| 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 | 47.1 | Very low | 78.3 | Confident | 239 Ų | 239 | 130.7 Ų | 130.7 | 100% | 1.177 | 67% | 0.666 | S | S | * | * | 0 | 126.5 | 0 | -71.7 | -178.7 | -169.6 | 0 | 0 | 108.1 | L3 | M1-L3 PolarHBondContact O-N 2.76Š| |||
| 2 | S | 58.4 | Low | 79.4 | Confident | 111 Ų | 111 | 122.4 Ų | 122.4 | 78% | 0.776 | 62% | 0.624 | S | S | * | * | trans | -66.1 | 121.2 | 173.6 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | R4 | S2-R4 VanDerWaalsContact C-N 3.34Å; S2-R4 PolarHBondContact O-N 3.19Å | ||
| 3 | L | 67.1 | Low | 80.3 | Confident | 169 Ų | 169 | 124.5 Ų | 124.5 | 89% | 0.885 | 63% | 0.626 | S | S | * | * | trans | -62.3 | 99.8 | 167.4 | -102.9 | 96.2 | 0 | 0 | 0 | 106.9 | M1 K5 | M1-L3 PolarHBondContact O-N 2.76Å; L3-K5 PolarHBondContact O-N 3.07Å | ||
| 4 | R | 70.5 | Confident | 81.2 | Confident | 236 Ų | 236 | 123 Ų | 123 | 89% | 0.891 | 62% | 0.616 | S | S | * | * | trans | -62.9 | 107 | 170.3 | -79.5 | -172.6 | 172.7 | -179 | -1.3 | 107.5 | S2 Q6 | S2-R4 VanDerWaalsContact C-N 3.34Å; S2-R4 PolarHBondContact O-N 3.19Å; R4-Q6 PolarHBondContact O-N 2.84Å | ||
| 5 | K | 80.2 | Confident | 82.1 | Confident | 195 Ų | 195 | 114.9 Ų | 114.9 | 85% | 0.848 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 118.3 | 169.5 | -89.4 | -176.1 | 173.7 | -179.7 | 0 | 108.1 | L3 T7 | L3-K5 PolarHBondContact O-N 3.07Å; K5-T7 PolarHBondContact O-N 2.74Å |
| 6 | Q | 84.3 | Confident | 83 | Confident | 127 Ų | 127 | 113.1 Ų | 113.1 | 59% | 0.593 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 125.7 | 171.3 | -120.4 | 174.9 | -31.6 | 0 | 0 | 108.8 | R4 D10 Q14 | R4-Q6 PolarHBondContact O-N 2.84Å; Q6-D10 HydrophobicContact CG-CB 4.27Å; Q6-Q14 VanDerWaalsContact NE2-CD 3.31Å |
| 7 | T | 90.2 | Very high | 83.8 | Confident | 62 Ų | 62 | 109.6 Ų | 109.6 | 38% | 0.38 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -85.2 | 159.3 | 174.3 | 68.8 | 0 | 0 | 0 | 0 | 110.3 | K5 S9 D10 F11 | K5-T7 PolarHBondContact O-N 2.74Å; T7-S9 PolarHBondContact O-N 3.29Å; T7-D10 WeakPolarHBondContact CB-OD2 3.25Å; T7-D10 PolarHBondContact N-OD2 3.19Å; T7-D10 WeakPolarHBondContact O-CB 3.42Å; T7-D10 PolarHBondContact O-N 2.97Å; T7-D10 VanDerWaalsContact O-N 3.07Å; T7-D10 PolarHBondContact OG1-N 2.83Å; T7-D10 VanDerWaalsContact OG1-N 3.09Å; T7-D10 PolarHBondContact OG1-OD2 3.12Å; T7-F11 PolarHBondContact O-N 3.13Å; T7-F11 VanDerWaalsContact O-N 3.1Å |
| 8 | P | 90.2 | Very high | 84.5 | Confident | 102 Ų | 102 | 112.2 Ų | 112.2 | 66% | 0.662 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -54.1 | -39.6 | 169.7 | -26.9 | 35.7 | 0 | 0 | 0 | 112.2 | D10 F11 L12 | P8-D10 VanDerWaalsContact C-N 3.31Å; P8-D10 PolarHBondContact O-N 2.89Å; P8-F11 WeakPolarHBondContact O-CB 3.34Å; P8-F11 PolarHBondContact O-N 2.95Å; P8-L12 VanDerWaalsContact O-CG 3.29Å; P8-L12 WeakPolarHBondContact O-CG 3.48Å; P8-L12 PolarHBondContact O-N 2.89Å |
| 9 | S | 89.4 | Confident | 85.2 | Confident | 73 Ų | 73 | 109.8 Ų | 109.8 | 51% | 0.51 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.1 | -35.6 | 176.8 | -54.5 | 0 | 0 | 0 | 0 | 112.9 | T7 L12 K13 | T7-S9 PolarHBondContact O-N 3.29Å; S9-L12 PolarHBondContact O-N 2.85Å; S9-K13 WeakPolarHBondContact O-CG 3.42Å; S9-K13 PolarHBondContact O-N 3.23Å; S9-K13 VanDerWaalsContact O-N 3.12Å |
| 10 | D | 92.1 | Very high | 85.8 | Confident | 59 Ų | 59 | 104.3 Ų | 104.3 | 32% | 0.316 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | 174.4 | -60.7 | -43.7 | 0 | 0 | 0 | 111.3 | Q6 T7 P8 K13 Q14 | Q6-D10 HydrophobicContact CG-CB 4.27Å; T7-D10 WeakPolarHBondContact CB-OD2 3.25Å; T7-D10 PolarHBondContact N-OD2 3.19Å; T7-D10 WeakPolarHBondContact O-CB 3.42Å; T7-D10 PolarHBondContact O-N 2.97Å; T7-D10 VanDerWaalsContact O-N 3.07Å; T7-D10 PolarHBondContact OG1-N 2.83Å; T7-D10 VanDerWaalsContact OG1-N 3.09Å; T7-D10 PolarHBondContact OG1-OD2 3.12Å; P8-D10 VanDerWaalsContact C-N 3.31Å; P8-D10 PolarHBondContact O-N 2.89Å; D10-K13 PolarHBondContact O-N 3.48Å; D10-Q14 VanDerWaalsContact O-CG 3.31Å; D10-Q14 WeakPolarHBondContact O-CG 3.34Å; D10-Q14 PolarHBondContact O-N 2.79Å |
| 11 | F | 91.7 | Very high | 86.4 | Confident | 65 Ų | 65 | 100.1 Ų | 100.1 | 29% | 0.285 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 174.5 | 172.7 | -102.6 | 0 | 0 | 0 | 111.3 | T7 P8 K13 Q14 I15 I73 T75 | T7-F11 PolarHBondContact O-N 3.13Å; T7-F11 VanDerWaalsContact O-N 3.1Å; P8-F11 WeakPolarHBondContact O-CB 3.34Å; P8-F11 PolarHBondContact O-N 2.95Å; F11-K13 VanDerWaalsContact C-N 3.32Å; F11-K13 PolarHBondContact O-N 3.5Å; F11-Q14 WeakPolarHBondContact O-CB 3.48Å; F11-Q14 PolarHBondContact O-N 2.63Å; F11-I15 HydrophobicContact CD1-CD1 4.32Å; F11-I15 HydrophobicContact CD2-CG2 4.37Å; F11-I15 HydrophobicContact CE1-CD1 3.74Å; F11-I15 HydrophobicContact CE1-CG1 4.49Å; F11-I15 HydrophobicContact CE1-CG2 4.39Å; F11-I15 HydrophobicContact CE2-CG2 3.85Å; F11-I15 HydrophobicContact CZ-CD1 4.13Å; F11-I15 HydrophobicContact CZ-CG2 3.86Å; F11-I15 WeakPolarHBondContact O-CG1 3.29Å; F11-I15 PolarHBondContact O-N 2.97Å; F11-I73 HydrophobicContact CE1-CG2 4.24Å; F11-T75 HydrophobicContact CE2-CG2 4.18Å; F11-T75 HydrophobicContact CZ-CG2 4.41Å |
