| 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 | 31 | Very low | 43.5 | Very low | 233 Ų | 233 | 146.9 Ų | 146.9 | 100% | 1.148 | 83% | 0.832 | S | S | * | * | 0 | 122.4 | 0 | -154.3 | 146.4 | 70.6 | 0 | 0 | 106.3 | |||||
| 2 | S | 33.2 | Very low | 44.1 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 75.2 | 95.8 | 167.3 | -39.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 3 | I | 37.4 | Very low | 44.8 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 82% | 0.821 | 81% | 0.809 | S | S | * | * | trans | -61.2 | 136.4 | 151.5 | -62.1 | 160.2 | 0 | 0 | 0 | 108.1 | ||||
| 4 | E | 35 | Very low | 45.3 | Very low | 199 Ų | 199 | 148.1 Ų | 148.1 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -142 | 117.6 | 141.4 | -75 | -156.3 | 160.9 | 0 | 0 | 109.8 | ||||
| 5 | A | 46.3 | Very low | 46.1 | Very low | 97 Ų | 97 | 148.9 Ų | 148.9 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -82 | 135.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 6 | S | 43.9 | Very low | 46.7 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -137.6 | 92.5 | 167.3 | -172.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 7 | G | 53.3 | Low | 47.2 | Very low | 75 Ų | 75 | 141.1 Ų | 141.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -88.3 | 136.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 8 | I | 54.2 | Low | 47.8 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -147.1 | 92.5 | 163.2 | -57.5 | -178.8 | 0 | 0 | 0 | 106 | ||||
| 9 | N | 43.7 | Very low | 48 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | 88.4 | 84.9 | 100.4 | -153.8 | 19.3 | 0 | 0 | 0 | 112.8 | F11 | N9-F11 PolarHBondContact O-N 2.94Š| |||
| 10 | M | 50.1 | Low | 48.3 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | -76.4 | 100.5 | 170.7 | -174.7 | 160.3 | 63.8 | 0 | 0 | 108.4 | L12 | M10-L12 PolarHBondContact O-N 3.35Š| ||
| 11 | F | 51 | Low | 48.4 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | trans | -72.3 | 91.7 | 178.1 | -155.2 | -99.9 | 0 | 0 | 0 | 109.3 | N9 M13 | N9-F11 PolarHBondContact O-N 2.94Å; F11-M13 HydrophobicContact CD1-CG 4.15Å; F11-M13 HydrophobicContact CD1-SD 4.06Å; F11-M13 HydrophobicContact CE1-SD 3.9Å; F11-M13 PolarHBondContact O-N 3.37Å | ||
| 12 | L | 50.4 | Low | 49.4 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | trans | -66.6 | 99.7 | 167.5 | -86.9 | 157.3 | 0 | 0 | 0 | 107.9 | M10 F14 | M10-L12 PolarHBondContact O-N 3.35Å; L12-F14 HydrophobicContact CB-CD2 4.39Å; L12-F14 HydrophobicContact CB-CE2 4.25Å; L12-F14 PolarHBondContact O-N 2.66Å | ||
| 13 | M | 53.5 | Low | 50.6 | Low | 148 Ų | 148 | 134.3 Ų | 134.3 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | trans | -63 | 92.5 | 164.1 | -70.9 | -83 | -87.6 | 0 | 0 | 107.2 | F11 L15 | F11-M13 HydrophobicContact CD1-CG 4.15Å; F11-M13 HydrophobicContact CD1-SD 4.06Å; F11-M13 HydrophobicContact CE1-SD 3.9Å; F11-M13 PolarHBondContact O-N 3.37Å; M13-L15 PolarHBondContact O-N 3.13Å | ||
| 14 | F | 51.4 | Low | 52.1 | Low | 188 Ų | 188 | 135.3 Ų | 135.3 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -63.7 | 93 | 164.9 | -82.1 | -86.6 | 0 | 0 | 0 | 107 | L12 A16 | L12-F14 HydrophobicContact CB-CD2 4.39Å; L12-F14 HydrophobicContact CB-CE2 4.25Å; L12-F14 PolarHBondContact O-N 2.66Å; F14-A16 PolarHBondContact O-N 3.43Å | ||
| 15 | L | 56.8 | Low | 54.2 | Low | 160 Ų | 160 | 129.8 Ų | 129.8 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -64 | 91.8 | 158.3 | -70.7 | 172.3 | 0 | 0 | 0 | 105.7 | M13 G17 | M13-L15 PolarHBondContact O-N 3.13Å; L15-G17 PolarHBondContact O-N 3.42Å | ||
| 16 | A | 56.2 | Low | 56.1 | Low | 94 Ų | 94 | 127.8 Ų | 127.8 | 78% | 0.777 | 73% | 0.731 | S | S | * | * | trans | -64.6 | 85.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | F14 S18 | F14-A16 PolarHBondContact O-N 3.43Å; A16-S18 VanDerWaalsContact C-N 3.26Å; A16-S18 PolarHBondContact O-N 2.81Å | ||
| 17 | G | 55.7 | Low | 58.3 | Low | 70 Ų | 70 | 123.6 Ų | 123.6 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | trans | -60.2 | 97.9 | 163 | 0 | 0 | 0 | 0 | 0 | 106.4 | L15 S19 | L15-G17 PolarHBondContact O-N 3.42Å; G17-S19 VanDerWaalsContact C-N 3.26Å; G17-S19 PolarHBondContact O-N 2.82Å | ||
| 18 | S | 56.6 | Low | 60.1 | Low | 103 Ų | 103 | 123.1 Ų | 123.1 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | trans | -60.9 | 100.9 | 162.1 | 49.8 | 0 | 0 | 0 | 0 | 105.5 | A16 L20 | A16-S18 VanDerWaalsContact C-N 3.26Å; A16-S18 PolarHBondContact O-N 2.81Å; S18-L20 VanDerWaalsContact C-N 3.3Å; S18-L20 PolarHBondContact O-N 3.28Å | ||
| 19 | S | 53 | Low | 62.1 | Low | 95 Ų | 95 | 116.5 Ų | 116.5 | 66% | 0.664 | 65% | 0.647 | S | S | * | * | trans | -56.6 | 104.6 | 163.4 | -176.5 | 0 | 0 | 0 | 0 | 105.1 | G17 E21 | G17-S19 VanDerWaalsContact C-N 3.26Å; G17-S19 PolarHBondContact O-N 2.82Å; S19-E21 PolarHBondContact O-N 2.82Å | ||
| 20 | L | 53.2 | Low | 64.6 | Low | 167 Ų | 167 | 113 Ų | 113 | 87% | 0.874 | 63% | 0.628 | S | S | * | * | trans | -66.9 | 90.9 | 159.6 | -79.4 | 164.6 | 0 | 0 | 0 | 103.9 | S18 G22 | S18-L20 VanDerWaalsContact C-N 3.3Å; S18-L20 PolarHBondContact O-N 3.28Å; L20-G22 PolarHBondContact O-N 2.91Å | ||
| 21 | E | 50.5 | Low | 66.9 | Low | 174 Ų | 174 | 107.1 Ų | 107.1 | 81% | 0.813 | 60% | 0.603 | S | S | * | * | trans | -61.9 | 87 | 161.7 | -76.3 | 167.5 | 163.4 | 0 | 0 | 105.5 | S19 Q23 | S19-E21 PolarHBondContact O-N 2.82Å; E21-Q23 PolarHBondContact O-N 2.79Å | ||
| 22 | G | 52.5 | Low | 69.1 | Low | 63 Ų | 63 | 99.8 Ų | 99.8 | 65% | 0.649 | 57% | 0.572 | S | S | * | * | trans | -56.4 | 110.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | L20 E24 | L20-G22 PolarHBondContact O-N 2.91Å; G22-E24 VanDerWaalsContact C-N 3.32Å; G22-E24 PolarHBondContact O-N 2.87Å | ||
| 23 | Q | 58.3 | Low | 71.4 | Confident | 168 Ų | 168 | 97.7 Ų | 97.7 | 79% | 0.785 | 56% | 0.561 | S | S | * | * | trans | -63.5 | 99.3 | 175.9 | -175.8 | 153.7 | 11.1 | 0 | 0 | 107.5 | E21 N25 | E21-Q23 PolarHBondContact O-N 2.79Å; Q23-N25 PolarHBondContact O-N 2.79Å | ||
| 24 | E | 69.2 | Low | 73.5 | Confident | 181 Ų | 181 | 91.2 Ų | 91.2 | 85% | 0.846 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 119.5 | 176.5 | -80.9 | -167.3 | 157.3 | 0 | 0 | 108.4 | G22 S26 | G22-E24 VanDerWaalsContact C-N 3.32Å; G22-E24 PolarHBondContact O-N 2.87Å; E24-S26 PolarHBondContact O-N 2.82Å; E24-S26 VanDerWaalsContact O-N 3.14Å |
| 25 | N | 79.1 | Confident | 75.7 | Confident | 84 Ų | 84 | 87.5 Ų | 87.5 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 116.9 | 172.9 | -74 | -37.9 | 0 | 0 | 0 | 108.7 | Q23 F27 S60 | Q23-N25 PolarHBondContact O-N 2.79Å; N25-F27 HydrophobicContact CB-CE2 3.73Å; N25-F27 HydrophobicContact CB-CZ 4.12Å; N25-F27 WeakPolarHBondContact O-CD2 3.42Å; N25-F27 WeakPolarHBondContact O-CE2 3.41Å; N25-S60 WeakPolarHBondContact OD1-CA 3.33Å |
| 26 | S | 85.4 | Confident | 77.7 | Confident | 55 Ų | 55 | 80 Ų | 80 | 39% | 0.385 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 146.1 | 175.4 | 69.7 | 0 | 0 | 0 | 0 | 110.4 | E24 T58 T59 | E24-S26 PolarHBondContact O-N 2.82Å; E24-S26 VanDerWaalsContact O-N 3.14Å; S26-T58 VanDerWaalsContact O-CA 3.26Å; S26-T58 WeakPolarHBondContact O-CA 3.42Å; S26-T58 PolarHBondContact O-OG1 3.08Å; S26-T59 PolarHBondContact N-OG1 2.72Å; S26-T59 PolarHBondContact O-N 2.68Å; S26-T59 VanDerWaalsContact O-N 3.1Å; S26-T59 WeakPolarHBondContact OG-CG2 2.89Å; S26-T59 PolarHBondContact OG-OG1 2.74Å; S26-T59 VanDerWaalsContact OG-OG1 3.13Å |
| 27 | F | 89.4 | Confident | 79.7 | Confident | 26 Ų | 26 | 78.5 Ų | 78.5 | 11% | 0.114 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 138.6 | 175.6 | -61.5 | -94.7 | 0 | 0 | 0 | 108.4 | N25 S57 T58 P64 V108 N109 K111 | N25-F27 HydrophobicContact CB-CE2 3.73Å; N25-F27 HydrophobicContact CB-CZ 4.12Å; N25-F27 WeakPolarHBondContact O-CD2 3.42Å; N25-F27 WeakPolarHBondContact O-CE2 3.41Å; F27-S57 CarbonylContact C-O 3.58Å; F27-S57 WeakPolarHBondContact CA-O 3.43Å; F27-T58 HydrophobicContact CD1-CG2 4.46Å; F27-T58 WeakPolarHBondContact CD1-OG1 3.49Å; F27-T58 HydrophobicContact CE1-CG2 4.26Å; F27-T58 WeakPolarHBondContact CE1-OG1 3.14Å; F27-T58 WeakPolarHBondContact CZ-OG1 3.45Å; F27-P64 HydrophobicContact CD1-CB 3.91Å; F27-P64 HydrophobicContact CD1-CG 4.02Å; F27-P64 HydrophobicContact CE1-CB 3.71Å; F27-P64 HydrophobicContact CE1-CG 4.01Å; F27-V108 HydrophobicContact CB-CG1 4.37Å; F27-V108 HydrophobicContact CD1-CG1 4.17Å; F27-V108 HydrophobicContact CG-CG1 4.45Å; F27-N109 VanDerWaalsContact CD1-ND2 3.34Å; F27-N109 WeakPolarHBondContact CD1-ND2 3.49Å; F27-N109 HydrophobicContact CD2-CB 3.97Å; F27-N109 WeakPolarHBondContact CD2-ND2 3.38Å; F27-N109 WeakPolarHBondContact CE1-ND2 3.01Å; F27-N109 HydrophobicContact CE2-CB 4.46Å; F27-N109 WeakPolarHBondContact CE2-ND2 3.46Å; F27-N109 HydrophobicContact CG-CB 4.23Å; F27-N109 VanDerWaalsContact CG-ND2 3.28Å; F27-N109 WeakPolarHBondContact CG-ND2 3.36Å; F27-N109 WeakPolarHBondContact CZ-ND2 2.99Å; F27-K111 WeakPolarHBondContact O-CD 3.4Å; F27-K111 WeakPolarHBondContact O-CE 3.43Å; F27-K111 PolarHBondContact O-NZ 3.02Å |
| 28 | T | 92.3 | Very high | 81.7 | Confident | 66 Ų | 66 | 79.9 Ų | 79.9 | 41% | 0.405 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 130.1 | 177.4 | -61.2 | 0 | 0 | 0 | 0 | 108.9 | N30 V56 S57 | T28-N30 PolarHBondContact O-N 2.67Å; T28-V56 WeakPolarHBondContact O-CA 3.29Å; T28-S57 PolarHBondContact N-O 2.77Å; T28-S57 PolarHBondContact O-N 2.73Å |
| 29 | I | 96.2 | Very high | 83.7 | Confident | 18 Ų | 18 | 79.3 Ų | 79.3 | 9% | 0.092 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 99.8 | 172.7 | -50.3 | 174.5 | 0 | 0 | 0 | 107.4 | V32 D55 V56 V106 V108 K111 K113 | I29-V32 HydrophobicContact CG2-CG2 3.51Å; I29-D55 CarbonylContact C-O 3.59Å; I29-V56 HydrophobicContact CG1-CG2 4.45Å; I29-V56 HydrophobicContact CG2-CG2 4.48Å; I29-V106 WeakPolarHBondContact CD1-O 3.26Å; I29-V108 HydrophobicContact CD1-CB 4.37Å; I29-V108 HydrophobicContact CD1-CG2 4.49Å; I29-V108 HydrophobicContact CG1-CB 4.47Å; I29-K111 HydrophobicContact CD1-CB 4.36Å; I29-K111 WeakPolarHBondContact CD1-O 3.27Å; I29-K113 HydrophobicContact CB-CB 4.19Å; I29-K113 HydrophobicContact CB-CD 4.43Å; I29-K113 HydrophobicContact CD1-CB 4.26Å; I29-K113 HydrophobicContact CG2-CB 3.86Å; I29-K113 HydrophobicContact CG2-CD 4.05Å |
| 30 | N | 96.3 | Very high | 85.8 | Confident | 64 Ų | 64 | 77.4 Ų | 77.4 | 34% | 0.342 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | -51.2 | -176.4 | -63.7 | -23 | 0 | 0 | 0 | 110.5 | T28 D55 S57 K113 | T28-N30 PolarHBondContact O-N 2.67Å; N30-D55 HydrophobicContact CB-CB 4.09Å; N30-D55 WeakPolarHBondContact CB-O 3.49Å; N30-D55 VanDerWaalsContact CB-OD2 3.24Å; N30-D55 WeakPolarHBondContact CB-OD2 3.41Å; N30-D55 PolarHBondContact N-O 2.76Å; N30-D55 PolarHBondContact ND2-OD2 2.87Å; N30-S57 PolarHBondContact ND2-OG 2.7Å; N30-K113 PolarHBondContact O-NZ 2.85Å |
| 31 | S | 97.1 | Very high | 88 | Confident | 41 Ų | 41 | 72.4 Ų | 72.4 | 29% | 0.287 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 158.6 | 175.3 | 74.4 | 0 | 0 | 0 | 0 | 111.2 | D33 A54 D55 | S31-D33 PolarHBondContact OG-OD2 2.95Å; S31-A54 WeakPolarHBondContact O-CA 3.41Å; S31-D55 PolarHBondContact O-N 3.44Å |
| 32 | V | 98.1 | Very high | 90.2 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.055 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 130.3 | 167.7 | -171.6 | 0 | 0 | 0 | 0 | 106.2 | I29 F53 V106 K113 T115 | I29-V32 HydrophobicContact CG2-CG2 3.51Å; V32-F53 CarbonylContact C-O 3.51Å; V32-F53 VanDerWaalsContact CA-O 3.28Å; V32-F53 WeakPolarHBondContact CA-O 2.82Å; V32-F53 WeakPolarHBondContact CG1-O 3.12Å; V32-V106 HydrophobicContact CG1-CB 4.3Å; V32-V106 HydrophobicContact CG1-CG2 3.53Å; V32-V106 HydrophobicContact CG2-CB 4.09Å; V32-V106 HydrophobicContact CG2-CG2 4.18Å; V32-K113 HydrophobicContact CG2-CB 3.72Å; V32-K113 HydrophobicContact CG2-CD 4.16Å; V32-K113 HydrophobicContact CG2-CG 3.87Å; V32-T115 HydrophobicContact CB-CG2 4.03Å; V32-T115 HydrophobicContact CG1-CG2 3.44Å; V32-T115 VanDerWaalsContact CG1-CG2 3.44Å |
| 33 | D | 98 | Very high | 92.4 | Very high | 78 Ų | 78 | 66.1 Ų | 66.1 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 148.9 | -175.7 | -66.6 | -74.9 | 0 | 0 | 0 | 109.9 | S31 F53 | S31-D33 PolarHBondContact OG-OD2 2.95Å; D33-F53 PolarHBondContact N-O 2.86Å; D33-F53 PolarHBondContact O-N 2.71Å |
