsContact O-N 3.12Å; R274-T288 WeakPolarHBondContact O-CA 3.34Å |
| 275 | K | 82.4 | Confident | 78.6 | Confident | 120 Ų | 120 | 87.9 Ų | 87.9 | 52% | 0.522 | 43% | 0.433 | S | S | . | . | trans | -149.4 | 142.4 | -170.1 | -66.9 | -174.5 | -173.5 | -176.1 | 0 | 108.6 | Q273 T286 Y287 | Q273-K275 PolarHBondContact O-N 3.47Å; K275-T286 HydrophobicContact CB-CG2 3.64Å; K275-T286 HydrophobicContact CD-CG2 4.09Å; K275-T286 HydrophobicContact CG-CG2 4.16Å; K275-Y287 CarbonylContact C-O 3.47Å; K275-Y287 VanDerWaalsContact CA-O 3.25Å; K275-Y287 WeakPolarHBondContact CA-O 3.31Å | ||
| 276 | V | 85 | Confident | 78.8 | Confident | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 134.6 | 175.1 | 64 | 0 | 0 | 0 | 0 | 108.8 | W266 V270 T286 Y287 L293 | W266-V276 HydrophobicContact CB-CG2 4.25Å; W266-V276 HydrophobicContact CG-CG2 4.12Å; V270-V276 HydrophobicContact CG2-CB 3.91Å; V270-V276 HydrophobicContact CG2-CG1 3.75Å; V276-T286 CarbonylContact O-C 3.48Å; V276-T286 WeakPolarHBondContact O-CA 3.39Å; V276-Y287 PolarHBondContact N-O 2.92Å; V276-Y287 PolarHBondContact O-N 2.85Å; V276-L293 HydrophobicContact CB-CD2 4.29Å; V276-L293 HydrophobicContact CG1-CB 3.97Å; V276-L293 HydrophobicContact CG1-CD2 3.67Å; V276-L293 HydrophobicContact CG1-CG 4.36Å; V276-L293 HydrophobicContact CG2-CD2 3.61Å |
| 277 | H | 81.4 | Confident | 78.7 | Confident | 106 Ų | 106 | 86.5 Ų | 86.5 | 49% | 0.491 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 155.1 | -179.9 | -63.7 | 85.3 | 0 | 0 | 0 | 110.9 | T286 | H277-T286 PolarHBondContact CD2-OG1 3.04Å; H277-T286 PolarHBondContact NE2-OG1 3.32Å |
| 278 | C | 80.3 | Confident | 78.8 | Confident | 12 Ų | 12 | 85.4 Ų | 85.4 | 8% | 0.081 | 44% | 0.435 | C | S | . | . | trans | -64.5 | 128.7 | 171.2 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | N280 C283 C285 L293 H296 | C278-N280 PolarHBondContact O-N 3.39Å; C278-C283 HydrophobicContact CB-CB 3.93Å; C278-C285 PolarHBondContact N-O 3.29Å; C278-L293 HydrophobicContact CB-CD1 4.45Å; C278-H296 VanDerWaalsContact SG-CD2 3.53Å; C278-H296 PolarHBondContact SG-NE2 3.4Å | ||
| 279 | P | 76.9 | Confident | 78.7 | Confident | 65 Ų | 65 | 83.7 Ų | 83.7 | 42% | 0.422 | 43% | 0.43 | S | S | . | . | trans | -72.3 | -5.9 | 177 | 30.8 | -38.6 | 0 | 0 | 0 | 113.8 | W266 L297 | W266-P279 HydrophobicContact CZ2-CG 4.01Å; P279-L297 HydrophobicContact CG-CD1 4.37Å; P279-L297 HydrophobicContact CG-CD2 3.96Å | ||
| 280 | N | 69.4 | Low | 78.6 | Confident | 10 Ų | 10 | 81.7 Ų | 81.7 | 5% | 0.053 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -81.3 | 126.5 | -177.4 | -67.8 | -13 | 0 | 0 | 0 | 111 | C278 G282 C283 C300 F305 | C278-N280 PolarHBondContact O-N 3.39Å; N280-G282 PolarHBondContact O-N 2.95Å; N280-C283 HydrophobicContact CB-CB 4.14Å; N280-C283 PolarHBondContact O-N 3.44Å; N280-C300 WeakPolarHBondContact ND2-CB 3.31Å; N280-C300 PolarHBondContact ND2-SG 2.87Å; N280-F305 WeakPolarHBondContact OD1-CD2 2.88Å |
| 281 | Q | 63.8 | Low | 78.2 | Confident | 189 Ų | 189 | 84.8 Ų | 84.8 | 88% | 0.883 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 121 | 178.3 | -63.4 | -166.1 | 43.5 | 0 | 0 | 110.5 | K302 | Q281-K302 VanDerWaalsContact O-O 3.1Š|
| 282 | G | 65.1 | Low | 78.1 | Confident | 49 Ų | 49 | 78.6 Ų | 78.6 | 51% | 0.505 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | 6.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N280 K302 | N280-G282 PolarHBondContact O-N 2.95Å; G282-K302 WeakPolarHBondContact O-CD 3.37Å; G282-K302 PolarHBondContact O-NZ 2.75Å |
| 283 | C | 75.9 | Confident | 78.1 | Confident | 13 Ų | 13 | 71.8 Ų | 71.8 | 9% | 0.088 | 39% | 0.389 | C | S | . | . | trans | -113.3 | 107.2 | 171.3 | -171.4 | 0 | 0 | 0 | 0 | 112.5 | C278 N280 C285 H296 K302 | C278-C283 HydrophobicContact CB-CB 3.93Å; N280-C283 HydrophobicContact CB-CB 4.14Å; N280-C283 PolarHBondContact O-N 3.44Å; C283-C285 PolarHBondContact O-N 3.3Å; C283-H296 PolarHBondContact SG-CE1 3.21Å; C283-H296 PolarHBondContact SG-NE2 2.87Å; C283-K302 HydrophobicContact CB-CB 4.47Å; C283-K302 HydrophobicContact CB-CD 4.48Å | ||
| 284 | D | 77.7 | Confident | 78.1 | Confident | 149 Ų | 149 | 69.2 Ų | 69.2 | 80% | 0.797 | 38% | 0.376 | S | S | * | . | trans | -88.3 | 21 | 179.6 | -53 | -50.5 | 0 | 0 | 0 | 113.5 | T286 | D284-T286 PolarHBondContact O-N 3.14Š| ||
| 285 | C | 77.9 | Confident | 77.7 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 33% | 0.331 | 36% | 0.364 | S | S | . | . | trans | -76.5 | 124.4 | -177.4 | -65.2 | 0 | 0 | 0 | 0 | 111.4 | C278 C283 Y287 | C278-C285 PolarHBondContact N-O 3.29Å; C283-C285 PolarHBondContact O-N 3.3Å; C285-Y287 HydrophobicContact CB-CE2 3.6Å | ||
| 286 | T | 84.9 | Confident | 77.4 | Confident | 61 Ų | 61 | 58.2 Ų | 58.2 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 136.8 | 177 | -45.3 | 0 | 0 | 0 | 0 | 111.3 | K275 V276 H277 D284 | K275-T286 HydrophobicContact CB-CG2 3.64Å; K275-T286 HydrophobicContact CD-CG2 4.09Å; K275-T286 HydrophobicContact CG-CG2 4.16Å; V276-T286 CarbonylContact O-C 3.48Å; V276-T286 WeakPolarHBondContact O-CA 3.39Å; H277-T286 PolarHBondContact CD2-OG1 3.04Å; H277-T286 PolarHBondContact NE2-OG1 3.32Å; D284-T286 PolarHBondContact O-N 3.14Å |
| 287 | Y | 84.6 | Confident | 76.8 | Confident | 61 Ų | 61 | 58.2 Ų | 58.2 | 24% | 0.239 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 146.5 | -178.1 | -65.4 | -81.8 | 0 | 0 | 0 | 112 | K275 V276 C285 L293 H296 | K275-Y287 CarbonylContact C-O 3.47Å; K275-Y287 VanDerWaalsContact CA-O 3.25Å; K275-Y287 WeakPolarHBondContact CA-O 3.31Å; V276-Y287 PolarHBondContact N-O 2.92Å; V276-Y287 PolarHBondContact O-N 2.85Å; C285-Y287 HydrophobicContact CB-CE2 3.6Å; Y287-L293 HydrophobicContact CD2-CB 4.09Å; Y287-L293 HydrophobicContact CD2-CD1 3.9Å; Y287-L293 HydrophobicContact CE2-CD1 4.35Å; Y287-L293 HydrophobicContact CG-CB 4.25Å; Y287-H296 HydrophobicContact CD2-CB 4.48Å; Y287-H296 HydrophobicContact CE1-CB 4.13Å; Y287-H296 HydrophobicContact CE2-CB 3.56Å; Y287-H296 AromaticContact CE2-CD2 3.77Å; Y287-H296 AromaticContact CE2-CG 3.49Å; Y287-H296 VanDerWaalsContact CE2-CG 3.49Å; Y287-H296 AromaticContact CZ-CG 3.51Å; Y287-H296 AromaticContact CZ-ND1 3.78Å; Y287-H296 VanDerWaalsContact OH-CB 3.28Å; Y287-H296 WeakPolarHBondContact OH-CB 3.47Å; Y287-H296 PolarHBondContact OH-ND1 3.05Å |
| 288 | T | 83.9 | Confident | 76.1 | Confident | 102 Ų | 102 | 54.4 Ų | 54.4 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -91.1 | 0.2 | 176 | 53 | 0 | 0 | 0 | 0 | 113.2 | V270 R274 | V270-T288 WeakPolarHBondContact CG1-O 3.37Å; R274-T288 WeakPolarHBondContact O-CA 3.34Å |
| 289 | S | 80.1 | Confident | 75.3 | Confident | 49 Ų | 49 | 59.9 Ų | 59.9 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -146.7 | 146.7 | -179.3 | 67.7 | 0 | 0 | 0 | 0 | 112 | S291 G292 L293 | S289-S291 VanDerWaalsContact C-N 3.26Å; S289-S291 PolarHBondContact O-N 2.92Å; S289-G292 PolarHBondContact O-N 2.71Å; S289-G292 PolarHBondContact OG-N 3.47Å; S289-G292 VanDerWaalsContact OG-N 3.13Å; S289-L293 PolarHBondContact O-N 3.07Å; S289-L293 VanDerWaalsContact O-N 3.09Å |
