| 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 | 88.7 | Confident | 96.6 | Very high | 154 Ų | 154 | 62.7 Ų | 62.7 | 76% | 0.759 | 34% | 0.342 | S | S | * | . | 0 | 129.6 | 0 | -175.4 | -178.2 | -72.7 | 0 | 0 | 108.7 | L3 K67 I68 S69 | M1-L3 HydrophobicContact CG-CD2 3.79Å; M1-L3 HydrophobicContact CG-CG 4.35Å; M1-L3 HydrophobicContact SD-CD2 3.57Å; M1-L3 VanDerWaalsContact SD-CD2 3.57Å; M1-K67 PolarHBondContact N-O 2.87Å; M1-I68 CarbonylContact O-C 3.47Å; M1-S69 PolarHBondContact O-N 3.11Å; M1-S69 PolarHBondContact O-OG 3.18Å | |||
| 2 | L | 95.5 | Very high | 96.7 | Very high | 119 Ų | 119 | 57.5 Ų | 57.5 | 62% | 0.623 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124.1 | 173.7 | -175.7 | 64.4 | 0 | 0 | 0 | 108.8 | S69 V71 | L2-S69 CarbonylContact C-O 3.55Å; L2-S69 WeakPolarHBondContact CA-O 3.31Å; L2-V71 HydrophobicContact CD1-CG2 4.1Å |
| 3 | L | 97.7 | Very high | 96.8 | Very high | 30 Ų | 30 | 59.5 Ų | 59.5 | 16% | 0.157 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 160.6 | -174.7 | -60.8 | 175.7 | 0 | 0 | 0 | 109.6 | M1 T7 F8 I68 S69 T70 | M1-L3 HydrophobicContact CG-CD2 3.79Å; M1-L3 HydrophobicContact CG-CG 4.35Å; M1-L3 HydrophobicContact SD-CD2 3.57Å; M1-L3 VanDerWaalsContact SD-CD2 3.57Å; L3-T7 HydrophobicContact CD1-CG2 4.26Å; L3-T7 HydrophobicContact CD2-CG2 4.07Å; L3-F8 HydrophobicContact CB-CB 4.25Å; L3-I68 HydrophobicContact CD1-CB 3.91Å; L3-I68 HydrophobicContact CD1-CG2 3.9Å; L3-S69 PolarHBondContact N-O 3.48Å; L3-T70 PolarHBondContact O-OG1 2.87Å |
| 4 | D | 97.3 | Very high | 96.7 | Very high | 88 Ų | 88 | 64.6 Ų | 64.6 | 47% | 0.471 | 34% | 0.337 | S | S | . | . | trans | -70.2 | 167.9 | 162.9 | 69 | 87.2 | 0 | 0 | 0 | 111.3 | D6 T7 F8 | D4-D6 PolarHBondContact O-N 3Å; D4-D6 PolarHBondContact OD1-N 3.27Å; D4-T7 VanDerWaalsContact CG-OG1 3.27Å; D4-T7 PolarHBondContact OD1-N 3.43Å; D4-T7 PolarHBondContact OD1-OG1 3.4Å; D4-T7 WeakPolarHBondContact OD2-CB 3.43Å; D4-T7 PolarHBondContact OD2-OG1 3.42Å; D4-F8 VanDerWaalsContact O-CB 3.23Å; D4-F8 WeakPolarHBondContact O-CB 3.41Å; D4-F8 PolarHBondContact O-N 3.05Å | ||
| 5 | N | 97.5 | Very high | 96.7 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | -173.5 | -73.8 | -22 | 0 | 0 | 0 | 113.7 | L9 T70 V71 F80 | N5-L9 WeakPolarHBondContact O-CG 3.4Å; N5-L9 PolarHBondContact O-N 3.36Å; N5-L9 VanDerWaalsContact O-N 3.17Å; N5-T70 PolarHBondContact OD1-OG1 3.49Å; N5-V71 PolarHBondContact OD1-O 2.76Å; N5-F80 HydrophobicContact CB-CD2 3.95Å; N5-F80 HydrophobicContact CB-CE2 4.36Å |
| 6 | D | 97.1 | Very high | 96.8 | Very high | 85 Ų | 85 | 57.8 Ų | 57.8 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72.8 | -44.6 | -176.8 | -71 | -35.9 | 0 | 0 | 0 | 109.7 | D4 F8 L9 T10 R79 | D4-D6 PolarHBondContact O-N 3Å; D4-D6 PolarHBondContact OD1-N 3.27Å; D6-F8 VanDerWaalsContact C-N 3.31Å; D6-F8 PolarHBondContact O-N 3.02Å; D6-L9 PolarHBondContact O-N 3.18Å; D6-T10 PolarHBondContact O-N 2.98Å; D6-T10 PolarHBondContact O-OG1 3.45Å; D6-R79 IonicContact OD1-NH2 3.68Å; D6-R79 IonicContact OD2-NH2 3.09Å; D6-R79 PolarHBondContact OD2-NH2 3.31Å |
| 7 | T | 97.8 | Very high | 96.7 | Very high | 57 Ų | 57 | 58.8 Ų | 58.8 | 35% | 0.35 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.3 | -36.2 | 175.7 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | L3 D4 S11 | L3-T7 HydrophobicContact CD1-CG2 4.26Å; L3-T7 HydrophobicContact CD2-CG2 4.07Å; D4-T7 VanDerWaalsContact CG-OG1 3.27Å; D4-T7 PolarHBondContact OD1-N 3.43Å; D4-T7 PolarHBondContact OD1-OG1 3.4Å; D4-T7 WeakPolarHBondContact OD2-CB 3.43Å; D4-T7 PolarHBondContact OD2-OG1 3.42Å; T7-S11 VanDerWaalsContact O-CB 3.28Å; T7-S11 WeakPolarHBondContact O-CB 3.46Å; T7-S11 PolarHBondContact O-N 3.02Å; T7-S11 PolarHBondContact O-OG 3.09Å |
| 8 | F | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 174.2 | 175.8 | -93 | 0 | 0 | 0 | 111.5 | L3 D4 D6 S11 L12 L59 A61 I68 T70 F80 | L3-F8 HydrophobicContact CB-CB 4.25Å; D4-F8 VanDerWaalsContact O-CB 3.23Å; D4-F8 WeakPolarHBondContact O-CB 3.41Å; D4-F8 PolarHBondContact O-N 3.05Å; D6-F8 VanDerWaalsContact C-N 3.31Å; D6-F8 PolarHBondContact O-N 3.02Å; F8-S11 PolarHBondContact O-N 3.33Å; F8-L12 HydrophobicContact CE1-CD2 3.98Å; F8-L12 HydrophobicContact CZ-CD2 4.44Å; F8-L12 WeakPolarHBondContact O-CB 3.44Å; F8-L12 PolarHBondContact O-N 2.72Å; F8-L59 HydrophobicContact CE1-CB 4.34Å; F8-L59 HydrophobicContact CE1-CD2 4.31Å; F8-L59 HydrophobicContact CZ-CB 3.98Å; F8-A61 HydrophobicContact CE2-CB 4.44Å; F8-A61 HydrophobicContact CZ-CB 4.38Å; F8-I68 HydrophobicContact CD2-CB 4.41Å; F8-I68 HydrophobicContact CD2-CD1 3.98Å; F8-I68 HydrophobicContact CD2-CG1 4.1Å; F8-I68 HydrophobicContact CE2-CD1 3.97Å; F8-I68 HydrophobicContact CE2-CG1 3.87Å; F8-T70 HydrophobicContact CB-CG2 3.88Å; F8-T70 HydrophobicContact CD1-CG2 3.54Å; F8-T70 HydrophobicContact CD2-CG2 3.74Å; F8-T70 HydrophobicContact CE1-CG2 3.96Å; F8-T70 HydrophobicContact CE2-CG2 4.14Å; F8-T70 HydrophobicContact CG-CG2 3.42Å; F8-T70 VanDerWaalsContact CG-CG2 3.42Å; F8-T70 HydrophobicContact CZ-CG2 4.24Å; F8-F80 HydrophobicContact CD1-CE2 4.08Å; F8-F80 AromaticContact CD1-CZ 3.98Å; F8-F80 HydrophobicContact CD1-CZ 3.98Å; F8-F80 HydrophobicContact CE1-CZ 4.05Å |
| 9 | L | 98 | Very high | 96.5 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 179.3 | -69.8 | 168.1 | 0 | 0 | 0 | 111.6 | N5 D6 S11 L12 H13 F80 A83 Y84 L87 | N5-L9 WeakPolarHBondContact O-CG 3.4Å; N5-L9 PolarHBondContact O-N 3.36Å; N5-L9 VanDerWaalsContact O-N 3.17Å; D6-L9 PolarHBondContact O-N 3.18Å; L9-S11 PolarHBondContact O-N 3.18Å; L9-L12 PolarHBondContact O-N 2.9Å; L9-H13 PolarHBondContact O-N 3.36Å; L9-F80 HydrophobicContact CD1-CD2 4.19Å; L9-F80 HydrophobicContact CD1-CE2 4.2Å; L9-F80 HydrophobicContact CD2-CE2 3.99Å; L9-F80 HydrophobicContact CD2-CZ 4.13Å; L9-F80 HydrophobicContact CG-CD2 4.44Å; L9-F80 HydrophobicContact CG-CE2 3.95Å; L9-A83 HydrophobicContact CD1-CB 3.63Å; L9-Y84 HydrophobicContact CD2-CD2 4.21Å; L9-L87 HydrophobicContact CB-CD1 4.36Å; L9-L87 HydrophobicContact CD2-CD1 4.19Å; L9-L87 VanDerWaalsContact O-CD1 3.27Å; L9-L87 WeakPolarHBondContact O-CD1 3.32Å |
| 10 | T | 97.7 | Very high | 96.4 | Very high | 81 Ų | 81 | 61.2 Ų | 61.2 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 174.7 | -56 | 0 | 0 | 0 | 0 | 112 | D6 H13 K14 | D6-T10 PolarHBondContact O-N 2.98Å; D6-T10 PolarHBondContact O-OG1 3.45Å; T10-H13 PolarHBondContact O-N 3.08Å; T10-K14 PolarHBondContact O-N 2.94Å |
| 11 | S | 97.5 | Very high | 96.1 | Very high | 29 Ų | 29 | 63.6 Ų | 63.6 | 20% | 0.203 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 178.2 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | T7 F8 L9 H13 K14 L15 | T7-S11 VanDerWaalsContact O-CB 3.28Å; T7-S11 WeakPolarHBondContact O-CB 3.46Å; T7-S11 PolarHBondContact O-N 3.02Å; T7-S11 PolarHBondContact O-OG 3.09Å; F8-S11 PolarHBondContact O-N 3.33Å; L9-S11 PolarHBondContact O-N 3.18Å; S11-H13 VanDerWaalsContact C-N 3.34Å; S11-H13 PolarHBondContact O-N 3.28Å; S11-K14 WeakPolarHBondContact O-CB 3.49Å; S11-K14 PolarHBondContact O-N 3.09Å; S11-L15 WeakPolarHBondContact O-CG 3.38Å; S11-L15 PolarHBondContact O-N 3.47Å |