| 34 | M | 98.2 | Very high | 94.2 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 5% | 0.054 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 145 | 174.8 | -155.3 | 171.2 | 175.1 | 0 | 0 | 110.2 | W40 L50 Q51 F70 C104 T115 Y118 | M34-W40 HydrophobicContact CB-CH2 4.19Å; M34-W40 HydrophobicContact CG-CH2 4.04Å; M34-W40 HydrophobicContact SD-CH2 4.45Å; M34-L50 HydrophobicContact CE-CB 3.69Å; M34-L50 HydrophobicContact CE-CD1 3.89Å; M34-L50 HydrophobicContact CE-CD2 4.12Å; M34-L50 HydrophobicContact CE-CG 4.11Å; M34-Q51 CarbonylContact C-O 3.59Å; M34-Q51 VanDerWaalsContact CA-O 3.27Å; M34-Q51 WeakPolarHBondContact CA-O 3.38Å; M34-Q51 VanDerWaalsContact CG-O 3.3Å; M34-Q51 WeakPolarHBondContact CG-O 3.36Å; M34-F70 HydrophobicContact CE-CD1 3.82Å; M34-F70 HydrophobicContact CE-CE1 4.1Å; M34-C104 HydrophobicContact SD-CB 4.29Å; M34-T115 HydrophobicContact CB-CG2 4.23Å; M34-Y118 HydrophobicContact CB-CD2 3.73Å; M34-Y118 HydrophobicContact CB-CE2 3.42Å; M34-Y118 VanDerWaalsContact CB-CE2 3.42Å; M34-Y118 HydrophobicContact SD-CD2 4.33Å |
| 35 | K | 98.3 | Very high | 95.5 | Very high | 110 Ų | 110 | 52.1 Ų | 52.1 | 48% | 0.478 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 138.3 | 174.7 | -168.1 | 176.5 | -179.6 | 179.3 | 0 | 110.2 | L37 Q51 F53 | K35-L37 HydrophobicContact CD-CD2 4.26Å; K35-Q51 PolarHBondContact N-O 2.82Å; K35-Q51 PolarHBondContact O-N 2.98Å; K35-F53 HydrophobicContact CB-CE2 3.75Å |
| 36 | S | 98.5 | Very high | 96.4 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 145.1 | 165.8 | 56 | 0 | 0 | 0 | 0 | 110.4 | D39 W40 T49 | S36-D39 WeakPolarHBondContact CB-O 3.41Å; S36-D39 PolarHBondContact OG-O 3.09Å; S36-W40 WeakPolarHBondContact OG-CA 3.47Å; S36-W40 VanDerWaalsContact OG-CE2 3.24Å; S36-W40 VanDerWaalsContact OG-CG 3.23Å; S36-W40 PolarHBondContact OG-N 3.31Å; S36-T49 CarbonylContact C-O 3.48Å; S36-T49 WeakPolarHBondContact CA-O 3.09Å |
| 37 | L | 98.3 | Very high | 97 | Very high | 62 Ų | 62 | 55.9 Ų | 55.9 | 33% | 0.325 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 126.2 | 169.9 | -61.7 | 175 | 0 | 0 | 0 | 108.6 | K35 T49 Q51 | K35-L37 HydrophobicContact CD-CD2 4.26Å; L37-T49 PolarHBondContact N-O 3.02Å; L37-T49 PolarHBondContact O-N 2.63Å; L37-Q51 HydrophobicContact CD1-CG 4.39Å; L37-Q51 VanDerWaalsContact CD1-OE1 3.25Å |
| 38 | P | 97.6 | Very high | 97.4 | Very high | 99 Ų | 99 | 54.7 Ų | 54.7 | 64% | 0.643 | 29% | 0.293 | S | S | * | . | S | Bend | cis | -78.4 | -31.4 | 7.7 | 30.7 | -35 | 0 | 0 | 0 | 114.8 | ||
| 39 | D | 98.1 | Very high | 97.7 | Very high | 91 Ų | 91 | 53.1 Ų | 53.1 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | trans | -157.6 | 173.6 | -177.8 | -158.7 | -6.4 | 0 | 0 | 0 | 110 | S36 T41 V42 | S36-D39 WeakPolarHBondContact CB-O 3.41Å; S36-D39 PolarHBondContact OG-O 3.09Å; D39-T41 VanDerWaalsContact C-N 3.3Å; D39-V42 WeakPolarHBondContact O-CG2 3.26Å | ||
| 40 | W | 98.2 | Very high | 97.8 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 21% | 0.208 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -73.3 | -23 | 175.4 | -64.9 | 106 | 0 | 0 | 0 | 112.8 | M34 S36 L50 Y118 V120 L121 | M34-W40 HydrophobicContact CB-CH2 4.19Å; M34-W40 HydrophobicContact CG-CH2 4.04Å; M34-W40 HydrophobicContact SD-CH2 4.45Å; S36-W40 WeakPolarHBondContact OG-CA 3.47Å; S36-W40 VanDerWaalsContact OG-CE2 3.24Å; S36-W40 VanDerWaalsContact OG-CG 3.23Å; S36-W40 PolarHBondContact OG-N 3.31Å; W40-L50 HydrophobicContact CZ3-CD2 4.17Å; W40-Y118 HydrophobicContact CD2-CD1 4.3Å; W40-Y118 AromaticContact CE2-CD1 3.56Å; W40-Y118 HydrophobicContact CE3-CG 4.48Å; W40-Y118 AromaticContact CH2-CD1 3.6Å; W40-Y118 HydrophobicContact CH2-CD1 3.6Å; W40-Y118 AromaticContact CH2-CD2 4Å; W40-Y118 HydrophobicContact CH2-CD2 4Å; W40-Y118 HydrophobicContact CH2-CE1 4.35Å; W40-Y118 AromaticContact CH2-CG 3.37Å; W40-Y118 HydrophobicContact CH2-CG 3.37Å; W40-Y118 AromaticContact CZ2-CD1 3.16Å; W40-Y118 HydrophobicContact CZ2-CD1 3.16Å; W40-Y118 HydrophobicContact CZ2-CD2 4.31Å; W40-Y118 AromaticContact CZ2-CE1 3.71Å; W40-Y118 HydrophobicContact CZ2-CE1 3.71Å; W40-Y118 AromaticContact CZ2-CG 3.51Å; W40-Y118 HydrophobicContact CZ2-CG 3.51Å; W40-Y118 HydrophobicContact CZ3-CD1 4.31Å; W40-Y118 AromaticContact CZ3-CG 3.9Å; W40-Y118 HydrophobicContact CZ3-CG 3.9Å; W40-V120 HydrophobicContact CE3-CG2 3.79Å; W40-V120 HydrophobicContact CZ3-CG2 4.02Å; W40-V120 WeakPolarHBondContact O-CA 3.21Å; W40-L121 PolarHBondContact O-N 2.92Å |
| 41 | T | 98.3 | Very high | 97.9 | Very high | 62 Ų | 62 | 51.1 Ų | 51.1 | 38% | 0.38 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.4 | 170.2 | -55.9 | 0 | 0 | 0 | 0 | 109.9 | D39 L121 E123 | D39-T41 VanDerWaalsContact C-N 3.3Å; T41-L121 CarbonylContact C-O 3.55Å; T41-L121 VanDerWaalsContact CA-O 3.29Å; T41-L121 WeakPolarHBondContact CA-O 3.19Å; T41-L121 HydrophobicContact CG2-CB 4.44Å; T41-L121 HydrophobicContact CG2-CD2 4.25Å; T41-L121 HydrophobicContact CG2-CG 4.41Å; T41-E123 VanDerWaalsContact CG2-CD 3.45Å; T41-E123 HydrophobicContact CG2-CG 3.74Å |
| 42 | V | 97.8 | Very high | 98 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 140.6 | -173.4 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | D39 K46 L48 V94 L121 V122 E123 | D39-V42 WeakPolarHBondContact O-CG2 3.26Å; V42-K46 HydrophobicContact CG1-CB 3.79Å; V42-L48 HydrophobicContact CG2-CD1 4.14Å; V42-V94 HydrophobicContact CB-CG1 4.26Å; V42-V94 HydrophobicContact CG1-CG1 3.82Å; V42-L121 PolarHBondContact N-O 2.82Å; V42-V122 CarbonylContact O-C 3.57Å; V42-V122 VanDerWaalsContact O-CA 3.25Å; V42-V122 WeakPolarHBondContact O-CA 3.49Å; V42-E123 PolarHBondContact O-N 3.13Å |
| 43 | Q | 97.4 | Very high | 98 | Very high | 101 Ų | 101 | 51.8 Ų | 51.8 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 142.4 | 174.9 | -64 | -63.6 | -51.9 | 0 | 0 | 111.5 | K46 E123 | Q43-K46 HydrophobicContact CB-CG 4.11Å; Q43-K46 VanDerWaalsContact O-CB 3.3Å; Q43-K46 WeakPolarHBondContact O-CB 3.33Å; Q43-K46 WeakPolarHBondContact O-CG 3.48Å; Q43-K46 PolarHBondContact O-N 3.18Å; Q43-K46 VanDerWaalsContact O-N 3.14Å; Q43-E123 CarbonylContact C-O 3.59Å; Q43-E123 PolarHBondContact NE2-OE2 3.43Å |
| 44 | N | 96.7 | Very high | 97.9 | Very high | 28 Ų | 28 | 48.5 Ų | 48.5 | 15% | 0.15 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 137.6 | 178.4 | -165.1 | -67.5 | 0 | 0 | 0 | 112.3 | K46 R95 V122 E123 G124 P126 E152 | N44-K46 PolarHBondContact O-N 3.4Å; N44-R95 PolarHBondContact OD1-NH1 3.14Å; N44-V122 HydrophobicContact CB-CG1 4.18Å; N44-E123 WeakPolarHBondContact CB-O 3.37Å; N44-E123 PolarHBondContact N-O 2.57Å; N44-G124 WeakPolarHBondContact CB-O 2.96Å; N44-G124 PolarHBondContact ND2-O 2.79Å; N44-P126 WeakPolarHBondContact OD1-CG 3.08Å; N44-E152 PolarHBondContact ND2-OE1 2.79Å |
| 45 | G | 95.9 | Very high | 97.8 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 28% | 0.278 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 2.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V94 | G45-V94 PolarHBondContact N-O 2.81Š|
| 46 | K | 97.5 | Very high | 97.6 | Very high | 133 Ų | 133 | 48 Ų | 48 | 58% | 0.578 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -86.2 | 161.2 | 169.4 | -61.7 | -61.4 | -175.5 | -177.5 | 0 | 111.2 | V42 Q43 N44 E93 V94 | V42-K46 HydrophobicContact CG1-CB 3.79Å; Q43-K46 HydrophobicContact CB-CG 4.11Å; Q43-K46 VanDerWaalsContact O-CB 3.3Å; Q43-K46 WeakPolarHBondContact O-CB 3.33Å; Q43-K46 WeakPolarHBondContact O-CG 3.48Å; Q43-K46 PolarHBondContact O-N 3.18Å; Q43-K46 VanDerWaalsContact O-N 3.14Å; N44-K46 PolarHBondContact O-N 3.4Å; K46-E93 CarbonylContact O-C 3.53Å; K46-E93 WeakPolarHBondContact O-CA 3.38Å; K46-V94 WeakPolarHBondContact O-CB 3.5Å; K46-V94 WeakPolarHBondContact O-CG1 3.33Å; K46-V94 PolarHBondContact O-N 2.79Å |
| 47 | N | 98.2 | Very high | 97.3 | Very high | 85 Ų | 85 | 50.6 Ų | 50.6 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | trans | -83.3 | 141.9 | 177.1 | -61.3 | -15.7 | 0 | 0 | 0 | 110.3 | F90 E93 | N47-F90 HydrophobicContact CB-CE2 3.69Å; N47-F90 HydrophobicContact CB-CZ 3.83Å; N47-E93 PolarHBondContact OD1-N 2.85Å; N47-E93 VanDerWaalsContact OD1-N 3.14Å | ||
| 48 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.3 | 176.3 | 169.4 | 62.1 | 0 | 0 | 0 | 109.2 | V42 L50 I91 V94 V120 | V42-L48 HydrophobicContact CG2-CD1 4.14Å; L48-L50 HydrophobicContact CD1-CD2 4.18Å; L48-L50 HydrophobicContact CD2-CD2 4.3Å; L48-L50 HydrophobicContact CG-CD2 4.3Å; L48-L50 HydrophobicContact CG-CG 4.49Å; L48-I91 HydrophobicContact CB-CB 4.36Å; L48-I91 HydrophobicContact CD2-CD1 4.08Å; L48-I91 HydrophobicContact CG-CD1 4.5Å; L48-I91 PolarHBondContact N-O 2.98Å; L48-I91 PolarHBondContact O-N 2.73Å; L48-V94 HydrophobicContact CB-CB 4.38Å; L48-V94 HydrophobicContact CB-CG2 4.41Å; L48-V94 HydrophobicContact CD2-CG2 4.15Å; L48-V120 HydrophobicContact CD2-CG1 3.75Å; L48-V120 HydrophobicContact CD2-CG2 4.42Å |
| 49 | T | 98.7 | Very high | 96.5 | Very high | 33 Ų | 33 | 49 Ų | 49 | 20% | 0.202 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.3 | 169.7 | -52.7 | 0 | 0 | 0 | 0 | 109.5 | S36 L37 Q51 Y89 | S36-T49 CarbonylContact C-O 3.48Å; S36-T49 WeakPolarHBondContact CA-O 3.09Å; L37-T49 PolarHBondContact N-O 3.02Å; L37-T49 PolarHBondContact O-N 2.63Å; T49-Q51 HydrophobicContact CG2-CG 3.97Å; T49-Y89 WeakPolarHBondContact CA-O 3.48Å |
| 50 | L | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.1 | 171.7 | -62.6 | 178.3 | 0 | 0 | 0 | 108.7 | M34 W40 L48 F77 S88 Y89 I91 Y102 V120 | M34-L50 HydrophobicContact CE-CB 3.69Å; M34-L50 HydrophobicContact CE-CD1 3.89Å; M34-L50 HydrophobicContact CE-CD2 4.12Å; M34-L50 HydrophobicContact CE-CG 4.11Å; W40-L50 HydrophobicContact CZ3-CD2 4.17Å; L48-L50 HydrophobicContact CD1-CD2 4.18Å; L48-L50 HydrophobicContact CD2-CD2 4.3Å; L48-L50 HydrophobicContact CG-CD2 4.3Å; L48-L50 HydrophobicContact CG-CG 4.49Å; L50-F77 HydrophobicContact CD1-CZ 4.29Å; L50-S88 CarbonylContact O-C 3.58Å; L50-S88 VanDerWaalsContact O-CA 3.23Å; L50-S88 WeakPolarHBondContact O-CA 3.12Å; L50-Y89 PolarHBondContact N-O 3.43Å; L50-Y89 PolarHBondContact O-N 2.99Å; L50-I91 HydrophobicContact CD1-CD1 4.19Å; L50-Y102 HydrophobicContact CD1-CD1 3.41Å; L50-Y102 VanDerWaalsContact CD1-CD1 3.41Å; L50-Y102 HydrophobicContact CD1-CE1 3.43Å; L50-Y102 VanDerWaalsContact CD1-CE1 3.43Å; L50-Y102 HydrophobicContact CD1-CG 4.14Å; L50-V120 HydrophobicContact CD2-CG2 4.2Å |
| 51 | Q | 98.5 | Very high | 95.1 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.2 | -179.2 | -53.5 | -164.8 | -71.9 | 0 | 0 | 109.7 | M34 K35 L37 T49 F53 E87 S88 | M34-Q51 CarbonylContact C-O 3.59Å; M34-Q51 VanDerWaalsContact CA-O 3.27Å; M34-Q51 WeakPolarHBondContact CA-O 3.38Å; M34-Q51 VanDerWaalsContact CG-O 3.3Å; M34-Q51 WeakPolarHBondContact CG-O 3.36Å; K35-Q51 PolarHBondContact N-O 2.82Å; K35-Q51 PolarHBondContact O-N 2.98Å; L37-Q51 HydrophobicContact CD1-CG 4.39Å; L37-Q51 VanDerWaalsContact CD1-OE1 3.25Å; T49-Q51 HydrophobicContact CG2-CG 3.97Å; Q51-F53 HydrophobicContact CB-CD2 4.36Å; Q51-F53 HydrophobicContact CB-CE2 3.39Å; Q51-F53 HydrophobicContact CB-CZ 3.51Å; Q51-F53 HydrophobicContact CG-CZ 4.31Å; Q51-E87 WeakPolarHBondContact CA-O 3.45Å; Q51-S88 WeakPolarHBondContact CG-OG 3.37Å; Q51-S88 PolarHBondContact NE2-OG 2.85Å; Q51-S88 VanDerWaalsContact NE2-OG 3.15Å |
| 52 | C | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.6 | 174.5 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | F70 T86 E87 C104 | C52-F70 HydrophobicContact CB-CE1 3.75Å; C52-F70 HydrophobicContact CB-CE2 4.29Å; C52-F70 HydrophobicContact CB-CZ 3.49Å; C52-F70 VanDerWaalsContact CB-CZ 3.49Å; C52-T86 VanDerWaalsContact O-CA 3.25Å; C52-T86 WeakPolarHBondContact O-CA 3.48Å; C52-E87 PolarHBondContact N-O 2.81Å; C52-E87 PolarHBondContact O-N 2.8Å; C52-C104 HydrophobicContact CB-CB 3.71Å; C52-C104 WeakPolarHBondContact CB-SG 3.48Å; C52-C104 WeakPolarHBondContact SG-CB 3.21Å; C52-C104 CovalentContact SG-SG 2.03Å; C52-C104 PolarHBondContact SG-SG 2.81Å |