| 290 | V | 79.4 | Confident | 74.8 | Confident | 32 Ų | 32 | 57.3 Ų | 57.3 | 19% | 0.194 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.9 | -35.2 | 176 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | L263 W266 K267 V270 L293 K294 | L263-V290 HydrophobicContact CD2-CG1 4.17Å; W266-V290 HydrophobicContact CB-CG1 4.49Å; W266-V290 HydrophobicContact CB-CG2 4.14Å; W266-V290 HydrophobicContact CE3-CG1 4.35Å; K267-V290 HydrophobicContact CB-CG2 4.27Å; V270-V290 HydrophobicContact CG2-CG2 4Å; V290-L293 PolarHBondContact O-N 3.17Å; V290-K294 VanDerWaalsContact O-CB 3.27Å; V290-K294 WeakPolarHBondContact O-CB 3.25Å; V290-K294 PolarHBondContact O-N 3.23Å |
| 291 | S | 77.6 | Confident | 74.5 | Confident | 94 Ų | 94 | 63.4 Ų | 63.4 | 66% | 0.657 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.6 | -40 | 175.4 | -54.2 | 0 | 0 | 0 | 0 | 112.3 | S289 K294 A295 | S289-S291 VanDerWaalsContact C-N 3.26Å; S289-S291 PolarHBondContact O-N 2.92Å; S291-K294 PolarHBondContact O-N 3.43Å; S291-A295 PolarHBondContact O-N 3.38Å |
| 292 | G | 79.6 | Confident | 74.4 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 22% | 0.216 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S289 K294 A295 H296 | S289-G292 PolarHBondContact O-N 2.71Å; S289-G292 PolarHBondContact OG-N 3.47Å; S289-G292 VanDerWaalsContact OG-N 3.13Å; G292-K294 PolarHBondContact O-N 3.15Å; G292-A295 PolarHBondContact O-N 3.33Å; G292-H296 PolarHBondContact O-N 3.37Å |
| 293 | L | 79 | Confident | 74.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 173.9 | 176 | 61.5 | 0 | 0 | 0 | 111.6 | W266 V276 C278 Y287 S289 V290 A295 H296 L297 | W266-L293 HydrophobicContact CD2-CD2 3.71Å; W266-L293 HydrophobicContact CE3-CD2 3.94Å; W266-L293 HydrophobicContact CG-CD2 4.05Å; W266-L293 HydrophobicContact CZ2-CD2 4.33Å; W266-L293 HydrophobicContact CZ3-CD2 4.35Å; V276-L293 HydrophobicContact CB-CD2 4.29Å; V276-L293 HydrophobicContact CG1-CB 3.97Å; V276-L293 HydrophobicContact CG1-CD2 3.67Å; V276-L293 HydrophobicContact CG1-CG 4.36Å; V276-L293 HydrophobicContact CG2-CD2 3.61Å; C278-L293 HydrophobicContact CB-CD1 4.45Å; Y287-L293 HydrophobicContact CD2-CB 4.09Å; Y287-L293 HydrophobicContact CD2-CD1 3.9Å; Y287-L293 HydrophobicContact CE2-CD1 4.35Å; Y287-L293 HydrophobicContact CG-CB 4.25Å; S289-L293 PolarHBondContact O-N 3.07Å; S289-L293 VanDerWaalsContact O-N 3.09Å; V290-L293 PolarHBondContact O-N 3.17Å; L293-A295 VanDerWaalsContact C-N 3.35Å; L293-A295 PolarHBondContact O-N 3.42Å; L293-H296 WeakPolarHBondContact O-CB 3.46Å; L293-H296 PolarHBondContact O-N 3.38Å; L293-L297 HydrophobicContact CD1-CD1 4.22Å; L293-L297 HydrophobicContact CD1-CG 4.15Å; L293-L297 HydrophobicContact CG-CD1 4.06Å; L293-L297 HydrophobicContact CG-CG 4.43Å; L293-L297 WeakPolarHBondContact O-CG 3.28Å; L293-L297 PolarHBondContact O-N 3.32Å |
| 294 | K | 74.6 | Confident | 72.7 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 31% | 0.313 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 178.4 | -174.7 | 175 | -177.6 | -179 | 0 | 112.6 | L255 F258 V290 S291 G292 G298 | L255-K294 HydrophobicContact CD2-CD 4.33Å; L255-K294 HydrophobicContact CD2-CG 3.88Å; F258-K294 HydrophobicContact CE2-CG 4.18Å; V290-K294 VanDerWaalsContact O-CB 3.27Å; V290-K294 WeakPolarHBondContact O-CB 3.25Å; V290-K294 PolarHBondContact O-N 3.23Å; S291-K294 PolarHBondContact O-N 3.43Å; G292-K294 PolarHBondContact O-N 3.15Å; K294-G298 PolarHBondContact O-N 2.76Å |
| 295 | A | 72.9 | Confident | 71.6 | Confident | 61 Ų | 61 | 65.1 Ų | 65.1 | 50% | 0.504 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S291 G292 L293 G298 | S291-A295 PolarHBondContact O-N 3.38Å; G292-A295 PolarHBondContact O-N 3.33Å; L293-A295 VanDerWaalsContact C-N 3.35Å; L293-A295 PolarHBondContact O-N 3.42Å; A295-G298 PolarHBondContact O-N 2.9Å |
| 296 | H | 75.6 | Confident | 70.2 | Confident | 28 Ų | 28 | 71.3 Ų | 71.3 | 13% | 0.13 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 175.2 | 169.9 | 78.1 | 0 | 0 | 0 | 112.5 | C278 C283 Y287 G292 L293 G298 L299 C300 | C278-H296 VanDerWaalsContact SG-CD2 3.53Å; C278-H296 PolarHBondContact SG-NE2 3.4Å; C283-H296 PolarHBondContact SG-CE1 3.21Å; C283-H296 PolarHBondContact SG-NE2 2.87Å; Y287-H296 HydrophobicContact CD2-CB 4.48Å; Y287-H296 HydrophobicContact CE1-CB 4.13Å; Y287-H296 HydrophobicContact CE2-CB 3.56Å; Y287-H296 AromaticContact CE2-CD2 3.77Å; Y287-H296 AromaticContact CE2-CG 3.49Å; Y287-H296 VanDerWaalsContact CE2-CG 3.49Å; Y287-H296 AromaticContact CZ-CG 3.51Å; Y287-H296 AromaticContact CZ-ND1 3.78Å; Y287-H296 VanDerWaalsContact OH-CB 3.28Å; Y287-H296 WeakPolarHBondContact OH-CB 3.47Å; Y287-H296 PolarHBondContact OH-ND1 3.05Å; G292-H296 PolarHBondContact O-N 3.37Å; L293-H296 WeakPolarHBondContact O-CB 3.46Å; L293-H296 PolarHBondContact O-N 3.38Å; H296-G298 PolarHBondContact O-N 3.47Å; H296-L299 CarbonylContact O-C 3.56Å; H296-L299 PolarHBondContact O-N 3.41Å; H296-C300 PolarHBondContact NE2-SG 2.8Å; H296-C300 VanDerWaalsContact NE2-SG 3.42Å; H296-C300 WeakPolarHBondContact O-CB 3.46Å; H296-C300 PolarHBondContact O-N 3.47Å |
| 297 | L | 71.6 | Confident | 68.8 | Low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.4 | -30.3 | 179.9 | -74.6 | 172.1 | 0 | 0 | 0 | 113.3 | F258 W266 P279 L293 L299 | F258-L297 HydrophobicContact CE1-CD1 3.83Å; F258-L297 HydrophobicContact CE2-CD1 4.49Å; F258-L297 HydrophobicContact CZ-CB 4.01Å; F258-L297 HydrophobicContact CZ-CD1 3.61Å; F258-L297 HydrophobicContact CZ-CG 4.43Å; W266-L297 HydrophobicContact CH2-CD1 3.47Å; W266-L297 VanDerWaalsContact CH2-CD1 3.47Å; W266-L297 HydrophobicContact CZ2-CD1 4.19Å; W266-L297 HydrophobicContact CZ3-CD1 3.99Å; P279-L297 HydrophobicContact CG-CD1 4.37Å; P279-L297 HydrophobicContact CG-CD2 3.96Å; L293-L297 HydrophobicContact CD1-CD1 4.22Å; L293-L297 HydrophobicContact CD1-CG 4.15Å; L293-L297 HydrophobicContact CG-CD1 4.06Å; L293-L297 HydrophobicContact CG-CG 4.43Å; L293-L297 WeakPolarHBondContact O-CG 3.28Å; L293-L297 PolarHBondContact O-N 3.32Å; L297-L299 PolarHBondContact O-N 3.36Å |
| 298 | G | 67.4 | Low | 67.6 | Low | 25 Ų | 25 | 69.1 Ų | 69.1 | 26% | 0.258 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -10.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K294 A295 H296 A307 | K294-G298 PolarHBondContact O-N 2.76Å; A295-G298 PolarHBondContact O-N 2.9Å; H296-G298 PolarHBondContact O-N 3.47Å; G298-A307 VanDerWaalsContact O-CB 3.3Å; G298-A307 WeakPolarHBondContact O-CB 3.31Å |
| 299 | L | 63.5 | Low | 67 | Low | 127 Ų | 127 | 69.7 Ų | 69.7 | 67% | 0.665 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.4 | -3.1 | -178.4 | -61.8 | 173.9 | 0 | 0 | 0 | 112.6 | H296 L297 T301 | H296-L299 CarbonylContact O-C 3.56Å; H296-L299 PolarHBondContact O-N 3.41Å; L297-L299 PolarHBondContact O-N 3.36Å; L299-T301 PolarHBondContact O-N 3.13Å |