| 12 | L | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 176.1 | -178.8 | 62.4 | 0 | 0 | 0 | 111.3 | F8 L9 K14 L15 F16 L25 I27 A61 I68 Y84 L87 | F8-L12 HydrophobicContact CE1-CD2 3.98Å; F8-L12 HydrophobicContact CZ-CD2 4.44Å; F8-L12 WeakPolarHBondContact O-CB 3.44Å; F8-L12 PolarHBondContact O-N 2.72Å; L9-L12 PolarHBondContact O-N 2.9Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-K14 PolarHBondContact O-N 3.35Å; L12-L15 WeakPolarHBondContact O-CB 3.42Å; L12-L15 PolarHBondContact O-N 3.28Å; L12-F16 HydrophobicContact CD1-CD2 4.2Å; L12-F16 HydrophobicContact CD1-CE2 3.92Å; L12-F16 HydrophobicContact CD2-CE2 4.2Å; L12-F16 HydrophobicContact CG-CD2 3.98Å; L12-F16 HydrophobicContact CG-CE2 3.8Å; L12-F16 WeakPolarHBondContact O-CD2 3.46Å; L12-F16 PolarHBondContact O-N 2.84Å; L12-L25 HydrophobicContact CD1-CD2 4.07Å; L12-I27 HydrophobicContact CD1-CD1 3.98Å; L12-I27 HydrophobicContact CD1-CG1 4.36Å; L12-I27 HydrophobicContact CD2-CD1 4.5Å; L12-A61 HydrophobicContact CD1-CB 3.68Å; L12-I68 HydrophobicContact CB-CD1 4.26Å; L12-Y84 HydrophobicContact CD2-CD2 4.03Å; L12-Y84 HydrophobicContact CD2-CE2 3.78Å; L12-L87 HydrophobicContact CB-CD1 4.4Å; L12-L87 HydrophobicContact CD2-CD1 4.32Å; L12-L87 HydrophobicContact CD2-CD2 3.86Å; L12-L87 HydrophobicContact CG-CD1 4.44Å; L12-L87 HydrophobicContact CG-CD2 3.98Å |
| 13 | H | 97 | Very high | 96.2 | Very high | 83 Ų | 83 | 57.5 Ų | 57.5 | 38% | 0.384 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 173.5 | -179.8 | -111.1 | 0 | 0 | 0 | 112.1 | L9 T10 S11 L15 F16 N17 L87 | L9-H13 PolarHBondContact O-N 3.36Å; T10-H13 PolarHBondContact O-N 3.08Å; S11-H13 VanDerWaalsContact C-N 3.34Å; S11-H13 PolarHBondContact O-N 3.28Å; H13-L15 VanDerWaalsContact C-N 3.34Å; H13-L15 PolarHBondContact O-N 2.87Å; H13-F16 PolarHBondContact O-N 2.89Å; H13-N17 PolarHBondContact CE1-ND2 3.32Å; H13-N17 VanDerWaalsContact CE1-ND2 3.28Å; H13-N17 PolarHBondContact O-N 3.07Å; H13-N17 VanDerWaalsContact O-N 3.08Å; H13-N17 PolarHBondContact O-ND2 3.16Å; H13-L87 HydrophobicContact CB-CD1 4.1Å |
| 14 | K | 96.3 | Very high | 96.1 | Very high | 131 Ų | 131 | 59.6 Ų | 59.6 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60 | -43 | 174 | -67.4 | 176.7 | -178.8 | 179 | 0 | 111.9 | T10 S11 L12 N17 Q18 | T10-K14 PolarHBondContact O-N 2.94Å; S11-K14 WeakPolarHBondContact O-CB 3.49Å; S11-K14 PolarHBondContact O-N 3.09Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-K14 PolarHBondContact O-N 3.35Å; K14-N17 PolarHBondContact O-N 3.19Å; K14-Q18 WeakPolarHBondContact O-CG 3.37Å; K14-Q18 PolarHBondContact O-N 3.19Å |
| 15 | L | 97 | Very high | 96.1 | Very high | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 176.7 | -67.6 | -179.9 | 0 | 0 | 0 | 112.5 | S11 L12 H13 Q18 S19 L25 A61 L63 Q66 I68 | S11-L15 WeakPolarHBondContact O-CG 3.38Å; S11-L15 PolarHBondContact O-N 3.47Å; L12-L15 WeakPolarHBondContact O-CB 3.42Å; L12-L15 PolarHBondContact O-N 3.28Å; H13-L15 VanDerWaalsContact C-N 3.34Å; H13-L15 PolarHBondContact O-N 2.87Å; L15-Q18 PolarHBondContact O-N 3.5Å; L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.26Å; L15-S19 PolarHBondContact O-OG 2.81Å; L15-L25 HydrophobicContact CB-CD1 3.93Å; L15-L25 HydrophobicContact CB-CD2 4.4Å; L15-L25 HydrophobicContact CD1-CD1 4.05Å; L15-A61 HydrophobicContact CD1-CB 4.21Å; L15-L63 HydrophobicContact CD2-CB 4.08Å; L15-L63 HydrophobicContact CD2-CD2 4.23Å; L15-Q66 HydrophobicContact CD2-CB 4.03Å; L15-I68 HydrophobicContact CD1-CD1 3.63Å; L15-I68 HydrophobicContact CD1-CG1 3.84Å |
| 16 | F | 97.1 | Very high | 96.1 | Very high | 15 Ų | 15 | 63 Ų | 63 | 7% | 0.066 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 173.7 | -89.4 | -70.6 | 0 | 0 | 0 | 111.3 | L12 H13 Q18 S19 K20 L25 I27 L87 L88 N91 I92 | L12-F16 HydrophobicContact CD1-CD2 4.2Å; L12-F16 HydrophobicContact CD1-CE2 3.92Å; L12-F16 HydrophobicContact CD2-CE2 4.2Å; L12-F16 HydrophobicContact CG-CD2 3.98Å; L12-F16 HydrophobicContact CG-CE2 3.8Å; L12-F16 WeakPolarHBondContact O-CD2 3.46Å; L12-F16 PolarHBondContact O-N 2.84Å; H13-F16 PolarHBondContact O-N 2.89Å; F16-Q18 VanDerWaalsContact C-N 3.31Å; F16-Q18 PolarHBondContact O-N 2.83Å; F16-S19 WeakPolarHBondContact CA-OG 3.33Å; F16-S19 PolarHBondContact O-N 3.2Å; F16-S19 VanDerWaalsContact O-N 3.09Å; F16-S19 PolarHBondContact O-OG 3.33Å; F16-K20 PolarHBondContact O-N 2.92Å; F16-L25 HydrophobicContact CD1-CD2 3.68Å; F16-L25 HydrophobicContact CD2-CD2 3.8Å; F16-L25 HydrophobicContact CE1-CD2 3.68Å; F16-L25 HydrophobicContact CE2-CD2 3.78Å; F16-L25 HydrophobicContact CG-CD2 3.75Å; F16-L25 HydrophobicContact CZ-CD2 3.72Å; F16-I27 HydrophobicContact CE2-CD1 4.1Å; F16-I27 HydrophobicContact CZ-CD1 3.83Å; F16-L87 HydrophobicContact CD2-CD2 3.49Å; F16-L87 VanDerWaalsContact CD2-CD2 3.49Å; F16-L87 HydrophobicContact CE2-CD2 3.33Å; F16-L87 HydrophobicContact CZ-CD2 4.42Å; F16-L88 HydrophobicContact CE2-CD2 4Å; F16-L88 HydrophobicContact CZ-CD2 3.66Å; F16-N91 HydrophobicContact CB-CB 3.75Å; F16-N91 WeakPolarHBondContact CB-OD1 3.22Å; F16-N91 HydrophobicContact CD1-CB 3.5Å; F16-N91 HydrophobicContact CD2-CB 3.99Å; F16-N91 HydrophobicContact CE1-CB 4.03Å; F16-N91 HydrophobicContact CE2-CB 4.47Å; F16-N91 HydrophobicContact CG-CB 3.48Å; F16-N91 VanDerWaalsContact CG-CB 3.48Å; F16-N91 HydrophobicContact CZ-CB 4.48Å; F16-I92 HydrophobicContact CE1-CG1 4Å; F16-I92 HydrophobicContact CZ-CG1 4.42Å |
| 17 | N | 95 | Very high | 96.1 | Very high | 74 Ų | 74 | 61.6 Ų | 61.6 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.7 | -39.6 | 178.1 | -71.5 | -28.6 | 0 | 0 | 0 | 112.7 | H13 K14 K20 | H13-N17 PolarHBondContact CE1-ND2 3.32Å; H13-N17 VanDerWaalsContact CE1-ND2 3.28Å; H13-N17 PolarHBondContact O-N 3.07Å; H13-N17 VanDerWaalsContact O-N 3.08Å; H13-N17 PolarHBondContact O-ND2 3.16Å; K14-N17 PolarHBondContact O-N 3.19Å; N17-K20 PolarHBondContact O-N 2.83Å |
| 18 | Q | 95.4 | Very high | 96.1 | Very high | 88 Ų | 88 | 61.5 Ų | 61.5 | 41% | 0.411 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 174.2 | -71.8 | 176.1 | -18 | 0 | 0 | 112.2 | K14 L15 F16 K20 S21 L63 | K14-Q18 WeakPolarHBondContact O-CG 3.37Å; K14-Q18 PolarHBondContact O-N 3.19Å; L15-Q18 PolarHBondContact O-N 3.5Å; F16-Q18 VanDerWaalsContact C-N 3.31Å; F16-Q18 PolarHBondContact O-N 2.83Å; Q18-K20 PolarHBondContact O-N 3.45Å; Q18-S21 PolarHBondContact O-N 2.95Å; Q18-S21 PolarHBondContact O-OG 3.48Å; Q18-L63 HydrophobicContact CB-CD2 3.71Å |
| 19 | S | 95.4 | Very high | 96 | Very high | 27 Ų | 27 | 67.8 Ų | 67.8 | 19% | 0.189 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.9 | -15.8 | 179.4 | 69.8 | 0 | 0 | 0 | 0 | 114.3 | L15 F16 S21 | L15-S19 WeakPolarHBondContact O-CB 3.49Å; L15-S19 PolarHBondContact O-N 3.26Å; L15-S19 PolarHBondContact O-OG 2.81Å; F16-S19 WeakPolarHBondContact CA-OG 3.33Å; F16-S19 PolarHBondContact O-N 3.2Å; F16-S19 VanDerWaalsContact O-N 3.09Å; F16-S19 PolarHBondContact O-OG 3.33Å; S19-S21 VanDerWaalsContact C-N 3.28Å; S19-S21 PolarHBondContact O-N 3.17Å |
| 20 | K | 93.7 | Very high | 95.8 | Very high | 110 Ų | 110 | 73 Ų | 73 | 48% | 0.478 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -29.1 | 176.6 | -73.1 | -174.1 | 178.9 | -163.9 | 0 | 112.7 | F16 N17 Q18 D93 | F16-K20 PolarHBondContact O-N 2.92Å; N17-K20 PolarHBondContact O-N 2.83Å; Q18-K20 PolarHBondContact O-N 3.45Å; K20-D93 IonicContact NZ-OD1 3.32Å; K20-D93 IonicContact NZ-OD2 3.87Å; K20-D93 PolarHBondContact NZ-OD2 2.83Å; K20-D93 VanDerWaalsContact NZ-OD2 3.09Å |