| 12 | L | 91.9 | Very high | 88.8 | Confident | 31 Ų | 31 | 88.8 Ų | 88.8 | 16% | 0.162 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -58.9 | -43 | 179.9 | -66.7 | 172.3 | 0 | 0 | 0 | 111.7 | P8 S9 Q14 I15 I16 L37 M41 I73 | P8-L12 VanDerWaalsContact O-CG 3.29Å; P8-L12 WeakPolarHBondContact O-CG 3.48Å; P8-L12 PolarHBondContact O-N 2.89Å; S9-L12 PolarHBondContact O-N 2.85Å; L12-Q14 VanDerWaalsContact C-N 3.27Å; L12-Q14 PolarHBondContact O-N 2.86Å; L12-I15 HydrophobicContact CD2-CD1 4.24Å; L12-I15 WeakPolarHBondContact O-CG1 3.48Å; L12-I15 PolarHBondContact O-N 2.82Å; L12-I16 PolarHBondContact O-N 3.25Å; L12-L37 HydrophobicContact CB-CD1 4.4Å; L12-L37 HydrophobicContact CB-CD2 4.17Å; L12-L37 HydrophobicContact CD1-CD1 3.86Å; L12-L37 HydrophobicContact CD2-CD1 4.25Å; L12-L37 HydrophobicContact CD2-CD2 3.77Å; L12-L37 HydrophobicContact CG-CD1 4.38Å; L12-L37 HydrophobicContact CG-CD2 4.4Å; L12-M41 HydrophobicContact CD1-SD 4.21Å; L12-M41 HydrophobicContact CD2-CE 4.27Å; L12-M41 HydrophobicContact CD2-SD 4.38Å; L12-I73 HydrophobicContact CD2-CG2 4.32Å |
| 13 | K | 91 | Very high | 90.7 | Very high | 150 Ų | 150 | 85.4 Ų | 85.4 | 65% | 0.652 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.5 | -33 | 174.9 | -71.8 | 172 | -176.3 | 175.1 | 0 | 113.2 | S9 D10 F11 I15 | S9-K13 WeakPolarHBondContact O-CG 3.42Å; S9-K13 PolarHBondContact O-N 3.23Å; S9-K13 VanDerWaalsContact O-N 3.12Å; D10-K13 PolarHBondContact O-N 3.48Å; F11-K13 VanDerWaalsContact C-N 3.32Å; F11-K13 PolarHBondContact O-N 3.5Å; K13-I15 VanDerWaalsContact C-N 3.34Å |
| 14 | Q | 92.7 | Very high | 92.2 | Very high | 103 Ų | 103 | 78.4 Ų | 78.4 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -74.3 | -25 | -178.5 | -73.6 | 173.7 | 2.3 | 0 | 0 | 113.6 | Q6 D10 F11 L12 R18 | Q6-Q14 VanDerWaalsContact NE2-CD 3.31Å; D10-Q14 VanDerWaalsContact O-CG 3.31Å; D10-Q14 WeakPolarHBondContact O-CG 3.34Å; D10-Q14 PolarHBondContact O-N 2.79Å; F11-Q14 WeakPolarHBondContact O-CB 3.48Å; F11-Q14 PolarHBondContact O-N 2.63Å; L12-Q14 VanDerWaalsContact C-N 3.27Å; L12-Q14 PolarHBondContact O-N 2.86Å; Q14-R18 VanDerWaalsContact O-CD 3.29Å; Q14-R18 WeakPolarHBondContact O-CD 3.44Å; Q14-R18 PolarHBondContact O-NE 3.04Å |
| 15 | I | 95.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -97 | -10.1 | -174.9 | 59.7 | 163.5 | 0 | 0 | 0 | 113.8 | F11 L12 K13 G17 R18 V20 L34 I73 T75 | F11-I15 HydrophobicContact CD1-CD1 4.32Å; F11-I15 HydrophobicContact CD2-CG2 4.37Å; F11-I15 HydrophobicContact CE1-CD1 3.74Å; F11-I15 HydrophobicContact CE1-CG1 4.49Å; F11-I15 HydrophobicContact CE1-CG2 4.39Å; F11-I15 HydrophobicContact CE2-CG2 3.85Å; F11-I15 HydrophobicContact CZ-CD1 4.13Å; F11-I15 HydrophobicContact CZ-CG2 3.86Å; F11-I15 WeakPolarHBondContact O-CG1 3.29Å; F11-I15 PolarHBondContact O-N 2.97Å; L12-I15 HydrophobicContact CD2-CD1 4.24Å; L12-I15 WeakPolarHBondContact O-CG1 3.48Å; L12-I15 PolarHBondContact O-N 2.82Å; K13-I15 VanDerWaalsContact C-N 3.34Å; I15-G17 PolarHBondContact O-N 2.86Å; I15-R18 WeakPolarHBondContact O-CB 3.34Å; I15-R18 PolarHBondContact O-N 3.22Å; I15-V20 HydrophobicContact CB-CG1 4.09Å; I15-V20 HydrophobicContact CD1-CG1 4.19Å; I15-L34 HydrophobicContact CB-CD2 4.19Å; I15-L34 HydrophobicContact CD1-CD2 3.6Å; I15-L34 HydrophobicContact CG1-CD2 3.51Å; I15-I73 HydrophobicContact CD1-CD1 3.53Å; I15-I73 HydrophobicContact CD1-CG1 3.89Å; I15-I73 HydrophobicContact CD1-CG2 4.41Å; I15-T75 HydrophobicContact CG2-CG2 3.6Å |
| 16 | I | 96.1 | Very high | 94.3 | Very high | 86 Ų | 86 | 66.7 Ų | 66.7 | 44% | 0.441 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 135.3 | 171.1 | -66.5 | 172.2 | 0 | 0 | 0 | 109.5 | L12 R18 L34 | L12-I16 PolarHBondContact O-N 3.25Å; I16-R18 PolarHBondContact O-N 2.76Å; I16-L34 HydrophobicContact CG1-CD2 4.27Å |
| 17 | G | 96.9 | Very high | 94.9 | Very high | 54 Ų | 54 | 62.4 Ų | 62.4 | 56% | 0.557 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 9.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | I15 L34 | I15-G17 PolarHBondContact O-N 2.86Å; G17-L34 WeakPolarHBondContact CA-O 3.32Å; G17-L34 PolarHBondContact N-O 2.8Å |
| 18 | R | 96.9 | Very high | 95.3 | Very high | 156 Ų | 156 | 60.6 Ų | 60.6 | 59% | 0.589 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -113.4 | 154.5 | -179.1 | -57.9 | -168.5 | 179.5 | -127 | -4.8 | 112.4 | Q14 I15 I16 V20 L34 | Q14-R18 VanDerWaalsContact O-CD 3.29Å; Q14-R18 WeakPolarHBondContact O-CD 3.44Å; Q14-R18 PolarHBondContact O-NE 3.04Å; I15-R18 WeakPolarHBondContact O-CB 3.34Å; I15-R18 PolarHBondContact O-N 3.22Å; I16-R18 PolarHBondContact O-N 2.76Å; R18-V20 PolarHBondContact O-N 2.95Å; R18-L34 PolarHBondContact O-N 2.67Å |
| 19 | P | 97.3 | Very high | 95.7 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 126.2 | 168.1 | -23 | 34.1 | 0 | 0 | 0 | 112.1 | G32 Q76 | P19-G32 CarbonylContact C-O 3.55Å; P19-G32 WeakPolarHBondContact CA-O 3.43Å; P19-Q76 HydrophobicContact CB-CB 4.06Å; P19-Q76 VanDerWaalsContact CB-OE1 3.31Å; P19-Q76 PolarHBondContact O-N 3.13Å; P19-Q76 VanDerWaalsContact O-N 3.15Å |
| 20 | V | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 162.9 | -179.8 | -63.7 | 0 | 0 | 0 | 0 | 111 | I15 R18 V22 R31 G32 L34 L45 I73 S74 | I15-V20 HydrophobicContact CB-CG1 4.09Å; I15-V20 HydrophobicContact CD1-CG1 4.19Å; R18-V20 PolarHBondContact O-N 2.95Å; V20-V22 HydrophobicContact CG2-CG2 4.24Å; V20-R31 WeakPolarHBondContact O-CA 3.22Å; V20-G32 PolarHBondContact N-O 2.84Å; V20-G32 PolarHBondContact O-N 2.78Å; V20-L34 HydrophobicContact CG1-CB 4.07Å; V20-L34 HydrophobicContact CG1-CD2 4.47Å; V20-L34 HydrophobicContact CG2-CB 3.91Å; V20-L45 HydrophobicContact CG2-CD2 3.6Å; V20-I73 HydrophobicContact CB-CD1 4.23Å; V20-I73 HydrophobicContact CB-CG1 4.16Å; V20-I73 HydrophobicContact CG1-CD1 4.28Å; V20-I73 HydrophobicContact CG1-CG1 4.41Å; V20-I73 HydrophobicContact CG2-CD1 4.17Å; V20-S74 CarbonylContact C-O 3.56Å; V20-S74 VanDerWaalsContact CA-O 3.32Å; V20-S74 WeakPolarHBondContact CA-O 3.1Å; V20-S74 WeakPolarHBondContact CB-O 3.35Å |