| 300 | C | 67.1 | Low | 66.9 | Low | 12 Ų | 12 | 69.1 Ų | 69.1 | 8% | 0.081 | 39% | 0.389 | C | S | . | . | trans | -78.2 | 111.5 | -174.7 | -169.8 | 0 | 0 | 0 | 0 | 109.6 | N280 H296 K302 | N280-C300 WeakPolarHBondContact ND2-CB 3.31Å; N280-C300 PolarHBondContact ND2-SG 2.87Å; H296-C300 PolarHBondContact NE2-SG 2.8Å; H296-C300 VanDerWaalsContact NE2-SG 3.42Å; H296-C300 WeakPolarHBondContact O-CB 3.46Å; H296-C300 PolarHBondContact O-N 3.47Å; C300-K302 PolarHBondContact O-N 3.46Å | ||
| 301 | T | 62.1 | Low | 66.8 | Low | 137 Ų | 137 | 72.7 Ų | 72.7 | 84% | 0.84 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -1.3 | -178.7 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | L299 | L299-T301 PolarHBondContact O-N 3.13Š|
| 302 | K | 62.7 | Low | 67.1 | Low | 127 Ų | 127 | 68.2 Ų | 68.2 | 55% | 0.552 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 15 | -169.2 | -60 | -170.1 | 176.7 | -177.1 | 0 | 114.3 | Q281 G282 C283 C300 | Q281-K302 VanDerWaalsContact O-O 3.1Å; G282-K302 WeakPolarHBondContact O-CD 3.37Å; G282-K302 PolarHBondContact O-NZ 2.75Å; C283-K302 HydrophobicContact CB-CB 4.47Å; C283-K302 HydrophobicContact CB-CD 4.48Å; C300-K302 PolarHBondContact O-N 3.46Å |
| 303 | G | 57 | Low | 67.2 | Low | 28 Ų | 28 | 71.9 Ų | 71.9 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -145.1 | 165.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F305 | G303-F305 PolarHBondContact O-N 3.18Å; G303-F305 VanDerWaalsContact O-N 3.09Å |
| 304 | E | 48.3 | Very low | 67.2 | Low | 198 Ų | 198 | 75.6 Ų | 75.6 | 93% | 0.925 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -69 | 6.1 | -179.8 | -84.9 | -171.9 | 149.8 | 0 | 0 | 115 | E306 | E304-E306 PolarHBondContact O-N 3.42Š|
| 305 | F | 53.4 | Low | 67.5 | Low | 83 Ų | 83 | 74.4 Ų | 74.4 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -84.5 | 93 | 166.4 | -65.6 | -79 | 0 | 0 | 0 | 107.3 | P256 F258 N280 G303 A307 | P256-F305 HydrophobicContact CB-CD1 4.19Å; P256-F305 HydrophobicContact CG-CB 4.5Å; F258-F305 HydrophobicContact CD1-CE1 4.47Å; F258-F305 HydrophobicContact CE1-CD1 4.21Å; F258-F305 HydrophobicContact CE1-CE1 4.07Å; F258-F305 HydrophobicContact CE1-CZ 4.4Å; N280-F305 WeakPolarHBondContact OD1-CD2 2.88Å; G303-F305 PolarHBondContact O-N 3.18Å; G303-F305 VanDerWaalsContact O-N 3.09Å; F305-A307 VanDerWaalsContact C-N 3.32Å; F305-A307 PolarHBondContact O-N 2.9Å |
| 306 | E | 49.8 | Very low | 67.9 | Low | 179 Ų | 179 | 76.2 Ų | 76.2 | 84% | 0.836 | 40% | 0.402 | S | S | * | . | trans | -52.2 | 101 | 168 | -73.7 | -175.4 | 156.1 | 0 | 0 | 108.3 | E304 G308 | E304-E306 PolarHBondContact O-N 3.42Å; E306-G308 PolarHBondContact O-N 2.86Å | ||
| 307 | A | 55.1 | Low | 68 | Low | 46 Ų | 46 | 80.8 Ų | 80.8 | 38% | 0.38 | 42% | 0.421 | S | S | . | . | trans | -54.8 | 108.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 105.2 | G298 F305 | G298-A307 VanDerWaalsContact O-CB 3.3Å; G298-A307 WeakPolarHBondContact O-CB 3.31Å; F305-A307 VanDerWaalsContact C-N 3.32Å; F305-A307 PolarHBondContact O-N 2.9Å | ||
| 308 | G | 59.6 | Low | 68.5 | Low | 31 Ų | 31 | 84.9 Ų | 84.9 | 32% | 0.32 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 157.6 | -179 | 0 | 0 | 0 | 0 | 0 | 109.7 | P253 E306 | P253-G308 VanDerWaalsContact CB-C 3.42Å; P253-G308 WeakPolarHBondContact CB-O 3.26Å; P253-G308 WeakPolarHBondContact CG-O 3.49Å; E306-G308 PolarHBondContact O-N 2.86Å |
| 309 | K | 71.2 | Confident | 69 | Low | 113 Ų | 113 | 85.7 Ų | 85.7 | 49% | 0.491 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -90 | 140.9 | -177.3 | -59.6 | 173.5 | -168.5 | 167.8 | 0 | 110.2 | R311 E318 F319 | K309-R311 PolarHBondContact O-N 3.22Å; K309-E318 HydrophobicContact CB-CB 3.87Å; K309-E318 HydrophobicContact CB-CG 4.48Å; K309-E318 HydrophobicContact CD-CB 3.78Å; K309-E318 HydrophobicContact CD-CG 4.47Å; K309-E318 WeakPolarHBondContact CD-OE2 3.2Å; K309-E318 HydrophobicContact CG-CB 4.49Å; K309-E318 IonicContact NZ-OE2 3.43Å; K309-E318 PolarHBondContact NZ-OE2 2.85Å; K309-F319 CarbonylContact C-O 3.45Å; K309-F319 WeakPolarHBondContact CA-O 3.14Å |
| 310 | Y | 77.5 | Confident | 69.4 | Low | 37 Ų | 37 | 86.6 Ų | 86.6 | 15% | 0.145 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 124.8 | 169.5 | -65.9 | -97.1 | 0 | 0 | 0 | 108.5 | Y250 A251 R252 P253 E318 F319 E322 V325 | Y250-Y310 HydrophobicContact CD2-CD1 4.11Å; Y250-Y310 HydrophobicContact CE2-CD1 4.07Å; A251-Y310 WeakPolarHBondContact O-CA 3.36Å; R252-Y310 HydrophobicContact CB-CE1 4.47Å; R252-Y310 HydrophobicContact CG-CD1 4.21Å; R252-Y310 HydrophobicContact CG-CE1 4Å; P253-Y310 HydrophobicContact CG-CD1 4.36Å; P253-Y310 HydrophobicContact CG-CD2 3.88Å; P253-Y310 HydrophobicContact CG-CE1 4.43Å; P253-Y310 HydrophobicContact CG-CE2 3.95Å; P253-Y310 HydrophobicContact CG-CG 4.09Å; Y310-E318 CarbonylContact O-C 3.6Å; Y310-E318 WeakPolarHBondContact O-CA 3.42Å; Y310-F319 PolarHBondContact N-O 2.85Å; Y310-F319 PolarHBondContact O-N 2.87Å; Y310-E322 HydrophobicContact CD1-CB 4.06Å; Y310-E322 HydrophobicContact CD1-CG 4.18Å; Y310-E322 HydrophobicContact CE1-CB 3.44Å; Y310-E322 VanDerWaalsContact CE1-CB 3.44Å; Y310-E322 HydrophobicContact CE1-CG 3.67Å; Y310-E322 HydrophobicContact CE2-CB 4.29Å; Y310-E322 VanDerWaalsContact CE2-N 3.28Å; Y310-V325 HydrophobicContact CD1-CG1 4.18Å; Y310-V325 HydrophobicContact CG-CG1 4.22Å |
| 311 | R | 78.3 | Confident | 69.6 | Low | 108 Ų | 108 | 88.6 Ų | 88.6 | 41% | 0.408 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.3 | -177.1 | -176 | -179.8 | -68.3 | -164 | -2.3 | 110.7 | Y250 A251 K309 L313 N316 K317 E318 | Y250-R311 CarbonylContact C-O 3.49Å; Y250-R311 WeakPolarHBondContact CA-O 3.46Å; Y250-R311 VanDerWaalsContact CB-O 3.3Å; Y250-R311 WeakPolarHBondContact CB-O 3.32Å; A251-R311 HydrophobicContact CB-CB 4.33Å; A251-R311 PolarHBondContact N-O 2.89Å; A251-R311 PolarHBondContact O-N 3.36Å; K309-R311 PolarHBondContact O-N 3.22Å; R311-L313 PolarHBondContact O-N 2.58Å; R311-N316 HydrophobicContact CG-CB 4.46Å; R311-K317 WeakPolarHBondContact CA-O 3.39Å; R311-E318 IonicContact CZ-OE1 3.61Å; R311-E318 IonicContact NE-OE1 3.22Å; R311-E318 IonicContact NH2-OE1 2.72Å; R311-E318 PolarHBondContact NH2-OE1 2.89Å |
| 312 | C | 83.3 | Confident | 70.3 | Confident | 0 Ų | 0 | 84.6 Ų | 84.6 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 125.8 | 171 | -177.7 | 0 | 0 | 0 | 0 | 110 | I314 N316 K317 F319 V325 | C312-I314 PolarHBondContact O-N 3.17Å; C312-I314 PolarHBondContact SG-N 2.86Å; C312-I314 VanDerWaalsContact SG-N 3.44Å; C312-N316 WeakPolarHBondContact O-CA 3.35Å; C312-N316 PolarHBondContact O-N 2.69Å; C312-K317 PolarHBondContact N-O 3.39Å; C312-F319 HydrophobicContact CB-CE2 4.32Å; C312-V325 HydrophobicContact CB-CG2 4.09Å |
| 313 | L | 82 | Confident | 70.8 | Confident | 98 Ų | 98 | 82.9 Ų | 82.9 | 51% | 0.513 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -4 | 179.1 | -65.4 | 172.6 | 0 | 0 | 0 | 113.1 | K249 A251 R311 | K249-L313 WeakPolarHBondContact O-CB 3.23Å; K249-L313 PolarHBondContact O-N 3.1Å; A251-L313 HydrophobicContact CB-CD2 4.09Å; R311-L313 PolarHBondContact O-N 2.58Å |