| 21 | S | 90.6 | Very high | 95.6 | Very high | 112 Ų | 112 | 75.9 Ų | 75.9 | 78% | 0.783 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -44.7 | 176.9 | 61.4 | 0 | 0 | 0 | 0 | 112.1 | Q18 S19 | Q18-S21 PolarHBondContact O-N 2.95Å; Q18-S21 PolarHBondContact O-OG 3.48Å; S19-S21 VanDerWaalsContact C-N 3.28Å; S19-S21 PolarHBondContact O-N 3.17Å |
| 22 | S | 91.2 | Very high | 95.3 | Very high | 95 Ų | 95 | 76.7 Ų | 76.7 | 66% | 0.664 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -164.5 | 154 | 178.4 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 23 | G | 94.2 | Very high | 94.8 | Very high | 49 Ų | 49 | 78.8 Ų | 78.8 | 51% | 0.505 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 95.1 | 166.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 24 | S | 95.8 | Very high | 94.2 | Very high | 74 Ų | 74 | 76.5 Ų | 76.5 | 52% | 0.517 | 41% | 0.406 | S | S | . | . | trans | -111 | 124.9 | 179.1 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | Y26 | S24-Y26 WeakPolarHBondContact O-CD2 3.2Š| ||
| 25 | L | 96.9 | Very high | 93.7 | Very high | 34 Ų | 34 | 74.8 Ų | 74.8 | 18% | 0.178 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 117.8 | 172.7 | -179.3 | 62.3 | 0 | 0 | 0 | 109.5 | L12 L15 F16 I27 A61 L63 | L12-L25 HydrophobicContact CD1-CD2 4.07Å; L15-L25 HydrophobicContact CB-CD1 3.93Å; L15-L25 HydrophobicContact CB-CD2 4.4Å; L15-L25 HydrophobicContact CD1-CD1 4.05Å; F16-L25 HydrophobicContact CD1-CD2 3.68Å; F16-L25 HydrophobicContact CD2-CD2 3.8Å; F16-L25 HydrophobicContact CE1-CD2 3.68Å; F16-L25 HydrophobicContact CE2-CD2 3.78Å; F16-L25 HydrophobicContact CG-CD2 3.75Å; F16-L25 HydrophobicContact CZ-CD2 3.72Å; L25-I27 HydrophobicContact CD2-CD1 4.3Å; L25-I27 HydrophobicContact CD2-CG1 4.48Å; L25-I27 HydrophobicContact CG-CG1 4.21Å; L25-A61 HydrophobicContact CD1-CB 4.35Å; L25-L63 HydrophobicContact CD1-CB 4.18Å |
| 26 | Y | 97.6 | Very high | 93.2 | Very high | 156 Ų | 156 | 80.5 Ų | 80.5 | 61% | 0.612 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 128.7 | 174.5 | -63.2 | -88.7 | 0 | 0 | 0 | 109.7 | S24 A61 T62 | S24-Y26 WeakPolarHBondContact O-CD2 3.2Å; Y26-A61 CarbonylContact O-C 3.57Å; Y26-A61 VanDerWaalsContact O-CA 3.22Å; Y26-A61 WeakPolarHBondContact O-CA 3.28Å; Y26-T62 PolarHBondContact N-O 2.79Å; Y26-T62 PolarHBondContact O-N 2.89Å |
| 27 | I | 97.7 | Very high | 92.7 | Very high | 54 Ų | 54 | 87.9 Ų | 87.9 | 28% | 0.277 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.7 | 174 | -53.6 | 173.9 | 0 | 0 | 0 | 108.2 | L12 F16 L25 R60 A61 L88 | L12-I27 HydrophobicContact CD1-CD1 3.98Å; L12-I27 HydrophobicContact CD1-CG1 4.36Å; L12-I27 HydrophobicContact CD2-CD1 4.5Å; F16-I27 HydrophobicContact CE2-CD1 4.1Å; F16-I27 HydrophobicContact CZ-CD1 3.83Å; L25-I27 HydrophobicContact CD2-CD1 4.3Å; L25-I27 HydrophobicContact CD2-CG1 4.48Å; L25-I27 HydrophobicContact CG-CG1 4.21Å; I27-R60 CarbonylContact C-O 3.56Å; I27-R60 WeakPolarHBondContact CA-O 3.44Å; I27-A61 HydrophobicContact CG1-CB 4.29Å; I27-L88 HydrophobicContact CD1-CD2 4.12Å |
| 28 | T | 98 | Very high | 92.3 | Very high | 55 Ų | 55 | 90 Ų | 90 | 34% | 0.337 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 140.7 | 175.8 | 68.3 | 0 | 0 | 0 | 0 | 110.2 | L59 R60 | T28-L59 CarbonylContact O-C 3.57Å; T28-L59 WeakPolarHBondContact O-CA 3.46Å; T28-R60 PolarHBondContact N-O 3.48Å; T28-R60 PolarHBondContact O-N 3Å; T28-R60 PolarHBondContact OG1-NE 2.61Å; T28-R60 PolarHBondContact OG1-NH2 3.21Å; T28-R60 VanDerWaalsContact OG1-NH2 3.13Å |
| 29 | M | 96 | Very high | 91.5 | Very high | 132 Ų | 132 | 89.7 Ų | 89.7 | 65% | 0.65 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 126.8 | 174.8 | -177.4 | 176.8 | 72.3 | 0 | 0 | 108.2 | C57 L58 L59 | M29-C57 HydrophobicContact CG-CB 4.23Å; M29-L58 WeakPolarHBondContact CA-O 3.49Å; M29-L59 HydrophobicContact CB-CD1 4.41Å; M29-L59 HydrophobicContact CB-CG 4.21Å; M29-L59 HydrophobicContact CG-CD1 3.75Å; M29-L59 HydrophobicContact CG-CG 4.09Å; M29-L59 HydrophobicContact SD-CD1 4.17Å |
| 30 | K | 94.7 | Very high | 90.9 | Very high | 129 Ų | 129 | 92.4 Ų | 92.4 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135 | 152.2 | 177.7 | -65.9 | -168.1 | 174.5 | -166.9 | 0 | 110 | Y32 C57 L58 | K30-Y32 PolarHBondContact O-N 3.04Å; K30-C57 CarbonylContact O-C 3.5Å; K30-C57 VanDerWaalsContact O-CA 3.27Å; K30-C57 WeakPolarHBondContact O-CA 3.23Å; K30-C57 WeakPolarHBondContact O-CB 3.33Å; K30-L58 PolarHBondContact N-O 3.41Å; K30-L58 PolarHBondContact O-N 3.48Å |
| 31 | R | 92.8 | Very high | 90.3 | Very high | 140 Ų | 140 | 95.9 Ų | 95.9 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 133.1 | 167 | -176.9 | 179.2 | 170.2 | 83.9 | 4.3 | 108.7 | T52 N55 | R31-T52 PolarHBondContact NH2-O 3.35Å; R31-N55 PolarHBondContact NH1-OD1 2.98Å |
| 32 | Y | 91.7 | Very high | 89.3 | Confident | 47 Ų | 47 | 102.5 Ų | 102.5 | 18% | 0.184 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 135.4 | 174.9 | -174.1 | -123.5 | 0 | 0 | 0 | 109.2 | K30 S56 L58 V71 | K30-Y32 PolarHBondContact O-N 3.04Å; Y32-S56 PolarHBondContact N-O 3.17Å; Y32-S56 PolarHBondContact O-OG 3.19Å; Y32-L58 HydrophobicContact CD2-CB 4.18Å; Y32-L58 HydrophobicContact CD2-CD2 4.43Å; Y32-L58 HydrophobicContact CG-CB 4.27Å; Y32-V71 HydrophobicContact CD1-CB 4.31Å; Y32-V71 HydrophobicContact CD1-CG1 3.5Å; Y32-V71 HydrophobicContact CD1-CG2 3.75Å; Y32-V71 HydrophobicContact CE1-CB 4.49Å; Y32-V71 HydrophobicContact CE1-CG1 3.95Å; Y32-V71 HydrophobicContact CE1-CG2 3.73Å; Y32-V71 HydrophobicContact CG-CG1 4.35Å; Y32-V71 HydrophobicContact CG-CG2 4.22Å |
| 33 | D | 86 | Confident | 87.8 | Confident | 44 Ų | 44 | 101.7 Ų | 101.7 | 24% | 0.235 | 52% | 0.516 | C | S | . | . | trans | -112.4 | 15.3 | -174.8 | 57.5 | 4.5 | 0 | 0 | 0 | 112 | R35 T52 | D33-R35 HydrophobicContact CB-CG 4.47Å; D33-R35 PolarHBondContact O-N 3.25Å; D33-R35 VanDerWaalsContact O-N 3.15Å; D33-R35 WeakPolarHBondContact OD1-CB 3.27Å; D33-R35 WeakPolarHBondContact OD1-CG 3.35Å; D33-R35 PolarHBondContact OD1-N 3.13Å; D33-R35 VanDerWaalsContact OD2-CD 3.23Å; D33-R35 WeakPolarHBondContact OD2-CD 3.36Å; D33-R35 IonicContact OD2-CZ 3.31Å; D33-R35 IonicContact OD2-NE 2.98Å; D33-R35 PolarHBondContact OD2-NE 3.19Å; D33-R35 IonicContact OD2-NH1 2.85Å; D33-R35 IonicContact OD2-NH2 3.54Å; D33-R35 PolarHBondContact OD2-NH2 2.82Å; D33-T52 WeakPolarHBondContact O-CG2 3.28Å | ||
| 34 | G | 86 | Confident | 86 | Confident | 34 Ų | 34 | 107.3 Ų | 107.3 | 35% | 0.351 | 53% | 0.529 | S | S | . | . | trans | 72.2 | 0.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V36 | G34-V36 PolarHBondContact O-N 3.26Š| ||
| 35 | R | 84.6 | Confident | 84 | Confident | 95 Ų | 95 | 113.5 Ų | 113.5 | 36% | 0.358 | 55% | 0.546 | S | S | . | . | trans | -71.2 | 121.9 | -174.3 | -65.2 | -179.3 | -159.6 | 157.6 | 25.1 | 111.5 | D33 | D33-R35 HydrophobicContact CB-CG 4.47Å; D33-R35 PolarHBondContact O-N 3.25Å; D33-R35 VanDerWaalsContact O-N 3.15Å; D33-R35 WeakPolarHBondContact OD1-CB 3.27Å; D33-R35 WeakPolarHBondContact OD1-CG 3.35Å; D33-R35 PolarHBondContact OD1-N 3.13Å; D33-R35 VanDerWaalsContact OD2-CD 3.23Å; D33-R35 WeakPolarHBondContact OD2-CD 3.36Å; D33-R35 IonicContact OD2-CZ 3.31Å; D33-R35 IonicContact OD2-NE 2.98Å; D33-R35 PolarHBondContact OD2-NE 3.19Å; D33-R35 IonicContact OD2-NH1 2.85Å; D33-R35 IonicContact OD2-NH2 3.54Å; D33-R35 PolarHBondContact OD2-NH2 2.82Å | ||
| 36 | V | 86.3 | Confident | 82.1 | Confident | 126 Ų | 126 | 115.9 Ų | 115.9 | 76% | 0.764 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -103.8 | -6.1 | 170.9 | -63.1 | 0 | 0 | 0 | 0 | 113.1 | G34 | G34-V36 PolarHBondContact O-N 3.26Š|