| 53 | F | 97.4 | Very high | 93.7 | Very high | 63 Ų | 63 | 61.6 Ų | 61.6 | 28% | 0.276 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 140 | -177.3 | -52 | -98.9 | 0 | 0 | 0 | 109.1 | V32 D33 K35 Q51 T86 | V32-F53 CarbonylContact C-O 3.51Å; V32-F53 VanDerWaalsContact CA-O 3.28Å; V32-F53 WeakPolarHBondContact CA-O 2.82Å; V32-F53 WeakPolarHBondContact CG1-O 3.12Å; D33-F53 PolarHBondContact N-O 2.86Å; D33-F53 PolarHBondContact O-N 2.71Å; K35-F53 HydrophobicContact CB-CE2 3.75Å; Q51-F53 HydrophobicContact CB-CD2 4.36Å; Q51-F53 HydrophobicContact CB-CE2 3.39Å; Q51-F53 HydrophobicContact CB-CZ 3.51Å; Q51-F53 HydrophobicContact CG-CZ 4.31Å; F53-T86 HydrophobicContact CD1-CG2 3.35Å; F53-T86 WeakPolarHBondContact CD1-OG1 3.33Å; F53-T86 HydrophobicContact CE1-CG2 3.33Å; F53-T86 HydrophobicContact CG-CG2 4.1Å; F53-T86 HydrophobicContact CZ-CG2 4.07Å |
| 54 | A | 97.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 57.6 Ų | 57.6 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S31 V56 S85 V106 | S31-A54 WeakPolarHBondContact O-CA 3.41Å; A54-V56 HydrophobicContact CB-CG2 3.96Å; A54-S85 PolarHBondContact N-O 2.86Å; A54-S85 WeakPolarHBondContact O-CB 3.4Å; A54-V106 HydrophobicContact CB-CB 4.37Å; A54-V106 HydrophobicContact CB-CG1 3.89Å; A54-V106 HydrophobicContact CB-CG2 4.19Å |
| 55 | D | 95.9 | Very high | 93.2 | Very high | 81 Ų | 81 | 61.7 Ų | 61.7 | 43% | 0.433 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 115.8 | 163 | -179.9 | 25.8 | 0 | 0 | 0 | 108.6 | I29 N30 S31 | I29-D55 CarbonylContact C-O 3.59Å; N30-D55 HydrophobicContact CB-CB 4.09Å; N30-D55 WeakPolarHBondContact CB-O 3.49Å; N30-D55 VanDerWaalsContact CB-OD2 3.24Å; N30-D55 WeakPolarHBondContact CB-OD2 3.41Å; N30-D55 PolarHBondContact N-O 2.76Å; N30-D55 PolarHBondContact ND2-OD2 2.87Å; S31-D55 PolarHBondContact O-N 3.44Å |
| 56 | V | 94.3 | Very high | 93.2 | Very high | 30 Ų | 30 | 60.9 Ų | 60.9 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 121.4 | -174.4 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | T28 I29 A54 P64 V108 | T28-V56 WeakPolarHBondContact O-CA 3.29Å; I29-V56 HydrophobicContact CG1-CG2 4.45Å; I29-V56 HydrophobicContact CG2-CG2 4.48Å; A54-V56 HydrophobicContact CB-CG2 3.96Å; V56-P64 HydrophobicContact CG1-CG 4.18Å; V56-V108 HydrophobicContact CG1-CG1 4.4Å; V56-V108 HydrophobicContact CG2-CG2 4.31Å |
| 57 | S | 92.3 | Very high | 93.2 | Very high | 58 Ų | 58 | 57.6 Ų | 57.6 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 138.8 | 171.5 | -69.2 | 0 | 0 | 0 | 0 | 110.5 | F27 T28 N30 | F27-S57 CarbonylContact C-O 3.58Å; F27-S57 WeakPolarHBondContact CA-O 3.43Å; T28-S57 PolarHBondContact N-O 2.77Å; T28-S57 PolarHBondContact O-N 2.73Å; N30-S57 PolarHBondContact ND2-OG 2.7Å |
| 58 | T | 89.9 | Confident | 93.2 | Very high | 50 Ų | 50 | 53.6 Ų | 53.6 | 31% | 0.307 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 144.7 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | S26 F27 S60 | S26-T58 VanDerWaalsContact O-CA 3.26Å; S26-T58 WeakPolarHBondContact O-CA 3.42Å; S26-T58 PolarHBondContact O-OG1 3.08Å; F27-T58 HydrophobicContact CD1-CG2 4.46Å; F27-T58 WeakPolarHBondContact CD1-OG1 3.49Å; F27-T58 HydrophobicContact CE1-CG2 4.26Å; F27-T58 WeakPolarHBondContact CE1-OG1 3.14Å; F27-T58 WeakPolarHBondContact CZ-OG1 3.45Å; T58-S60 VanDerWaalsContact C-N 3.25Å; T58-S60 WeakPolarHBondContact OG1-CB 3.35Å; T58-S60 PolarHBondContact OG1-N 2.83Å |
| 59 | T | 87.9 | Confident | 93.2 | Very high | 76 Ų | 76 | 54.3 Ų | 54.3 | 47% | 0.466 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -84 | -5.1 | 168.3 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | S26 | S26-T59 PolarHBondContact N-OG1 2.72Å; S26-T59 PolarHBondContact O-N 2.68Å; S26-T59 VanDerWaalsContact O-N 3.1Å; S26-T59 WeakPolarHBondContact OG-CG2 2.89Å; S26-T59 PolarHBondContact OG-OG1 2.74Å; S26-T59 VanDerWaalsContact OG-OG1 3.13Å |
| 60 | S | 84.3 | Confident | 93.2 | Very high | 15 Ų | 15 | 52.8 Ų | 52.8 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | trans | -75.2 | 142.7 | 177.3 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | N25 T58 V62 | N25-S60 WeakPolarHBondContact OD1-CA 3.33Å; T58-S60 VanDerWaalsContact C-N 3.25Å; T58-S60 WeakPolarHBondContact OG1-CB 3.35Å; T58-S60 PolarHBondContact OG1-N 2.83Å; S60-V62 PolarHBondContact O-N 2.93Å; S60-V62 PolarHBondContact OG-N 2.85Å; S60-V62 PolarHBondContact OG-O 2.9Å | ||
| 61 | H | 82.6 | Confident | 93.2 | Very high | 197 Ų | 197 | 55.2 Ų | 55.2 | 91% | 0.912 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -74.9 | -11.6 | 166.7 | -59.6 | -60.1 | 0 | 0 | 0 | 113 | ||
| 62 | V | 84.4 | Confident | 93.2 | Very high | 104 Ų | 104 | 55.4 Ų | 55.4 | 63% | 0.63 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -98.7 | 126 | 179.4 | -175 | 0 | 0 | 0 | 0 | 109.3 | S60 | S60-V62 PolarHBondContact O-N 2.93Å; S60-V62 PolarHBondContact OG-N 2.85Å; S60-V62 PolarHBondContact OG-O 2.9Å |
| 63 | K | 84.1 | Confident | 93.2 | Very high | 162 Ų | 162 | 59 Ų | 59 | 70% | 0.704 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 129.3 | 172.9 | -68.3 | -173.9 | 178.5 | -176.4 | 0 | 109.5 | M83 | K63-M83 HydrophobicContact CB-CE 4.07Å; K63-M83 WeakPolarHBondContact O-CE 3.25Å |
| 64 | P | 89.3 | Confident | 93.3 | Very high | 17 Ų | 17 | 61.3 Ų | 61.3 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 152.5 | 177.3 | 26.2 | -30.7 | 0 | 0 | 0 | 111.3 | F27 V56 H66 V108 | F27-P64 HydrophobicContact CD1-CB 3.91Å; F27-P64 HydrophobicContact CD1-CG 4.02Å; F27-P64 HydrophobicContact CE1-CB 3.71Å; F27-P64 HydrophobicContact CE1-CG 4.01Å; V56-P64 HydrophobicContact CG1-CG 4.18Å; P64-H66 PolarHBondContact O-CE1 3.16Å; P64-H66 VanDerWaalsContact O-CE1 3.23Å; P64-H66 PolarHBondContact O-ND1 3.19Å; P64-V108 HydrophobicContact CB-CG1 3.56Å; P64-V108 HydrophobicContact CG-CG1 4.04Å |
| 65 | Q | 93.7 | Very high | 93.3 | Very high | 115 Ų | 115 | 65.5 Ų | 65.5 | 54% | 0.537 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 139.7 | 160.2 | -170.8 | 174.9 | 8.4 | 0 | 0 | 108.7 | S81 M83 | Q65-S81 VanDerWaalsContact NE2-CB 3.27Å; Q65-M83 HydrophobicContact CB-SD 3.88Å; Q65-M83 HydrophobicContact CG-SD 4.24Å |
| 66 | H | 95.9 | Very high | 93.5 | Very high | 9 Ų | 9 | 65.4 Ų | 65.4 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.1 | 178.4 | -51.3 | 77.6 | 0 | 0 | 0 | 107.9 | P64 M68 S81 S82 K84 V106 V108 | P64-H66 PolarHBondContact O-CE1 3.16Å; P64-H66 VanDerWaalsContact O-CE1 3.23Å; P64-H66 PolarHBondContact O-ND1 3.19Å; H66-M68 HydrophobicContact CB-CE 3.29Å; H66-M68 HydrophobicContact CB-SD 3.38Å; H66-M68 WeakPolarHBondContact CB-SD 3.04Å; H66-S81 CarbonylContact O-C 3.56Å; H66-S81 WeakPolarHBondContact O-CA 3.39Å; H66-S82 PolarHBondContact N-O 3.2Å; H66-S82 PolarHBondContact ND1-O 2.87Å; H66-S82 PolarHBondContact O-N 2.78Å; H66-K84 PolarHBondContact ND1-O 2.99Å; H66-V106 HydrophobicContact CB-CG1 4.44Å; H66-V108 HydrophobicContact CB-CG2 4.24Å; H66-V108 VanDerWaalsContact CD2-CG2 3.46Å; H66-V108 WeakPolarHBondContact CD2-CG2 3.42Å |
| 67 | Q | 97.8 | Very high | 93.6 | Very high | 65 Ų | 65 | 67 Ų | 67 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.3 | 167.7 | -178.3 | 178.7 | 8.6 | 0 | 0 | 108.6 | L69 N79 I80 V106 I107 | Q67-L69 HydrophobicContact CG-CD2 4.1Å; Q67-N79 PolarHBondContact NE2-ND2 2.72Å; Q67-N79 PolarHBondContact NE2-OD1 3.37Å; Q67-N79 VanDerWaalsContact NE2-OD1 3.11Å; Q67-I80 CarbonylContact C-O 3.57Å; Q67-I80 WeakPolarHBondContact CA-O 3.49Å; Q67-V106 CarbonylContact O-C 3.48Å; Q67-V106 WeakPolarHBondContact O-CA 3.49Å; Q67-I107 HydrophobicContact CB-CB 4.26Å; Q67-I107 PolarHBondContact N-O 3.46Å; Q67-I107 PolarHBondContact O-N 2.98Å |
| 68 | M | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.4 | -178.9 | -68.9 | 67.4 | 168.6 | 0 | 0 | 109.4 | H66 F70 N79 I80 K84 E87 T105 V106 | H66-M68 HydrophobicContact CB-CE 3.29Å; H66-M68 HydrophobicContact CB-SD 3.38Å; H66-M68 WeakPolarHBondContact CB-SD 3.04Å; M68-F70 HydrophobicContact CB-CE2 3.93Å; M68-N79 WeakPolarHBondContact O-CA 3.39Å; M68-I80 HydrophobicContact CB-CG2 3.89Å; M68-I80 PolarHBondContact N-O 2.83Å; M68-I80 PolarHBondContact O-N 2.83Å; M68-K84 VanDerWaalsContact CE-O 3.3Å; M68-K84 WeakPolarHBondContact CE-O 3.37Å; M68-E87 HydrophobicContact CE-CG 4.29Å; M68-E87 HydrophobicContact CG-CB 4.3Å; M68-E87 HydrophobicContact CG-CG 4.44Å; M68-E87 HydrophobicContact SD-CG 4.24Å; M68-T105 WeakPolarHBondContact CA-O 3.29Å; M68-V106 HydrophobicContact CG-CG2 4.1Å |
| 69 | L | 98.6 | Very high | 94.3 | Very high | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116.2 | -179 | -56 | -179.1 | 0 | 0 | 0 | 109 | Q67 Y71 L76 N79 C104 T105 I107 | Q67-L69 HydrophobicContact CG-CD2 4.1Å; L69-Y71 HydrophobicContact CB-CD2 4.43Å; L69-Y71 HydrophobicContact CB-CE2 3.52Å; L69-Y71 WeakPolarHBondContact CD1-OH 3.25Å; L69-Y71 WeakPolarHBondContact O-CD2 3.39Å; L69-L76 HydrophobicContact CB-CD1 3.82Å; L69-L76 HydrophobicContact CD2-CD1 4.15Å; L69-N79 HydrophobicContact CD2-CB 3.77Å; L69-N79 WeakPolarHBondContact CD2-OD1 3.44Å; L69-C104 CarbonylContact O-C 3.54Å; L69-C104 VanDerWaalsContact O-CA 3.28Å; L69-C104 WeakPolarHBondContact O-CA 3.39Å; L69-T105 PolarHBondContact N-O 2.88Å; L69-T105 PolarHBondContact O-N 2.97Å; L69-I107 HydrophobicContact CD1-CD1 3.77Å |
| 70 | F | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.8 | 178.7 | -64.9 | -112.2 | 0 | 0 | 0 | 110.5 | M34 C52 M68 L76 F77 Y78 I80 | M34-F70 HydrophobicContact CE-CD1 3.82Å; M34-F70 HydrophobicContact CE-CE1 4.1Å; C52-F70 HydrophobicContact CB-CE1 3.75Å; C52-F70 HydrophobicContact CB-CE2 4.29Å; C52-F70 HydrophobicContact CB-CZ 3.49Å; C52-F70 VanDerWaalsContact CB-CZ 3.49Å; M68-F70 HydrophobicContact CB-CE2 3.93Å; F70-L76 WeakPolarHBondContact O-CD1 3.36Å; F70-F77 HydrophobicContact CB-CD1 4.4Å; F70-F77 HydrophobicContact CB-CE1 3.71Å; F70-F77 HydrophobicContact CB-CE2 3.98Å; F70-F77 HydrophobicContact CB-CZ 3.47Å; F70-F77 VanDerWaalsContact CB-CZ 3.47Å; F70-F77 HydrophobicContact CD1-CZ 4.41Å; F70-F77 HydrophobicContact CG-CZ 4.33Å; F70-F77 WeakPolarHBondContact O-CD1 3.39Å; F70-F77 PolarHBondContact O-N 2.94Å; F70-Y78 AromaticContact CD2-CD1 3.6Å; F70-Y78 HydrophobicContact CD2-CD1 3.6Å; F70-Y78 HydrophobicContact CD2-CE1 4.45Å; F70-Y78 HydrophobicContact CD2-CG 4.45Å; F70-Y78 AromaticContact CE2-CD1 3.84Å; F70-Y78 HydrophobicContact CE2-CD1 3.84Å; F70-Y78 HydrophobicContact CE2-CE1 4.27Å; F70-Y78 HydrophobicContact CG-CD1 4.26Å; F70-Y78 PolarHBondContact N-O 2.99Å; F70-Y78 PolarHBondContact O-N 2.95Å; F70-I80 HydrophobicContact CE2-CG2 4.43Å |
| 71 | Y | 98.8 | Very high | 95.4 | Very high | 52 Ų | 52 | 69.6 Ų | 69.6 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 142.4 | -178.2 | -61.8 | -97 | 0 | 0 | 0 | 110.4 | L69 V75 L76 F77 Y102 K103 | L69-Y71 HydrophobicContact CB-CD2 4.43Å; L69-Y71 HydrophobicContact CB-CE2 3.52Å; L69-Y71 WeakPolarHBondContact CD1-OH 3.25Å; L69-Y71 WeakPolarHBondContact O-CD2 3.39Å; Y71-V75 VanDerWaalsContact CA-O 3.3Å; Y71-V75 WeakPolarHBondContact CA-O 3.42Å; Y71-L76 HydrophobicContact CD1-CB 4Å; Y71-L76 HydrophobicContact CE1-CB 3.71Å; Y71-L76 HydrophobicContact CE1-CD1 4.17Å; Y71-L76 HydrophobicContact CE1-CG 4.5Å; Y71-L76 HydrophobicContact CE2-CD1 4.26Å; Y71-F77 VanDerWaalsContact C-CE1 3.44Å; Y71-Y102 WeakPolarHBondContact O-CA 3.46Å; Y71-K103 HydrophobicContact CD2-CG 4.36Å; Y71-K103 HydrophobicContact CG-CG 4.4Å; Y71-K103 PolarHBondContact N-O 3.11Å; Y71-K103 PolarHBondContact O-N 2.78Å; Y71-K103 VanDerWaalsContact O-N 3.13Å |
| 72 | K | 98.6 | Very high | 96 | Very high | 44 Ų | 44 | 61.2 Ų | 61.2 | 19% | 0.191 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 121.3 | 168.8 | -175.3 | -165.8 | -170.7 | -122.3 | 0 | 106.9 | D74 V75 F77 Y97 D98 S99 T101 Y102 | K72-D74 PolarHBondContact O-N 3.26Å; K72-V75 PolarHBondContact N-O 3.15Å; K72-V75 WeakPolarHBondContact O-CB 3.3Å; K72-V75 PolarHBondContact O-N 2.81Å; K72-F77 HydrophobicContact CB-CD1 3.63Å; K72-F77 HydrophobicContact CB-CE1 3.87Å; K72-Y97 PolarHBondContact NZ-O 2.91Å; K72-D98 VanDerWaalsContact CE-O 3.25Å; K72-D98 WeakPolarHBondContact CE-O 3.23Å; K72-S99 WeakPolarHBondContact CE-O 3.19Å; K72-S99 PolarHBondContact NZ-O 2.82Å; K72-T101 CarbonylContact C-O 3.56Å; K72-T101 WeakPolarHBondContact CA-O 3.19Å; K72-Y102 HydrophobicContact CB-CD1 4.2Å; K72-Y102 HydrophobicContact CB-CE1 3.81Å; K72-Y102 HydrophobicContact CD-CE1 4.3Å; K72-Y102 HydrophobicContact CD-CE2 4.3Å; K72-Y102 WeakPolarHBondContact CD-OH 3.39Å; K72-Y102 WeakPolarHBondContact CE-OH 3.46Å; K72-Y102 HydrophobicContact CG-CD1 4.43Å; K72-Y102 HydrophobicContact CG-CD2 4.46Å; K72-Y102 HydrophobicContact CG-CE1 3.87Å; K72-Y102 HydrophobicContact CG-CE2 3.89Å |