| 314 | I | 79.3 | Confident | 72 | Confident | 77 Ų | 77 | 82.5 Ų | 82.5 | 40% | 0.395 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -40 | 179.1 | -51.9 | 172.5 | 0 | 0 | 0 | 110.6 | K249 C312 I329 H333 | K249-I314 HydrophobicContact CB-CD1 4.24Å; K249-I314 HydrophobicContact CB-CG1 4.42Å; K249-I314 HydrophobicContact CD-CD1 3.95Å; C312-I314 PolarHBondContact O-N 3.17Å; C312-I314 PolarHBondContact SG-N 2.86Å; C312-I314 VanDerWaalsContact SG-N 3.44Å; I314-I329 HydrophobicContact CD1-CG2 4.08Å; I314-H333 HydrophobicContact CD1-CB 3.84Å; I314-H333 VanDerWaalsContact CG2-CE1 3.49Å; I314-H333 WeakPolarHBondContact CG2-CE1 3.29Å |
| 315 | C | 80.6 | Confident | 73.6 | Confident | 47 Ų | 47 | 73 Ų | 73 | 32% | 0.318 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 6 | -177.7 | 71.4 | 0 | 0 | 0 | 0 | 115.1 | K317 H328 H333 | C315-K317 PolarHBondContact O-N 3.32Å; C315-H328 VanDerWaalsContact SG-CE1 3.6Å; C315-H328 PolarHBondContact SG-NE2 3.28Å; C315-H333 PolarHBondContact SG-NE2 3.16Å; C315-H333 VanDerWaalsContact SG-NE2 3.37Å |
| 316 | N | 79.8 | Confident | 75 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 54% | 0.535 | 38% | 0.377 | S | S | . | . | trans | 57.2 | 13.8 | -179.2 | -68.1 | -40.5 | 0 | 0 | 0 | 116.2 | R311 C312 | R311-N316 HydrophobicContact CG-CB 4.46Å; C312-N316 WeakPolarHBondContact O-CA 3.35Å; C312-N316 PolarHBondContact O-N 2.69Å | ||
| 317 | K | 79.1 | Confident | 76.6 | Confident | 123 Ų | 123 | 70.9 Ų | 70.9 | 54% | 0.535 | 37% | 0.369 | S | S | . | . | trans | -65.8 | 138.5 | 172.1 | -76.4 | 179.2 | -175.9 | -76.3 | 0 | 111.3 | R311 C312 C315 F319 | R311-K317 WeakPolarHBondContact CA-O 3.39Å; C312-K317 PolarHBondContact N-O 3.39Å; C315-K317 PolarHBondContact O-N 3.32Å; K317-F319 HydrophobicContact CB-CE2 3.65Å; K317-F319 HydrophobicContact CB-CZ 3.88Å; K317-F319 WeakPolarHBondContact O-CD2 3.42Å; K317-F319 WeakPolarHBondContact O-CE2 3.36Å | ||
| 318 | E | 81.5 | Confident | 78 | Confident | 86 Ų | 86 | 69.3 Ų | 69.3 | 40% | 0.402 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 139.3 | -178 | -58.6 | -169.5 | 141.1 | 0 | 0 | 111.2 | K309 Y310 R311 | K309-E318 HydrophobicContact CB-CB 3.87Å; K309-E318 HydrophobicContact CB-CG 4.48Å; K309-E318 HydrophobicContact CD-CB 3.78Å; K309-E318 HydrophobicContact CD-CG 4.47Å; K309-E318 WeakPolarHBondContact CD-OE2 3.2Å; K309-E318 HydrophobicContact CG-CB 4.49Å; K309-E318 IonicContact NZ-OE2 3.43Å; K309-E318 PolarHBondContact NZ-OE2 2.85Å; Y310-E318 CarbonylContact O-C 3.6Å; Y310-E318 WeakPolarHBondContact O-CA 3.42Å; R311-E318 IonicContact CZ-OE1 3.61Å; R311-E318 IonicContact NE-OE1 3.22Å; R311-E318 IonicContact NH2-OE1 2.72Å; R311-E318 PolarHBondContact NH2-OE1 2.89Å |
| 319 | F | 77.8 | Confident | 79.1 | Confident | 42 Ų | 42 | 67.9 Ų | 67.9 | 18% | 0.184 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 145.9 | -177.1 | -61.4 | -87.7 | 0 | 0 | 0 | 110.6 | K309 Y310 C312 K317 S321 V325 H328 | K309-F319 CarbonylContact C-O 3.45Å; K309-F319 WeakPolarHBondContact CA-O 3.14Å; Y310-F319 PolarHBondContact N-O 2.85Å; Y310-F319 PolarHBondContact O-N 2.87Å; C312-F319 HydrophobicContact CB-CE2 4.32Å; K317-F319 HydrophobicContact CB-CE2 3.65Å; K317-F319 HydrophobicContact CB-CZ 3.88Å; K317-F319 WeakPolarHBondContact O-CD2 3.42Å; K317-F319 WeakPolarHBondContact O-CE2 3.36Å; F319-S321 VanDerWaalsContact C-N 3.27Å; F319-S321 PolarHBondContact O-N 2.87Å; F319-V325 HydrophobicContact CB-CB 4.13Å; F319-V325 HydrophobicContact CD2-CB 3.65Å; F319-V325 HydrophobicContact CD2-CG2 3.69Å; F319-V325 HydrophobicContact CE2-CB 4.36Å; F319-V325 HydrophobicContact CE2-CG2 4.08Å; F319-V325 HydrophobicContact CG-CB 3.99Å; F319-H328 HydrophobicContact CE1-CB 3.75Å; F319-H328 AromaticContact CE1-CG 3.99Å; F319-H328 HydrophobicContact CE2-CB 3.96Å; F319-H328 AromaticContact CE2-CD2 3.49Å; F319-H328 VanDerWaalsContact CE2-CD2 3.49Å; F319-H328 WeakPolarHBondContact CE2-CD2 3.29Å; F319-H328 AromaticContact CE2-CG 3.66Å; F319-H328 HydrophobicContact CZ-CB 3.37Å; F319-H328 AromaticContact CZ-CD2 3.48Å; F319-H328 VanDerWaalsContact CZ-CD2 3.48Å; F319-H328 WeakPolarHBondContact CZ-CD2 3.42Å; F319-H328 AromaticContact CZ-CG 3.14Å; F319-H328 AromaticContact CZ-ND1 3.58Å |
| 320 | N | 71.5 | Confident | 79.7 | Confident | 146 Ų | 146 | 67 Ų | 67 | 78% | 0.781 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -88.7 | -0.6 | -176.3 | -44.7 | 19.8 | 0 | 0 | 0 | 111.2 | ||
| 321 | S | 72.7 | Confident | 79.9 | Confident | 55 Ų | 55 | 67.7 Ų | 67.7 | 39% | 0.385 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -146.4 | 146.5 | -178.6 | 67.8 | 0 | 0 | 0 | 0 | 112.7 | F319 S323 G324 V325 | F319-S321 VanDerWaalsContact C-N 3.27Å; F319-S321 PolarHBondContact O-N 2.87Å; S321-S323 VanDerWaalsContact C-N 3.29Å; S321-S323 PolarHBondContact O-N 2.92Å; S321-G324 PolarHBondContact O-N 3.3Å; S321-G324 PolarHBondContact OG-N 3.1Å; S321-G324 VanDerWaalsContact OG-N 3.08Å; S321-V325 PolarHBondContact O-N 3.15Å |
| 322 | E | 75.3 | Confident | 80.2 | Confident | 53 Ų | 53 | 66.7 Ų | 66.7 | 25% | 0.248 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 176 | -164.1 | -177.6 | 160.2 | 0 | 0 | 111.3 | Y250 R252 Y310 G324 V325 K326 | Y250-E322 HydrophobicContact CE2-CG 3.99Å; Y250-E322 PolarHBondContact OH-OE1 3Å; R252-E322 IonicContact NH2-OE1 2.75Å; Y310-E322 HydrophobicContact CD1-CB 4.06Å; Y310-E322 HydrophobicContact CD1-CG 4.18Å; Y310-E322 HydrophobicContact CE1-CB 3.44Å; Y310-E322 VanDerWaalsContact CE1-CB 3.44Å; Y310-E322 HydrophobicContact CE1-CG 3.67Å; Y310-E322 HydrophobicContact CE2-CB 4.29Å; Y310-E322 VanDerWaalsContact CE2-N 3.28Å; E322-G324 VanDerWaalsContact C-N 3.31Å; E322-G324 PolarHBondContact O-N 2.78Å; E322-V325 WeakPolarHBondContact O-CG1 3.34Å; E322-V325 PolarHBondContact O-N 2.86Å; E322-K326 HydrophobicContact CG-CD 4.39Å; E322-K326 WeakPolarHBondContact O-CB 3.27Å; E322-K326 VanDerWaalsContact O-CG 3.29Å; E322-K326 WeakPolarHBondContact O-CG 3.26Å; E322-K326 PolarHBondContact O-N 3.21Å; E322-K326 WeakPolarHBondContact OE1-CE 2.99Å; E322-K326 IonicContact OE1-NZ 2.77Å; E322-K326 PolarHBondContact OE1-NZ 2.88Å |
| 323 | S | 73.6 | Confident | 80 | Confident | 91 Ų | 91 | 69 Ų | 69 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.1 | -36.9 | 176.6 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | S321 K326 Y327 | S321-S323 VanDerWaalsContact C-N 3.29Å; S321-S323 PolarHBondContact O-N 2.92Å; S323-K326 PolarHBondContact O-N 3.24Å; S323-Y327 WeakPolarHBondContact O-CB 3.11Å; S323-Y327 PolarHBondContact O-N 3.41Å |
| 324 | G | 82.2 | Confident | 79.8 | Confident | 19 Ų | 19 | 69.2 Ų | 69.2 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S321 E322 Y327 H328 | S321-G324 PolarHBondContact O-N 3.3Å; S321-G324 PolarHBondContact OG-N 3.1Å; S321-G324 VanDerWaalsContact OG-N 3.08Å; E322-G324 VanDerWaalsContact C-N 3.31Å; E322-G324 PolarHBondContact O-N 2.78Å; G324-Y327 PolarHBondContact O-N 3.2Å; G324-H328 VanDerWaalsContact O-CB 3.28Å; G324-H328 WeakPolarHBondContact O-CB 3.27Å; G324-H328 PolarHBondContact O-N 2.97Å |