| 37 | K | 86.6 | Confident | 80.1 | Confident | 170 Ų | 170 | 118 Ų | 118 | 74% | 0.739 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -134.9 | 150.5 | -179.8 | -71.4 | 177.5 | -175.3 | 178 | 0 | 110.2 | ||
| 38 | P | 86.1 | Confident | 77.9 | Confident | 119 Ų | 119 | 121.9 Ų | 121.9 | 77% | 0.773 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 151.5 | 176.1 | 27.8 | -34.9 | 0 | 0 | 0 | 111.5 | P40 | P38-P40 WeakPolarHBondContact O-CD 3.1Š|
| 39 | V | 80.1 | Confident | 75.9 | Confident | 81 Ų | 81 | 122.4 Ų | 122.4 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -75.5 | 123.4 | 174 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | V49 | V39-V49 HydrophobicContact CG2-CG1 4.4Š|
| 40 | P | 82.8 | Confident | 74 | Confident | 85 Ų | 85 | 122.6 Ų | 122.6 | 55% | 0.552 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 135.6 | 180 | -23.3 | 33.6 | 0 | 0 | 0 | 113 | P38 R42 V43 | P38-P40 WeakPolarHBondContact O-CD 3.1Å; P40-R42 VanDerWaalsContact C-N 3.25Å; P40-R42 PolarHBondContact O-N 3.46Å; P40-V43 HydrophobicContact CB-CG2 4.26Å; P40-V43 PolarHBondContact O-N 3.48Å |
| 41 | K | 80.1 | Confident | 72.1 | Confident | 183 Ų | 183 | 121.7 Ų | 121.7 | 80% | 0.796 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -60.5 | -28.2 | -177.9 | -68.1 | -176 | 178.9 | -179.7 | 0 | 114.2 | Q44 | K41-Q44 WeakPolarHBondContact O-CG 3.34Š|
| 42 | R | 69.6 | Low | 70.6 | Confident | 251 Ų | 251 | 117 Ų | 117 | 95% | 0.947 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -83.4 | -9 | -173.3 | -69.3 | -174.7 | 178.2 | -179.7 | -0.2 | 114.7 | P40 | P40-R42 VanDerWaalsContact C-N 3.25Å; P40-R42 PolarHBondContact O-N 3.46Å |
| 43 | V | 59.5 | Low | 69.6 | Low | 78 Ų | 78 | 122.2 Ų | 122.2 | 47% | 0.473 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -105 | 17.5 | -173.9 | -164.5 | 0 | 0 | 0 | 0 | 112.1 | P40 K45 V46 | P40-V43 HydrophobicContact CB-CG2 4.26Å; P40-V43 PolarHBondContact O-N 3.48Å; V43-K45 PolarHBondContact O-N 3.1Å; V43-V46 HydrophobicContact CG1-CB 4.12Å; V43-V46 HydrophobicContact CG1-CG2 3.65Å; V43-V46 PolarHBondContact O-N 2.87Å |
| 44 | Q | 57 | Low | 69.3 | Low | 166 Ų | 166 | 126 Ų | 126 | 78% | 0.776 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -2.7 | -175.5 | -76.8 | 174.4 | -7.7 | 0 | 0 | 115.6 | K41 | K41-Q44 WeakPolarHBondContact O-CG 3.34Š|
| 45 | K | 55 | Low | 69.3 | Low | 205 Ų | 205 | 128.5 Ų | 128.5 | 89% | 0.891 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -9.4 | 173.5 | -71.3 | -169 | 179.4 | -176.8 | 0 | 115.5 | V43 K47 | V43-K45 PolarHBondContact O-N 3.1Å; K45-K47 PolarHBondContact O-N 2.92Å |
| 46 | V | 55.7 | Low | 69.7 | Low | 84 Ų | 84 | 124.4 Ų | 124.4 | 51% | 0.509 | 63% | 0.628 | S | S | . | * | trans | -90.2 | 100 | 175.5 | -172.1 | 0 | 0 | 0 | 0 | 108.2 | V43 D48 | V43-V46 HydrophobicContact CG1-CB 4.12Å; V43-V46 HydrophobicContact CG1-CG2 3.65Å; V43-V46 PolarHBondContact O-N 2.87Å; V46-D48 HydrophobicContact CG1-CB 4.2Å; V46-D48 PolarHBondContact O-N 2.94Å | ||
| 47 | K | 55.1 | Low | 70.1 | Confident | 199 Ų | 199 | 119.1 Ų | 119.1 | 87% | 0.865 | 60% | 0.597 | S | S | * | * | trans | -65.1 | 2.6 | 178.8 | -74.9 | -177.8 | 176.3 | 179 | 0 | 114.3 | K45 V49 | K45-K47 PolarHBondContact O-N 2.92Å; K47-V49 VanDerWaalsContact C-N 3.32Å; K47-V49 PolarHBondContact O-N 2.81Å | ||
| 48 | D | 52.6 | Low | 70.6 | Confident | 137 Ų | 137 | 112.7 Ų | 112.7 | 73% | 0.733 | 57% | 0.57 | S | S | * | * | trans | -93.2 | 65.3 | 174.6 | -65.2 | -45.2 | 0 | 0 | 0 | 111 | V46 H50 | V46-D48 HydrophobicContact CG1-CB 4.2Å; V46-D48 PolarHBondContact O-N 2.94Å; D48-H50 PolarHBondContact O-N 3.28Å | ||
| 49 | V | 56.2 | Low | 71.1 | Confident | 66 Ų | 66 | 107.1 Ų | 107.1 | 40% | 0.4 | 53% | 0.534 | S | S | . | . | trans | -76 | 73.3 | 177.6 | -163.2 | 0 | 0 | 0 | 0 | 109.4 | V39 K47 V51 | V39-V49 HydrophobicContact CG2-CG1 4.4Å; K47-V49 VanDerWaalsContact C-N 3.32Å; K47-V49 PolarHBondContact O-N 2.81Å; V49-V51 VanDerWaalsContact C-N 3.31Å; V49-V51 PolarHBondContact O-N 2.93Å | ||
| 50 | H | 54.7 | Low | 72 | Confident | 136 Ų | 136 | 107.8 Ų | 107.8 | 63% | 0.63 | 53% | 0.528 | S | S | * | . | trans | 30.8 | 64.1 | 172.1 | -88.2 | 54.2 | 0 | 0 | 0 | 112.2 | D48 T52 | D48-H50 PolarHBondContact O-N 3.28Å; H50-T52 PolarHBondContact O-N 3.48Å | ||
| 51 | V | 56.5 | Low | 72.7 | Confident | 109 Ų | 109 | 103.8 Ų | 103.8 | 66% | 0.661 | 50% | 0.502 | S | S | * | . | trans | -74.2 | 89.3 | 165.4 | -175.9 | 0 | 0 | 0 | 0 | 104.6 | V49 N53 | V49-V51 VanDerWaalsContact C-N 3.31Å; V49-V51 PolarHBondContact O-N 2.93Å; V51-N53 PolarHBondContact O-N 3.5Å; V51-N53 VanDerWaalsContact O-N 3.12Å | ||
| 52 | T | 61.4 | Low | 73.6 | Confident | 43 Ų | 43 | 97 Ų | 97 | 26% | 0.264 | 48% | 0.475 | S | S | . | . | trans | -57.9 | 121.2 | 165.4 | 56.1 | 0 | 0 | 0 | 0 | 106.2 | R31 D33 H50 E54 | R31-T52 PolarHBondContact NH2-O 3.35Å; D33-T52 WeakPolarHBondContact O-CG2 3.28Å; H50-T52 PolarHBondContact O-N 3.48Å; T52-E54 PolarHBondContact O-N 3.38Å; T52-E54 PolarHBondContact OG1-O 3.08Å | ||
| 53 | N | 69.4 | Low | 74.9 | Confident | 155 Ų | 155 | 85.9 Ų | 85.9 | 83% | 0.829 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -58.5 | -19.8 | 176.1 | -75.3 | -15.9 | 0 | 0 | 0 | 111.5 | V51 N55 | V51-N53 PolarHBondContact O-N 3.5Å; V51-N53 VanDerWaalsContact O-N 3.12Å; N53-N55 PolarHBondContact O-N 3.34Å |
| 54 | E | 79.3 | Confident | 76.6 | Confident | 124 Ų | 124 | 84.9 Ų | 84.9 | 58% | 0.579 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -73.2 | 118.1 | 172.8 | -62.6 | -167.2 | -179 | 0 | 0 | 111.9 | T52 S56 H73 | T52-E54 PolarHBondContact O-N 3.38Å; T52-E54 PolarHBondContact OG1-O 3.08Å; E54-S56 PolarHBondContact O-N 2.79Å; E54-H73 IonicContact OE2-CE1 3.53Å; E54-H73 IonicContact OE2-ND1 2.86Å; E54-H73 PolarHBondContact OE2-ND1 3.44Å |
| 55 | N | 88 | Confident | 78.3 | Confident | 86 Ų | 86 | 84.8 Ų | 84.8 | 46% | 0.46 | 45% | 0.445 | S | S | . | . | trans | -73.5 | 103.5 | 168.1 | -66.7 | -42.4 | 0 | 0 | 0 | 108.9 | R31 N53 Q74 | R31-N55 PolarHBondContact NH1-OD1 2.98Å; N53-N55 PolarHBondContact O-N 3.34Å; N55-Q74 WeakPolarHBondContact O-CB 3.4Å; N55-Q74 PolarHBondContact O-N 3.35Å; N55-Q74 VanDerWaalsContact O-N 3.11Å | ||
| 56 | S | 93 | Very high | 80.3 | Confident | 9 Ų | 9 | 79.4 Ų | 79.4 | 6% | 0.063 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 156 | 174.2 | 63.6 | 0 | 0 | 0 | 0 | 111 | Y32 E54 V72 | Y32-S56 PolarHBondContact N-O 3.17Å; Y32-S56 PolarHBondContact O-OG 3.19Å; E54-S56 PolarHBondContact O-N 2.79Å; S56-V72 CarbonylContact C-O 3.6Å; S56-V72 VanDerWaalsContact CA-O 3.25Å; S56-V72 WeakPolarHBondContact CA-O 3.4Å; S56-V72 WeakPolarHBondContact CB-O 3.09Å |
| 57 | C | 94.4 | Very high | 82.3 | Confident | 15 Ų | 15 | 82 Ų | 82 | 10% | 0.101 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.6 | 174.4 | 69.7 | 0 | 0 | 0 | 0 | 111.4 | M29 K30 L59 V71 V72 | M29-C57 HydrophobicContact CG-CB 4.23Å; K30-C57 CarbonylContact O-C 3.5Å; K30-C57 VanDerWaalsContact O-CA 3.27Å; K30-C57 WeakPolarHBondContact O-CA 3.23Å; K30-C57 WeakPolarHBondContact O-CB 3.33Å; C57-L59 HydrophobicContact CB-CD1 4.29Å; C57-L59 WeakPolarHBondContact SG-CD1 3.45Å; C57-V71 CarbonylContact O-C 3.49Å; C57-V71 WeakPolarHBondContact O-CA 3.34Å; C57-V72 PolarHBondContact N-O 2.89Å; C57-V72 PolarHBondContact O-N 3.38Å |