| 21 | V | 97.9 | Very high | 96.4 | Very high | 17 Ų | 17 | 55.2 Ų | 55.2 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124.7 | 165.6 | -175.5 | 0 | 0 | 0 | 0 | 107.9 | D29 Y30 R31 I73 S74 Q76 | V21-D29 HydrophobicContact CG1-CB 4.16Å; V21-Y30 CarbonylContact C-O 3.57Å; V21-Y30 WeakPolarHBondContact CA-O 3.29Å; V21-R31 HydrophobicContact CG1-CG 4.33Å; V21-R31 HydrophobicContact CG2-CG 4.11Å; V21-I73 CarbonylContact O-C 3.57Å; V21-I73 WeakPolarHBondContact O-CA 3.42Å; V21-S74 PolarHBondContact N-O 3.38Å; V21-S74 PolarHBondContact O-N 3.19Å; V21-Q76 HydrophobicContact CG2-CB 4.38Å; V21-Q76 HydrophobicContact CG2-CG 4.27Å |
| 22 | V | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 109 | 173.9 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | V20 L24 Y30 I43 L45 I65 V70 I73 | V20-V22 HydrophobicContact CG2-CG2 4.24Å; V22-L24 HydrophobicContact CG1-CD2 4.28Å; V22-Y30 PolarHBondContact N-O 3.03Å; V22-Y30 PolarHBondContact O-N 2.82Å; V22-I43 HydrophobicContact CG1-CD1 3.81Å; V22-I43 HydrophobicContact CG2-CD1 3.94Å; V22-L45 HydrophobicContact CG2-CD1 4.1Å; V22-L45 HydrophobicContact CG2-CD2 4.43Å; V22-I65 HydrophobicContact CB-CD1 4.3Å; V22-I65 HydrophobicContact CG1-CD1 4.1Å; V22-V70 HydrophobicContact CG1-CG1 3.96Å; V22-V70 HydrophobicContact CG1-CG2 4Å; V22-I73 HydrophobicContact CG2-CD1 4.14Å; V22-I73 HydrophobicContact CG2-CG1 4.21Å |
| 23 | K | 98.1 | Very high | 97 | Very high | 40 Ų | 40 | 52.2 Ų | 52.2 | 17% | 0.174 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 129.8 | 174.5 | -177.3 | 170.8 | -71.3 | -68.5 | 0 | 109 | G27 D29 L71 Y72 | K23-G27 PolarHBondContact NZ-O 3.43Å; K23-D29 WeakPolarHBondContact CB-OD1 3.47Å; K23-D29 WeakPolarHBondContact CE-OD1 3.47Å; K23-D29 WeakPolarHBondContact CG-OD1 3.37Å; K23-D29 IonicContact NZ-OD1 2.61Å; K23-D29 PolarHBondContact NZ-OD1 3Å; K23-D29 IonicContact NZ-OD2 3.18Å; K23-D29 PolarHBondContact NZ-OD2 2.84Å; K23-L71 HydrophobicContact CD-CD2 4.04Å; K23-L71 HydrophobicContact CG-CD2 4.28Å; K23-L71 WeakPolarHBondContact O-CB 3.41Å; K23-L71 PolarHBondContact O-N 3.09Å; K23-Y72 HydrophobicContact CB-CD1 4.09Å; K23-Y72 HydrophobicContact CB-CD2 4.19Å; K23-Y72 HydrophobicContact CB-CE1 3.75Å; K23-Y72 HydrophobicContact CB-CE2 3.81Å; K23-Y72 HydrophobicContact CB-CG 4.31Å; K23-Y72 HydrophobicContact CD-CD1 4.43Å; K23-Y72 HydrophobicContact CD-CE1 3.59Å; K23-Y72 WeakPolarHBondContact CE-OH 3.47Å; K23-Y72 HydrophobicContact CG-CE1 4.18Å; K23-Y72 PolarHBondContact N-O 3.29Å; K23-Y72 PolarHBondContact O-N 3.07Å |
| 24 | L | 98.3 | Very high | 97.3 | Very high | 23 Ų | 23 | 45.1 Ų | 45.1 | 12% | 0.12 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 162.1 | 172.5 | -57.8 | -163.3 | 0 | 0 | 0 | 111.7 | V22 S26 G27 V28 Y30 I65 N69 V70 | V22-L24 HydrophobicContact CG1-CD2 4.28Å; L24-S26 PolarHBondContact O-N 2.75Å; L24-S26 VanDerWaalsContact O-N 3.11Å; L24-G27 PolarHBondContact O-N 3.44Å; L24-V28 PolarHBondContact N-O 3.37Å; L24-Y30 HydrophobicContact CD1-CD2 4.04Å; L24-Y30 HydrophobicContact CD1-CE2 3.48Å; L24-Y30 VanDerWaalsContact CD1-CE2 3.48Å; L24-Y30 HydrophobicContact CD2-CD2 4.36Å; L24-Y30 HydrophobicContact CG-CD2 3.92Å; L24-Y30 HydrophobicContact CG-CE2 3.84Å; L24-I65 HydrophobicContact CD2-CG2 3.76Å; L24-N69 CarbonylContact C-O 3.52Å; L24-N69 VanDerWaalsContact CA-O 3.25Å; L24-N69 WeakPolarHBondContact CA-O 3.34Å; L24-N69 HydrophobicContact CD2-CB 4.47Å; L24-V70 HydrophobicContact CD2-CG2 4.34Å |
| 25 | N | 97.9 | Very high | 97.6 | Very high | 97 Ų | 97 | 41.9 Ų | 41.9 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.4 | 173.1 | -67.8 | -33.5 | 0 | 0 | 0 | 113.3 | G27 N68 N69 | N25-G27 PolarHBondContact O-N 3.15Å; N25-N68 PolarHBondContact ND2-O 3.42Å; N25-N69 PolarHBondContact N-O 3.1Å; N25-N69 PolarHBondContact ND2-O 3.39Å |
| 26 | S | 97.3 | Very high | 97.6 | Very high | 88 Ų | 88 | 45.2 Ų | 45.2 | 62% | 0.615 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.1 | 173.5 | 58.5 | 0 | 0 | 0 | 0 | 114 | L24 V28 | L24-S26 PolarHBondContact O-N 2.75Å; L24-S26 VanDerWaalsContact O-N 3.11Å; S26-V28 VanDerWaalsContact C-N 3.31Å; S26-V28 WeakPolarHBondContact OG-CG2 3.35Å |
| 27 | G | 97.5 | Very high | 97.5 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 37% | 0.371 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 87.7 | -8.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K23 L24 N25 | K23-G27 PolarHBondContact NZ-O 3.43Å; L24-G27 PolarHBondContact O-N 3.44Å; N25-G27 PolarHBondContact O-N 3.15Å |
| 28 | V | 98.4 | Very high | 97.3 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | trans | -67.3 | 138.1 | 174.8 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | L24 S26 Y30 E50 V52 | L24-V28 PolarHBondContact N-O 3.37Å; S26-V28 VanDerWaalsContact C-N 3.31Å; S26-V28 WeakPolarHBondContact OG-CG2 3.35Å; V28-Y30 HydrophobicContact CB-CE2 4.47Å; V28-Y30 HydrophobicContact CG1-CD2 4.3Å; V28-Y30 HydrophobicContact CG1-CE2 3.73Å; V28-E50 HydrophobicContact CG1-CG 3.77Å; V28-V52 HydrophobicContact CG1-CG2 4.38Å; V28-V52 HydrophobicContact CG2-CG2 4.3Å | ||
| 29 | D | 98.1 | Very high | 97.1 | Very high | 21 Ų | 21 | 40 Ų | 40 | 11% | 0.112 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 124 | 176.9 | -67.9 | -30.5 | 0 | 0 | 0 | 110.3 | V21 K23 Y51 | V21-D29 HydrophobicContact CG1-CB 4.16Å; K23-D29 WeakPolarHBondContact CB-OD1 3.47Å; K23-D29 WeakPolarHBondContact CE-OD1 3.47Å; K23-D29 WeakPolarHBondContact CG-OD1 3.37Å; K23-D29 IonicContact NZ-OD1 2.61Å; K23-D29 PolarHBondContact NZ-OD1 3Å; K23-D29 IonicContact NZ-OD2 3.18Å; K23-D29 PolarHBondContact NZ-OD2 2.84Å; D29-Y51 PolarHBondContact N-O 3.27Å; D29-Y51 PolarHBondContact O-N 3.31Å |