| 73 | D | 98.3 | Very high | 96.5 | Very high | 76 Ų | 76 | 61.4 Ų | 61.4 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 47.3 | -179.2 | -51.1 | -46.1 | 0 | 0 | 0 | 110.9 | V75 G100 T101 | D73-V75 PolarHBondContact O-N 2.94Å; D73-V75 VanDerWaalsContact O-N 3.08Å; D73-G100 WeakPolarHBondContact OD1-CA 3.46Å; D73-T101 PolarHBondContact N-O 3.45Å; D73-T101 PolarHBondContact OD1-N 2.62Å |
| 74 | D | 98.2 | Very high | 97 | Very high | 111 Ų | 111 | 60.2 Ų | 60.2 | 59% | 0.594 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 3.2 | -175.2 | -63.7 | -51.9 | 0 | 0 | 0 | 116.9 | K72 K103 | K72-D74 PolarHBondContact O-N 3.26Å; D74-K103 WeakPolarHBondContact OD1-CE 3.24Å; D74-K103 IonicContact OD1-NZ 2.83Å; D74-K103 PolarHBondContact OD1-NZ 2.85Å |
| 75 | V | 98.4 | Very high | 97.2 | Very high | 98 Ų | 98 | 62 Ų | 62 | 59% | 0.594 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.7 | 176.3 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | Y71 K72 D73 F77 | Y71-V75 VanDerWaalsContact CA-O 3.3Å; Y71-V75 WeakPolarHBondContact CA-O 3.42Å; K72-V75 PolarHBondContact N-O 3.15Å; K72-V75 WeakPolarHBondContact O-CB 3.3Å; K72-V75 PolarHBondContact O-N 2.81Å; D73-V75 PolarHBondContact O-N 2.94Å; D73-V75 VanDerWaalsContact O-N 3.08Å; V75-F77 PolarHBondContact O-N 3.08Å |
| 76 | L | 98.5 | Very high | 97.4 | Very high | 78 Ų | 78 | 58.5 Ų | 58.5 | 41% | 0.408 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 117.1 | 173 | 179 | 66.1 | 0 | 0 | 0 | 109.6 | L69 F70 Y71 Y78 | L69-L76 HydrophobicContact CB-CD1 3.82Å; L69-L76 HydrophobicContact CD2-CD1 4.15Å; F70-L76 WeakPolarHBondContact O-CD1 3.36Å; Y71-L76 HydrophobicContact CD1-CB 4Å; Y71-L76 HydrophobicContact CE1-CB 3.71Å; Y71-L76 HydrophobicContact CE1-CD1 4.17Å; Y71-L76 HydrophobicContact CE1-CG 4.5Å; Y71-L76 HydrophobicContact CE2-CD1 4.26Å; L76-Y78 WeakPolarHBondContact CD1-O 3.4Å |
| 77 | F | 98.1 | Very high | 97.5 | Very high | 65 Ų | 65 | 59.5 Ų | 59.5 | 29% | 0.285 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | -17.4 | 178.4 | 72.4 | -94.9 | 0 | 0 | 0 | 113.3 | L50 F70 Y71 K72 V75 Y89 Y102 | L50-F77 HydrophobicContact CD1-CZ 4.29Å; F70-F77 HydrophobicContact CB-CD1 4.4Å; F70-F77 HydrophobicContact CB-CE1 3.71Å; F70-F77 HydrophobicContact CB-CE2 3.98Å; F70-F77 HydrophobicContact CB-CZ 3.47Å; F70-F77 VanDerWaalsContact CB-CZ 3.47Å; F70-F77 HydrophobicContact CD1-CZ 4.41Å; F70-F77 HydrophobicContact CG-CZ 4.33Å; F70-F77 WeakPolarHBondContact O-CD1 3.39Å; F70-F77 PolarHBondContact O-N 2.94Å; Y71-F77 VanDerWaalsContact C-CE1 3.44Å; K72-F77 HydrophobicContact CB-CD1 3.63Å; K72-F77 HydrophobicContact CB-CE1 3.87Å; V75-F77 PolarHBondContact O-N 3.08Å; F77-Y89 HydrophobicContact CD2-CD1 4.41Å; F77-Y89 AromaticContact CD2-CE1 4Å; F77-Y89 HydrophobicContact CD2-CE1 4Å; F77-Y89 HydrophobicContact CD2-CE2 4.27Å; F77-Y89 AromaticContact CD2-CZ 3.93Å; F77-Y89 AromaticContact CE2-CD1 3.5Å; F77-Y89 HydrophobicContact CE2-CD1 3.5Å; F77-Y89 HydrophobicContact CE2-CD2 4.1Å; F77-Y89 AromaticContact CE2-CE1 3.49Å; F77-Y89 HydrophobicContact CE2-CE1 3.49Å; F77-Y89 VanDerWaalsContact CE2-CE1 3.49Å; F77-Y89 HydrophobicContact CE2-CE2 4.12Å; F77-Y89 AromaticContact CE2-CG 3.79Å; F77-Y89 HydrophobicContact CE2-CG 3.79Å; F77-Y89 AromaticContact CE2-CZ 3.83Å; F77-Y89 HydrophobicContact CZ-CD1 4.25Å; F77-Y89 HydrophobicContact CZ-CE1 4.47Å; F77-Y102 AromaticContact CE1-CD1 3.72Å; F77-Y102 HydrophobicContact CE1-CD1 3.72Å; F77-Y102 AromaticContact CE1-CE1 3.61Å; F77-Y102 HydrophobicContact CE1-CE1 3.61Å; F77-Y102 AromaticContact CZ-CD1 3.98Å; F77-Y102 HydrophobicContact CZ-CD1 3.98Å; F77-Y102 AromaticContact CZ-CE1 3.75Å; F77-Y102 HydrophobicContact CZ-CE1 3.75Å |
| 78 | Y | 98.4 | Very high | 97.5 | Very high | 69 Ų | 69 | 58.6 Ų | 58.6 | 27% | 0.271 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 132.5 | 177.9 | -173.3 | -120.4 | 0 | 0 | 0 | 111.5 | F70 L76 I80 Y89 | F70-Y78 AromaticContact CD2-CD1 3.6Å; F70-Y78 HydrophobicContact CD2-CD1 3.6Å; F70-Y78 HydrophobicContact CD2-CE1 4.45Å; F70-Y78 HydrophobicContact CD2-CG 4.45Å; F70-Y78 AromaticContact CE2-CD1 3.84Å; F70-Y78 HydrophobicContact CE2-CD1 3.84Å; F70-Y78 HydrophobicContact CE2-CE1 4.27Å; F70-Y78 HydrophobicContact CG-CD1 4.26Å; F70-Y78 PolarHBondContact N-O 2.99Å; F70-Y78 PolarHBondContact O-N 2.95Å; L76-Y78 WeakPolarHBondContact CD1-O 3.4Å; Y78-I80 HydrophobicContact CD1-CG2 4.35Å; Y78-I80 HydrophobicContact CE1-CB 3.95Å; Y78-I80 HydrophobicContact CE1-CG2 3.72Å; Y78-Y89 AromaticContact CD1-CD2 3.68Å; Y78-Y89 HydrophobicContact CD1-CD2 3.68Å; Y78-Y89 HydrophobicContact CD1-CG 4.3Å; Y78-Y89 AromaticContact CD2-CD2 3.82Å; Y78-Y89 HydrophobicContact CD2-CD2 3.82Å; Y78-Y89 AromaticContact CD2-CE2 3.96Å; Y78-Y89 HydrophobicContact CD2-CE2 3.96Å; Y78-Y89 HydrophobicContact CE1-CD2 4.11Å; Y78-Y89 HydrophobicContact CE2-CD2 4.24Å; Y78-Y89 AromaticContact CG-CD2 3.53Å; Y78-Y89 HydrophobicContact CG-CD2 3.53Å; Y78-Y89 AromaticContact CG-CE2 3.98Å; Y78-Y89 HydrophobicContact CG-CE2 3.98Å; Y78-Y89 HydrophobicContact CG-CG 4.43Å |
| 79 | N | 98.2 | Very high | 97.5 | Very high | 79 Ų | 79 | 62.1 Ų | 62.1 | 42% | 0.422 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 122.6 | -179.5 | 174 | 8.7 | 0 | 0 | 0 | 108.1 | Q67 M68 L69 | Q67-N79 PolarHBondContact NE2-ND2 2.72Å; Q67-N79 PolarHBondContact NE2-OD1 3.37Å; Q67-N79 VanDerWaalsContact NE2-OD1 3.11Å; M68-N79 WeakPolarHBondContact O-CA 3.39Å; L69-N79 HydrophobicContact CD2-CB 3.77Å; L69-N79 WeakPolarHBondContact CD2-OD1 3.44Å |
| 80 | I | 97.9 | Very high | 97.5 | Very high | 49 Ų | 49 | 66.5 Ų | 66.5 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 140.8 | -177.8 | -174.1 | 61.8 | 0 | 0 | 0 | 110.3 | Q67 M68 F70 Y78 E87 | Q67-I80 CarbonylContact C-O 3.57Å; Q67-I80 WeakPolarHBondContact CA-O 3.49Å; M68-I80 HydrophobicContact CB-CG2 3.89Å; M68-I80 PolarHBondContact N-O 2.83Å; M68-I80 PolarHBondContact O-N 2.83Å; F70-I80 HydrophobicContact CE2-CG2 4.43Å; Y78-I80 HydrophobicContact CD1-CG2 4.35Å; Y78-I80 HydrophobicContact CE1-CB 3.95Å; Y78-I80 HydrophobicContact CE1-CG2 3.72Å; I80-E87 HydrophobicContact CG2-CB 3.99Å; I80-E87 HydrophobicContact CG2-CG 3.98Å |
| 81 | S | 97.1 | Very high | 97.5 | Very high | 56 Ų | 56 | 67.1 Ų | 67.1 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.9 | 172.5 | -55.1 | 0 | 0 | 0 | 0 | 110.3 | Q65 H66 | Q65-S81 VanDerWaalsContact NE2-CB 3.27Å; H66-S81 CarbonylContact O-C 3.56Å; H66-S81 WeakPolarHBondContact O-CA 3.39Å |
| 82 | S | 95 | Very high | 97.4 | Very high | 20 Ų | 20 | 68.5 Ų | 68.5 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 154.7 | -172 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | H66 K84 E87 | H66-S82 PolarHBondContact N-O 3.2Å; H66-S82 PolarHBondContact ND1-O 2.87Å; H66-S82 PolarHBondContact O-N 2.78Å; S82-K84 PolarHBondContact OG-N 2.92Å; S82-K84 VanDerWaalsContact OG-N 3.13Å; S82-E87 WeakPolarHBondContact CB-OE1 3.46Å; S82-E87 PolarHBondContact OG-OE1 3.23Å |
| 83 | M | 94 | Very high | 97.3 | Very high | 108 Ų | 108 | 71.8 Ų | 71.8 | 53% | 0.532 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -78.8 | -11.1 | 170.5 | -59.6 | -56.3 | -65.2 | 0 | 0 | 112.3 | K63 Q65 | K63-M83 HydrophobicContact CB-CE 4.07Å; K63-M83 WeakPolarHBondContact O-CE 3.25Å; Q65-M83 HydrophobicContact CB-SD 3.88Å; Q65-M83 HydrophobicContact CG-SD 4.24Å |
| 84 | K | 94.5 | Very high | 97.2 | Very high | 138 Ų | 138 | 68.2 Ų | 68.2 | 60% | 0.6 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -80.3 | 145 | 175 | -59.8 | 177.2 | -174.8 | 171 | 0 | 109.2 | H66 M68 S82 T86 | H66-K84 PolarHBondContact ND1-O 2.99Å; M68-K84 VanDerWaalsContact CE-O 3.3Å; M68-K84 WeakPolarHBondContact CE-O 3.37Å; S82-K84 PolarHBondContact OG-N 2.92Å; S82-K84 VanDerWaalsContact OG-N 3.13Å; K84-T86 WeakPolarHBondContact CB-O 3.32Å; K84-T86 PolarHBondContact O-N 2.86Å |
| 85 | S | 94.7 | Very high | 97.1 | Very high | 54 Ų | 54 | 64.1 Ų | 64.1 | 38% | 0.378 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -82.8 | 8.2 | 171 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | A54 | A54-S85 PolarHBondContact N-O 2.86Å; A54-S85 WeakPolarHBondContact O-CB 3.4Å |
| 86 | T | 97.1 | Very high | 96.9 | Very high | 42 Ų | 42 | 62.8 Ų | 62.8 | 26% | 0.258 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 130.1 | -179.8 | -56.7 | 0 | 0 | 0 | 0 | 109.7 | C52 F53 K84 | C52-T86 VanDerWaalsContact O-CA 3.25Å; C52-T86 WeakPolarHBondContact O-CA 3.48Å; F53-T86 HydrophobicContact CD1-CG2 3.35Å; F53-T86 WeakPolarHBondContact CD1-OG1 3.33Å; F53-T86 HydrophobicContact CE1-CG2 3.33Å; F53-T86 HydrophobicContact CG-CG2 4.1Å; F53-T86 HydrophobicContact CZ-CG2 4.07Å; K84-T86 WeakPolarHBondContact CB-O 3.32Å; K84-T86 PolarHBondContact O-N 2.86Å |
| 87 | E | 98.1 | Very high | 96.7 | Very high | 30 Ų | 30 | 63.2 Ų | 63.2 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 156.1 | 173.8 | -73.2 | -58.1 | 155.3 | 0 | 0 | 111 | Q51 C52 M68 I80 S82 | Q51-E87 WeakPolarHBondContact CA-O 3.45Å; C52-E87 PolarHBondContact N-O 2.81Å; C52-E87 PolarHBondContact O-N 2.8Å; M68-E87 HydrophobicContact CE-CG 4.29Å; M68-E87 HydrophobicContact CG-CB 4.3Å; M68-E87 HydrophobicContact CG-CG 4.44Å; M68-E87 HydrophobicContact SD-CG 4.24Å; I80-E87 HydrophobicContact CG2-CB 3.99Å; I80-E87 HydrophobicContact CG2-CG 3.98Å; S82-E87 WeakPolarHBondContact CB-OE1 3.46Å; S82-E87 PolarHBondContact OG-OE1 3.23Å |
| 88 | S | 98.1 | Very high | 96.6 | Very high | 46 Ų | 46 | 61.5 Ų | 61.5 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.3 | -174.1 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | L50 Q51 | L50-S88 CarbonylContact O-C 3.58Å; L50-S88 VanDerWaalsContact O-CA 3.23Å; L50-S88 WeakPolarHBondContact O-CA 3.12Å; Q51-S88 WeakPolarHBondContact CG-OG 3.37Å; Q51-S88 PolarHBondContact NE2-OG 2.85Å; Q51-S88 VanDerWaalsContact NE2-OG 3.15Å |
| 89 | Y | 98.5 | Very high | 96.6 | Very high | 74 Ų | 74 | 59.5 Ų | 59.5 | 29% | 0.29 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.2 | 171.5 | -175.4 | -100.4 | 0 | 0 | 0 | 109.8 | T49 L50 F77 Y78 I91 | T49-Y89 WeakPolarHBondContact CA-O 3.48Å; L50-Y89 PolarHBondContact N-O 3.43Å; L50-Y89 PolarHBondContact O-N 2.99Å; F77-Y89 HydrophobicContact CD2-CD1 4.41Å; F77-Y89 AromaticContact CD2-CE1 4Å; F77-Y89 HydrophobicContact CD2-CE1 4Å; F77-Y89 HydrophobicContact CD2-CE2 4.27Å; F77-Y89 AromaticContact CD2-CZ 3.93Å; F77-Y89 AromaticContact CE2-CD1 3.5Å; F77-Y89 HydrophobicContact CE2-CD1 3.5Å; F77-Y89 HydrophobicContact CE2-CD2 4.1Å; F77-Y89 AromaticContact CE2-CE1 3.49Å; F77-Y89 HydrophobicContact CE2-CE1 3.49Å; F77-Y89 VanDerWaalsContact CE2-CE1 3.49Å; F77-Y89 HydrophobicContact CE2-CE2 4.12Å; F77-Y89 AromaticContact CE2-CG 3.79Å; F77-Y89 HydrophobicContact CE2-CG 3.79Å; F77-Y89 AromaticContact CE2-CZ 3.83Å; F77-Y89 HydrophobicContact CZ-CD1 4.25Å; F77-Y89 HydrophobicContact CZ-CE1 4.47Å; Y78-Y89 AromaticContact CD1-CD2 3.68Å; Y78-Y89 HydrophobicContact CD1-CD2 3.68Å; Y78-Y89 HydrophobicContact CD1-CG 4.3Å; Y78-Y89 AromaticContact CD2-CD2 3.82Å; Y78-Y89 HydrophobicContact CD2-CD2 3.82Å; Y78-Y89 AromaticContact CD2-CE2 3.96Å; Y78-Y89 HydrophobicContact CD2-CE2 3.96Å; Y78-Y89 HydrophobicContact CE1-CD2 4.11Å; Y78-Y89 HydrophobicContact CE2-CD2 4.24Å; Y78-Y89 AromaticContact CG-CD2 3.53Å; Y78-Y89 HydrophobicContact CG-CD2 3.53Å; Y78-Y89 AromaticContact CG-CE2 3.98Å; Y78-Y89 HydrophobicContact CG-CE2 3.98Å; Y78-Y89 HydrophobicContact CG-CG 4.43Å; Y89-I91 HydrophobicContact CD1-CD1 4.2Å; Y89-I91 HydrophobicContact CD1-CG1 3.7Å; Y89-I91 HydrophobicContact CE1-CD1 4.09Å; Y89-I91 HydrophobicContact CE1-CG1 3.47Å; Y89-I91 VanDerWaalsContact CE1-CG1 3.47Å |
| 90 | F | 98.4 | Very high | 96.6 | Very high | 107 Ų | 107 | 56 Ų | 56 | 47% | 0.469 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123.3 | -176.3 | 179.8 | -110.7 | 0 | 0 | 0 | 110.7 | N47 P92 | N47-F90 HydrophobicContact CB-CE2 3.69Å; N47-F90 HydrophobicContact CB-CZ 3.83Å; F90-P92 HydrophobicContact CD1-CB 4.48Å; F90-P92 HydrophobicContact CE1-CB 3.82Å; F90-P92 HydrophobicContact CE1-CG 4.41Å; F90-P92 HydrophobicContact CZ-CB 4.39Å; F90-P92 WeakPolarHBondContact O-CD 3.47Å |