| 58 | L | 95.9 | Very high | 84.4 | Confident | 36 Ų | 36 | 73.5 Ų | 73.5 | 19% | 0.188 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 117.4 | 172.4 | 174.8 | 65 | 0 | 0 | 0 | 108 | M29 K30 Y32 R60 V71 | M29-L58 WeakPolarHBondContact CA-O 3.49Å; K30-L58 PolarHBondContact N-O 3.41Å; K30-L58 PolarHBondContact O-N 3.48Å; Y32-L58 HydrophobicContact CD2-CB 4.18Å; Y32-L58 HydrophobicContact CD2-CD2 4.43Å; Y32-L58 HydrophobicContact CG-CB 4.27Å; L58-R60 HydrophobicContact CD1-CG 4.32Å; L58-R60 HydrophobicContact CD2-CG 4.38Å; L58-R60 HydrophobicContact CG-CG 4.04Å; L58-V71 HydrophobicContact CD1-CG2 3.97Å |
| 59 | L | 97.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 139.2 | 170.2 | -82.2 | 77 | 0 | 0 | 0 | 109.6 | F8 T28 M29 C57 S69 T70 V72 F80 Y84 | F8-L59 HydrophobicContact CE1-CB 4.34Å; F8-L59 HydrophobicContact CE1-CD2 4.31Å; F8-L59 HydrophobicContact CZ-CB 3.98Å; T28-L59 CarbonylContact O-C 3.57Å; T28-L59 WeakPolarHBondContact O-CA 3.46Å; M29-L59 HydrophobicContact CB-CD1 4.41Å; M29-L59 HydrophobicContact CB-CG 4.21Å; M29-L59 HydrophobicContact CG-CD1 3.75Å; M29-L59 HydrophobicContact CG-CG 4.09Å; M29-L59 HydrophobicContact SD-CD1 4.17Å; C57-L59 HydrophobicContact CB-CD1 4.29Å; C57-L59 WeakPolarHBondContact SG-CD1 3.45Å; L59-S69 CarbonylContact O-C 3.58Å; L59-S69 WeakPolarHBondContact O-CA 3.39Å; L59-S69 WeakPolarHBondContact O-CB 3.49Å; L59-T70 HydrophobicContact CB-CG2 4.02Å; L59-T70 PolarHBondContact N-O 3.07Å; L59-T70 PolarHBondContact O-N 2.96Å; L59-V72 HydrophobicContact CD1-CG2 3.98Å; L59-F80 HydrophobicContact CD2-CE1 3.58Å; L59-F80 HydrophobicContact CD2-CZ 3.73Å; L59-Y84 HydrophobicContact CD2-CE2 4.38Å |
| 60 | R | 98.1 | Very high | 88.5 | Confident | 96 Ų | 96 | 65 Ų | 65 | 36% | 0.362 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 133.9 | 176.8 | -56.1 | 175 | -69 | 167.8 | 9.1 | 109.1 | I27 T28 L58 I68 | I27-R60 CarbonylContact C-O 3.56Å; I27-R60 WeakPolarHBondContact CA-O 3.44Å; T28-R60 PolarHBondContact N-O 3.48Å; T28-R60 PolarHBondContact O-N 3Å; T28-R60 PolarHBondContact OG1-NE 2.61Å; T28-R60 PolarHBondContact OG1-NH2 3.21Å; T28-R60 VanDerWaalsContact OG1-NH2 3.13Å; L58-R60 HydrophobicContact CD1-CG 4.32Å; L58-R60 HydrophobicContact CD2-CG 4.38Å; L58-R60 HydrophobicContact CG-CG 4.04Å; R60-I68 WeakPolarHBondContact CA-O 3.14Å |
| 61 | A | 98.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 142.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F8 L12 L15 L25 Y26 I27 I68 | F8-A61 HydrophobicContact CE2-CB 4.44Å; F8-A61 HydrophobicContact CZ-CB 4.38Å; L12-A61 HydrophobicContact CD1-CB 3.68Å; L15-A61 HydrophobicContact CD1-CB 4.21Å; L25-A61 HydrophobicContact CD1-CB 4.35Å; Y26-A61 CarbonylContact O-C 3.57Å; Y26-A61 VanDerWaalsContact O-CA 3.22Å; Y26-A61 WeakPolarHBondContact O-CA 3.28Å; I27-A61 HydrophobicContact CG1-CB 4.29Å; A61-I68 HydrophobicContact CB-CD1 4.2Å; A61-I68 HydrophobicContact CB-CG1 3.8Å; A61-I68 PolarHBondContact N-O 2.83Å; A61-I68 PolarHBondContact O-N 2.78Å |
| 62 | T | 98 | Very high | 92.4 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 25% | 0.245 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 128.4 | -176.6 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | Y26 G64 Q66 K67 | Y26-T62 PolarHBondContact N-O 2.79Å; Y26-T62 PolarHBondContact O-N 2.89Å; T62-G64 WeakPolarHBondContact CG2-O 3.38Å; T62-Q66 VanDerWaalsContact CA-O 3.32Å; T62-Q66 WeakPolarHBondContact CA-O 3.13Å; T62-K67 HydrophobicContact CG2-CG 3.95Å |
| 63 | L | 97 | Very high | 94 | Very high | 18 Ų | 18 | 55.3 Ų | 55.3 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 99.4 | 170.8 | -179.9 | 64.4 | 0 | 0 | 0 | 107.9 | L15 Q18 L25 N65 Q66 | L15-L63 HydrophobicContact CD2-CB 4.08Å; L15-L63 HydrophobicContact CD2-CD2 4.23Å; Q18-L63 HydrophobicContact CB-CD2 3.71Å; L25-L63 HydrophobicContact CD1-CB 4.18Å; L63-N65 PolarHBondContact O-N 3.37Å; L63-N65 VanDerWaalsContact O-N 3.11Å; L63-Q66 PolarHBondContact N-O 3.28Å; L63-Q66 PolarHBondContact O-N 2.97Å |
| 64 | G | 94.9 | Very high | 95.2 | Very high | 57 Ų | 57 | 53.5 Ų | 53.5 | 59% | 0.588 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | -115.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T62 | T62-G64 WeakPolarHBondContact CG2-O 3.38Š|
| 65 | N | 94.3 | Very high | 95.9 | Very high | 164 Ų | 164 | 55.7 Ų | 55.7 | 88% | 0.877 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -15.8 | -179.3 | -66.4 | -17.3 | 0 | 0 | 0 | 113.8 | L63 | L63-N65 PolarHBondContact O-N 3.37Å; L63-N65 VanDerWaalsContact O-N 3.11Å |
| 66 | Q | 95.8 | Very high | 96.3 | Very high | 93 Ų | 93 | 54.4 Ų | 54.4 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 123.5 | -179.3 | -63.6 | -174.7 | 81.5 | 0 | 0 | 110.5 | L15 T62 L63 | L15-Q66 HydrophobicContact CD2-CB 4.03Å; T62-Q66 VanDerWaalsContact CA-O 3.32Å; T62-Q66 WeakPolarHBondContact CA-O 3.13Å; L63-Q66 PolarHBondContact N-O 3.28Å; L63-Q66 PolarHBondContact O-N 2.97Å |
| 67 | K | 97.9 | Very high | 96.4 | Very high | 137 Ų | 137 | 56.3 Ų | 56.3 | 60% | 0.596 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 118.1 | -175.7 | -64.2 | 177.9 | -176.6 | 173.5 | 0 | 111.8 | M1 T62 | M1-K67 PolarHBondContact N-O 2.87Å; T62-K67 HydrophobicContact CG2-CG 3.95Å |
| 68 | I | 98.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 61.4 Ų | 61.4 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 153.7 | 174.7 | 62.8 | 172.9 | 0 | 0 | 0 | 110.6 | M1 L3 F8 L12 L15 R60 A61 | M1-I68 CarbonylContact O-C 3.47Å; L3-I68 HydrophobicContact CD1-CB 3.91Å; L3-I68 HydrophobicContact CD1-CG2 3.9Å; F8-I68 HydrophobicContact CD2-CB 4.41Å; F8-I68 HydrophobicContact CD2-CD1 3.98Å; F8-I68 HydrophobicContact CD2-CG1 4.1Å; F8-I68 HydrophobicContact CE2-CD1 3.97Å; F8-I68 HydrophobicContact CE2-CG1 3.87Å; L12-I68 HydrophobicContact CB-CD1 4.26Å; L15-I68 HydrophobicContact CD1-CD1 3.63Å; L15-I68 HydrophobicContact CD1-CG1 3.84Å; R60-I68 WeakPolarHBondContact CA-O 3.14Å; A61-I68 HydrophobicContact CB-CD1 4.2Å; A61-I68 HydrophobicContact CB-CG1 3.8Å; A61-I68 PolarHBondContact N-O 2.83Å; A61-I68 PolarHBondContact O-N 2.78Å |
| 69 | S | 98.2 | Very high | 96.4 | Very high | 22 Ų | 22 | 67.9 Ų | 67.9 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 150.4 | 179.8 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | M1 L2 L3 L59 | M1-S69 PolarHBondContact O-N 3.11Å; M1-S69 PolarHBondContact O-OG 3.18Å; L2-S69 CarbonylContact C-O 3.55Å; L2-S69 WeakPolarHBondContact CA-O 3.31Å; L3-S69 PolarHBondContact N-O 3.48Å; L59-S69 CarbonylContact O-C 3.58Å; L59-S69 WeakPolarHBondContact O-CA 3.39Å; L59-S69 WeakPolarHBondContact O-CB 3.49Å |
| 70 | T | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 153.9 | 171 | -174 | 0 | 0 | 0 | 0 | 110.3 | L3 N5 F8 L59 V72 F80 | L3-T70 PolarHBondContact O-OG1 2.87Å; N5-T70 PolarHBondContact OD1-OG1 3.49Å; F8-T70 HydrophobicContact CB-CG2 3.88Å; F8-T70 HydrophobicContact CD1-CG2 3.54Å; F8-T70 HydrophobicContact CD2-CG2 3.74Å; F8-T70 HydrophobicContact CE1-CG2 3.96Å; F8-T70 HydrophobicContact CE2-CG2 4.14Å; F8-T70 HydrophobicContact CG-CG2 3.42Å; F8-T70 VanDerWaalsContact CG-CG2 3.42Å; F8-T70 HydrophobicContact CZ-CG2 4.24Å; L59-T70 HydrophobicContact CB-CG2 4.02Å; L59-T70 PolarHBondContact N-O 3.07Å; L59-T70 PolarHBondContact O-N 2.96Å; T70-V72 HydrophobicContact CG2-CG2 4.04Å; T70-F80 HydrophobicContact CG2-CE2 4.14Å; T70-F80 HydrophobicContact CG2-CZ 4.2Å |