| 30 | Y | 98.3 | Very high | 96.9 | Very high | 38 Ų | 38 | 46 Ų | 46 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 133 | 164.6 | -68.5 | -87.3 | 0 | 0 | 0 | 109.4 | V21 V22 L24 V28 T48 E49 E50 Y60 I65 | V21-Y30 CarbonylContact C-O 3.57Å; V21-Y30 WeakPolarHBondContact CA-O 3.29Å; V22-Y30 PolarHBondContact N-O 3.03Å; V22-Y30 PolarHBondContact O-N 2.82Å; L24-Y30 HydrophobicContact CD1-CD2 4.04Å; L24-Y30 HydrophobicContact CD1-CE2 3.48Å; L24-Y30 VanDerWaalsContact CD1-CE2 3.48Å; L24-Y30 HydrophobicContact CD2-CD2 4.36Å; L24-Y30 HydrophobicContact CG-CD2 3.92Å; L24-Y30 HydrophobicContact CG-CE2 3.84Å; V28-Y30 HydrophobicContact CB-CE2 4.47Å; V28-Y30 HydrophobicContact CG1-CD2 4.3Å; V28-Y30 HydrophobicContact CG1-CE2 3.73Å; Y30-T48 HydrophobicContact CD1-CG2 3.76Å; Y30-T48 HydrophobicContact CG-CG2 4.47Å; Y30-E49 CarbonylContact C-O 3.54Å; Y30-E49 WeakPolarHBondContact CA-O 3.02Å; Y30-E50 HydrophobicContact CD1-CB 4.1Å; Y30-E50 HydrophobicContact CE1-CB 3.73Å; Y30-E50 HydrophobicContact CE1-CG 4.01Å; Y30-E50 PolarHBondContact OH-OE1 3.29Å; Y30-Y60 HydrophobicContact CE1-CD2 4.11Å; Y30-Y60 AromaticContact CE1-CE2 3.82Å; Y30-Y60 HydrophobicContact CE1-CE2 3.82Å; Y30-I65 HydrophobicContact CD2-CD1 4Å; Y30-I65 HydrophobicContact CG-CD1 3.86Å |
| 31 | R | 98 | Very high | 96.7 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.4 | 177 | -52 | -172.3 | -172.7 | 163 | 0.2 | 108.3 | V20 V21 T48 E49 Y51 | V20-R31 WeakPolarHBondContact O-CA 3.22Å; V21-R31 HydrophobicContact CG1-CG 4.33Å; V21-R31 HydrophobicContact CG2-CG 4.11Å; R31-T48 CarbonylContact O-C 3.6Å; R31-T48 VanDerWaalsContact O-CA 3.32Å; R31-T48 WeakPolarHBondContact O-CA 3.32Å; R31-E49 PolarHBondContact N-O 3.01Å; R31-E49 PolarHBondContact O-N 3.23Å; R31-Y51 HydrophobicContact CB-CD2 4.41Å; R31-Y51 HydrophobicContact CB-CE2 4.16Å; R31-Y51 VanDerWaalsContact CD-CE2 3.44Å; R31-Y51 HydrophobicContact CG-CD2 3.76Å; R31-Y51 HydrophobicContact CG-CE2 3.84Å; R31-Y51 VanDerWaalsContact NH1-CE1 3.29Å |
| 32 | G | 97.8 | Very high | 96.7 | Very high | 8 Ų | 8 | 49.6 Ų | 49.6 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | -179.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | P19 V20 E46 | P19-G32 CarbonylContact C-O 3.55Å; P19-G32 WeakPolarHBondContact CA-O 3.43Å; V20-G32 PolarHBondContact N-O 2.84Å; V20-G32 PolarHBondContact O-N 2.78Å; G32-E46 CarbonylContact C-O 3.6Å; G32-E46 VanDerWaalsContact CA-O 3.29Å; G32-E46 WeakPolarHBondContact CA-O 3.45Å |
| 33 | V | 97.8 | Very high | 96.7 | Very high | 25 Ų | 25 | 49.6 Ų | 49.6 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 125.8 | 172.7 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | A35 L45 E46 | V33-A35 PolarHBondContact O-N 3.25Å; V33-A35 VanDerWaalsContact O-N 3.13Å; V33-L45 CarbonylContact O-C 3.5Å; V33-L45 WeakPolarHBondContact O-CA 3.41Å; V33-E46 HydrophobicContact CB-CB 4.31Å; V33-E46 PolarHBondContact N-O 3.28Å; V33-E46 PolarHBondContact O-N 2.95Å |
| 34 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 105.4 | 178.1 | 177.2 | 61.8 | 0 | 0 | 0 | 110.7 | I15 I16 G17 R18 V20 C36 L37 I43 I73 | I15-L34 HydrophobicContact CB-CD2 4.19Å; I15-L34 HydrophobicContact CD1-CD2 3.6Å; I15-L34 HydrophobicContact CG1-CD2 3.51Å; I16-L34 HydrophobicContact CG1-CD2 4.27Å; G17-L34 WeakPolarHBondContact CA-O 3.32Å; G17-L34 PolarHBondContact N-O 2.8Å; R18-L34 PolarHBondContact O-N 2.67Å; V20-L34 HydrophobicContact CG1-CB 4.07Å; V20-L34 HydrophobicContact CG1-CD2 4.47Å; V20-L34 HydrophobicContact CG2-CB 3.91Å; L34-C36 WeakPolarHBondContact CD1-O 3.38Å; L34-L37 HydrophobicContact CD1-CD2 4.19Å; L34-L37 HydrophobicContact CD2-CD2 3.76Å; L34-L37 HydrophobicContact CG-CD2 4.46Å; L34-I43 HydrophobicContact CD1-CG2 3.59Å; L34-I73 HydrophobicContact CD1-CD1 4.49Å; L34-I73 HydrophobicContact CD2-CD1 4.11Å |
| 35 | A | 97.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 30% | 0.298 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -52.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V33 A44 E46 | V33-A35 PolarHBondContact O-N 3.25Å; V33-A35 VanDerWaalsContact O-N 3.13Å; A35-A44 HydrophobicContact CB-CB 4.14Å; A35-A44 PolarHBondContact N-O 2.99Å; A35-E46 HydrophobicContact CB-CG 4.15Å |
| 36 | C | 95.8 | Very high | 96.7 | Very high | 71 Ų | 71 | 47.5 Ų | 47.5 | 48% | 0.48 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 167.3 | 176.3 | 67.1 | 0 | 0 | 0 | 0 | 112.1 | L34 A44 | L34-C36 WeakPolarHBondContact CD1-O 3.38Å; C36-A44 PolarHBondContact O-N 2.78Å; C36-A44 VanDerWaalsContact SG-CB 3.54Å |
| 37 | L | 94.8 | Very high | 96.8 | Very high | 42 Ų | 42 | 50.2 Ų | 50.2 | 22% | 0.22 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 162.1 | 170.1 | 67.4 | 100.1 | 0 | 0 | 0 | 111.1 | L12 L34 M41 N42 I43 | L12-L37 HydrophobicContact CB-CD1 4.4Å; L12-L37 HydrophobicContact CB-CD2 4.17Å; L12-L37 HydrophobicContact CD1-CD1 3.86Å; L12-L37 HydrophobicContact CD2-CD1 4.25Å; L12-L37 HydrophobicContact CD2-CD2 3.77Å; L12-L37 HydrophobicContact CG-CD1 4.38Å; L12-L37 HydrophobicContact CG-CD2 4.4Å; L34-L37 HydrophobicContact CD1-CD2 4.19Å; L34-L37 HydrophobicContact CD2-CD2 3.76Å; L34-L37 HydrophobicContact CG-CD2 4.46Å; L37-M41 HydrophobicContact CD1-SD 4.43Å; L37-N42 WeakPolarHBondContact CA-O 3.46Å; L37-N42 WeakPolarHBondContact CB-O 3.34Å; L37-I43 HydrophobicContact CB-CG1 4.27Å |