| 91 | I | 98.1 | Very high | 96.6 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 103.1 | 174.3 | -57 | 167.9 | 0 | 0 | 0 | 107.4 | L48 L50 Y89 V94 | L48-I91 HydrophobicContact CB-CB 4.36Å; L48-I91 HydrophobicContact CD2-CD1 4.08Å; L48-I91 HydrophobicContact CG-CD1 4.5Å; L48-I91 PolarHBondContact N-O 2.98Å; L48-I91 PolarHBondContact O-N 2.73Å; L50-I91 HydrophobicContact CD1-CD1 4.19Å; Y89-I91 HydrophobicContact CD1-CD1 4.2Å; Y89-I91 HydrophobicContact CD1-CG1 3.7Å; Y89-I91 HydrophobicContact CE1-CD1 4.09Å; Y89-I91 HydrophobicContact CE1-CG1 3.47Å; Y89-I91 VanDerWaalsContact CE1-CG1 3.47Å; I91-V94 HydrophobicContact CG2-CB 4.34Å; I91-V94 HydrophobicContact CG2-CG2 4.15Å |
| 92 | P | 97.3 | Very high | 96.7 | Very high | 81 Ų | 81 | 53.1 Ų | 53.1 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -70.2 | 141.4 | 172.3 | 29 | -32.1 | 0 | 0 | 0 | 109.9 | F90 V94 | F90-P92 HydrophobicContact CD1-CB 4.48Å; F90-P92 HydrophobicContact CE1-CB 3.82Å; F90-P92 HydrophobicContact CE1-CG 4.41Å; F90-P92 HydrophobicContact CZ-CB 4.39Å; F90-P92 WeakPolarHBondContact O-CD 3.47Å; P92-V94 PolarHBondContact O-N 3.43Å |
| 93 | E | 96.2 | Very high | 96.9 | Very high | 113 Ų | 113 | 54 Ų | 54 | 53% | 0.528 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 44.8 | 64.1 | 173.7 | -60.1 | -174.7 | -165.7 | 0 | 0 | 114.7 | K46 N47 R95 | K46-E93 CarbonylContact O-C 3.53Å; K46-E93 WeakPolarHBondContact O-CA 3.38Å; N47-E93 PolarHBondContact OD1-N 2.85Å; N47-E93 VanDerWaalsContact OD1-N 3.14Å; E93-R95 WeakPolarHBondContact O-CG 3.38Å; E93-R95 PolarHBondContact O-NE 3.38Å; E93-R95 VanDerWaalsContact O-NE 3.11Å; E93-R95 IonicContact OE2-NH2 3.64Å; E93-R95 PolarHBondContact OE2-NH2 2.86Å |
| 94 | V | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -55.7 | 138.8 | -175.9 | 80.1 | 0 | 0 | 0 | 0 | 112.5 | V42 G45 K46 L48 I91 P92 D98 V122 | V42-V94 HydrophobicContact CB-CG1 4.26Å; V42-V94 HydrophobicContact CG1-CG1 3.82Å; G45-V94 PolarHBondContact N-O 2.81Å; K46-V94 WeakPolarHBondContact O-CB 3.5Å; K46-V94 WeakPolarHBondContact O-CG1 3.33Å; K46-V94 PolarHBondContact O-N 2.79Å; L48-V94 HydrophobicContact CB-CB 4.38Å; L48-V94 HydrophobicContact CB-CG2 4.41Å; L48-V94 HydrophobicContact CD2-CG2 4.15Å; I91-V94 HydrophobicContact CG2-CB 4.34Å; I91-V94 HydrophobicContact CG2-CG2 4.15Å; P92-V94 PolarHBondContact O-N 3.43Å; V94-D98 HydrophobicContact CG2-CB 3.56Å; V94-V122 HydrophobicContact CB-CG2 4.42Å; V94-V122 HydrophobicContact CG1-CG1 3.94Å; V94-V122 HydrophobicContact CG1-CG2 4.01Å; V94-V122 HydrophobicContact CG2-CG2 3.57Å | ||
| 95 | R | 95.9 | Very high | 97.3 | Very high | 25 Ų | 25 | 42.8 Ų | 42.8 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | trans | -119.9 | 169.6 | -178.1 | -57.2 | -57.2 | 170.8 | 176.4 | 4 | 111.9 | N44 E93 Y97 D98 V122 | N44-R95 PolarHBondContact OD1-NH1 3.14Å; E93-R95 WeakPolarHBondContact O-CG 3.38Å; E93-R95 PolarHBondContact O-NE 3.38Å; E93-R95 VanDerWaalsContact O-NE 3.11Å; E93-R95 IonicContact OE2-NH2 3.64Å; E93-R95 PolarHBondContact OE2-NH2 2.86Å; R95-Y97 HydrophobicContact CB-CD1 3.71Å; R95-Y97 HydrophobicContact CB-CD2 4.37Å; R95-Y97 HydrophobicContact CB-CE1 3.32Å; R95-Y97 HydrophobicContact CB-CE2 4Å; R95-Y97 HydrophobicContact CB-CG 4.23Å; R95-Y97 VanDerWaalsContact CB-CZ 3.47Å; R95-Y97 HydrophobicContact CG-CE1 3.67Å; R95-Y97 HydrophobicContact CG-CE2 4.43Å; R95-Y97 WeakPolarHBondContact CG-OH 3.29Å; R95-Y97 PolarHBondContact O-N 2.87Å; R95-D98 PolarHBondContact N-OD2 2.82Å; R95-D98 WeakPolarHBondContact O-CB 3.48Å; R95-D98 PolarHBondContact O-N 2.9Å; R95-V122 WeakPolarHBondContact O-CG2 3.28Å | ||
| 96 | I | 94.2 | Very high | 97.4 | Very high | 70 Ų | 70 | 40.2 Ų | 40.2 | 36% | 0.359 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -57.8 | -38.5 | -177.1 | -64.5 | 172.1 | 0 | 0 | 0 | 111 | D98 S99 V125 E152 | I96-D98 PolarHBondContact O-N 2.88Å; I96-S99 VanDerWaalsContact O-CB 3.23Å; I96-S99 WeakPolarHBondContact O-CB 3.28Å; I96-S99 PolarHBondContact O-N 2.79Å; I96-S99 PolarHBondContact O-OG 3.14Å; I96-V125 HydrophobicContact CD1-CB 4.45Å; I96-V125 HydrophobicContact CD1-CG2 3.81Å; I96-E152 PolarHBondContact N-OE1 3.13Å; I96-E152 VanDerWaalsContact N-OE1 3.16Å |
| 97 | Y | 93.4 | Very high | 97.5 | Very high | 87 Ų | 87 | 40 Ų | 40 | 34% | 0.341 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -67.6 | -11.9 | 178.2 | 61.7 | -108 | 0 | 0 | 0 | 114.7 | K72 R95 S99 K153 | K72-Y97 PolarHBondContact NZ-O 2.91Å; R95-Y97 HydrophobicContact CB-CD1 3.71Å; R95-Y97 HydrophobicContact CB-CD2 4.37Å; R95-Y97 HydrophobicContact CB-CE1 3.32Å; R95-Y97 HydrophobicContact CB-CE2 4Å; R95-Y97 HydrophobicContact CB-CG 4.23Å; R95-Y97 VanDerWaalsContact CB-CZ 3.47Å; R95-Y97 HydrophobicContact CG-CE1 3.67Å; R95-Y97 HydrophobicContact CG-CE2 4.43Å; R95-Y97 WeakPolarHBondContact CG-OH 3.29Å; R95-Y97 PolarHBondContact O-N 2.87Å; Y97-S99 VanDerWaalsContact C-N 3.33Å; Y97-K153 HydrophobicContact CD1-CB 4.06Å; Y97-K153 HydrophobicContact CD1-CD 3.66Å; Y97-K153 HydrophobicContact CD1-CG 3.71Å; Y97-K153 HydrophobicContact CD2-CD 4.45Å; Y97-K153 HydrophobicContact CE1-CD 3.93Å; Y97-K153 HydrophobicContact CE1-CG 3.89Å; Y97-K153 HydrophobicContact CG-CD 3.94Å; Y97-K153 HydrophobicContact CG-CG 4.46Å |
| 98 | D | 96.7 | Very high | 97.3 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 16% | 0.16 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -84.3 | -10.7 | 171.9 | -60.5 | -46.6 | 0 | 0 | 0 | 111.8 | K72 V94 R95 I96 Y102 | K72-D98 VanDerWaalsContact CE-O 3.25Å; K72-D98 WeakPolarHBondContact CE-O 3.23Å; V94-D98 HydrophobicContact CG2-CB 3.56Å; R95-D98 PolarHBondContact N-OD2 2.82Å; R95-D98 WeakPolarHBondContact O-CB 3.48Å; R95-D98 PolarHBondContact O-N 2.9Å; I96-D98 PolarHBondContact O-N 2.88Å; D98-Y102 WeakPolarHBondContact O-CE2 3.45Å; D98-Y102 PolarHBondContact O-OH 3.01Å |
| 99 | S | 97.5 | Very high | 96.9 | Very high | 26 Ų | 26 | 40.7 Ų | 40.7 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | trans | -61.7 | 145.8 | 168.5 | -53.1 | 0 | 0 | 0 | 0 | 110.3 | K72 I96 Y97 V120 V122 | K72-S99 WeakPolarHBondContact CE-O 3.19Å; K72-S99 PolarHBondContact NZ-O 2.82Å; I96-S99 VanDerWaalsContact O-CB 3.23Å; I96-S99 WeakPolarHBondContact O-CB 3.28Å; I96-S99 PolarHBondContact O-N 2.79Å; I96-S99 PolarHBondContact O-OG 3.14Å; Y97-S99 VanDerWaalsContact C-N 3.33Å; S99-V120 WeakPolarHBondContact CA-O 2.97Å; S99-V120 WeakPolarHBondContact CB-O 3.2Å; S99-V122 WeakPolarHBondContact OG-CB 3.38Å; S99-V122 PolarHBondContact OG-N 2.81Å | ||
| 100 | G | 98.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.3 | -176.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D73 Y102 Q119 V120 | D73-G100 WeakPolarHBondContact OD1-CA 3.46Å; G100-Y102 WeakPolarHBondContact O-CD2 3.3Å; G100-Q119 VanDerWaalsContact C-NE2 3.33Å; G100-Q119 PolarHBondContact O-NE2 3.04Å; G100-Q119 VanDerWaalsContact O-NE2 3.08Å; G100-V120 PolarHBondContact N-O 2.79Å; G100-V120 VanDerWaalsContact N-O 3.15Å; G100-V120 PolarHBondContact O-N 3.11Å |
| 101 | T | 98.7 | Very high | 96.2 | Very high | 40 Ų | 40 | 45 Ų | 45 | 25% | 0.245 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 119 | 178.9 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | K72 D73 E117 | K72-T101 CarbonylContact C-O 3.56Å; K72-T101 WeakPolarHBondContact CA-O 3.19Å; D73-T101 PolarHBondContact N-O 3.45Å; D73-T101 PolarHBondContact OD1-N 2.62Å; T101-E117 HydrophobicContact CG2-CB 3.66Å; T101-E117 HydrophobicContact CG2-CG 3.87Å |
| 102 | Y | 98.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 141.2 | -177.6 | -74.5 | -96.1 | 0 | 0 | 0 | 111.6 | L50 Y71 K72 F77 D98 G100 Y118 V120 | L50-Y102 HydrophobicContact CD1-CD1 3.41Å; L50-Y102 VanDerWaalsContact CD1-CD1 3.41Å; L50-Y102 HydrophobicContact CD1-CE1 3.43Å; L50-Y102 VanDerWaalsContact CD1-CE1 3.43Å; L50-Y102 HydrophobicContact CD1-CG 4.14Å; Y71-Y102 WeakPolarHBondContact O-CA 3.46Å; K72-Y102 HydrophobicContact CB-CD1 4.2Å; K72-Y102 HydrophobicContact CB-CE1 3.81Å; K72-Y102 HydrophobicContact CD-CE1 4.3Å; K72-Y102 HydrophobicContact CD-CE2 4.3Å; K72-Y102 WeakPolarHBondContact CD-OH 3.39Å; K72-Y102 WeakPolarHBondContact CE-OH 3.46Å; K72-Y102 HydrophobicContact CG-CD1 4.43Å; K72-Y102 HydrophobicContact CG-CD2 4.46Å; K72-Y102 HydrophobicContact CG-CE1 3.87Å; K72-Y102 HydrophobicContact CG-CE2 3.89Å; F77-Y102 AromaticContact CE1-CD1 3.72Å; F77-Y102 HydrophobicContact CE1-CD1 3.72Å; F77-Y102 AromaticContact CE1-CE1 3.61Å; F77-Y102 HydrophobicContact CE1-CE1 3.61Å; F77-Y102 AromaticContact CZ-CD1 3.98Å; F77-Y102 HydrophobicContact CZ-CD1 3.98Å; F77-Y102 AromaticContact CZ-CE1 3.75Å; F77-Y102 HydrophobicContact CZ-CE1 3.75Å; D98-Y102 WeakPolarHBondContact O-CE2 3.45Å; D98-Y102 PolarHBondContact O-OH 3.01Å; G100-Y102 WeakPolarHBondContact O-CD2 3.3Å; Y102-Y118 PolarHBondContact N-O 2.9Å; Y102-Y118 PolarHBondContact O-N 2.83Å; Y102-V120 HydrophobicContact CD2-CB 3.78Å; Y102-V120 HydrophobicContact CD2-CG2 3.41Å; Y102-V120 VanDerWaalsContact CD2-CG2 3.41Å; Y102-V120 HydrophobicContact CE2-CB 3.7Å; Y102-V120 HydrophobicContact CE2-CG1 4.43Å; Y102-V120 HydrophobicContact CE2-CG2 3.68Å; Y102-V120 HydrophobicContact CG-CG2 4.16Å |
| 103 | K | 98.7 | Very high | 96.2 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 158.2 | 168.8 | 60.9 | -173.9 | 166.2 | -155.4 | 0 | 111.8 | Y71 D74 T114 T115 E117 | Y71-K103 HydrophobicContact CD2-CG 4.36Å; Y71-K103 HydrophobicContact CG-CG 4.4Å; Y71-K103 PolarHBondContact N-O 3.11Å; Y71-K103 PolarHBondContact O-N 2.78Å; Y71-K103 VanDerWaalsContact O-N 3.13Å; D74-K103 WeakPolarHBondContact OD1-CE 3.24Å; D74-K103 IonicContact OD1-NZ 2.83Å; D74-K103 PolarHBondContact OD1-NZ 2.85Å; K103-T114 HydrophobicContact CB-CG2 4.34Å; K103-T114 HydrophobicContact CD-CG2 3.96Å; K103-T114 HydrophobicContact CG-CG2 4.34Å; K103-T115 WeakPolarHBondContact CA-OG1 3.34Å; K103-E117 HydrophobicContact CD-CG 4.16Å; K103-E117 IonicContact NZ-OE1 2.62Å; K103-E117 PolarHBondContact NZ-OE1 2.92Å |
| 104 | C | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 136.2 | 176.3 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | M34 C52 L69 T114 T115 | M34-C104 HydrophobicContact SD-CB 4.29Å; C52-C104 HydrophobicContact CB-CB 3.71Å; C52-C104 WeakPolarHBondContact CB-SG 3.48Å; C52-C104 WeakPolarHBondContact SG-CB 3.21Å; C52-C104 CovalentContact SG-SG 2.03Å; C52-C104 PolarHBondContact SG-SG 2.81Å; L69-C104 CarbonylContact O-C 3.54Å; L69-C104 VanDerWaalsContact O-CA 3.28Å; L69-C104 WeakPolarHBondContact O-CA 3.39Å; C104-T114 CarbonylContact O-C 3.56Å; C104-T114 WeakPolarHBondContact O-CA 3.38Å; C104-T115 HydrophobicContact CB-CG2 3.92Å; C104-T115 PolarHBondContact N-OG1 3.18Å; C104-T115 WeakPolarHBondContact O-CG2 3.43Å; C104-T115 PolarHBondContact O-N 2.83Å; C104-T115 PolarHBondContact O-OG1 3.26Å |
| 105 | T | 98.6 | Very high | 96.4 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.4 | 169.6 | -57.7 | 0 | 0 | 0 | 0 | 109.1 | M68 L69 I107 E112 T114 | M68-T105 WeakPolarHBondContact CA-O 3.29Å; L69-T105 PolarHBondContact N-O 2.88Å; L69-T105 PolarHBondContact O-N 2.97Å; T105-I107 HydrophobicContact CG2-CG1 4.3Å; T105-E112 HydrophobicContact CG2-CB 4.26Å; T105-T114 WeakPolarHBondContact OG1-CG2 3.44Å; T105-T114 PolarHBondContact OG1-OG1 2.78Å |
| 106 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.2 | 176.9 | -179 | 0 | 0 | 0 | 0 | 109.1 | I29 V32 A54 H66 Q67 M68 V108 E112 K113 | I29-V106 WeakPolarHBondContact CD1-O 3.26Å; V32-V106 HydrophobicContact CG1-CB 4.3Å; V32-V106 HydrophobicContact CG1-CG2 3.53Å; V32-V106 HydrophobicContact CG2-CB 4.09Å; V32-V106 HydrophobicContact CG2-CG2 4.18Å; A54-V106 HydrophobicContact CB-CB 4.37Å; A54-V106 HydrophobicContact CB-CG1 3.89Å; A54-V106 HydrophobicContact CB-CG2 4.19Å; H66-V106 HydrophobicContact CB-CG1 4.44Å; Q67-V106 CarbonylContact O-C 3.48Å; Q67-V106 WeakPolarHBondContact O-CA 3.49Å; M68-V106 HydrophobicContact CG-CG2 4.1Å; V106-V108 HydrophobicContact CG1-CG2 4.17Å; V106-E112 VanDerWaalsContact O-CA 3.26Å; V106-E112 WeakPolarHBondContact O-CA 3.3Å; V106-K113 PolarHBondContact N-O 2.03Å; V106-K113 PolarHBondContact O-N 2.9Å |