| 71 | V | 96.9 | Very high | 96.4 | Very high | 21 Ų | 21 | 67.7 Ų | 67.7 | 13% | 0.127 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 119.7 | 168.5 | 174.6 | 0 | 0 | 0 | 0 | 108.1 | L2 N5 Y32 C57 L58 | L2-V71 HydrophobicContact CD1-CG2 4.1Å; N5-V71 PolarHBondContact OD1-O 2.76Å; Y32-V71 HydrophobicContact CD1-CB 4.31Å; Y32-V71 HydrophobicContact CD1-CG1 3.5Å; Y32-V71 HydrophobicContact CD1-CG2 3.75Å; Y32-V71 HydrophobicContact CE1-CB 4.49Å; Y32-V71 HydrophobicContact CE1-CG1 3.95Å; Y32-V71 HydrophobicContact CE1-CG2 3.73Å; Y32-V71 HydrophobicContact CG-CG1 4.35Å; Y32-V71 HydrophobicContact CG-CG2 4.22Å; C57-V71 CarbonylContact O-C 3.49Å; C57-V71 WeakPolarHBondContact O-CA 3.34Å; L58-V71 HydrophobicContact CD1-CG2 3.97Å |
| 72 | V | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115.6 | 177.6 | -170.6 | 0 | 0 | 0 | 0 | 108.4 | S56 C57 L59 T70 M77 F80 | S56-V72 CarbonylContact C-O 3.6Å; S56-V72 VanDerWaalsContact CA-O 3.25Å; S56-V72 WeakPolarHBondContact CA-O 3.4Å; S56-V72 WeakPolarHBondContact CB-O 3.09Å; C57-V72 PolarHBondContact N-O 2.89Å; C57-V72 PolarHBondContact O-N 3.38Å; L59-V72 HydrophobicContact CD1-CG2 3.98Å; T70-V72 HydrophobicContact CG2-CG2 4.04Å; V72-M77 HydrophobicContact CB-CE 4.15Å; V72-M77 HydrophobicContact CG1-CE 3.76Å; V72-M77 HydrophobicContact CG1-SD 4.13Å; V72-F80 HydrophobicContact CG1-CB 3.86Å; V72-F80 HydrophobicContact CG1-CD1 4.13Å; V72-F80 HydrophobicContact CG1-CD2 4.47Å; V72-F80 HydrophobicContact CG1-CG 3.88Å; V72-F80 HydrophobicContact CG2-CD1 3.82Å; V72-F80 HydrophobicContact CG2-CD2 3.91Å; V72-F80 HydrophobicContact CG2-CE1 3.84Å; V72-F80 HydrophobicContact CG2-CE2 3.91Å; V72-F80 HydrophobicContact CG2-CG 3.86Å; V72-F80 HydrophobicContact CG2-CZ 3.89Å |
| 73 | H | 94.8 | Very high | 96.3 | Very high | 65 Ų | 65 | 74.1 Ų | 74.1 | 30% | 0.301 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 155.6 | 173.8 | -65.4 | -95 | 0 | 0 | 0 | 110.7 | E54 K75 D76 M77 | E54-H73 IonicContact OE2-CE1 3.53Å; E54-H73 IonicContact OE2-ND1 2.86Å; E54-H73 PolarHBondContact OE2-ND1 3.44Å; H73-K75 HydrophobicContact CB-CG 4.08Å; H73-K75 PolarHBondContact O-N 3.48Å; H73-K75 VanDerWaalsContact O-N 3.13Å; H73-D76 PolarHBondContact O-N 2.86Å; H73-M77 PolarHBondContact O-N 3.27Å |
| 74 | Q | 93.8 | Very high | 96.4 | Very high | 116 Ų | 116 | 75.1 Ų | 75.1 | 54% | 0.542 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -49.2 | -40.9 | 177.8 | -177.8 | 62.2 | 26.1 | 0 | 0 | 113.3 | N55 D76 M77 | N55-Q74 WeakPolarHBondContact O-CB 3.4Å; N55-Q74 PolarHBondContact O-N 3.35Å; N55-Q74 VanDerWaalsContact O-N 3.11Å; Q74-D76 VanDerWaalsContact C-N 3.27Å; Q74-D76 PolarHBondContact O-N 3.43Å; Q74-M77 WeakPolarHBondContact O-CB 3.4Å; Q74-M77 PolarHBondContact O-N 3.27Å |
| 75 | K | 94.5 | Very high | 96.5 | Very high | 171 Ų | 171 | 74.1 Ų | 74.1 | 74% | 0.743 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -60.5 | -32.4 | -178.7 | 65.6 | -178.6 | -176.2 | 179.1 | 0 | 113.7 | H73 | H73-K75 HydrophobicContact CB-CG 4.08Å; H73-K75 PolarHBondContact O-N 3.48Å; H73-K75 VanDerWaalsContact O-N 3.13Å |
| 76 | D | 95.6 | Very high | 96.6 | Very high | 58 Ų | 58 | 71.2 Ų | 71.2 | 31% | 0.31 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -100.1 | -7.5 | -175.6 | -57.7 | -50.4 | 0 | 0 | 0 | 112.4 | H73 Q74 N78 R79 F80 | H73-D76 PolarHBondContact O-N 2.86Å; Q74-D76 VanDerWaalsContact C-N 3.27Å; Q74-D76 PolarHBondContact O-N 3.43Å; D76-N78 VanDerWaalsContact C-N 3.34Å; D76-N78 PolarHBondContact O-N 2.82Å; D76-R79 PolarHBondContact O-N 3.35Å; D76-F80 WeakPolarHBondContact O-CB 3.37Å; D76-F80 PolarHBondContact O-N 3.39Å |
| 77 | M | 94.4 | Very high | 96.7 | Very high | 50 Ų | 50 | 67.7 Ų | 67.7 | 25% | 0.246 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.4 | -43.9 | -170.7 | -176 | 59.9 | 64.5 | 0 | 0 | 113 | V72 H73 Q74 F80 N81 | V72-M77 HydrophobicContact CB-CE 4.15Å; V72-M77 HydrophobicContact CG1-CE 3.76Å; V72-M77 HydrophobicContact CG1-SD 4.13Å; H73-M77 PolarHBondContact O-N 3.27Å; Q74-M77 WeakPolarHBondContact O-CB 3.4Å; Q74-M77 PolarHBondContact O-N 3.27Å; M77-F80 PolarHBondContact O-N 3.08Å; M77-N81 WeakPolarHBondContact O-CB 3.23Å; M77-N81 PolarHBondContact O-N 3.19Å |
| 78 | N | 95.8 | Very high | 96.7 | Very high | 122 Ų | 122 | 63 Ų | 63 | 65% | 0.652 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.6 | -47.8 | -178 | -73.5 | -31.9 | 0 | 0 | 0 | 111.7 | D76 N81 Q82 | D76-N78 VanDerWaalsContact C-N 3.34Å; D76-N78 PolarHBondContact O-N 2.82Å; N78-N81 PolarHBondContact O-N 2.98Å; N78-Q82 WeakPolarHBondContact O-CG 3.35Å; N78-Q82 PolarHBondContact O-N 3.37Å |
| 79 | R | 96.5 | Very high | 96.5 | Very high | 171 Ų | 171 | 69.6 Ų | 69.6 | 65% | 0.645 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.6 | -46.5 | 177.5 | 179.1 | 176.5 | 167.4 | -172.5 | -11.5 | 110.8 | D6 D76 N81 Q82 A83 | D6-R79 IonicContact OD1-NH2 3.68Å; D6-R79 IonicContact OD2-NH2 3.09Å; D6-R79 PolarHBondContact OD2-NH2 3.31Å; D76-R79 PolarHBondContact O-N 3.35Å; R79-N81 VanDerWaalsContact C-N 3.35Å; R79-N81 PolarHBondContact O-N 2.86Å; R79-Q82 PolarHBondContact O-N 3.11Å; R79-A83 PolarHBondContact O-N 3.24Å |
| 80 | F | 97.5 | Very high | 96.4 | Very high | 12 Ų | 12 | 71.7 Ų | 71.7 | 5% | 0.053 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59 | -46.2 | 177.9 | -175.4 | -90.5 | 0 | 0 | 0 | 111.5 | N5 F8 L9 L59 T70 V72 D76 M77 Q82 A83 Y84 | N5-F80 HydrophobicContact CB-CD2 3.95Å; N5-F80 HydrophobicContact CB-CE2 4.36Å; F8-F80 HydrophobicContact CD1-CE2 4.08Å; F8-F80 AromaticContact CD1-CZ 3.98Å; F8-F80 HydrophobicContact CD1-CZ 3.98Å; F8-F80 HydrophobicContact CE1-CZ 4.05Å; L9-F80 HydrophobicContact CD1-CD2 4.19Å; L9-F80 HydrophobicContact CD1-CE2 4.2Å; L9-F80 HydrophobicContact CD2-CE2 3.99Å; L9-F80 HydrophobicContact CD2-CZ 4.13Å; L9-F80 HydrophobicContact CG-CD2 4.44Å; L9-F80 HydrophobicContact CG-CE2 3.95Å; L59-F80 HydrophobicContact CD2-CE1 3.58Å; L59-F80 HydrophobicContact CD2-CZ 3.73Å; T70-F80 HydrophobicContact CG2-CE2 4.14Å; T70-F80 HydrophobicContact CG2-CZ 4.2Å; V72-F80 HydrophobicContact CG1-CB 3.86Å; V72-F80 HydrophobicContact CG1-CD1 4.13Å; V72-F80 HydrophobicContact CG1-CD2 4.47Å; V72-F80 HydrophobicContact CG1-CG 3.88Å; V72-F80 HydrophobicContact CG2-CD1 3.82Å; V72-F80 HydrophobicContact CG2-CD2 3.91Å; V72-F80 HydrophobicContact CG2-CE1 3.84Å; V72-F80 HydrophobicContact CG2-CE2 3.91Å; V72-F80 HydrophobicContact CG2-CG 3.86Å; V72-F80 HydrophobicContact CG2-CZ 3.89Å; D76-F80 WeakPolarHBondContact O-CB 3.37Å; D76-F80 PolarHBondContact O-N 3.39Å; M77-F80 PolarHBondContact O-N 3.08Å; F80-Q82 PolarHBondContact O-N 3.26Å; F80-A83 PolarHBondContact O-N 3.21Å; F80-Y84 HydrophobicContact CE1-CD2 4.33Å; F80-Y84 HydrophobicContact CE1-CG 4.02Å; F80-Y84 HydrophobicContact CZ-CD2 4.47Å; F80-Y84 WeakPolarHBondContact O-CB 3.4Å; F80-Y84 PolarHBondContact O-N 3.41Å |
| 81 | N | 96.4 | Very high | 96.3 | Very high | 82 Ų | 82 | 72.2 Ų | 72.2 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | -177.5 | -176.3 | 49.7 | 0 | 0 | 0 | 112.7 | M77 N78 R79 S85 | M77-N81 WeakPolarHBondContact O-CB 3.23Å; M77-N81 PolarHBondContact O-N 3.19Å; N78-N81 PolarHBondContact O-N 2.98Å; R79-N81 VanDerWaalsContact C-N 3.35Å; R79-N81 PolarHBondContact O-N 2.86Å; N81-S85 WeakPolarHBondContact O-CB 3.25Å; N81-S85 PolarHBondContact O-N 3.32Å; N81-S85 PolarHBondContact O-OG 3.13Å; N81-S85 PolarHBondContact OD1-OG 3.22Å |