| 38 | D | 92.8 | Very high | 96.8 | Very high | 63 Ų | 63 | 48.5 Ų | 48.5 | 34% | 0.337 | 27% | 0.266 | S | S | . | . | trans | -116.1 | -179.5 | 177.5 | 71.5 | 13.1 | 0 | 0 | 0 | 113.5 | Y40 M41 N42 | D38-Y40 PolarHBondContact O-N 3.18Å; D38-Y40 WeakPolarHBondContact OD1-CA 3.14Å; D38-Y40 WeakPolarHBondContact OD1-CB 3.42Å; D38-Y40 PolarHBondContact OD1-N 3.05Å; D38-M41 PolarHBondContact O-N 2.79Å; D38-M41 PolarHBondContact OD1-N 2.87Å; D38-N42 PolarHBondContact N-O 2.91Å; D38-N42 PolarHBondContact OD1-N 2.89Å; D38-N42 WeakPolarHBondContact OD2-CB 3.47Å; D38-N42 PolarHBondContact OD2-ND2 3.34Å | ||
| 39 | G | 91 | Very high | 96.8 | Very high | 82 Ų | 82 | 49.5 Ų | 49.5 | 85% | 0.845 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -9.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 40 | Y | 94.4 | Very high | 96.8 | Very high | 193 Ų | 193 | 49.6 Ų | 49.6 | 76% | 0.757 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 6.2 | 174.4 | -58.8 | -73.5 | 0 | 0 | 0 | 112.3 | D38 N42 G67 | D38-Y40 PolarHBondContact O-N 3.18Å; D38-Y40 WeakPolarHBondContact OD1-CA 3.14Å; D38-Y40 WeakPolarHBondContact OD1-CB 3.42Å; D38-Y40 PolarHBondContact OD1-N 3.05Å; Y40-N42 PolarHBondContact O-N 2.87Å; Y40-G67 WeakPolarHBondContact O-CA 3.35Å |
| 41 | M | 93.9 | Very high | 96.8 | Very high | 57 Ų | 57 | 49.4 Ų | 49.4 | 28% | 0.281 | 27% | 0.268 | S | S | . | . | trans | 61.5 | 25.9 | -175.6 | -59.2 | -70.1 | -65.8 | 0 | 0 | 113.3 | L12 L37 D38 I43 G67 I73 | L12-M41 HydrophobicContact CD1-SD 4.21Å; L12-M41 HydrophobicContact CD2-CE 4.27Å; L12-M41 HydrophobicContact CD2-SD 4.38Å; L37-M41 HydrophobicContact CD1-SD 4.43Å; D38-M41 PolarHBondContact O-N 2.79Å; D38-M41 PolarHBondContact OD1-N 2.87Å; M41-I43 WeakPolarHBondContact O-CG1 3.38Å; M41-G67 WeakPolarHBondContact O-CA 3.34Å; M41-I73 HydrophobicContact CE-CG2 3.97Å | ||
| 42 | N | 96.9 | Very high | 96.8 | Very high | 34 Ų | 34 | 49 Ų | 49 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | trans | -66.6 | 137.4 | 161.6 | -61.1 | -54 | 0 | 0 | 0 | 108.3 | L37 D38 Y40 F64 I65 R66 G67 | L37-N42 WeakPolarHBondContact CA-O 3.46Å; L37-N42 WeakPolarHBondContact CB-O 3.34Å; D38-N42 PolarHBondContact N-O 2.91Å; D38-N42 PolarHBondContact OD1-N 2.89Å; D38-N42 WeakPolarHBondContact OD2-CB 3.47Å; D38-N42 PolarHBondContact OD2-ND2 3.34Å; Y40-N42 PolarHBondContact O-N 2.87Å; N42-F64 HydrophobicContact CB-CE2 3.96Å; N42-F64 HydrophobicContact CB-CZ 3.61Å; N42-I65 WeakPolarHBondContact CA-O 3.03Å; N42-R66 WeakPolarHBondContact OD1-CA 2.97Å; N42-G67 PolarHBondContact OD1-N 3.35Å | ||
| 43 | I | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 129.7 | -169.2 | -64.1 | 162 | 0 | 0 | 0 | 109.3 | V22 L34 L37 M41 L45 F64 I65 V70 I73 | V22-I43 HydrophobicContact CG1-CD1 3.81Å; V22-I43 HydrophobicContact CG2-CD1 3.94Å; L34-I43 HydrophobicContact CD1-CG2 3.59Å; L37-I43 HydrophobicContact CB-CG1 4.27Å; M41-I43 WeakPolarHBondContact O-CG1 3.38Å; I43-L45 HydrophobicContact CG2-CD2 3.96Å; I43-L45 HydrophobicContact CG2-CG 3.83Å; I43-F64 WeakPolarHBondContact O-CA 3.49Å; I43-I65 HydrophobicContact CB-CB 4.37Å; I43-I65 PolarHBondContact N-O 3.11Å; I43-I65 PolarHBondContact O-N 2.89Å; I43-V70 HydrophobicContact CD1-CG1 4.38Å; I43-V70 HydrophobicContact CD1-CG2 3.93Å; I43-I73 HydrophobicContact CD1-CD1 4.41Å |
| 44 | A | 98.2 | Very high | 96.6 | Very high | 24 Ų | 24 | 57.3 Ų | 57.3 | 20% | 0.198 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | A35 C36 | A35-A44 HydrophobicContact CB-CB 4.14Å; A35-A44 PolarHBondContact N-O 2.99Å; C36-A44 PolarHBondContact O-N 2.78Å; C36-A44 VanDerWaalsContact SG-CB 3.54Å |
| 45 | L | 98.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.8 | 174.3 | -70.3 | 176.7 | 0 | 0 | 0 | 110.1 | V20 V22 V33 I43 T48 D62 A63 I65 | V20-L45 HydrophobicContact CG2-CD2 3.6Å; V22-L45 HydrophobicContact CG2-CD1 4.1Å; V22-L45 HydrophobicContact CG2-CD2 4.43Å; V33-L45 CarbonylContact O-C 3.5Å; V33-L45 WeakPolarHBondContact O-CA 3.41Å; I43-L45 HydrophobicContact CG2-CD2 3.96Å; I43-L45 HydrophobicContact CG2-CG 3.83Å; L45-T48 HydrophobicContact CB-CG2 4.39Å; L45-T48 WeakPolarHBondContact CB-OG1 3.44Å; L45-T48 HydrophobicContact CD1-CG2 4.1Å; L45-T48 PolarHBondContact O-OG1 3.33Å; L45-D62 CarbonylContact O-C 3.58Å; L45-D62 WeakPolarHBondContact O-CA 3.39Å; L45-A63 PolarHBondContact N-O 3.37Å; L45-A63 PolarHBondContact O-N 2.88Å; L45-I65 HydrophobicContact CD1-CD1 3.7Å |
| 46 | E | 98.5 | Very high | 96.6 | Very high | 90 Ų | 90 | 66.7 Ų | 66.7 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 157.8 | 165.9 | -67.2 | 169.6 | -166.8 | 0 | 0 | 109.6 | G32 V33 A35 T48 G61 | G32-E46 CarbonylContact C-O 3.6Å; G32-E46 VanDerWaalsContact CA-O 3.29Å; G32-E46 WeakPolarHBondContact CA-O 3.45Å; V33-E46 HydrophobicContact CB-CB 4.31Å; V33-E46 PolarHBondContact N-O 3.28Å; V33-E46 PolarHBondContact O-N 2.95Å; A35-E46 HydrophobicContact CB-CG 4.15Å; E46-T48 PolarHBondContact O-N 3.16Å; E46-G61 CarbonylContact C-O 3.57Å |
| 47 | Q | 97.7 | Very high | 96.8 | Very high | 144 Ų | 144 | 70.5 Ų | 70.5 | 67% | 0.673 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.7 | 38.6 | 177.8 | -56 | 179.3 | -20.1 | 0 | 0 | 113.1 | E49 G61 | Q47-E49 PolarHBondContact O-N 3.16Å; Q47-G61 PolarHBondContact N-O 3.13Å; Q47-G61 VanDerWaalsContact N-O 3.07Å |
| 48 | T | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.006 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 127.9 | -168.9 | -53 | 0 | 0 | 0 | 0 | 111.9 | Y30 R31 L45 E46 K59 Y60 G61 A63 | Y30-T48 HydrophobicContact CD1-CG2 3.76Å; Y30-T48 HydrophobicContact CG-CG2 4.47Å; R31-T48 CarbonylContact O-C 3.6Å; R31-T48 VanDerWaalsContact O-CA 3.32Å; R31-T48 WeakPolarHBondContact O-CA 3.32Å; L45-T48 HydrophobicContact CB-CG2 4.39Å; L45-T48 WeakPolarHBondContact CB-OG1 3.44Å; L45-T48 HydrophobicContact CD1-CG2 4.1Å; L45-T48 PolarHBondContact O-OG1 3.33Å; E46-T48 PolarHBondContact O-N 3.16Å; T48-K59 WeakPolarHBondContact O-CA 3.35Å; T48-Y60 PolarHBondContact O-N 2.97Å; T48-G61 VanDerWaalsContact CB-O 3.25Å; T48-G61 WeakPolarHBondContact CB-O 3.49Å; T48-G61 PolarHBondContact N-O 3.17Å; T48-G61 PolarHBondContact OG1-O 3.36Å; T48-A63 HydrophobicContact CG2-CB 3.82Å; T48-A63 WeakPolarHBondContact OG1-CB 3.16Å |