| 107 | I | 97.5 | Very high | 96.7 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 20% | 0.195 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.8 | 178.6 | -50.5 | 177.4 | 0 | 0 | 0 | 108.7 | Q67 L69 T105 K111 E112 | Q67-I107 HydrophobicContact CB-CB 4.26Å; Q67-I107 PolarHBondContact N-O 3.46Å; Q67-I107 PolarHBondContact O-N 2.98Å; L69-I107 HydrophobicContact CD1-CD1 3.77Å; T105-I107 HydrophobicContact CG2-CG1 4.3Å; I107-K111 CarbonylContact C-O 3.54Å; I107-K111 VanDerWaalsContact CA-O 3.29Å; I107-K111 WeakPolarHBondContact CA-O 3.38Å; I107-E112 HydrophobicContact CG1-CB 3.94Å |
| 108 | V | 95 | Very high | 96.9 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 119.9 | 175.8 | 177.2 | 0 | 0 | 0 | 0 | 108.4 | F27 I29 V56 P64 H66 V106 N110 K111 | F27-V108 HydrophobicContact CB-CG1 4.37Å; F27-V108 HydrophobicContact CD1-CG1 4.17Å; F27-V108 HydrophobicContact CG-CG1 4.45Å; I29-V108 HydrophobicContact CD1-CB 4.37Å; I29-V108 HydrophobicContact CD1-CG2 4.49Å; I29-V108 HydrophobicContact CG1-CB 4.47Å; V56-V108 HydrophobicContact CG1-CG1 4.4Å; V56-V108 HydrophobicContact CG2-CG2 4.31Å; P64-V108 HydrophobicContact CB-CG1 3.56Å; P64-V108 HydrophobicContact CG-CG1 4.04Å; H66-V108 HydrophobicContact CB-CG2 4.24Å; H66-V108 VanDerWaalsContact CD2-CG2 3.46Å; H66-V108 WeakPolarHBondContact CD2-CG2 3.42Å; V106-V108 HydrophobicContact CG1-CG2 4.17Å; V108-N110 VanDerWaalsContact C-N 3.34Å; V108-N110 PolarHBondContact O-N 2.97Å; V108-K111 PolarHBondContact N-O 3.12Å; V108-K111 WeakPolarHBondContact O-CB 3.3Å; V108-K111 PolarHBondContact O-N 2.86Å |
| 109 | N | 90 | Very high | 97 | Very high | 88 Ų | 88 | 55.6 Ų | 55.6 | 47% | 0.471 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.5 | 54.6 | 176.3 | -68.2 | -32.2 | 0 | 0 | 0 | 113.3 | F27 K111 | F27-N109 VanDerWaalsContact CD1-ND2 3.34Å; F27-N109 WeakPolarHBondContact CD1-ND2 3.49Å; F27-N109 HydrophobicContact CD2-CB 3.97Å; F27-N109 WeakPolarHBondContact CD2-ND2 3.38Å; F27-N109 WeakPolarHBondContact CE1-ND2 3.01Å; F27-N109 HydrophobicContact CE2-CB 4.46Å; F27-N109 WeakPolarHBondContact CE2-ND2 3.46Å; F27-N109 HydrophobicContact CG-CB 4.23Å; F27-N109 VanDerWaalsContact CG-ND2 3.28Å; F27-N109 WeakPolarHBondContact CG-ND2 3.36Å; F27-N109 WeakPolarHBondContact CZ-ND2 2.99Å; N109-K111 PolarHBondContact O-N 2.95Å; N109-K111 VanDerWaalsContact O-N 3.12Å |
| 110 | N | 88.6 | Confident | 97.1 | Very high | 167 Ų | 167 | 54.3 Ų | 54.3 | 89% | 0.893 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 8.1 | -179.9 | -54.4 | -21.8 | 0 | 0 | 0 | 115.8 | V108 | V108-N110 VanDerWaalsContact C-N 3.34Å; V108-N110 PolarHBondContact O-N 2.97Å |
| 111 | K | 93.6 | Very high | 97.1 | Very high | 104 Ų | 104 | 57.8 Ų | 57.8 | 45% | 0.452 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 141 | 167.1 | -61.7 | -172.2 | -178.7 | -171.8 | 0 | 109.1 | F27 I29 I107 V108 N109 | F27-K111 WeakPolarHBondContact O-CD 3.4Å; F27-K111 WeakPolarHBondContact O-CE 3.43Å; F27-K111 PolarHBondContact O-NZ 3.02Å; I29-K111 HydrophobicContact CD1-CB 4.36Å; I29-K111 WeakPolarHBondContact CD1-O 3.27Å; I107-K111 CarbonylContact C-O 3.54Å; I107-K111 VanDerWaalsContact CA-O 3.29Å; I107-K111 WeakPolarHBondContact CA-O 3.38Å; V108-K111 PolarHBondContact N-O 3.12Å; V108-K111 WeakPolarHBondContact O-CB 3.3Å; V108-K111 PolarHBondContact O-N 2.86Å; N109-K111 PolarHBondContact O-N 2.95Å; N109-K111 VanDerWaalsContact O-N 3.12Å |
| 112 | E | 96.9 | Very high | 97 | Very high | 140 Ų | 140 | 56.3 Ų | 56.3 | 65% | 0.654 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 151 | 177.6 | 68.5 | -178.5 | -166.7 | 0 | 0 | 111.7 | T105 V106 I107 | T105-E112 HydrophobicContact CG2-CB 4.26Å; V106-E112 VanDerWaalsContact O-CA 3.26Å; V106-E112 WeakPolarHBondContact O-CA 3.3Å; I107-E112 HydrophobicContact CG1-CB 3.94Å |
| 113 | K | 98.4 | Very high | 96.9 | Very high | 84 Ų | 84 | 60.1 Ų | 60.1 | 37% | 0.365 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 135.4 | 170.2 | -172.1 | 166.7 | -175.7 | 167.2 | 0 | 109 | I29 N30 V32 V106 | I29-K113 HydrophobicContact CB-CB 4.19Å; I29-K113 HydrophobicContact CB-CD 4.43Å; I29-K113 HydrophobicContact CD1-CB 4.26Å; I29-K113 HydrophobicContact CG2-CB 3.86Å; I29-K113 HydrophobicContact CG2-CD 4.05Å; N30-K113 PolarHBondContact O-NZ 2.85Å; V32-K113 HydrophobicContact CG2-CB 3.72Å; V32-K113 HydrophobicContact CG2-CD 4.16Å; V32-K113 HydrophobicContact CG2-CG 3.87Å; V106-K113 PolarHBondContact N-O 2.03Å; V106-K113 PolarHBondContact O-N 2.9Å |
| 114 | T | 98.4 | Very high | 96.6 | Very high | 64 Ų | 64 | 60.3 Ų | 60.3 | 39% | 0.393 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 144.4 | 179 | -52.9 | 0 | 0 | 0 | 0 | 109.8 | K103 C104 T105 | K103-T114 HydrophobicContact CB-CG2 4.34Å; K103-T114 HydrophobicContact CD-CG2 3.96Å; K103-T114 HydrophobicContact CG-CG2 4.34Å; C104-T114 CarbonylContact O-C 3.56Å; C104-T114 WeakPolarHBondContact O-CA 3.38Å; T105-T114 WeakPolarHBondContact OG1-CG2 3.44Å; T105-T114 PolarHBondContact OG1-OG1 2.78Å |
| 115 | T | 98.6 | Very high | 96.2 | Very high | 13 Ų | 13 | 65.2 Ų | 65.2 | 8% | 0.08 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 169.7 | 173.1 | 62.3 | 0 | 0 | 0 | 0 | 111.8 | V32 M34 K103 C104 | V32-T115 HydrophobicContact CB-CG2 4.03Å; V32-T115 HydrophobicContact CG1-CG2 3.44Å; V32-T115 VanDerWaalsContact CG1-CG2 3.44Å; M34-T115 HydrophobicContact CB-CG2 4.23Å; K103-T115 WeakPolarHBondContact CA-OG1 3.34Å; C104-T115 HydrophobicContact CB-CG2 3.92Å; C104-T115 PolarHBondContact N-OG1 3.18Å; C104-T115 WeakPolarHBondContact O-CG2 3.43Å; C104-T115 PolarHBondContact O-N 2.83Å; C104-T115 PolarHBondContact O-OG1 3.26Å |
| 116 | A | 97.8 | Very high | 95.9 | Very high | 66 Ų | 66 | 65.7 Ų | 65.7 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 167.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y118 | A116-Y118 HydrophobicContact CB-CE2 4.37Å; A116-Y118 WeakPolarHBondContact O-CD2 3.42Å; A116-Y118 VanDerWaalsContact O-CE2 3.24Å; A116-Y118 WeakPolarHBondContact O-CE2 3.23Å |
| 117 | E | 98.3 | Very high | 95.6 | Very high | 117 Ų | 117 | 70.8 Ų | 70.8 | 55% | 0.547 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -85 | 135.2 | 173.5 | -73.6 | -179.3 | 171.8 | 0 | 0 | 110.5 | T101 K103 | T101-E117 HydrophobicContact CG2-CB 3.66Å; T101-E117 HydrophobicContact CG2-CG 3.87Å; K103-E117 HydrophobicContact CD-CG 4.16Å; K103-E117 IonicContact NZ-OE1 2.62Å; K103-E117 PolarHBondContact NZ-OE1 2.92Å |
| 118 | Y | 98.6 | Very high | 95.3 | Very high | 51 Ų | 51 | 72.3 Ų | 72.3 | 20% | 0.2 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.6 | -179.8 | -61.9 | -93.1 | 0 | 0 | 0 | 110.4 | M34 W40 Y102 A116 | M34-Y118 HydrophobicContact CB-CD2 3.73Å; M34-Y118 HydrophobicContact CB-CE2 3.42Å; M34-Y118 VanDerWaalsContact CB-CE2 3.42Å; M34-Y118 HydrophobicContact SD-CD2 4.33Å; W40-Y118 HydrophobicContact CD2-CD1 4.3Å; W40-Y118 AromaticContact CE2-CD1 3.56Å; W40-Y118 HydrophobicContact CE3-CG 4.48Å; W40-Y118 AromaticContact CH2-CD1 3.6Å; W40-Y118 HydrophobicContact CH2-CD1 3.6Å; W40-Y118 AromaticContact CH2-CD2 4Å; W40-Y118 HydrophobicContact CH2-CD2 4Å; W40-Y118 HydrophobicContact CH2-CE1 4.35Å; W40-Y118 AromaticContact CH2-CG 3.37Å; W40-Y118 HydrophobicContact CH2-CG 3.37Å; W40-Y118 AromaticContact CZ2-CD1 3.16Å; W40-Y118 HydrophobicContact CZ2-CD1 3.16Å; W40-Y118 HydrophobicContact CZ2-CD2 4.31Å; W40-Y118 AromaticContact CZ2-CE1 3.71Å; W40-Y118 HydrophobicContact CZ2-CE1 3.71Å; W40-Y118 AromaticContact CZ2-CG 3.51Å; W40-Y118 HydrophobicContact CZ2-CG 3.51Å; W40-Y118 HydrophobicContact CZ3-CD1 4.31Å; W40-Y118 AromaticContact CZ3-CG 3.9Å; W40-Y118 HydrophobicContact CZ3-CG 3.9Å; Y102-Y118 PolarHBondContact N-O 2.9Å; Y102-Y118 PolarHBondContact O-N 2.83Å; A116-Y118 HydrophobicContact CB-CE2 4.37Å; A116-Y118 WeakPolarHBondContact O-CD2 3.42Å; A116-Y118 VanDerWaalsContact O-CE2 3.24Å; A116-Y118 WeakPolarHBondContact O-CE2 3.23Å |
| 119 | Q | 98.5 | Very high | 95.3 | Very high | 108 Ų | 108 | 79 Ų | 79 | 51% | 0.505 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 117.4 | 177.9 | -174 | 64.6 | 54.1 | 0 | 0 | 109.9 | G100 | G100-Q119 VanDerWaalsContact C-NE2 3.33Å; G100-Q119 PolarHBondContact O-NE2 3.04Å; G100-Q119 VanDerWaalsContact O-NE2 3.08Å |
| 120 | V | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 127.6 | 164.5 | 174.6 | 0 | 0 | 0 | 0 | 108.2 | W40 L48 L50 S99 G100 Y102 V122 | W40-V120 HydrophobicContact CE3-CG2 3.79Å; W40-V120 HydrophobicContact CZ3-CG2 4.02Å; W40-V120 WeakPolarHBondContact O-CA 3.21Å; L48-V120 HydrophobicContact CD2-CG1 3.75Å; L48-V120 HydrophobicContact CD2-CG2 4.42Å; L50-V120 HydrophobicContact CD2-CG2 4.2Å; S99-V120 WeakPolarHBondContact CA-O 2.97Å; S99-V120 WeakPolarHBondContact CB-O 3.2Å; G100-V120 PolarHBondContact N-O 2.79Å; G100-V120 VanDerWaalsContact N-O 3.15Å; G100-V120 PolarHBondContact O-N 3.11Å; Y102-V120 HydrophobicContact CD2-CB 3.78Å; Y102-V120 HydrophobicContact CD2-CG2 3.41Å; Y102-V120 VanDerWaalsContact CD2-CG2 3.41Å; Y102-V120 HydrophobicContact CE2-CB 3.7Å; Y102-V120 HydrophobicContact CE2-CG1 4.43Å; Y102-V120 HydrophobicContact CE2-CG2 3.68Å; Y102-V120 HydrophobicContact CG-CG2 4.16Å; V120-V122 HydrophobicContact CG1-CG2 4.35Å |
| 121 | L | 98.2 | Very high | 95.7 | Very high | 79 Ų | 79 | 74.9 Ų | 74.9 | 41% | 0.414 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 120.3 | 175.3 | 178.6 | 62.9 | 0 | 0 | 0 | 110 | W40 T41 V42 E123 | W40-L121 PolarHBondContact O-N 2.92Å; T41-L121 CarbonylContact C-O 3.55Å; T41-L121 VanDerWaalsContact CA-O 3.29Å; T41-L121 WeakPolarHBondContact CA-O 3.19Å; T41-L121 HydrophobicContact CG2-CB 4.44Å; T41-L121 HydrophobicContact CG2-CD2 4.25Å; T41-L121 HydrophobicContact CG2-CG 4.41Å; V42-L121 PolarHBondContact N-O 2.82Å; L121-E123 HydrophobicContact CD2-CG 4.31Å; L121-E123 HydrophobicContact CG-CG 4.24Å |
| 122 | V | 97.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 74.7 Ų | 74.7 | 5% | 0.048 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 118.7 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | V42 N44 V94 R95 S99 V120 | V42-V122 CarbonylContact O-C 3.57Å; V42-V122 VanDerWaalsContact O-CA 3.25Å; V42-V122 WeakPolarHBondContact O-CA 3.49Å; N44-V122 HydrophobicContact CB-CG1 4.18Å; V94-V122 HydrophobicContact CB-CG2 4.42Å; V94-V122 HydrophobicContact CG1-CG1 3.94Å; V94-V122 HydrophobicContact CG1-CG2 4.01Å; V94-V122 HydrophobicContact CG2-CG2 3.57Å; R95-V122 WeakPolarHBondContact O-CG2 3.28Å; S99-V122 WeakPolarHBondContact OG-CB 3.38Å; S99-V122 PolarHBondContact OG-N 2.81Å; V120-V122 HydrophobicContact CG1-CG2 4.35Å |
| 123 | E | 96.3 | Very high | 95.6 | Very high | 85 Ų | 85 | 72 Ų | 72 | 40% | 0.397 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 147.8 | -176.9 | -68.3 | -173.1 | 156.2 | 0 | 0 | 112.3 | T41 V42 Q43 N44 L121 | T41-E123 VanDerWaalsContact CG2-CD 3.45Å; T41-E123 HydrophobicContact CG2-CG 3.74Å; V42-E123 PolarHBondContact O-N 3.13Å; Q43-E123 CarbonylContact C-O 3.59Å; Q43-E123 PolarHBondContact NE2-OE2 3.43Å; N44-E123 WeakPolarHBondContact CB-O 3.37Å; N44-E123 PolarHBondContact N-O 2.57Å; L121-E123 HydrophobicContact CD2-CG 4.31Å; L121-E123 HydrophobicContact CG-CG 4.24Å |
| 124 | G | 92.7 | Very high | 95.4 | Very high | 43 Ų | 43 | 71.7 Ų | 71.7 | 44% | 0.443 | 40% | 0.4 | S | S | . | . | trans | 86.2 | 149.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N44 | N44-G124 WeakPolarHBondContact CB-O 2.96Å; N44-G124 PolarHBondContact ND2-O 2.79Å | ||
| 125 | V | 89.6 | Confident | 95.1 | Very high | 102 Ų | 102 | 78.6 Ų | 78.6 | 62% | 0.618 | 43% | 0.425 | S | S | * | . | trans | -113.7 | 136.5 | 174.9 | -173.8 | 0 | 0 | 0 | 0 | 107.5 | I96 V149 | I96-V125 HydrophobicContact CD1-CB 4.45Å; I96-V125 HydrophobicContact CD1-CG2 3.81Å; V125-V149 HydrophobicContact CG1-CG1 4.44Å | ||
| 126 | P | 91.6 | Very high | 94.7 | Very high | 22 Ų | 22 | 86.2 Ų | 86.2 | 14% | 0.143 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 151.4 | 173.9 | -21.8 | 32.1 | 0 | 0 | 0 | 111.9 | N44 V149 E151 E152 | N44-P126 WeakPolarHBondContact OD1-CG 3.08Å; P126-V149 HydrophobicContact CB-CG1 3.78Å; P126-V149 HydrophobicContact CG-CG1 4Å; P126-E151 HydrophobicContact CG-CB 4.26Å; P126-E152 HydrophobicContact CG-CG 4.04Å |