| 325 | V | 81.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.2 | -35.1 | 177.4 | 70.4 | 0 | 0 | 0 | 0 | 112.3 | Y250 Y310 C312 F319 S321 E322 H328 I329 | Y250-V325 VanDerWaalsContact CB-CG2 3.47Å; Y250-V325 HydrophobicContact CD1-CG1 4.08Å; Y250-V325 HydrophobicContact CD2-CG1 3.59Å; Y250-V325 HydrophobicContact CE1-CG1 4.45Å; Y250-V325 HydrophobicContact CE2-CG1 4.02Å; Y250-V325 HydrophobicContact CG-CB 4.48Å; Y250-V325 HydrophobicContact CG-CG1 3.64Å; Y250-V325 HydrophobicContact CG-CG2 3.99Å; Y310-V325 HydrophobicContact CD1-CG1 4.18Å; Y310-V325 HydrophobicContact CG-CG1 4.22Å; C312-V325 HydrophobicContact CB-CG2 4.09Å; F319-V325 HydrophobicContact CB-CB 4.13Å; F319-V325 HydrophobicContact CD2-CB 3.65Å; F319-V325 HydrophobicContact CD2-CG2 3.69Å; F319-V325 HydrophobicContact CE2-CB 4.36Å; F319-V325 HydrophobicContact CE2-CG2 4.08Å; F319-V325 HydrophobicContact CG-CB 3.99Å; S321-V325 PolarHBondContact O-N 3.15Å; E322-V325 WeakPolarHBondContact O-CG1 3.34Å; E322-V325 PolarHBondContact O-N 2.86Å; V325-H328 PolarHBondContact O-N 3.46Å; V325-I329 HydrophobicContact CG2-CD1 4.04Å; V325-I329 WeakPolarHBondContact O-CD1 3.35Å; V325-I329 VanDerWaalsContact O-CG1 3.28Å; V325-I329 WeakPolarHBondContact O-CG1 3.48Å; V325-I329 PolarHBondContact O-N 3.13Å |
| 326 | K | 83.3 | Confident | 79.2 | Confident | 48 Ų | 48 | 71 Ų | 71 | 21% | 0.209 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 174.5 | -75.5 | 175 | -178.3 | 168.7 | 0 | 111.9 | Y250 E322 S323 H328 I329 N330 W337 | Y250-K326 HydrophobicContact CE1-CG 4Å; Y250-K326 WeakPolarHBondContact OH-CE 3.26Å; E322-K326 HydrophobicContact CG-CD 4.39Å; E322-K326 WeakPolarHBondContact O-CB 3.27Å; E322-K326 VanDerWaalsContact O-CG 3.29Å; E322-K326 WeakPolarHBondContact O-CG 3.26Å; E322-K326 PolarHBondContact O-N 3.21Å; E322-K326 WeakPolarHBondContact OE1-CE 2.99Å; E322-K326 IonicContact OE1-NZ 2.77Å; E322-K326 PolarHBondContact OE1-NZ 2.88Å; S323-K326 PolarHBondContact O-N 3.24Å; K326-H328 VanDerWaalsContact C-N 3.34Å; K326-I329 PolarHBondContact O-N 3.4Å; K326-N330 WeakPolarHBondContact O-CB 3.34Å; K326-N330 PolarHBondContact O-N 3.26Å; K326-W337 HydrophobicContact CB-CG 4.4Å; K326-W337 HydrophobicContact CD-CD2 4.09Å; K326-W337 HydrophobicContact CD-CE3 4.47Å; K326-W337 HydrophobicContact CD-CH2 4.39Å; K326-W337 HydrophobicContact CD-CZ2 4.05Å; K326-W337 VanDerWaalsContact CE-CH2 3.49Å; K326-W337 HydrophobicContact CG-CB 4.36Å; K326-W337 HydrophobicContact CG-CD2 3.86Å; K326-W337 HydrophobicContact CG-CE3 4.33Å; K326-W337 HydrophobicContact CG-CG 3.9Å |
| 327 | Y | 83.8 | Confident | 78.5 | Confident | 169 Ų | 169 | 69.7 Ų | 69.7 | 66% | 0.663 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.2 | -48.5 | 174.6 | 175.7 | -99.2 | 0 | 0 | 0 | 110.3 | S323 G324 I329 N330 S331 | S323-Y327 WeakPolarHBondContact O-CB 3.11Å; S323-Y327 PolarHBondContact O-N 3.41Å; G324-Y327 PolarHBondContact O-N 3.2Å; Y327-I329 PolarHBondContact O-N 2.85Å; Y327-N330 CarbonylContact O-C 3.49Å; Y327-N330 PolarHBondContact O-N 2.96Å; Y327-N330 VanDerWaalsContact O-N 3.12Å; Y327-S331 WeakPolarHBondContact O-CB 3.48Å; Y327-S331 PolarHBondContact O-N 3.18Å; Y327-S331 PolarHBondContact O-OG 3.4Å |
| 328 | H | 84.1 | Confident | 78 | Confident | 13 Ų | 13 | 67.9 Ų | 67.9 | 6% | 0.06 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -57 | -44.3 | 178 | 167.2 | 71.7 | 0 | 0 | 0 | 113.1 | C315 F319 G324 V325 K326 N330 S331 V332 H333 | C315-H328 VanDerWaalsContact SG-CE1 3.6Å; C315-H328 PolarHBondContact SG-NE2 3.28Å; F319-H328 HydrophobicContact CE1-CB 3.75Å; F319-H328 AromaticContact CE1-CG 3.99Å; F319-H328 HydrophobicContact CE2-CB 3.96Å; F319-H328 AromaticContact CE2-CD2 3.49Å; F319-H328 VanDerWaalsContact CE2-CD2 3.49Å; F319-H328 WeakPolarHBondContact CE2-CD2 3.29Å; F319-H328 AromaticContact CE2-CG 3.66Å; F319-H328 HydrophobicContact CZ-CB 3.37Å; F319-H328 AromaticContact CZ-CD2 3.48Å; F319-H328 VanDerWaalsContact CZ-CD2 3.48Å; F319-H328 WeakPolarHBondContact CZ-CD2 3.42Å; F319-H328 AromaticContact CZ-CG 3.14Å; F319-H328 AromaticContact CZ-ND1 3.58Å; G324-H328 VanDerWaalsContact O-CB 3.28Å; G324-H328 WeakPolarHBondContact O-CB 3.27Å; G324-H328 PolarHBondContact O-N 2.97Å; V325-H328 PolarHBondContact O-N 3.46Å; K326-H328 VanDerWaalsContact C-N 3.34Å; H328-N330 VanDerWaalsContact C-N 3.32Å; H328-N330 PolarHBondContact O-N 3.34Å; H328-S331 PolarHBondContact O-N 2.84Å; H328-V332 VanDerWaalsContact ND1-CG2 3.34Å; H328-V332 WeakPolarHBondContact ND1-CG2 3.5Å; H328-V332 WeakPolarHBondContact O-CA 3.41Å; H328-V332 VanDerWaalsContact O-CB 3.25Å; H328-V332 WeakPolarHBondContact O-CB 3.19Å; H328-V332 PolarHBondContact O-N 2.96Å; H328-H333 AromaticContact CE1-NE2 3.91Å; H328-H333 AromaticContact NE2-CD2 3.74Å; H328-H333 AromaticContact NE2-NE2 3.36Å; H328-H333 PolarHBondContact NE2-NE2 3.32Å |
| 329 | I | 83.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | 177.3 | -68.1 | 162.5 | 0 | 0 | 0 | 111.2 | K249 Y250 I314 V325 K326 Y327 H333 S334 Q335 W337 | K249-I329 HydrophobicContact CB-CD1 4.2Å; Y250-I329 HydrophobicContact CD1-CD1 3.69Å; Y250-I329 HydrophobicContact CG-CD1 4.23Å; I314-I329 HydrophobicContact CD1-CG2 4.08Å; V325-I329 HydrophobicContact CG2-CD1 4.04Å; V325-I329 WeakPolarHBondContact O-CD1 3.35Å; V325-I329 VanDerWaalsContact O-CG1 3.28Å; V325-I329 WeakPolarHBondContact O-CG1 3.48Å; V325-I329 PolarHBondContact O-N 3.13Å; K326-I329 PolarHBondContact O-N 3.4Å; Y327-I329 PolarHBondContact O-N 2.85Å; I329-H333 CarbonylContact O-C 3.54Å; I329-H333 WeakPolarHBondContact O-CA 3.5Å; I329-H333 VanDerWaalsContact O-CB 3.31Å; I329-H333 WeakPolarHBondContact O-CB 3.44Å; I329-H333 PolarHBondContact O-N 3.37Å; I329-S334 PolarHBondContact O-N 3.46Å; I329-Q335 HydrophobicContact CG2-CB 4.5Å; I329-Q335 WeakPolarHBondContact CG2-O 3.34Å; I329-Q335 PolarHBondContact O-N 3.32Å; I329-W337 HydrophobicContact CB-CB 4.24Å; I329-W337 HydrophobicContact CD1-CB 4.08Å; I329-W337 HydrophobicContact CG2-CB 4.06Å |
| 330 | N | 83.6 | Confident | 75.9 | Confident | 96 Ų | 96 | 68.4 Ų | 68.4 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -73.5 | -35.3 | 179.1 | -164.6 | 59.2 | 0 | 0 | 0 | 112.9 | K326 Y327 H328 S334 | K326-N330 WeakPolarHBondContact O-CB 3.34Å; K326-N330 PolarHBondContact O-N 3.26Å; Y327-N330 CarbonylContact O-C 3.49Å; Y327-N330 PolarHBondContact O-N 2.96Å; Y327-N330 VanDerWaalsContact O-N 3.12Å; H328-N330 VanDerWaalsContact C-N 3.32Å; H328-N330 PolarHBondContact O-N 3.34Å; N330-S334 WeakPolarHBondContact O-CA 3.34Å; N330-S334 PolarHBondContact O-N 3.15Å |