| 49 | E | 98.5 | Very high | 97.2 | Very high | 44 Ų | 44 | 75.2 Ų | 75.2 | 21% | 0.206 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 137.9 | 172.8 | -64.1 | -171.3 | 154.1 | 0 | 0 | 110.1 | Y30 R31 Q47 Y51 L56 N58 K59 | Y30-E49 CarbonylContact C-O 3.54Å; Y30-E49 WeakPolarHBondContact CA-O 3.02Å; R31-E49 PolarHBondContact N-O 3.01Å; R31-E49 PolarHBondContact O-N 3.23Å; Q47-E49 PolarHBondContact O-N 3.16Å; E49-Y51 HydrophobicContact CB-CD2 4.21Å; E49-Y51 HydrophobicContact CB-CE2 3.56Å; E49-Y51 WeakPolarHBondContact OE2-CE2 3.13Å; E49-Y51 PolarHBondContact OE2-OH 3.12Å; E49-L56 HydrophobicContact CB-CD1 3.77Å; E49-L56 HydrophobicContact CG-CD1 4.11Å; E49-N58 WeakPolarHBondContact CA-O 3.41Å; E49-K59 HydrophobicContact CG-CD 4.4Å; E49-K59 HydrophobicContact CG-CG 4.22Å; E49-K59 WeakPolarHBondContact OE1-CE 3.29Å; E49-K59 IonicContact OE1-NZ 2.74Å; E49-K59 PolarHBondContact OE1-NZ 3.18Å |
| 50 | E | 98.5 | Very high | 97.5 | Very high | 24 Ų | 24 | 76.5 Ų | 76.5 | 11% | 0.112 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.6 | 175.2 | 172.1 | -178.8 | -105.2 | 0 | 0 | 110.7 | V28 Y30 V52 K57 N58 Y60 | V28-E50 HydrophobicContact CG1-CG 3.77Å; Y30-E50 HydrophobicContact CD1-CB 4.1Å; Y30-E50 HydrophobicContact CE1-CB 3.73Å; Y30-E50 HydrophobicContact CE1-CG 4.01Å; Y30-E50 PolarHBondContact OH-OE1 3.29Å; E50-V52 HydrophobicContact CG-CG2 4.3Å; E50-K57 HydrophobicContact CG-CB 4.46Å; E50-K57 PolarHBondContact O-N 3.06Å; E50-N58 HydrophobicContact CB-CB 4.28Å; E50-N58 PolarHBondContact N-O 2.61Å; E50-N58 PolarHBondContact O-N 2.97Å; E50-Y60 HydrophobicContact CB-CD2 4.39Å; E50-Y60 HydrophobicContact CB-CE2 3.73Å; E50-Y60 HydrophobicContact CG-CE2 4.49Å; E50-Y60 PolarHBondContact OE2-OH 3.1Å |
| 51 | Y | 98.5 | Very high | 97.6 | Very high | 34 Ų | 34 | 68.9 Ų | 68.9 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 122.7 | 177.4 | -70.9 | -103.1 | 0 | 0 | 0 | 110.1 | D29 R31 E49 Q55 L56 | D29-Y51 PolarHBondContact N-O 3.27Å; D29-Y51 PolarHBondContact O-N 3.31Å; R31-Y51 HydrophobicContact CB-CD2 4.41Å; R31-Y51 HydrophobicContact CB-CE2 4.16Å; R31-Y51 VanDerWaalsContact CD-CE2 3.44Å; R31-Y51 HydrophobicContact CG-CD2 3.76Å; R31-Y51 HydrophobicContact CG-CE2 3.84Å; R31-Y51 VanDerWaalsContact NH1-CE1 3.29Å; E49-Y51 HydrophobicContact CB-CD2 4.21Å; E49-Y51 HydrophobicContact CB-CE2 3.56Å; E49-Y51 WeakPolarHBondContact OE2-CE2 3.13Å; E49-Y51 PolarHBondContact OE2-OH 3.12Å; Y51-Q55 CarbonylContact C-O 3.52Å; Y51-Q55 VanDerWaalsContact CA-O 3.22Å; Y51-Q55 WeakPolarHBondContact CA-O 3.31Å; Y51-L56 HydrophobicContact CD1-CB 4.33Å; Y51-L56 HydrophobicContact CE1-CB 3.92Å; Y51-L56 HydrophobicContact CE2-CD1 4.02Å |
| 52 | V | 98.2 | Very high | 97.8 | Very high | 55 Ų | 55 | 72.4 Ų | 72.4 | 33% | 0.333 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.7 | 174 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | V28 E50 G54 Q55 K57 | V28-V52 HydrophobicContact CG1-CG2 4.38Å; V28-V52 HydrophobicContact CG2-CG2 4.3Å; E50-V52 HydrophobicContact CG-CG2 4.3Å; V52-G54 PolarHBondContact O-N 3.36Å; V52-Q55 PolarHBondContact N-O 2.87Å; V52-Q55 PolarHBondContact O-N 3.48Å; V52-K57 HydrophobicContact CG2-CB 4.04Å; V52-K57 HydrophobicContact CG2-CG 4.33Å |
| 53 | N | 96.1 | Very high | 97.9 | Very high | 157 Ų | 157 | 72 Ų | 72 | 84% | 0.84 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 38 | -175.2 | -58.2 | -33.5 | 0 | 0 | 0 | 113.1 | Q55 | N53-Q55 PolarHBondContact O-N 2.95Š|
| 54 | G | 95 | Very high | 97.8 | Very high | 49 Ų | 49 | 79 Ų | 79 | 51% | 0.505 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | -1.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V52 | V52-G54 PolarHBondContact O-N 3.36Š|
| 55 | Q | 97.9 | Very high | 97.8 | Very high | 149 Ų | 149 | 78.5 Ų | 78.5 | 70% | 0.696 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.3 | 176.2 | -64.3 | -170.6 | -7.9 | 0 | 0 | 111.1 | Y51 V52 N53 K57 | Y51-Q55 CarbonylContact C-O 3.52Å; Y51-Q55 VanDerWaalsContact CA-O 3.22Å; Y51-Q55 WeakPolarHBondContact CA-O 3.31Å; V52-Q55 PolarHBondContact N-O 2.87Å; V52-Q55 PolarHBondContact O-N 3.48Å; N53-Q55 PolarHBondContact O-N 2.95Å; Q55-K57 PolarHBondContact O-N 3.17Å |
| 56 | L | 98 | Very high | 97.8 | Very high | 84 Ų | 84 | 86.3 Ų | 86.3 | 44% | 0.44 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 120 | 173.4 | 176.6 | 67.3 | 0 | 0 | 0 | 109 | E49 Y51 K59 | E49-L56 HydrophobicContact CB-CD1 3.77Å; E49-L56 HydrophobicContact CG-CD1 4.11Å; Y51-L56 HydrophobicContact CD1-CB 4.33Å; Y51-L56 HydrophobicContact CE1-CB 3.92Å; Y51-L56 HydrophobicContact CE2-CD1 4.02Å; L56-K59 HydrophobicContact CD1-CG 4.42Å |
| 57 | K | 98.3 | Very high | 97.8 | Very high | 152 Ų | 152 | 82.3 Ų | 82.3 | 66% | 0.661 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -38.4 | -179.3 | -171.2 | 52.1 | 175.3 | 173.5 | 0 | 112.8 | E50 V52 Q55 | E50-K57 HydrophobicContact CG-CB 4.46Å; E50-K57 PolarHBondContact O-N 3.06Å; V52-K57 HydrophobicContact CG2-CB 4.04Å; V52-K57 HydrophobicContact CG2-CG 4.33Å; Q55-K57 PolarHBondContact O-N 3.17Å |