| 82 | Q | 97.4 | Very high | 96.2 | Very high | 132 Ų | 132 | 75.5 Ų | 75.5 | 62% | 0.617 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62 | -50.8 | 175.8 | -71.8 | 175.6 | 8.2 | 0 | 0 | 111.3 | N78 R79 F80 S85 N86 | N78-Q82 WeakPolarHBondContact O-CG 3.35Å; N78-Q82 PolarHBondContact O-N 3.37Å; R79-Q82 PolarHBondContact O-N 3.11Å; F80-Q82 PolarHBondContact O-N 3.26Å; Q82-S85 PolarHBondContact O-N 3.04Å; Q82-N86 VanDerWaalsContact O-CG 3.28Å; Q82-N86 PolarHBondContact O-N 3.23Å; Q82-N86 VanDerWaalsContact O-N 3.11Å; Q82-N86 PolarHBondContact O-ND2 3.15Å |
| 83 | A | 97.8 | Very high | 96 | Very high | 43 Ų | 43 | 80.3 Ų | 80.3 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L9 R79 F80 N86 L87 | L9-A83 HydrophobicContact CD1-CB 3.63Å; R79-A83 PolarHBondContact O-N 3.24Å; F80-A83 PolarHBondContact O-N 3.21Å; A83-N86 PolarHBondContact O-N 2.93Å; A83-L87 WeakPolarHBondContact O-CB 3.49Å; A83-L87 PolarHBondContact O-N 3.32Å |
| 84 | Y | 98 | Very high | 95.8 | Very high | 39 Ų | 39 | 80.9 Ų | 80.9 | 15% | 0.153 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.1 | -46 | 176.9 | 179.8 | -114.2 | 0 | 0 | 0 | 112 | L9 L12 L59 F80 N86 L87 L88 | L9-Y84 HydrophobicContact CD2-CD2 4.21Å; L12-Y84 HydrophobicContact CD2-CD2 4.03Å; L12-Y84 HydrophobicContact CD2-CE2 3.78Å; L59-Y84 HydrophobicContact CD2-CE2 4.38Å; F80-Y84 HydrophobicContact CE1-CD2 4.33Å; F80-Y84 HydrophobicContact CE1-CG 4.02Å; F80-Y84 HydrophobicContact CZ-CD2 4.47Å; F80-Y84 WeakPolarHBondContact O-CB 3.4Å; F80-Y84 PolarHBondContact O-N 3.41Å; Y84-N86 PolarHBondContact O-N 3.37Å; Y84-L87 WeakPolarHBondContact O-CB 3.38Å; Y84-L87 PolarHBondContact O-N 2.96Å; Y84-L88 HydrophobicContact CD1-CD1 4.12Å; Y84-L88 HydrophobicContact CD2-CG 4.44Å; Y84-L88 HydrophobicContact CE1-CD1 3.53Å; Y84-L88 HydrophobicContact CE1-CG 4.19Å; Y84-L88 HydrophobicContact CE2-CD1 4.25Å; Y84-L88 HydrophobicContact CE2-CD2 4Å; Y84-L88 HydrophobicContact CE2-CG 4.09Å; Y84-L88 WeakPolarHBondContact O-CG 3.27Å; Y84-L88 PolarHBondContact O-N 3.25Å |
| 85 | S | 97.6 | Very high | 95.7 | Very high | 36 Ų | 36 | 81.7 Ų | 81.7 | 25% | 0.252 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 178.2 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | N81 Q82 L88 K89 | N81-S85 WeakPolarHBondContact O-CB 3.25Å; N81-S85 PolarHBondContact O-N 3.32Å; N81-S85 PolarHBondContact O-OG 3.13Å; N81-S85 PolarHBondContact OD1-OG 3.22Å; Q82-S85 PolarHBondContact O-N 3.04Å; S85-L88 PolarHBondContact O-N 3.45Å; S85-K89 VanDerWaalsContact O-CG 3.31Å; S85-K89 WeakPolarHBondContact O-CG 3.43Å; S85-K89 PolarHBondContact O-N 2.81Å; S85-K89 VanDerWaalsContact O-N 3.08Å |
| 86 | N | 97.4 | Very high | 95.6 | Very high | 102 Ų | 102 | 83.5 Ų | 83.5 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 177.6 | -70.1 | -16.7 | 0 | 0 | 0 | 111.4 | Q82 A83 Y84 K89 A90 | Q82-N86 VanDerWaalsContact O-CG 3.28Å; Q82-N86 PolarHBondContact O-N 3.23Å; Q82-N86 VanDerWaalsContact O-N 3.11Å; Q82-N86 PolarHBondContact O-ND2 3.15Å; A83-N86 PolarHBondContact O-N 2.93Å; Y84-N86 PolarHBondContact O-N 3.37Å; N86-K89 PolarHBondContact O-N 3.46Å; N86-A90 WeakPolarHBondContact O-CB 3.12Å; N86-A90 PolarHBondContact O-N 3.2Å |
| 87 | L | 97.2 | Very high | 95.2 | Very high | 20 Ų | 20 | 90.1 Ų | 90.1 | 11% | 0.105 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -59.5 | -48 | 175.4 | -174.8 | 160.4 | 0 | 0 | 0 | 111.3 | L9 L12 H13 F16 A83 Y84 K89 A90 N91 | L9-L87 HydrophobicContact CB-CD1 4.36Å; L9-L87 HydrophobicContact CD2-CD1 4.19Å; L9-L87 VanDerWaalsContact O-CD1 3.27Å; L9-L87 WeakPolarHBondContact O-CD1 3.32Å; L12-L87 HydrophobicContact CB-CD1 4.4Å; L12-L87 HydrophobicContact CD2-CD1 4.32Å; L12-L87 HydrophobicContact CD2-CD2 3.86Å; L12-L87 HydrophobicContact CG-CD1 4.44Å; L12-L87 HydrophobicContact CG-CD2 3.98Å; H13-L87 HydrophobicContact CB-CD1 4.1Å; F16-L87 HydrophobicContact CD2-CD2 3.49Å; F16-L87 VanDerWaalsContact CD2-CD2 3.49Å; F16-L87 HydrophobicContact CE2-CD2 3.33Å; F16-L87 HydrophobicContact CZ-CD2 4.42Å; A83-L87 WeakPolarHBondContact O-CB 3.49Å; A83-L87 PolarHBondContact O-N 3.32Å; Y84-L87 WeakPolarHBondContact O-CB 3.38Å; Y84-L87 PolarHBondContact O-N 2.96Å; L87-K89 PolarHBondContact O-N 3.41Å; L87-A90 PolarHBondContact O-N 3.27Å; L87-N91 WeakPolarHBondContact O-CB 3.34Å; L87-N91 PolarHBondContact O-N 3.02Å; L87-N91 PolarHBondContact O-ND2 2.87Å |
| 88 | L | 97 | Very high | 94.7 | Very high | 38 Ų | 38 | 96.3 Ų | 96.3 | 20% | 0.199 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 177.7 | -68.7 | -175.7 | 0 | 0 | 0 | 111.9 | F16 I27 Y84 S85 A90 N91 I92 | F16-L88 HydrophobicContact CE2-CD2 4Å; F16-L88 HydrophobicContact CZ-CD2 3.66Å; I27-L88 HydrophobicContact CD1-CD2 4.12Å; Y84-L88 HydrophobicContact CD1-CD1 4.12Å; Y84-L88 HydrophobicContact CD2-CG 4.44Å; Y84-L88 HydrophobicContact CE1-CD1 3.53Å; Y84-L88 HydrophobicContact CE1-CG 4.19Å; Y84-L88 HydrophobicContact CE2-CD1 4.25Å; Y84-L88 HydrophobicContact CE2-CD2 4Å; Y84-L88 HydrophobicContact CE2-CG 4.09Å; Y84-L88 WeakPolarHBondContact O-CG 3.27Å; Y84-L88 PolarHBondContact O-N 3.25Å; S85-L88 PolarHBondContact O-N 3.45Å; L88-A90 VanDerWaalsContact C-N 3.28Å; L88-A90 PolarHBondContact O-N 3.47Å; L88-N91 PolarHBondContact O-N 2.77Å; L88-I92 HydrophobicContact CB-CD1 4.24Å; L88-I92 HydrophobicContact CD2-CD1 4.2Å; L88-I92 WeakPolarHBondContact O-CB 3.41Å; L88-I92 WeakPolarHBondContact O-CG1 3.43Å; L88-I92 PolarHBondContact O-N 3.21Å |
| 89 | K | 95.7 | Very high | 93.9 | Very high | 160 Ų | 160 | 96.3 Ų | 96.3 | 70% | 0.696 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.1 | -37.9 | 179.8 | -72.8 | 172.5 | -173.3 | 172.2 | 0 | 112.5 | S85 N86 L87 | S85-K89 VanDerWaalsContact O-CG 3.31Å; S85-K89 WeakPolarHBondContact O-CG 3.43Å; S85-K89 PolarHBondContact O-N 2.81Å; S85-K89 VanDerWaalsContact O-N 3.08Å; N86-K89 PolarHBondContact O-N 3.46Å; L87-K89 PolarHBondContact O-N 3.41Å |
| 90 | A | 96.3 | Very high | 92.7 | Very high | 66 Ų | 66 | 97 Ų | 97 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.9 | -24.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N86 L87 L88 | N86-A90 WeakPolarHBondContact O-CB 3.12Å; N86-A90 PolarHBondContact O-N 3.2Å; L87-A90 PolarHBondContact O-N 3.27Å; L88-A90 VanDerWaalsContact C-N 3.28Å; L88-A90 PolarHBondContact O-N 3.47Å |
| 91 | N | 96 | Very high | 91.2 | Very high | 12 Ų | 12 | 108.1 Ų | 108.1 | 6% | 0.064 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -109.7 | -18.1 | -171.5 | -71.2 | -82.8 | 0 | 0 | 0 | 114.7 | F16 L87 L88 D93 | F16-N91 HydrophobicContact CB-CB 3.75Å; F16-N91 WeakPolarHBondContact CB-OD1 3.22Å; F16-N91 HydrophobicContact CD1-CB 3.5Å; F16-N91 HydrophobicContact CD2-CB 3.99Å; F16-N91 HydrophobicContact CE1-CB 4.03Å; F16-N91 HydrophobicContact CE2-CB 4.47Å; F16-N91 HydrophobicContact CG-CB 3.48Å; F16-N91 VanDerWaalsContact CG-CB 3.48Å; F16-N91 HydrophobicContact CZ-CB 4.48Å; L87-N91 WeakPolarHBondContact O-CB 3.34Å; L87-N91 PolarHBondContact O-N 3.02Å; L87-N91 PolarHBondContact O-ND2 2.87Å; L88-N91 PolarHBondContact O-N 2.77Å; N91-D93 VanDerWaalsContact C-N 3.25Å; N91-D93 PolarHBondContact O-N 3.05Å |