| 127 | S | 91.7 | Very high | 94.3 | Very high | 106 Ų | 106 | 85.9 Ų | 85.9 | 74% | 0.741 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 128.4 | 176.4 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 128 | P | 93.3 | Very high | 94.1 | Very high | 71 Ų | 71 | 86.9 Ų | 86.9 | 46% | 0.461 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 141.6 | 179.3 | 26.6 | -33.2 | 0 | 0 | 0 | 111.2 | S148 V149 | P128-S148 CarbonylContact C-O 3.57Å; P128-S148 WeakPolarHBondContact CA-O 3.34Å; P128-V149 HydrophobicContact CB-CG2 4Å |
| 129 | R | 94.3 | Very high | 93.6 | Very high | 141 Ų | 141 | 94 Ų | 94 | 53% | 0.532 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 119.5 | 171.8 | -57.5 | -175.8 | -170.8 | -169.2 | 3 | 109 | C147 S148 E151 | R129-C147 WeakPolarHBondContact O-CA 3.36Å; R129-S148 PolarHBondContact N-O 3.13Å; R129-S148 PolarHBondContact O-N 3.28Å; R129-E151 IonicContact CZ-OE1 2.71Å; R129-E151 IonicContact NE-OE1 2.73Å; R129-E151 IonicContact NH2-OE1 3.56Å; R129-E151 PolarHBondContact NH2-OE1 2.71Å |
| 130 | V | 93.1 | Very high | 93.2 | Very high | 92 Ų | 92 | 92.7 Ų | 92.7 | 56% | 0.558 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.1 | 177.8 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | V145 N146 | V130-V145 HydrophobicContact CG1-CG1 3.77Å; V130-N146 CarbonylContact C-O 3.55Å; V130-N146 WeakPolarHBondContact CA-O 3.46Å |
| 131 | T | 93.9 | Very high | 92.8 | Very high | 76 Ų | 76 | 94.4 Ų | 94.4 | 47% | 0.466 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.6 | 176.8 | 55.3 | 0 | 0 | 0 | 0 | 110.7 | N146 | T131-N146 PolarHBondContact N-O 3.21Å; T131-N146 PolarHBondContact O-N 3.23Å; T131-N146 WeakPolarHBondContact OG1-CB 3.19Å |
| 132 | L | 93.8 | Very high | 92.4 | Very high | 101 Ų | 101 | 96.9 Ų | 96.9 | 53% | 0.529 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 142.5 | 179.7 | -59.2 | 175.1 | 0 | 0 | 0 | 109.2 | K134 V143 R144 V145 | L132-K134 PolarHBondContact O-N 3.24Å; L132-V143 HydrophobicContact CD2-CG1 4.06Å; L132-R144 WeakPolarHBondContact CA-O 3.4Å; L132-V145 HydrophobicContact CD2-CB 4.2Å; L132-V145 HydrophobicContact CD2-CG1 4.11Å; L132-V145 HydrophobicContact CD2-CG2 3.67Å |
| 133 | D | 95.3 | Very high | 92.1 | Very high | 82 Ų | 82 | 99.1 Ų | 99.1 | 44% | 0.439 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -68.3 | -24.4 | 173.9 | 65.7 | -27.5 | 0 | 0 | 0 | 113 | R144 | D133-R144 HydrophobicContact CB-CB 4.1Å; D133-R144 VanDerWaalsContact CG-N 3.32Å; D133-R144 PolarHBondContact N-O 3.15Å; D133-R144 VanDerWaalsContact N-O 3.13Å; D133-R144 PolarHBondContact OD1-N 2.86Å; D133-R144 PolarHBondContact OD2-N 3.38Å |
| 134 | K | 93.3 | Very high | 91.9 | Very high | 78 Ų | 78 | 104 Ų | 104 | 34% | 0.339 | 57% | 0.573 | S | S | . | * | trans | -150.6 | 151.8 | 177 | 58.4 | -166.2 | 155 | -163.8 | 0 | 112.6 | L132 E136 I142 V143 | L132-K134 PolarHBondContact O-N 3.24Å; K134-E136 WeakPolarHBondContact CD-O 3.22Å; K134-E136 WeakPolarHBondContact CG-O 3.28Å; K134-I142 WeakPolarHBondContact CE-O 3.04Å; K134-I142 PolarHBondContact NZ-O 2.86Å; K134-V143 HydrophobicContact CG-CG2 4.25Å | ||
| 135 | K | 91.2 | Very high | 91.8 | Very high | 210 Ų | 210 | 105 Ų | 105 | 91% | 0.913 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -86.6 | -26.1 | 178.8 | -65 | -174.5 | 178.1 | -178.3 | 0 | 113.4 | ||
| 136 | E | 91.3 | Very high | 92 | Very high | 172 Ų | 172 | 103.3 Ų | 103.3 | 80% | 0.804 | 56% | 0.558 | S | S | * | * | trans | -128.8 | 147.9 | -179.3 | -65.3 | 177.7 | -168.4 | 0 | 0 | 109.4 | K134 | K134-E136 WeakPolarHBondContact CD-O 3.22Å; K134-E136 WeakPolarHBondContact CG-O 3.28Å | ||
| 137 | A | 90.2 | Very high | 92 | Very high | 59 Ų | 59 | 102.8 Ų | 102.8 | 49% | 0.488 | 56% | 0.555 | S | S | . | * | trans | -142.2 | 144.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V143 | A137-V143 HydrophobicContact CB-CG2 3.6Š| ||
| 138 | I | 92.8 | Very high | 92 | Very high | 139 Ų | 139 | 98.9 Ų | 98.9 | 71% | 0.713 | 53% | 0.528 | S | S | * | . | trans | -90.6 | 163 | 173.4 | 61.3 | 172.1 | 0 | 0 | 0 | 110.8 | G140 G141 | I138-G140 PolarHBondContact O-N 2.7Å; I138-G141 PolarHBondContact O-N 2.93Å | ||
| 139 | Q | 89.3 | Confident | 92 | Very high | 200 Ų | 200 | 95.7 Ų | 95.7 | 94% | 0.935 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 133.1 | 172.8 | -175.4 | 174 | -21 | 0 | 0 | 110.8 | G141 | Q139-G141 PolarHBondContact O-N 2.93Š|
| 140 | G | 88.8 | Confident | 91.8 | Very high | 81 Ų | 81 | 92.2 Ų | 92.2 | 84% | 0.835 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -8.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | I138 | I138-G140 PolarHBondContact O-N 2.7Š|
| 141 | G | 89.9 | Confident | 91.7 | Very high | 35 Ų | 35 | 90.3 Ų | 90.3 | 36% | 0.361 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 143.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I138 Q139 | I138-G141 PolarHBondContact O-N 2.93Å; Q139-G141 PolarHBondContact O-N 2.93Å |
| 142 | I | 90.1 | Very high | 91.7 | Very high | 131 Ų | 131 | 87.6 Ų | 87.6 | 67% | 0.672 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -95.5 | 123.5 | 176.9 | -60.4 | 171.5 | 0 | 0 | 0 | 109.7 | K134 | K134-I142 WeakPolarHBondContact CE-O 3.04Å; K134-I142 PolarHBondContact NZ-O 2.86Å |
| 143 | V | 91.3 | Very high | 91.5 | Very high | 56 Ų | 56 | 89 Ų | 89 | 34% | 0.339 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -97.4 | 128.9 | 169.3 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | L132 K134 A137 | L132-V143 HydrophobicContact CD2-CG1 4.06Å; K134-V143 HydrophobicContact CG-CG2 4.25Å; A137-V143 HydrophobicContact CB-CG2 3.6Å |
| 144 | R | 92 | Very high | 91.1 | Very high | 186 Ų | 186 | 86.8 Ų | 86.8 | 70% | 0.702 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -93.5 | 126.4 | 173.1 | -67 | -179.4 | 175.6 | 138 | -3.1 | 109.2 | L132 D133 | L132-R144 WeakPolarHBondContact CA-O 3.4Å; D133-R144 HydrophobicContact CB-CB 4.1Å; D133-R144 VanDerWaalsContact CG-N 3.32Å; D133-R144 PolarHBondContact N-O 3.15Å; D133-R144 VanDerWaalsContact N-O 3.13Å; D133-R144 PolarHBondContact OD1-N 2.86Å; D133-R144 PolarHBondContact OD2-N 3.38Å |
| 145 | V | 92.1 | Very high | 91 | Very high | 66 Ų | 66 | 88.5 Ų | 88.5 | 40% | 0.4 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.4 | 175.1 | -171.7 | 0 | 0 | 0 | 0 | 107.7 | V130 L132 I160 | V130-V145 HydrophobicContact CG1-CG1 3.77Å; L132-V145 HydrophobicContact CD2-CB 4.2Å; L132-V145 HydrophobicContact CD2-CG1 4.11Å; L132-V145 HydrophobicContact CD2-CG2 3.67Å; V145-I160 HydrophobicContact CG1-CD1 4.25Å; V145-I160 HydrophobicContact CG1-CG2 4.21Å |
| 146 | N | 92 | Very high | 90.9 | Very high | 66 Ų | 66 | 79.6 Ų | 79.6 | 35% | 0.353 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 132 | 170.9 | -177.6 | 13.5 | 0 | 0 | 0 | 109 | V130 T131 F183 | V130-N146 CarbonylContact C-O 3.55Å; V130-N146 WeakPolarHBondContact CA-O 3.46Å; T131-N146 PolarHBondContact N-O 3.21Å; T131-N146 PolarHBondContact O-N 3.23Å; T131-N146 WeakPolarHBondContact OG1-CB 3.19Å; N146-F183 WeakPolarHBondContact OD1-CB 3.43Å |
| 147 | C | 92.2 | Very high | 90.9 | Very high | 10 Ų | 10 | 76 Ų | 76 | 7% | 0.068 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.9 | -178.1 | -170 | 0 | 0 | 0 | 0 | 108.1 | R129 F158 I160 | R129-C147 WeakPolarHBondContact O-CA 3.36Å; C147-F158 HydrophobicContact CB-CD1 4.11Å; C147-F158 HydrophobicContact CB-CE1 4.36Å; C147-F158 VanDerWaalsContact SG-CD1 3.52Å; C147-I160 HydrophobicContact CB-CD1 3.87Å; C147-I160 HydrophobicContact CB-CG1 4.35Å |
| 148 | S | 92.3 | Very high | 91 | Very high | 25 Ų | 25 | 73.8 Ų | 73.8 | 18% | 0.175 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 146.9 | -175.9 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | P128 R129 P150 N182 | P128-S148 CarbonylContact C-O 3.57Å; P128-S148 WeakPolarHBondContact CA-O 3.34Å; R129-S148 PolarHBondContact N-O 3.13Å; R129-S148 PolarHBondContact O-N 3.28Å; S148-P150 WeakPolarHBondContact O-CD 3.22Å; S148-N182 WeakPolarHBondContact CA-O 3.26Å; S148-N182 WeakPolarHBondContact CB-O 3.43Å |
| 149 | V | 93.3 | Very high | 91 | Very high | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.024 | 39% | 0.393 | C | S | . | . | trans | -117.2 | 68 | 171.9 | -169.5 | 0 | 0 | 0 | 0 | 108.5 | V125 P126 P128 E151 E152 I156 F158 N182 | V125-V149 HydrophobicContact CG1-CG1 4.44Å; P126-V149 HydrophobicContact CB-CG1 3.78Å; P126-V149 HydrophobicContact CG-CG1 4Å; P128-V149 HydrophobicContact CB-CG2 4Å; V149-E151 PolarHBondContact O-N 2.86Å; V149-E152 HydrophobicContact CB-CB 4.41Å; V149-E152 HydrophobicContact CG1-CB 4.03Å; V149-E152 HydrophobicContact CG1-CG 3.93Å; V149-E152 PolarHBondContact O-N 2.9Å; V149-I156 HydrophobicContact CB-CD1 4.33Å; V149-F158 HydrophobicContact CG2-CE1 3.73Å; V149-F158 HydrophobicContact CG2-CZ 4.05Å; V149-N182 VanDerWaalsContact C-ND2 3.29Å; V149-N182 PolarHBondContact N-OD1 2.86Å; V149-N182 PolarHBondContact O-ND2 3.24Å; V149-N182 PolarHBondContact O-OD1 2.87Å | ||
| 150 | P | 90.5 | Very high | 91.1 | Very high | 67 Ų | 67 | 63.2 Ų | 63.2 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -20 | -160.3 | 23.1 | -33.4 | 0 | 0 | 0 | 115.3 | S148 E152 | S148-P150 WeakPolarHBondContact O-CD 3.22Å; P150-E152 VanDerWaalsContact C-N 3.3Å |
| 151 | E | 91.4 | Very high | 91.2 | Very high | 52 Ų | 52 | 64 Ų | 64 | 24% | 0.243 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -12.5 | 176.8 | -55.5 | 79.8 | -172.8 | 0 | 0 | 113.8 | P126 R129 V149 | P126-E151 HydrophobicContact CG-CB 4.26Å; R129-E151 IonicContact CZ-OE1 2.71Å; R129-E151 IonicContact NE-OE1 2.73Å; R129-E151 IonicContact NH2-OE1 3.56Å; R129-E151 PolarHBondContact NH2-OE1 2.71Å; V149-E151 PolarHBondContact O-N 2.86Å |
| 152 | E | 91.9 | Very high | 91.1 | Very high | 19 Ų | 19 | 68.6 Ų | 68.6 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -110.1 | 167.6 | -177.7 | -74 | -61 | 162.1 | 0 | 0 | 113.7 | N44 I96 P126 V149 P150 I156 N182 | N44-E152 PolarHBondContact ND2-OE1 2.79Å; I96-E152 PolarHBondContact N-OE1 3.13Å; I96-E152 VanDerWaalsContact N-OE1 3.16Å; P126-E152 HydrophobicContact CG-CG 4.04Å; V149-E152 HydrophobicContact CB-CB 4.41Å; V149-E152 HydrophobicContact CG1-CB 4.03Å; V149-E152 HydrophobicContact CG1-CG 3.93Å; V149-E152 PolarHBondContact O-N 2.9Å; P150-E152 VanDerWaalsContact C-N 3.3Å; E152-I156 HydrophobicContact CB-CD1 4.08Å; E152-N182 PolarHBondContact O-ND2 3.04Å |
| 153 | K | 89.9 | Confident | 91 | Very high | 130 Ų | 130 | 67.3 Ų | 67.3 | 57% | 0.565 | 35% | 0.347 | S | S | * | . | trans | -111.3 | 153.8 | 177.8 | -67.2 | 176.9 | -174.6 | 165.6 | 0 | 111 | Y97 I156 | Y97-K153 HydrophobicContact CD1-CB 4.06Å; Y97-K153 HydrophobicContact CD1-CD 3.66Å; Y97-K153 HydrophobicContact CD1-CG 3.71Å; Y97-K153 HydrophobicContact CD2-CD 4.45Å; Y97-K153 HydrophobicContact CE1-CD 3.93Å; Y97-K153 HydrophobicContact CE1-CG 3.89Å; Y97-K153 HydrophobicContact CG-CD 3.94Å; Y97-K153 HydrophobicContact CG-CG 4.46Å; K153-I156 WeakPolarHBondContact O-CG1 3.03Å | ||
| 154 | A | 87.4 | Confident | 90.6 | Very high | 37 Ų | 37 | 67.4 Ų | 67.4 | 31% | 0.306 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -65.4 | 153.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R179 | A154-R179 WeakPolarHBondContact CB-O 3.48Š|
| 155 | P | 90.8 | Very high | 89.7 | Confident | 113 Ų | 113 | 66.5 Ų | 66.5 | 73% | 0.734 | 35% | 0.352 | S | S | * | . | cis | -82.1 | 138.4 | 4.6 | 32.3 | -34.4 | 0 | 0 | 0 | 113.8 | S178 | P155-S178 WeakPolarHBondContact CA-O 3.25Š| ||
| 156 | I | 89.9 | Confident | 88.7 | Confident | 23 Ų | 23 | 70.7 Ų | 70.7 | 12% | 0.118 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 132.7 | 176.2 | -56.9 | 168.5 | 0 | 0 | 0 | 109.8 | V149 E152 K153 F158 S178 N182 | V149-I156 HydrophobicContact CB-CD1 4.33Å; E152-I156 HydrophobicContact CB-CD1 4.08Å; K153-I156 WeakPolarHBondContact O-CG1 3.03Å; I156-F158 HydrophobicContact CB-CD2 4.45Å; I156-F158 HydrophobicContact CB-CE2 3.83Å; I156-F158 HydrophobicContact CB-CZ 4.17Å; I156-F158 HydrophobicContact CD1-CZ 4.45Å; I156-F158 HydrophobicContact CG2-CD1 4.42Å; I156-F158 HydrophobicContact CG2-CD2 4.02Å; I156-F158 HydrophobicContact CG2-CE1 4.02Å; I156-F158 HydrophobicContact CG2-CE2 3.56Å; I156-F158 HydrophobicContact CG2-CG 4.44Å; I156-F158 HydrophobicContact CG2-CZ 3.56Å; I156-S178 PolarHBondContact N-O 2.89Å; I156-S178 PolarHBondContact O-N 2.89Å; I156-N182 HydrophobicContact CD1-CB 4.49Å; I156-N182 WeakPolarHBondContact CD1-OD1 3.48Å |