| 331 | S | 81.3 | Confident | 75.1 | Confident | 51 Ų | 51 | 65.9 Ų | 65.9 | 36% | 0.357 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -90.9 | -39.2 | -174.8 | 63.6 | 0 | 0 | 0 | 0 | 113.7 | Y327 H328 | Y327-S331 WeakPolarHBondContact O-CB 3.48Å; Y327-S331 PolarHBondContact O-N 3.18Å; Y327-S331 PolarHBondContact O-OG 3.4Å; H328-S331 PolarHBondContact O-N 2.84Å |
| 332 | V | 83.9 | Confident | 74.1 | Confident | 86 Ų | 86 | 71 Ų | 71 | 52% | 0.521 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -94.4 | -33.8 | -176.7 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | H328 | H328-V332 VanDerWaalsContact ND1-CG2 3.34Å; H328-V332 WeakPolarHBondContact ND1-CG2 3.5Å; H328-V332 WeakPolarHBondContact O-CA 3.41Å; H328-V332 VanDerWaalsContact O-CB 3.25Å; H328-V332 WeakPolarHBondContact O-CB 3.19Å; H328-V332 PolarHBondContact O-N 2.96Å |
| 333 | H | 80.2 | Confident | 72.8 | Confident | 49 Ų | 49 | 76.8 Ų | 76.8 | 23% | 0.227 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -103.3 | -3.8 | 179.9 | -60.3 | -56.3 | 0 | 0 | 0 | 113.6 | I314 C315 H328 I329 Q335 | I314-H333 HydrophobicContact CD1-CB 3.84Å; I314-H333 VanDerWaalsContact CG2-CE1 3.49Å; I314-H333 WeakPolarHBondContact CG2-CE1 3.29Å; C315-H333 PolarHBondContact SG-NE2 3.16Å; C315-H333 VanDerWaalsContact SG-NE2 3.37Å; H328-H333 AromaticContact CE1-NE2 3.91Å; H328-H333 AromaticContact NE2-CD2 3.74Å; H328-H333 AromaticContact NE2-NE2 3.36Å; H328-H333 PolarHBondContact NE2-NE2 3.32Å; I329-H333 CarbonylContact O-C 3.54Å; I329-H333 WeakPolarHBondContact O-CA 3.5Å; I329-H333 VanDerWaalsContact O-CB 3.31Å; I329-H333 WeakPolarHBondContact O-CB 3.44Å; I329-H333 PolarHBondContact O-N 3.37Å; H333-Q335 HydrophobicContact CB-CB 4.25Å; H333-Q335 WeakPolarHBondContact O-CB 3.19Å; H333-Q335 PolarHBondContact O-N 3.05Å |
| 334 | S | 76.9 | Confident | 71.6 | Confident | 102 Ų | 102 | 75.2 Ų | 75.2 | 71% | 0.713 | 39% | 0.391 | S | S | * | . | trans | 46.3 | 34.7 | -178 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | I329 N330 | I329-S334 PolarHBondContact O-N 3.46Å; N330-S334 WeakPolarHBondContact O-CA 3.34Å; N330-S334 PolarHBondContact O-N 3.15Å | ||
| 335 | Q | 72.6 | Confident | 70.2 | Confident | 86 Ų | 86 | 77.1 Ų | 77.1 | 40% | 0.402 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -130.6 | 148.5 | -168.2 | -171.6 | 67.6 | 27.4 | 0 | 0 | 110 | K249 I329 H333 W337 | K249-Q335 HydrophobicContact CD-CG 3.96Å; I329-Q335 HydrophobicContact CG2-CB 4.5Å; I329-Q335 WeakPolarHBondContact CG2-O 3.34Å; I329-Q335 PolarHBondContact O-N 3.32Å; H333-Q335 HydrophobicContact CB-CB 4.25Å; H333-Q335 WeakPolarHBondContact O-CB 3.19Å; H333-Q335 PolarHBondContact O-N 3.05Å; Q335-W337 PolarHBondContact O-N 3.13Å |
| 336 | D | 74.9 | Confident | 68.8 | Low | 75 Ų | 75 | 84.2 Ų | 84.2 | 40% | 0.401 | 43% | 0.432 | S | S | . | . | trans | -63.1 | 130.8 | 169.9 | -70.9 | -58.1 | 0 | 0 | 0 | 111 | K249 F338 | K249-D336 VanDerWaalsContact CD-O 3.3Å; K249-D336 WeakPolarHBondContact CD-O 3.33Å; K249-D336 VanDerWaalsContact CE-O 3.25Å; K249-D336 WeakPolarHBondContact CE-O 3.29Å; D336-F338 HydrophobicContact CB-CD1 3.92Å; D336-F338 HydrophobicContact CB-CE1 3.82Å; D336-F338 PolarHBondContact O-N 3.26Å | ||
| 337 | W | 65.7 | Low | 67.2 | Low | 73 Ų | 73 | 89.9 Ų | 89.9 | 28% | 0.277 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -68.9 | -8.3 | 176.1 | 62 | -92.9 | 0 | 0 | 0 | 113.3 | L248 K249 Y250 K326 I329 Q335 | L248-W337 HydrophobicContact CD2-CE3 3.67Å; L248-W337 HydrophobicContact CD2-CZ3 3.49Å; L248-W337 VanDerWaalsContact CD2-CZ3 3.49Å; K249-W337 PolarHBondContact N-O 2.81Å; Y250-W337 HydrophobicContact CD1-CB 4.4Å; Y250-W337 HydrophobicContact CE1-CB 4.27Å; Y250-W337 HydrophobicContact CE1-CD2 4.23Å; Y250-W337 AromaticContact CE1-CE3 3.54Å; Y250-W337 HydrophobicContact CE1-CE3 3.54Å; Y250-W337 HydrophobicContact CE1-CZ3 4.19Å; K326-W337 HydrophobicContact CB-CG 4.4Å; K326-W337 HydrophobicContact CD-CD2 4.09Å; K326-W337 HydrophobicContact CD-CE3 4.47Å; K326-W337 HydrophobicContact CD-CH2 4.39Å; K326-W337 HydrophobicContact CD-CZ2 4.05Å; K326-W337 VanDerWaalsContact CE-CH2 3.49Å; K326-W337 HydrophobicContact CG-CB 4.36Å; K326-W337 HydrophobicContact CG-CD2 3.86Å; K326-W337 HydrophobicContact CG-CE3 4.33Å; K326-W337 HydrophobicContact CG-CG 3.9Å; I329-W337 HydrophobicContact CB-CB 4.24Å; I329-W337 HydrophobicContact CD1-CB 4.08Å; I329-W337 HydrophobicContact CG2-CB 4.06Å; Q335-W337 PolarHBondContact O-N 3.13Å |
| 338 | F | 68.5 | Low | 65.5 | Low | 85 Ų | 85 | 88.1 Ų | 88.1 | 37% | 0.373 | 45% | 0.453 | S | S | . | . | B | Isolated β-bridge | trans | -121.2 | 139.4 | 177.6 | 66.9 | -72.5 | 0 | 0 | 0 | 110.7 | D336 T340 | D336-F338 HydrophobicContact CB-CD1 3.92Å; D336-F338 HydrophobicContact CB-CE1 3.82Å; D336-F338 PolarHBondContact O-N 3.26Å; F338-T340 HydrophobicContact CD2-CG2 3.61Å; F338-T340 HydrophobicContact CE2-CG2 3.06Å; F338-T340 HydrophobicContact CZ-CG2 3.78Å; F338-T340 PolarHBondContact O-N 3.27Å |
| 339 | V | 62 | Low | 63.9 | Low | 80 Ų | 80 | 93.8 Ų | 93.8 | 49% | 0.485 | 48% | 0.479 | S | S | . | . | trans | -81.3 | 99 | 174.9 | -179 | 0 | 0 | 0 | 0 | 108.4 | K247 K249 N341 | K247-V339 HydrophobicContact CB-CB 4.43Å; K247-V339 WeakPolarHBondContact O-CG2 3.42Å; K247-V339 PolarHBondContact O-N 3.36Å; K249-V339 HydrophobicContact CG-CG2 4.41Å; V339-N341 PolarHBondContact O-N 3.28Å; V339-N341 VanDerWaalsContact O-N 3.17Å | ||
| 340 | T | 52.8 | Low | 62.4 | Low | 60 Ų | 60 | 100.6 Ų | 100.6 | 37% | 0.368 | 51% | 0.508 | S | S | . | . | trans | -65.4 | 112.4 | 168 | 46.6 | 0 | 0 | 0 | 0 | 109.4 | F338 K342 | F338-T340 HydrophobicContact CD2-CG2 3.61Å; F338-T340 HydrophobicContact CE2-CG2 3.06Å; F338-T340 HydrophobicContact CZ-CG2 3.78Å; F338-T340 PolarHBondContact O-N 3.27Å; T340-K342 VanDerWaalsContact C-N 3.34Å; T340-K342 PolarHBondContact O-N 2.85Å | ||
| 341 | N | 54.3 | Low | 61.3 | Low | 93 Ų | 93 | 101.2 Ų | 101.2 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | trans | -69.6 | 97.7 | 167.5 | -172.4 | -14.5 | 0 | 0 | 0 | 107.9 | V339 K343 A344 S345 | V339-N341 PolarHBondContact O-N 3.28Å; V339-N341 VanDerWaalsContact O-N 3.17Å; N341-K343 PolarHBondContact O-N 3.11Å; N341-K343 WeakPolarHBondContact OD1-CB 3.25Å; N341-K343 PolarHBondContact OD1-N 3.28Å; N341-K343 VanDerWaalsContact OD1-N 3.12Å; N341-A344 HydrophobicContact CB-CB 4.19Å; N341-A344 PolarHBondContact O-N 3.05Å; N341-S345 PolarHBondContact O-N 2.92Å | ||
| 342 | K | 52.7 | Low | 59.9 | Low | 163 Ų | 163 | 103.8 Ų | 103.8 | 71% | 0.709 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -50.2 | -21.8 | 178.6 | -70.5 | -179.5 | 178.1 | 176.3 | 0 | 113.3 | T340 K346 | T340-K342 VanDerWaalsContact C-N 3.34Å; T340-K342 PolarHBondContact O-N 2.85Å; K342-K346 WeakPolarHBondContact O-CB 3.47Å; K342-K346 VanDerWaalsContact O-CG 3.28Å; K342-K346 WeakPolarHBondContact O-CG 3.44Å; K342-K346 PolarHBondContact O-N 3.49Å |