| 92 | I | 94.5 | Very high | 89.4 | Confident | 91 Ų | 91 | 107.6 Ų | 107.6 | 47% | 0.467 | 54% | 0.538 | S | S | . | . | trans | -93.7 | 60.9 | 174.5 | -53.4 | 173.1 | 0 | 0 | 0 | 108.6 | F16 L88 L95 | F16-I92 HydrophobicContact CE1-CG1 4Å; F16-I92 HydrophobicContact CZ-CG1 4.42Å; L88-I92 HydrophobicContact CB-CD1 4.24Å; L88-I92 HydrophobicContact CD2-CD1 4.2Å; L88-I92 WeakPolarHBondContact O-CB 3.41Å; L88-I92 WeakPolarHBondContact O-CG1 3.43Å; L88-I92 PolarHBondContact O-N 3.21Å; I92-L95 HydrophobicContact CG2-CD1 4.02Å; I92-L95 HydrophobicContact CG2-CG 4.34Å | ||
| 93 | D | 92.9 | Very high | 87.5 | Confident | 101 Ų | 101 | 109.4 Ų | 109.4 | 54% | 0.54 | 54% | 0.544 | S | S | . | . | trans | -99.1 | -16.3 | -174.9 | 57.1 | -9.2 | 0 | 0 | 0 | 113.4 | K20 N91 L95 | K20-D93 IonicContact NZ-OD1 3.32Å; K20-D93 IonicContact NZ-OD2 3.87Å; K20-D93 PolarHBondContact NZ-OD2 2.83Å; K20-D93 VanDerWaalsContact NZ-OD2 3.09Å; N91-D93 VanDerWaalsContact C-N 3.25Å; N91-D93 PolarHBondContact O-N 3.05Å; D93-L95 PolarHBondContact O-N 3.02Å; D93-L95 VanDerWaalsContact O-N 3.16Å | ||
| 94 | G | 90.4 | Very high | 85.3 | Confident | 77 Ų | 77 | 112.9 Ų | 112.9 | 79% | 0.794 | 57% | 0.565 | S | S | * | * | trans | -77.1 | 11.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 95 | L | 91.5 | Very high | 83.1 | Confident | 133 Ų | 133 | 115.8 Ų | 115.8 | 70% | 0.696 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -85.8 | 147.8 | 179.2 | -63.6 | 177.8 | 0 | 0 | 0 | 111.6 | I92 D93 K97 | I92-L95 HydrophobicContact CG2-CD1 4.02Å; I92-L95 HydrophobicContact CG2-CG 4.34Å; D93-L95 PolarHBondContact O-N 3.02Å; D93-L95 VanDerWaalsContact O-N 3.16Å; L95-K97 PolarHBondContact O-N 3.39Å |
| 96 | K | 91.3 | Very high | 81 | Confident | 209 Ų | 209 | 118.6 Ų | 118.6 | 91% | 0.909 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 131.7 | 174.4 | -69.2 | -172 | 178.3 | -174.5 | 0 | 110.2 | R98 | K96-R98 PolarHBondContact O-N 2.94Š|
| 97 | K | 87.3 | Confident | 79.1 | Confident | 197 Ų | 197 | 120.1 Ų | 120.1 | 86% | 0.857 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 139.3 | 173.4 | -66 | -177.1 | -179 | 177.5 | 0 | 109.2 | L95 D99 | L95-K97 PolarHBondContact O-N 3.39Å; K97-D99 PolarHBondContact O-N 3.43Å |
| 98 | R | 83.5 | Confident | 76.7 | Confident | 179 Ų | 179 | 123.4 Ų | 123.4 | 68% | 0.675 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 120.3 | 177.7 | -175 | 173.7 | -179 | 158.9 | -0.8 | 109.8 | K96 K100 | K96-R98 PolarHBondContact O-N 2.94Å; R98-K100 PolarHBondContact O-N 3.07Å |
| 99 | D | 79.6 | Confident | 74.4 | Confident | 122 Ų | 122 | 124.9 Ų | 124.9 | 65% | 0.652 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 122 | 172.4 | -77.2 | -48 | 0 | 0 | 0 | 110.6 | K97 R101 V102 | K97-D99 PolarHBondContact O-N 3.43Å; D99-R101 PolarHBondContact O-N 3.17Å; D99-R101 VanDerWaalsContact O-N 3.1Å; D99-V102 HydrophobicContact CB-CG2 4.46Å; D99-V102 PolarHBondContact O-N 2.76Å |
| 100 | K | 72.1 | Confident | 72.2 | Confident | 187 Ų | 187 | 126.5 Ų | 126.5 | 81% | 0.813 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -11.4 | -179.8 | -66.7 | -177.7 | -179.5 | 179.9 | 0 | 113.3 | R98 | R98-K100 PolarHBondContact O-N 3.07Š|
| 101 | R | 64.5 | Low | 70.1 | Confident | 244 Ų | 244 | 130.7 Ų | 130.7 | 92% | 0.921 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -14.6 | -176.3 | -59.9 | -173.8 | -171.5 | -156.9 | 2.3 | 114.4 | D99 K103 | D99-R101 PolarHBondContact O-N 3.17Å; D99-R101 VanDerWaalsContact O-N 3.1Å; R101-K103 PolarHBondContact O-N 3.38Å |
| 102 | V | 60.5 | Low | 67.5 | Low | 72 Ų | 72 | 136.6 Ų | 136.6 | 44% | 0.436 | 70% | 0.695 | S | S | . | * | trans | -104.2 | 53.1 | -177.2 | -166 | 0 | 0 | 0 | 0 | 111 | D99 | D99-V102 HydrophobicContact CB-CG2 4.46Å; D99-V102 PolarHBondContact O-N 2.76Å | ||
| 103 | K | 56.4 | Low | 65.2 | Low | 170 Ų | 170 | 143.2 Ų | 143.2 | 74% | 0.739 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -91.3 | 0.7 | -173.7 | -97.3 | -172.7 | 176.5 | -173.4 | 0 | 115.9 | R101 | R101-K103 PolarHBondContact O-N 3.38Š|
| 104 | S | 52.1 | Low | 63 | Low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -138.1 | -6.2 | -178.7 | 70 | 0 | 0 | 0 | 0 | 119.2 | ||
| 105 | T | 51.7 | Low | 61 | Low | 99 Ų | 99 | 149.7 Ų | 149.7 | 61% | 0.607 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -120.8 | -5.7 | -164.5 | 33.3 | 0 | 0 | 0 | 0 | 118.6 | ||
| 106 | N | 53.5 | Low | 59.1 | Low | 95 Ų | 95 | 149.4 Ų | 149.4 | 51% | 0.508 | 73% | 0.73 | S | S | . | * | S | Bend | trans | -132.8 | 9.3 | -168.5 | -79.6 | -45.5 | 0 | 0 | 0 | 117.7 | S109 | N106-S109 PolarHBondContact OD1-OG 3.11Š|
| 107 | I | 56.1 | Low | 56.8 | Low | 134 Ų | 134 | 148.5 Ų | 148.5 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -87.4 | -24.8 | 177.7 | -67.3 | 169.4 | 0 | 0 | 0 | 112.2 | ||
| 108 | S | 47.8 | Very low | 55.1 | Low | 90 Ų | 90 | 148.9 Ų | 148.9 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -86.7 | -21.2 | 175.5 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 109 | S | 48.4 | Very low | 53.4 | Low | 69 Ų | 69 | 147.9 Ų | 147.9 | 48% | 0.483 | 78% | 0.776 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.6 | -16.1 | -171.3 | 56.1 | 0 | 0 | 0 | 0 | 115 | N106 | N106-S109 PolarHBondContact OD1-OG 3.11Š|
| 110 | K | 50.1 | Low | 52 | Low | 193 Ų | 193 | 149.2 Ų | 149.2 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -5.2 | 177.4 | -73.4 | -172.4 | 178.5 | -179.4 | 0 | 114.9 | ||
| 111 | L | 51.1 | Low | 51 | Low | 154 Ų | 154 | 147.2 Ų | 147.2 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -6.4 | -179.4 | -149.3 | 70.9 | 0 | 0 | 0 | 113.8 | R113 | L111-R113 PolarHBondContact O-N 3.31Š|
| 112 | N | 41.4 | Very low | 50.2 | Low | 136 Ų | 136 | 141.8 Ų | 141.8 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -86.8 | 82.8 | 172.9 | -81.6 | -16.5 | 0 | 0 | 0 | 110.8 | P114 | N112-P114 WeakPolarHBondContact O-CD 3.38Š| ||
| 113 | R | 47.1 | Very low | 49.6 | Very low | 231 Ų | 231 | 145.9 Ų | 145.9 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | -76.1 | 115.8 | 163.5 | -174.9 | 174.3 | 172.9 | -177.4 | -2.7 | 107.7 | L111 K115 | L111-R113 PolarHBondContact O-N 3.31Å; R113-K115 PolarHBondContact O-N 3.34Å | ||
| 114 | P | 47.4 | Very low | 49.2 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | trans | -64.5 | 125 | 176 | 24.7 | -30.1 | 0 | 0 | 0 | 108.9 | N112 T116 | N112-P114 WeakPolarHBondContact O-CD 3.38Å; P114-T116 PolarHBondContact O-N 3.12Å; P114-T116 VanDerWaalsContact O-N 3.08Å | ||
| 115 | K | 47.7 | Very low | 49 | Very low | 212 Ų | 212 | 146.3 Ų | 146.3 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | trans | -65.6 | 103.2 | 162.9 | -70.4 | -176.9 | 179.5 | 177.6 | 0 | 106.3 | R113 | R113-K115 PolarHBondContact O-N 3.34Š| ||
| 116 | T | 52.3 | Low | 48.8 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -89.2 | 108.8 | 164.6 | 21.3 | 0 | 0 | 0 | 0 | 106.9 | P114 | P114-T116 PolarHBondContact O-N 3.12Å; P114-T116 VanDerWaalsContact O-N 3.08Å | ||
| 117 | E | 41.8 | Very low | 48.5 | Very low | 190 Ų | 190 | 153.9 Ų | 153.9 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | -53.7 | 139 | 156.7 | -75.8 | 178.9 | 139.2 | 0 | 0 | 109.2 | ||||
| 118 | K | 52.6 | Low | 47.8 | Very low | 206 Ų | 206 | 155.6 Ų | 155.6 | 90% | 0.896 | 84% | 0.844 | S | S | * | * | trans | -136.2 | 119 | 161.6 | -93.3 | -163.5 | 173.7 | -171.9 | 0 | 107.4 | ||||
| 119 | G | 46.3 | Very low | 47.8 | Very low | 158 Ų | 158 | 161.5 Ų | 161.5 | 100% | 1.629 | 86% | 0.863 | S | S | * | * | trans | 79.6 | 0 | 151.1 | 0 | 0 | 0 | 0 | 0 | 115.7 |
Retrieved 119 of 119 residues in 36.1 ms
(Link to these results)