| 58 | N | 98.2 | Very high | 97.7 | Very high | 73 Ų | 73 | 80.1 Ų | 80.1 | 39% | 0.39 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 163.2 | -177.8 | -146.5 | -7.8 | 0 | 0 | 0 | 112.8 | E49 E50 Y60 | E49-N58 WeakPolarHBondContact CA-O 3.41Å; E50-N58 HydrophobicContact CB-CB 4.28Å; E50-N58 PolarHBondContact N-O 2.61Å; E50-N58 PolarHBondContact O-N 2.97Å; N58-Y60 HydrophobicContact CB-CE1 4.48Å; N58-Y60 HydrophobicContact CB-CE2 3.93Å; N58-Y60 WeakPolarHBondContact ND2-CE1 3.22Å; N58-Y60 PolarHBondContact ND2-OH 3.02Å; N58-Y60 VanDerWaalsContact ND2-OH 3.12Å |
| 59 | K | 98.4 | Very high | 97.7 | Very high | 130 Ų | 130 | 83.5 Ų | 83.5 | 57% | 0.565 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.1 | 171.1 | -56.3 | -161.6 | -176.5 | -144.7 | 0 | 109.2 | T48 E49 L56 | T48-K59 WeakPolarHBondContact O-CA 3.35Å; E49-K59 HydrophobicContact CG-CD 4.4Å; E49-K59 HydrophobicContact CG-CG 4.22Å; E49-K59 WeakPolarHBondContact OE1-CE 3.29Å; E49-K59 IonicContact OE1-NZ 2.74Å; E49-K59 PolarHBondContact OE1-NZ 3.18Å; L56-K59 HydrophobicContact CD1-CG 4.42Å |
| 60 | Y | 97.6 | Very high | 97.6 | Very high | 110 Ų | 110 | 82.6 Ų | 82.6 | 43% | 0.431 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -18.9 | -175.5 | -64.3 | -70.3 | 0 | 0 | 0 | 113.5 | Y30 T48 E50 N58 D62 | Y30-Y60 HydrophobicContact CE1-CD2 4.11Å; Y30-Y60 AromaticContact CE1-CE2 3.82Å; Y30-Y60 HydrophobicContact CE1-CE2 3.82Å; T48-Y60 PolarHBondContact O-N 2.97Å; E50-Y60 HydrophobicContact CB-CD2 4.39Å; E50-Y60 HydrophobicContact CB-CE2 3.73Å; E50-Y60 HydrophobicContact CG-CE2 4.49Å; E50-Y60 PolarHBondContact OE2-OH 3.1Å; N58-Y60 HydrophobicContact CB-CE1 4.48Å; N58-Y60 HydrophobicContact CB-CE2 3.93Å; N58-Y60 WeakPolarHBondContact ND2-CE1 3.22Å; N58-Y60 PolarHBondContact ND2-OH 3.02Å; N58-Y60 VanDerWaalsContact ND2-OH 3.12Å; Y60-D62 PolarHBondContact O-N 2.82Å |
| 61 | G | 97 | Very high | 97.6 | Very high | 32 Ų | 32 | 86.2 Ų | 86.2 | 33% | 0.33 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.4 | -113 | -169.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | E46 Q47 T48 | E46-G61 CarbonylContact C-O 3.57Å; Q47-G61 PolarHBondContact N-O 3.13Å; Q47-G61 VanDerWaalsContact N-O 3.07Å; T48-G61 VanDerWaalsContact CB-O 3.25Å; T48-G61 WeakPolarHBondContact CB-O 3.49Å; T48-G61 PolarHBondContact N-O 3.17Å; T48-G61 PolarHBondContact OG1-O 3.36Å |
| 62 | D | 97.7 | Very high | 97.5 | Very high | 132 Ų | 132 | 89.5 Ų | 89.5 | 71% | 0.706 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 127.8 | 177.7 | -60.6 | -13.5 | 0 | 0 | 0 | 110.2 | L45 Y60 | L45-D62 CarbonylContact O-C 3.58Å; L45-D62 WeakPolarHBondContact O-CA 3.39Å; Y60-D62 PolarHBondContact O-N 2.82Å |
| 63 | A | 97.9 | Very high | 97.4 | Very high | 24 Ų | 24 | 88 Ų | 88 | 20% | 0.198 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 144.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L45 T48 | L45-A63 PolarHBondContact N-O 3.37Å; L45-A63 PolarHBondContact O-N 2.88Å; T48-A63 HydrophobicContact CG2-CB 3.82Å; T48-A63 WeakPolarHBondContact OG1-CB 3.16Å |
| 64 | F | 97.8 | Very high | 97.4 | Very high | 148 Ų | 148 | 82.3 Ų | 82.3 | 65% | 0.649 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.3 | 172.3 | -177 | -99.6 | 0 | 0 | 0 | 110.1 | N42 I43 | N42-F64 HydrophobicContact CB-CE2 3.96Å; N42-F64 HydrophobicContact CB-CZ 3.61Å; I43-F64 WeakPolarHBondContact O-CA 3.49Å |
| 65 | I | 98 | Very high | 97.4 | Very high | 14 Ų | 14 | 83.6 Ų | 83.6 | 7% | 0.072 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.8 | -180 | -61.2 | 175.7 | 0 | 0 | 0 | 108.9 | V22 L24 Y30 N42 I43 L45 V70 | V22-I65 HydrophobicContact CB-CD1 4.3Å; V22-I65 HydrophobicContact CG1-CD1 4.1Å; L24-I65 HydrophobicContact CD2-CG2 3.76Å; Y30-I65 HydrophobicContact CD2-CD1 4Å; Y30-I65 HydrophobicContact CG-CD1 3.86Å; N42-I65 WeakPolarHBondContact CA-O 3.03Å; I43-I65 HydrophobicContact CB-CB 4.37Å; I43-I65 PolarHBondContact N-O 3.11Å; I43-I65 PolarHBondContact O-N 2.89Å; L45-I65 HydrophobicContact CD1-CD1 3.7Å; I65-V70 HydrophobicContact CG2-CG2 3.83Å |
| 66 | R | 98 | Very high | 96.9 | Very high | 166 Ų | 166 | 80.4 Ų | 80.4 | 63% | 0.626 | 40% | 0.398 | S | S | * | . | trans | -75.3 | 127.4 | 175.6 | -163.8 | -174.8 | 169.1 | 157.9 | -1.4 | 111 | N42 N68 N69 | N42-R66 WeakPolarHBondContact OD1-CA 2.97Å; R66-N68 WeakPolarHBondContact CD-OD1 3.25Å; R66-N68 WeakPolarHBondContact CG-OD1 3.4Å; R66-N68 PolarHBondContact NE-OD1 3.18Å; R66-N68 PolarHBondContact O-N 3.42Å; R66-N69 PolarHBondContact O-N 2.87Å; R66-N69 VanDerWaalsContact O-N 3.13Å | ||
| 67 | G | 97.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 85.8 Ų | 85.8 | 7% | 0.072 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -65.1 | -29.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y40 M41 N42 N69 V70 | Y40-G67 WeakPolarHBondContact O-CA 3.35Å; M41-G67 WeakPolarHBondContact O-CA 3.34Å; N42-G67 PolarHBondContact OD1-N 3.35Å; G67-N69 PolarHBondContact O-N 2.97Å; G67-N69 VanDerWaalsContact O-N 3.1Å; G67-V70 WeakPolarHBondContact O-CB 3.39Å; G67-V70 PolarHBondContact O-N 2.68Å |
| 68 | N | 97.3 | Very high | 94.4 | Very high | 98 Ų | 98 | 89.8 Ų | 89.8 | 52% | 0.524 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -67.9 | -10.6 | 177.4 | 70.3 | -82.6 | 0 | 0 | 0 | 113.8 | N25 R66 | N25-N68 PolarHBondContact ND2-O 3.42Å; R66-N68 WeakPolarHBondContact CD-OD1 3.25Å; R66-N68 WeakPolarHBondContact CG-OD1 3.4Å; R66-N68 PolarHBondContact NE-OD1 3.18Å; R66-N68 PolarHBondContact O-N 3.42Å |