| 343 | K | 48.5 | Very low | 58.5 | Low | 173 Ų | 173 | 108.3 Ų | 108.3 | 75% | 0.752 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -78.7 | -35.4 | 175.3 | -61.7 | -177.3 | 178.5 | 179.3 | 0 | 113.1 | N341 K347 | N341-K343 PolarHBondContact O-N 3.11Å; N341-K343 WeakPolarHBondContact OD1-CB 3.25Å; N341-K343 PolarHBondContact OD1-N 3.28Å; N341-K343 VanDerWaalsContact OD1-N 3.12Å; K343-K347 WeakPolarHBondContact O-CB 3.4Å; K343-K347 PolarHBondContact O-N 3.19Å; K343-K347 VanDerWaalsContact O-N 3.16Å |
| 344 | A | 48.3 | Very low | 56.8 | Low | 58 Ų | 58 | 111.6 Ų | 111.6 | 48% | 0.479 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73.6 | -41.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N341 K346 K347 F348 | N341-A344 HydrophobicContact CB-CB 4.19Å; N341-A344 PolarHBondContact O-N 3.05Å; A344-K346 PolarHBondContact O-N 3.44Å; A344-K347 PolarHBondContact O-N 3.02Å; A344-F348 PolarHBondContact O-N 3.35Å |
| 345 | S | 52.5 | Low | 55.1 | Low | 59 Ų | 59 | 111.6 Ų | 111.6 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 175.7 | -51.6 | 0 | 0 | 0 | 0 | 112 | N341 K347 F348 E349 | N341-S345 PolarHBondContact O-N 2.92Å; S345-K347 VanDerWaalsContact C-N 3.33Å; S345-K347 PolarHBondContact O-N 3.08Å; S345-F348 PolarHBondContact O-N 2.91Å; S345-E349 PolarHBondContact O-N 3.22Å |
| 346 | K | 52 | Low | 53.4 | Low | 149 Ų | 149 | 111.8 Ų | 111.8 | 65% | 0.648 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.5 | -33.3 | 174.3 | -77.2 | -178.9 | 179.5 | -174.9 | 0 | 113.1 | K342 A344 K350 | K342-K346 WeakPolarHBondContact O-CB 3.47Å; K342-K346 VanDerWaalsContact O-CG 3.28Å; K342-K346 WeakPolarHBondContact O-CG 3.44Å; K342-K346 PolarHBondContact O-N 3.49Å; A344-K346 PolarHBondContact O-N 3.44Å; K346-K350 WeakPolarHBondContact O-CB 3.45Å; K346-K350 PolarHBondContact O-N 2.9Å |
| 347 | K | 49.1 | Very low | 52 | Low | 168 Ų | 168 | 117.9 Ų | 117.9 | 73% | 0.73 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -73.4 | -37 | 178.2 | -154.4 | 176.8 | -174.4 | -173.3 | 0 | 111.1 | K343 A344 S345 K350 F351 | K343-K347 WeakPolarHBondContact O-CB 3.4Å; K343-K347 PolarHBondContact O-N 3.19Å; K343-K347 VanDerWaalsContact O-N 3.16Å; A344-K347 PolarHBondContact O-N 3.02Å; S345-K347 VanDerWaalsContact C-N 3.33Å; S345-K347 PolarHBondContact O-N 3.08Å; K347-K350 PolarHBondContact O-N 3.27Å; K347-F351 WeakPolarHBondContact O-CB 3.49Å; K347-F351 PolarHBondContact O-N 3.3Å |
| 348 | F | 47.6 | Very low | 50.4 | Low | 132 Ų | 132 | 121.4 Ų | 121.4 | 58% | 0.579 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.4 | -43.5 | 173.4 | -170.9 | -105 | 0 | 0 | 0 | 112.5 | A344 S345 K350 F351 L352 | A344-F348 PolarHBondContact O-N 3.35Å; S345-F348 PolarHBondContact O-N 2.91Å; F348-K350 VanDerWaalsContact C-N 3.3Å; F348-K350 PolarHBondContact O-N 3.15Å; F348-F351 WeakPolarHBondContact O-CB 3.41Å; F348-F351 PolarHBondContact O-N 3.49Å; F348-L352 HydrophobicContact CD1-CD1 3.88Å; F348-L352 HydrophobicContact CD1-CG 4.46Å; F348-L352 HydrophobicContact CE1-CD1 3.55Å; F348-L352 HydrophobicContact CE1-CG 4.21Å; F348-L352 HydrophobicContact CZ-CD1 4.18Å; F348-L352 HydrophobicContact CZ-CG 4.44Å; F348-L352 WeakPolarHBondContact O-CG 3.5Å; F348-L352 PolarHBondContact O-N 3.36Å |
| 349 | E | 51.5 | Low | 48.7 | Very low | 132 Ų | 132 | 121.9 Ų | 121.9 | 62% | 0.617 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.9 | -39.2 | 171.7 | -82.6 | -176.7 | 144.6 | 0 | 0 | 112.2 | S345 K353 | S345-E349 PolarHBondContact O-N 3.22Å; E349-K353 VanDerWaalsContact O-CB 3.28Å; E349-K353 WeakPolarHBondContact O-CB 3.26Å; E349-K353 PolarHBondContact O-N 3.35Å |
| 350 | K | 52 | Low | 47.3 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 62% | 0.617 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.1 | -32.7 | 176.8 | -161.4 | 176.5 | -173.8 | -176 | 0 | 112.1 | K346 K347 F348 K353 N354 | K346-K350 WeakPolarHBondContact O-CB 3.45Å; K346-K350 PolarHBondContact O-N 2.9Å; K347-K350 PolarHBondContact O-N 3.27Å; F348-K350 VanDerWaalsContact C-N 3.3Å; F348-K350 PolarHBondContact O-N 3.15Å; K350-K353 PolarHBondContact O-N 3.03Å; K350-N354 VanDerWaalsContact O-CB 3.31Å; K350-N354 WeakPolarHBondContact O-CB 3.3Å; K350-N354 PolarHBondContact O-N 2.7Å; K350-N354 VanDerWaalsContact O-N 3.15Å; K350-N354 PolarHBondContact O-OD1 3.16Å |
| 351 | F | 60.5 | Low | 46.3 | Very low | 109 Ų | 109 | 131 Ų | 131 | 48% | 0.478 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67 | -48.3 | 173.1 | -179.9 | -101.3 | 0 | 0 | 0 | 111.6 | K347 F348 K353 N354 Q355 | K347-F351 WeakPolarHBondContact O-CB 3.49Å; K347-F351 PolarHBondContact O-N 3.3Å; F348-F351 WeakPolarHBondContact O-CB 3.41Å; F348-F351 PolarHBondContact O-N 3.49Å; F351-K353 PolarHBondContact O-N 3.18Å; F351-N354 PolarHBondContact O-N 3.19Å; F351-N354 VanDerWaalsContact O-N 3.1Å; F351-Q355 PolarHBondContact O-N 2.76Å |
| 352 | L | 52.4 | Low | 45.3 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 56% | 0.555 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -61.1 | -29 | 174.9 | -70.9 | 173.6 | 0 | 0 | 0 | 113.2 | F348 | F348-L352 HydrophobicContact CD1-CD1 3.88Å; F348-L352 HydrophobicContact CD1-CG 4.46Å; F348-L352 HydrophobicContact CE1-CD1 3.55Å; F348-L352 HydrophobicContact CE1-CG 4.21Å; F348-L352 HydrophobicContact CZ-CD1 4.18Å; F348-L352 HydrophobicContact CZ-CG 4.44Å; F348-L352 WeakPolarHBondContact O-CG 3.5Å; F348-L352 PolarHBondContact O-N 3.36Å |
| 353 | K | 52.6 | Low | 44.3 | Very low | 181 Ų | 181 | 132.8 Ų | 132.8 | 79% | 0.787 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -84.6 | -14.5 | 179 | -159.4 | 163.7 | -173.5 | 173.9 | 0 | 113.8 | E349 K350 F351 | E349-K353 VanDerWaalsContact O-CB 3.28Å; E349-K353 WeakPolarHBondContact O-CB 3.26Å; E349-K353 PolarHBondContact O-N 3.35Å; K350-K353 PolarHBondContact O-N 3.03Å; F351-K353 PolarHBondContact O-N 3.18Å |
| 354 | N | 44.5 | Very low | 43.6 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 63% | 0.626 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -102.2 | -0.8 | -179.2 | -78.2 | 6.7 | 0 | 0 | 0 | 113.5 | K350 F351 P356 | K350-N354 VanDerWaalsContact O-CB 3.31Å; K350-N354 WeakPolarHBondContact O-CB 3.3Å; K350-N354 PolarHBondContact O-N 2.7Å; K350-N354 VanDerWaalsContact O-N 3.15Å; K350-N354 PolarHBondContact O-OD1 3.16Å; F351-N354 PolarHBondContact O-N 3.19Å; F351-N354 VanDerWaalsContact O-N 3.1Å; N354-P356 WeakPolarHBondContact O-CD 3.37Å |
| 355 | Q | 42.2 | Very low | 43 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 48% | 0.481 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -66.8 | 120 | 167.3 | -75.6 | -85 | 30.6 | 0 | 0 | 108.7 | F351 | F351-Q355 PolarHBondContact O-N 2.76Š|
| 356 | P | 37.4 | Very low | 42.2 | Very low | 89 Ų | 89 | 139 Ų | 139 | 58% | 0.578 | 71% | 0.714 | S | S | * | * | trans | -63.8 | 136.7 | 173.7 | 26.1 | -30.4 | 0 | 0 | 0 | 109.5 | N354 D358 | N354-P356 WeakPolarHBondContact O-CD 3.37Å; P356-D358 VanDerWaalsContact C-N 3.34Å; P356-D358 PolarHBondContact O-N 3.37Å | ||
| 357 | K | 45.1 | Very low | 41.4 | Very low | 204 Ų | 204 | 134.9 Ų | 134.9 | 89% | 0.887 | 71% | 0.713 | S | S | * | * | trans | -80 | 90.3 | 167.4 | -71.3 | 179.5 | 179.5 | 178 | 0 | 106.7 | S359 | K357-S359 PolarHBondContact O-N 3.37Š| ||