| 157 | H | 91.3 | Very high | 87.7 | Confident | 96 Ų | 96 | 73.2 Ų | 73.2 | 44% | 0.444 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 117.5 | 173 | -179.3 | 80.7 | 0 | 0 | 0 | 110.4 | T159 N177 | H157-T159 PolarHBondContact NE2-OG1 2.86Å; H157-N177 PolarHBondContact ND1-OD1 2.97Å |
| 158 | F | 92.1 | Very high | 86.4 | Confident | 13 Ų | 13 | 81.8 Ų | 81.8 | 6% | 0.057 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.8 | 176.8 | -67.2 | -80.4 | 0 | 0 | 0 | 111.1 | C147 V149 I156 E175 K176 | C147-F158 HydrophobicContact CB-CD1 4.11Å; C147-F158 HydrophobicContact CB-CE1 4.36Å; C147-F158 VanDerWaalsContact SG-CD1 3.52Å; V149-F158 HydrophobicContact CG2-CE1 3.73Å; V149-F158 HydrophobicContact CG2-CZ 4.05Å; I156-F158 HydrophobicContact CB-CD2 4.45Å; I156-F158 HydrophobicContact CB-CE2 3.83Å; I156-F158 HydrophobicContact CB-CZ 4.17Å; I156-F158 HydrophobicContact CD1-CZ 4.45Å; I156-F158 HydrophobicContact CG2-CD1 4.42Å; I156-F158 HydrophobicContact CG2-CD2 4.02Å; I156-F158 HydrophobicContact CG2-CE1 4.02Å; I156-F158 HydrophobicContact CG2-CE2 3.56Å; I156-F158 HydrophobicContact CG2-CG 4.44Å; I156-F158 HydrophobicContact CG2-CZ 3.56Å; F158-E175 CarbonylContact O-C 3.55Å; F158-E175 VanDerWaalsContact O-CA 3.29Å; F158-E175 WeakPolarHBondContact O-CA 3.36Å; F158-K176 PolarHBondContact N-O 3.43Å; F158-K176 PolarHBondContact O-N 3Å |
| 159 | T | 92.1 | Very high | 85.5 | Confident | 64 Ų | 64 | 86 Ų | 86 | 39% | 0.393 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125 | 165.1 | -71.4 | 0 | 0 | 0 | 0 | 108.6 | H157 E161 K173 | H157-T159 PolarHBondContact NE2-OG1 2.86Å; T159-E161 HydrophobicContact CG2-CG 4.27Å; T159-K173 HydrophobicContact CG2-CD 4.33Å; T159-K173 HydrophobicContact CG2-CG 4.12Å |
| 160 | I | 91.6 | Very high | 84.6 | Confident | 54 Ų | 54 | 89.3 Ų | 89.3 | 28% | 0.277 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 123.7 | 179.3 | -58.3 | 177.4 | 0 | 0 | 0 | 108.8 | V145 C147 K173 R174 | V145-I160 HydrophobicContact CG1-CD1 4.25Å; V145-I160 HydrophobicContact CG1-CG2 4.21Å; C147-I160 HydrophobicContact CB-CD1 3.87Å; C147-I160 HydrophobicContact CB-CG1 4.35Å; I160-K173 CarbonylContact O-C 3.58Å; I160-K173 WeakPolarHBondContact O-CA 3.24Å; I160-R174 PolarHBondContact N-O 2.97Å; I160-R174 PolarHBondContact O-N 2.9Å |
| 161 | E | 90.7 | Very high | 84 | Confident | 98 Ų | 98 | 91.5 Ų | 91.5 | 46% | 0.458 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.2 | 179.5 | -69.3 | -179.4 | 172.6 | 0 | 0 | 111.1 | T159 L163 V170 L172 K173 | T159-E161 HydrophobicContact CG2-CG 4.27Å; E161-L163 HydrophobicContact CB-CD2 4.45Å; E161-V170 HydrophobicContact CB-CG1 4.17Å; E161-V170 HydrophobicContact CG-CG1 4.13Å; E161-L172 CarbonylContact C-O 3.57Å; E161-L172 WeakPolarHBondContact CA-O 3.5Å; E161-K173 HydrophobicContact CG-CB 4.37Å; E161-K173 HydrophobicContact CG-CG 3.98Å |
| 162 | K | 88.6 | Confident | 83.5 | Confident | 130 Ų | 130 | 93 Ų | 93 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 116.9 | 170.4 | -177.2 | -175.5 | 176.7 | -178.1 | 0 | 108.5 | K171 L172 | K162-K171 HydrophobicContact CD-CB 4.37Å; K162-K171 HydrophobicContact CG-CB 4.49Å; K162-K171 PolarHBondContact O-N 2.93Å; K162-L172 HydrophobicContact CB-CB 3.95Å; K162-L172 HydrophobicContact CD-CB 4.48Å; K162-L172 PolarHBondContact N-O 2.77Å |
| 163 | L | 87.3 | Confident | 83.4 | Confident | 104 Ų | 104 | 97 Ų | 97 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 145.4 | 179.5 | -56.1 | 178 | 0 | 0 | 0 | 111.4 | E161 V170 | E161-L163 HydrophobicContact CB-CD2 4.45Å; L163-V170 HydrophobicContact CD2-CG2 3.75Å |
| 164 | E | 83 | Confident | 83.3 | Confident | 59 Ų | 59 | 99 Ų | 99 | 28% | 0.276 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -89.3 | 120.7 | 160.1 | 179.8 | 152 | -122.2 | 0 | 0 | 109.9 | N166 E167 K168 M169 K171 | E164-N166 PolarHBondContact O-N 2.91Å; E164-E167 HydrophobicContact CG-CB 4.48Å; E164-E167 PolarHBondContact O-N 3.48Å; E164-K168 PolarHBondContact O-N 2.84Å; E164-M169 PolarHBondContact N-O 3.14Å; E164-M169 VanDerWaalsContact N-O 3.09Å; E164-K171 HydrophobicContact CB-CD 4.28Å; E164-K171 HydrophobicContact CB-CG 4.48Å; E164-K171 VanDerWaalsContact CD-CE 3.45Å; E164-K171 IonicContact OE1-NZ 2.68Å; E164-K171 PolarHBondContact OE1-NZ 2.96Å; E164-K171 WeakPolarHBondContact OE2-CE 3.21Å; E164-K171 IonicContact OE2-NZ 2.72Å; E164-K171 PolarHBondContact OE2-NZ 3.1Å |
| 165 | L | 73.6 | Confident | 83.4 | Confident | 167 Ų | 167 | 102.9 Ų | 102.9 | 87% | 0.874 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -32.1 | -173.4 | -74.6 | 163.9 | 0 | 0 | 0 | 113.1 | ||
| 166 | N | 71.4 | Confident | 83.2 | Confident | 153 Ų | 153 | 102.5 Ų | 102.5 | 82% | 0.818 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -17.8 | -172.9 | -65 | -8.4 | 0 | 0 | 0 | 113.7 | E164 | E164-N166 PolarHBondContact O-N 2.91Š|
| 167 | E | 70.8 | Confident | 83.1 | Confident | 119 Ų | 119 | 106.7 Ų | 106.7 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.6 | -5.1 | -172.2 | -60.7 | -175.1 | 174.7 | 0 | 0 | 113.3 | E164 M169 | E164-E167 HydrophobicContact CG-CB 4.48Å; E164-E167 PolarHBondContact O-N 3.48Å; E167-M169 HydrophobicContact CB-CB 4.28Å; E167-M169 HydrophobicContact CB-CG 3.86Å; E167-M169 HydrophobicContact CB-SD 4.2Å; E167-M169 PolarHBondContact O-N 3.17Å; E167-M169 VanDerWaalsContact OE2-SD 3.4Å |
| 168 | K | 65.5 | Low | 82.6 | Confident | 191 Ų | 191 | 102.5 Ų | 102.5 | 83% | 0.83 | 49% | 0.492 | S | S | * | . | trans | 47.8 | 23.3 | -169.5 | -66.5 | -175.4 | 179.6 | 179.2 | 0 | 113.2 | E164 | E164-K168 PolarHBondContact O-N 2.84Š| ||
| 169 | M | 72 | Confident | 82.1 | Confident | 114 Ų | 114 | 111 Ų | 111 | 56% | 0.562 | 52% | 0.524 | S | S | * | . | trans | -83 | 130.8 | 177.3 | -69.8 | -174.7 | 77.9 | 0 | 0 | 109.6 | E164 E167 K171 | E164-M169 PolarHBondContact N-O 3.14Å; E164-M169 VanDerWaalsContact N-O 3.09Å; E167-M169 HydrophobicContact CB-CB 4.28Å; E167-M169 HydrophobicContact CB-CG 3.86Å; E167-M169 HydrophobicContact CB-SD 4.2Å; E167-M169 PolarHBondContact O-N 3.17Å; E167-M169 VanDerWaalsContact OE2-SD 3.4Å; M169-K171 PolarHBondContact O-N 2.99Å | ||
| 170 | V | 74.4 | Confident | 81.6 | Confident | 73 Ų | 73 | 115 Ų | 115 | 44% | 0.442 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 109.6 | 172.3 | -179.8 | 0 | 0 | 0 | 0 | 108 | E161 L163 | E161-V170 HydrophobicContact CB-CG1 4.17Å; E161-V170 HydrophobicContact CG-CG1 4.13Å; L163-V170 HydrophobicContact CD2-CG2 3.75Å |
| 171 | K | 77.8 | Confident | 80.7 | Confident | 113 Ų | 113 | 118 Ų | 118 | 49% | 0.491 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.4 | -29 | 178.1 | -75.8 | -167.4 | 165.5 | 171.5 | 0 | 113 | K162 E164 M169 | K162-K171 HydrophobicContact CD-CB 4.37Å; K162-K171 HydrophobicContact CG-CB 4.49Å; K162-K171 PolarHBondContact O-N 2.93Å; E164-K171 HydrophobicContact CB-CD 4.28Å; E164-K171 HydrophobicContact CB-CG 4.48Å; E164-K171 VanDerWaalsContact CD-CE 3.45Å; E164-K171 IonicContact OE1-NZ 2.68Å; E164-K171 PolarHBondContact OE1-NZ 2.96Å; E164-K171 WeakPolarHBondContact OE2-CE 3.21Å; E164-K171 IonicContact OE2-NZ 2.72Å; E164-K171 PolarHBondContact OE2-NZ 3.1Å; M169-K171 PolarHBondContact O-N 2.99Å |
| 172 | L | 82.5 | Confident | 79.4 | Confident | 82 Ų | 82 | 114.5 Ų | 114.5 | 43% | 0.429 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 135.2 | -177.6 | -175.5 | 66.9 | 0 | 0 | 0 | 109.5 | E161 K162 R174 | E161-L172 CarbonylContact C-O 3.57Å; E161-L172 WeakPolarHBondContact CA-O 3.5Å; K162-L172 HydrophobicContact CB-CB 3.95Å; K162-L172 HydrophobicContact CD-CB 4.48Å; K162-L172 PolarHBondContact N-O 2.77Å; L172-R174 HydrophobicContact CD2-CG 4.45Å; L172-R174 HydrophobicContact CG-CG 4.42Å |
| 173 | K | 89.6 | Confident | 78 | Confident | 104 Ų | 104 | 113.9 Ų | 113.9 | 45% | 0.452 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 136.6 | 170.1 | -170.8 | -177.1 | -170.1 | -153.2 | 0 | 108.8 | T159 I160 E161 E175 | T159-K173 HydrophobicContact CG2-CD 4.33Å; T159-K173 HydrophobicContact CG2-CG 4.12Å; I160-K173 CarbonylContact O-C 3.58Å; I160-K173 WeakPolarHBondContact O-CA 3.24Å; E161-K173 HydrophobicContact CG-CB 4.37Å; E161-K173 HydrophobicContact CG-CG 3.98Å; K173-E175 VanDerWaalsContact CE-OE1 3.26Å; K173-E175 WeakPolarHBondContact CE-OE1 2.98Å; K173-E175 IonicContact NZ-OE1 2.94Å; K173-E175 PolarHBondContact NZ-OE1 3.24Å |
| 174 | R | 87.8 | Confident | 77.6 | Confident | 173 Ų | 173 | 114.4 Ų | 114.4 | 65% | 0.653 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 139.3 | 171.9 | -70.9 | -169.3 | 175.4 | 174.4 | 0.2 | 109.6 | I160 L172 | I160-R174 PolarHBondContact N-O 2.97Å; I160-R174 PolarHBondContact O-N 2.9Å; L172-R174 HydrophobicContact CD2-CG 4.45Å; L172-R174 HydrophobicContact CG-CG 4.42Å |
| 175 | E | 89.9 | Confident | 77.3 | Confident | 118 Ų | 118 | 117.3 Ų | 117.3 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121 | 141.7 | 179.7 | -63.9 | 177.6 | -173.1 | 0 | 0 | 109.4 | F158 K173 | F158-E175 CarbonylContact O-C 3.55Å; F158-E175 VanDerWaalsContact O-CA 3.29Å; F158-E175 WeakPolarHBondContact O-CA 3.36Å; K173-E175 VanDerWaalsContact CE-OE1 3.26Å; K173-E175 WeakPolarHBondContact CE-OE1 2.98Å; K173-E175 IonicContact NZ-OE1 2.94Å; K173-E175 PolarHBondContact NZ-OE1 3.24Å |
| 176 | K | 86.4 | Confident | 77.5 | Confident | 104 Ų | 104 | 114.5 Ų | 114.5 | 45% | 0.452 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 124.8 | 177.9 | -168.4 | -172 | -175.9 | -163.3 | 0 | 109.7 | F158 F183 | F158-K176 PolarHBondContact N-O 3.43Å; F158-K176 PolarHBondContact O-N 3Å; K176-F183 PolarHBondContact NZ-O 2.87Å; K176-F183 PolarHBondContact NZ-OXT 2.9Å |
| 177 | N | 85.9 | Confident | 77.9 | Confident | 111 Ų | 111 | 112.2 Ų | 112.2 | 59% | 0.594 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 105.9 | 168.1 | -73 | -53.8 | 0 | 0 | 0 | 108.6 | H157 | H157-N177 PolarHBondContact ND1-OD1 2.97Å |
| 178 | S | 82.6 | Confident | 78.3 | Confident | 8 Ų | 8 | 111.8 Ų | 111.8 | 6% | 0.056 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 112.1 | 175 | -65.7 | 0 | 0 | 0 | 0 | 109.3 | P155 I156 Q181 F183 | P155-S178 WeakPolarHBondContact CA-O 3.25Å; I156-S178 PolarHBondContact N-O 2.89Å; I156-S178 PolarHBondContact O-N 2.89Å; S178-Q181 WeakPolarHBondContact CB-O 3.18Å; S178-F183 PolarHBondContact OG-O 2.81Å |
| 179 | R | 81.3 | Confident | 79.2 | Confident | 193 Ų | 193 | 106.5 Ų | 106.5 | 73% | 0.728 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -87.7 | -37.4 | -172.4 | -65.7 | -175.8 | -177.3 | 174.7 | 0.2 | 113.9 | A154 | A154-R179 WeakPolarHBondContact CB-O 3.48Š|
| 180 | D | 80.6 | Confident | 79.7 | Confident | 148 Ų | 148 | 106 Ų | 106 | 79% | 0.791 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -117 | -12.5 | -171.5 | -49.5 | -57.8 | 0 | 0 | 0 | 112.9 | ||
| 181 | Q | 72.9 | Confident | 80.1 | Confident | 116 Ų | 116 | 108.5 Ų | 108.5 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -140.9 | 164.3 | -172.5 | -63.5 | -177.6 | 5.5 | 0 | 0 | 111.2 | S178 F183 | S178-Q181 WeakPolarHBondContact CB-O 3.18Å; Q181-F183 HydrophobicContact CB-CE1 4.29Å; Q181-F183 HydrophobicContact CB-CZ 4.24Å |
| 182 | N | 63.6 | Low | 80.3 | Confident | 24 Ų | 24 | 108.2 Ų | 108.2 | 13% | 0.128 | 49% | 0.491 | C | S | . | . | trans | -104.1 | 40.5 | -174.5 | -161.3 | -26.6 | 0 | 0 | 0 | 113 | S148 V149 E152 I156 | S148-N182 WeakPolarHBondContact CA-O 3.26Å; S148-N182 WeakPolarHBondContact CB-O 3.43Å; V149-N182 VanDerWaalsContact C-ND2 3.29Å; V149-N182 PolarHBondContact N-OD1 2.86Å; V149-N182 PolarHBondContact O-ND2 3.24Å; V149-N182 PolarHBondContact O-OD1 2.87Å; E152-N182 PolarHBondContact O-ND2 3.04Å; I156-N182 HydrophobicContact CD1-CB 4.49Å; I156-N182 WeakPolarHBondContact CD1-OD1 3.48Å | ||
| 183 | F | 60.2 | Low | 80.1 | Confident | 117 Ų | 117 | 110.5 Ų | 110.5 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | trans | -166.5 | 0 | 177.3 | 46.4 | -91.2 | 0 | 0 | 0 | 111.5 | N146 K176 S178 Q181 | N146-F183 WeakPolarHBondContact OD1-CB 3.43Å; K176-F183 PolarHBondContact NZ-O 2.87Å; K176-F183 PolarHBondContact NZ-OXT 2.9Å; S178-F183 PolarHBondContact OG-O 2.81Å; Q181-F183 HydrophobicContact CB-CE1 4.29Å; Q181-F183 HydrophobicContact CB-CZ 4.24Å |
Retrieved 183 of 183 residues in 167.5 ms
(Link to these results)