| 69 | N | 97.2 | Very high | 92.7 | Very high | 72 Ų | 72 | 98.3 Ų | 98.3 | 39% | 0.385 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -94.6 | -9.2 | 174.5 | -63.7 | -46.3 | 0 | 0 | 0 | 112.7 | L24 N25 R66 G67 | L24-N69 CarbonylContact C-O 3.52Å; L24-N69 VanDerWaalsContact CA-O 3.25Å; L24-N69 WeakPolarHBondContact CA-O 3.34Å; L24-N69 HydrophobicContact CD2-CB 4.47Å; N25-N69 PolarHBondContact N-O 3.1Å; N25-N69 PolarHBondContact ND2-O 3.39Å; R66-N69 PolarHBondContact O-N 2.87Å; R66-N69 VanDerWaalsContact O-N 3.13Å; G67-N69 PolarHBondContact O-N 2.97Å; G67-N69 VanDerWaalsContact O-N 3.1Å |
| 70 | V | 97.6 | Very high | 90.2 | Very high | 24 Ų | 24 | 104.2 Ų | 104.2 | 15% | 0.145 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 125.9 | -175.3 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | V22 L24 I43 I65 G67 | V22-V70 HydrophobicContact CG1-CG1 3.96Å; V22-V70 HydrophobicContact CG1-CG2 4Å; L24-V70 HydrophobicContact CD2-CG2 4.34Å; I43-V70 HydrophobicContact CD1-CG1 4.38Å; I43-V70 HydrophobicContact CD1-CG2 3.93Å; I65-V70 HydrophobicContact CG2-CG2 3.83Å; G67-V70 WeakPolarHBondContact O-CB 3.39Å; G67-V70 PolarHBondContact O-N 2.68Å |
| 71 | L | 97.7 | Very high | 89.8 | Confident | 101 Ų | 101 | 104 Ų | 104 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -49.3 | 172.3 | -179.7 | 62.5 | 0 | 0 | 0 | 110.8 | K23 | K23-L71 HydrophobicContact CD-CD2 4.04Å; K23-L71 HydrophobicContact CG-CD2 4.28Å; K23-L71 WeakPolarHBondContact O-CB 3.41Å; K23-L71 PolarHBondContact O-N 3.09Å |
| 72 | Y | 96.3 | Very high | 89.5 | Confident | 103 Ų | 103 | 107.7 Ų | 107.7 | 40% | 0.404 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 163.2 | 172.1 | 66.5 | -108.6 | 0 | 0 | 0 | 112.2 | K23 | K23-Y72 HydrophobicContact CB-CD1 4.09Å; K23-Y72 HydrophobicContact CB-CD2 4.19Å; K23-Y72 HydrophobicContact CB-CE1 3.75Å; K23-Y72 HydrophobicContact CB-CE2 3.81Å; K23-Y72 HydrophobicContact CB-CG 4.31Å; K23-Y72 HydrophobicContact CD-CD1 4.43Å; K23-Y72 HydrophobicContact CD-CE1 3.59Å; K23-Y72 WeakPolarHBondContact CE-OH 3.47Å; K23-Y72 HydrophobicContact CG-CE1 4.18Å; K23-Y72 PolarHBondContact N-O 3.29Å; K23-Y72 PolarHBondContact O-N 3.07Å |
| 73 | I | 96.3 | Very high | 89 | Confident | 22 Ų | 22 | 106.4 Ų | 106.4 | 11% | 0.113 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 138.8 | 165.1 | -175.3 | 163.4 | 0 | 0 | 0 | 109.5 | F11 L12 I15 V20 V21 V22 L34 M41 I43 | F11-I73 HydrophobicContact CE1-CG2 4.24Å; L12-I73 HydrophobicContact CD2-CG2 4.32Å; I15-I73 HydrophobicContact CD1-CD1 3.53Å; I15-I73 HydrophobicContact CD1-CG1 3.89Å; I15-I73 HydrophobicContact CD1-CG2 4.41Å; V20-I73 HydrophobicContact CB-CD1 4.23Å; V20-I73 HydrophobicContact CB-CG1 4.16Å; V20-I73 HydrophobicContact CG1-CD1 4.28Å; V20-I73 HydrophobicContact CG1-CG1 4.41Å; V20-I73 HydrophobicContact CG2-CD1 4.17Å; V21-I73 CarbonylContact O-C 3.57Å; V21-I73 WeakPolarHBondContact O-CA 3.42Å; V22-I73 HydrophobicContact CG2-CD1 4.14Å; V22-I73 HydrophobicContact CG2-CG1 4.21Å; L34-I73 HydrophobicContact CD1-CD1 4.49Å; L34-I73 HydrophobicContact CD2-CD1 4.11Å; M41-I73 HydrophobicContact CE-CG2 3.97Å; I43-I73 HydrophobicContact CD1-CD1 4.41Å |
| 74 | S | 95.8 | Very high | 88.5 | Confident | 39 Ų | 39 | 111.2 Ų | 111.2 | 27% | 0.273 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 154.6 | 176.3 | 65.2 | 0 | 0 | 0 | 0 | 111.4 | V20 V21 | V20-S74 CarbonylContact C-O 3.56Å; V20-S74 VanDerWaalsContact CA-O 3.32Å; V20-S74 WeakPolarHBondContact CA-O 3.1Å; V20-S74 WeakPolarHBondContact CB-O 3.35Å; V21-S74 PolarHBondContact N-O 3.38Å; V21-S74 PolarHBondContact O-N 3.19Å |
| 75 | T | 94.7 | Very high | 87.9 | Confident | 76 Ų | 76 | 108.9 Ų | 108.9 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 136.4 | 171.2 | 54.1 | 0 | 0 | 0 | 0 | 109.9 | F11 I15 K77 | F11-T75 HydrophobicContact CE2-CG2 4.18Å; F11-T75 HydrophobicContact CZ-CG2 4.41Å; I15-T75 HydrophobicContact CG2-CG2 3.6Å; T75-K77 PolarHBondContact O-N 3.39Å |
| 76 | Q | 87.7 | Confident | 87.2 | Confident | 82 Ų | 82 | 115.3 Ų | 115.3 | 38% | 0.383 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 124.7 | 172.4 | -161.4 | 177.1 | 41 | 0 | 0 | 109.3 | P19 V21 R78 | P19-Q76 HydrophobicContact CB-CB 4.06Å; P19-Q76 VanDerWaalsContact CB-OE1 3.31Å; P19-Q76 PolarHBondContact O-N 3.13Å; P19-Q76 VanDerWaalsContact O-N 3.15Å; V21-Q76 HydrophobicContact CG2-CB 4.38Å; V21-Q76 HydrophobicContact CG2-CG 4.27Å; Q76-R78 PolarHBondContact O-N 2.92Å; Q76-R78 VanDerWaalsContact O-N 3.16Å |
| 77 | K | 77.9 | Confident | 86.4 | Confident | 196 Ų | 196 | 111.6 Ų | 111.6 | 85% | 0.852 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 122.1 | 174.1 | -87.4 | -174.5 | 176.2 | 179.3 | 0 | 108.6 | T75 R79 | T75-K77 PolarHBondContact O-N 3.39Å; K77-R79 PolarHBondContact O-N 3.33Å; K77-R79 VanDerWaalsContact O-N 3.13Å |
| 78 | R | 65.3 | Low | 85.6 | Confident | 237 Ų | 237 | 119.7 Ų | 119.7 | 89% | 0.894 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -58 | 119 | 165.8 | -77 | 177.3 | 89.7 | 177.5 | 6.1 | 107 | Q76 M80 | Q76-R78 PolarHBondContact O-N 2.92Å; Q76-R78 VanDerWaalsContact O-N 3.16Å; R78-M80 PolarHBondContact O-N 2.96Å; R78-M80 VanDerWaalsContact O-N 3.16Å |
| 79 | R | 64 | Low | 84.6 | Confident | 251 Ų | 251 | 121.5 Ų | 121.5 | 95% | 0.947 | 55% | 0.554 | S | S | * | * | trans | -66.1 | 109 | 158.6 | -87.9 | 179.5 | 147.6 | 167.7 | -7 | 105.9 | K77 | K77-R79 PolarHBondContact O-N 3.33Å; K77-R79 VanDerWaalsContact O-N 3.13Å | ||
| 80 | M | 45.2 | Very low | 83.5 | Confident | 255 Ų | 255 | 126 Ų | 126 | 100% | 1.256 | 57% | 0.569 | S | S | * | * | trans | -73.3 | 0 | 159.5 | -77.5 | -169.3 | 173.4 | 0 | 0 | 109 | R78 | R78-M80 PolarHBondContact O-N 2.96Å; R78-M80 VanDerWaalsContact O-N 3.16Å |
Retrieved 80 of 80 residues in 18.6 ms
(Link to these results)