| 358 | D | 31.8 | Very low | 40.9 | Very low | 147 Ų | 147 | 131 Ų | 131 | 79% | 0.786 | 70% | 0.704 | S | S | * | * | trans | -73.8 | 110.2 | 170.1 | -70.6 | -19.3 | 0 | 0 | 0 | 108.7 | P356 | P356-D358 VanDerWaalsContact C-N 3.34Å; P356-D358 PolarHBondContact O-N 3.37Å | ||
| 359 | S | 33.3 | Very low | 40.4 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 66% | 0.664 | 70% | 0.703 | S | S | * | * | trans | -74.9 | 136.7 | 165.8 | 42.7 | 0 | 0 | 0 | 0 | 110.2 | K357 | K357-S359 PolarHBondContact O-N 3.37Š| ||
| 360 | E | 32.1 | Very low | 39.6 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | trans | 59.3 | 100.6 | 145.7 | -65.3 | 172.9 | 168.8 | 0 | 0 | 118 | ||||
| 361 | V | 31 | Very low | 38.8 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | trans | -127.4 | 100.8 | 142.1 | -173.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 362 | E | 33.2 | Very low | 37.8 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | trans | -67.8 | 121.2 | 154 | -85.9 | -161.5 | 145.5 | 0 | 0 | 108.4 | ||||
| 363 | A | 33 | Very low | 37.1 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | trans | 174.9 | 124.9 | 141.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 364 | G | 33.6 | Very low | 36.3 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | trans | 121.2 | 46.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 365 | L | 34.9 | Very low | 35.8 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | trans | -135 | 67.3 | 161.9 | -79.5 | 169.5 | 0 | 0 | 0 | 110.6 | ||||
| 366 | H | 37 | Very low | 35.6 | Very low | 196 Ų | 196 | 138.9 Ų | 138.9 | 91% | 0.907 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -124.9 | 13.2 | 166.1 | -104.8 | -81.2 | 0 | 0 | 0 | 113.3 | ||
| 367 | G | 34.8 | Very low | 35.7 | Very low | 61 Ų | 61 | 142.2 Ų | 142.2 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -100.6 | -20 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 368 | T | 39.1 | Very low | 35.4 | Very low | 88 Ų | 88 | 142 Ų | 142 | 54% | 0.54 | 75% | 0.745 | S | S | . | * | S | Bend | trans | -105.3 | -5.3 | -166.5 | 36.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 369 | Q | 37.4 | Very low | 35.5 | Very low | 120 Ų | 120 | 144 Ų | 144 | 56% | 0.561 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -82.8 | -27.5 | 178.1 | -165.4 | 60.4 | 40.9 | 0 | 0 | 112.9 | Q371 | Q369-Q371 VanDerWaalsContact C-N 3.32Å; Q369-Q371 PolarHBondContact O-N 3.46Å |
| 370 | R | 34.1 | Very low | 35.7 | Very low | 222 Ų | 222 | 145 Ų | 145 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -15.8 | -179.5 | -78.1 | -174.3 | 178.7 | 176 | 0.3 | 114.8 | ||
| 371 | Q | 34.5 | Very low | 35.7 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -15.4 | 178.3 | -95.9 | 177.3 | -45.7 | 0 | 0 | 114 | Q369 | Q369-Q371 VanDerWaalsContact C-N 3.32Å; Q369-Q371 PolarHBondContact O-N 3.46Å |
| 372 | I | 40.6 | Very low | 35.9 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 50% | 0.497 | 75% | 0.754 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | -33.7 | 179.4 | -64.2 | 169.2 | 0 | 0 | 0 | 110.7 | Q374 W375 | I372-Q374 VanDerWaalsContact C-N 3.33Å; I372-Q374 PolarHBondContact O-N 3.18Å; I372-W375 PolarHBondContact O-N 3.33Å |
| 373 | D | 36.3 | Very low | 36 | Very low | 97 Ų | 97 | 144.2 Ų | 144.2 | 52% | 0.519 | 75% | 0.751 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.2 | -20.5 | -178.3 | -61.4 | -27.8 | 0 | 0 | 0 | 113.2 | W375 | D373-W375 VanDerWaalsContact C-N 3.34Š|
| 374 | Q | 36.4 | Very low | 36.2 | Very low | 169 Ų | 169 | 148 Ų | 148 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -14 | 175.5 | -164.8 | 161.1 | 80.5 | 0 | 0 | 113.3 | I372 | I372-Q374 VanDerWaalsContact C-N 3.33Å; I372-Q374 PolarHBondContact O-N 3.18Å |
| 375 | W | 35.1 | Very low | 36.5 | Very low | 196 Ų | 196 | 150.3 Ų | 150.3 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -88.9 | -11.1 | 177.8 | -111.7 | 83.6 | 0 | 0 | 0 | 114 | I372 D373 | I372-W375 PolarHBondContact O-N 3.33Å; D373-W375 VanDerWaalsContact C-N 3.34Å |
| 376 | N | 36.4 | Very low | 36.4 | Very low | 135 Ų | 135 | 151.2 Ų | 151.2 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -97 | 8.7 | -177.8 | -88.1 | -24.6 | 0 | 0 | 0 | 114.7 | ||
| 377 | L | 39.6 | Very low | 36.3 | Very low | 159 Ų | 159 | 146 Ų | 146 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -112.6 | 19.2 | -176.8 | -138 | 82 | 0 | 0 | 0 | 115.2 | ||
| 378 | K | 39.5 | Very low | 36.5 | Very low | 200 Ų | 200 | 150.6 Ų | 150.6 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | trans | -137.3 | 80.2 | 173.2 | -79.3 | -173.2 | 175.8 | -178.3 | 0 | 111.7 | ||||
| 379 | Q | 34.4 | Very low | 36.3 | Very low | 188 Ų | 188 | 154.9 Ų | 154.9 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -133.4 | 138.4 | 142.3 | -75.5 | -152.3 | -68.5 | 0 | 0 | 109.4 | ||||
| 380 | P | 35.9 | Very low | 36.3 | Very low | 116 Ų | 116 | 156.7 Ų | 156.7 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -78.9 | 148.7 | -172.2 | 31.4 | -34.2 | 0 | 0 | 0 | 113.1 | ||||
| 381 | D | 33.4 | Very low | 36.4 | Very low | 167 Ų | 167 | 153.2 Ų | 153.2 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -52.2 | 132.7 | 173 | -77 | -55.8 | 0 | 0 | 0 | 112.6 | ||||
| 382 | I | 34.7 | Very low | 36.5 | Very low | 166 Ų | 166 | 153.4 Ų | 153.4 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -115.7 | 120 | 163.1 | -63.3 | 178.6 | 0 | 0 | 0 | 107.3 | ||||
| 383 | M | 34.8 | Very low | 36.3 | Very low | 174 Ų | 174 | 156.7 Ų | 156.7 | 86% | 0.857 | 83% | 0.834 | S | S | * | * | trans | -55.7 | 138.1 | -176.5 | -65.3 | 159 | 57.8 | 0 | 0 | 113.3 | ||||
| 384 | E | 38.7 | Very low | 36.2 | Very low | 181 Ų | 181 | 160.4 Ų | 160.4 | 85% | 0.846 | 85% | 0.853 | S | S | * | * | trans | -66.4 | 146.2 | 160.6 | -66.2 | -168.3 | 144 | 0 | 0 | 110.9 | ||||
| 385 | P | 40.1 | Very low | 36.2 | Very low | 124 Ų | 124 | 159.9 Ų | 159.9 | 81% | 0.805 | 86% | 0.858 | S | S | * | * | trans | -105.8 | 126.5 | 147.5 | 23.2 | -7.4 | 0 | 0 | 0 | 110.3 | ||||
| 386 | H | 31.4 | Very low | 36.3 | Very low | 170 Ų | 170 | 157.3 Ų | 157.3 | 79% | 0.787 | 87% | 0.866 | S | S | * | * | trans | -46.6 | 140.6 | 165.6 | -117.4 | -98.3 | 0 | 0 | 0 | 112.6 | ||||
| 387 | A | 35.4 | Very low | 36.3 | Very low | 86 Ų | 86 | 159 Ų | 159 | 71% | 0.711 | 88% | 0.877 | S | S | * | * | trans | -87.1 | 140.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 388 | D | 38.3 | Very low | 36 | Very low | 158 Ų | 158 | 159 Ų | 159 | 85% | 0.845 | 88% | 0.881 | S | S | * | * | trans | -148.9 | 117.2 | 149.5 | -92.1 | -35 | 0 | 0 | 0 | 109.3 | ||||
| 389 | A | 36 | Very low | 35.7 | Very low | 178 Ų | 178 | 155.3 Ų | 155.3 | 100% | 1.471 | 88% | 0.882 | S | S | * | * | trans | 130.4 | 0 | 152.2 | 0 | 0 | 0 | 0 | 0 | 113.6 |
Retrieved 389 of 389 residues in 2251.7 ms
(Link to these results)