| 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 | 57.6 | Low | 85.7 | Confident | 226 Ų | 226 | 124.5 Ų | 124.5 | 100% | 1.113 | 67% | 0.668 | S | S | * | * | 0 | 128.7 | 0 | -63.5 | -55.8 | -179.1 | 0 | 0 | 108.2 | L3 | M1-L3 PolarHBondContact O-N 3.43Š| |||
| 2 | P | 77.8 | Confident | 86.3 | Confident | 105 Ų | 105 | 127.2 Ų | 127.2 | 68% | 0.682 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 139.9 | 169.6 | 27.5 | -30.6 | 0 | 0 | 0 | 108.3 | ||
| 3 | L | 85.2 | Confident | 86.9 | Confident | 160 Ų | 160 | 132.9 Ų | 132.9 | 84% | 0.838 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 154.6 | 171.8 | -65.7 | 169.3 | 0 | 0 | 0 | 110 | M1 R5 | M1-L3 PolarHBondContact O-N 3.43Å; L3-R5 PolarHBondContact O-N 3.18Å |
| 4 | A | 86.6 | Confident | 87.2 | Confident | 112 Ų | 112 | 130.3 Ų | 130.3 | 93% | 0.926 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 131.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 5 | R | 85.3 | Confident | 87.7 | Confident | 193 Ų | 193 | 125.3 Ų | 125.3 | 73% | 0.728 | 63% | 0.633 | S | S | * | * | trans | -105.1 | 137.5 | 179.6 | -68.1 | -174.9 | 177.3 | 177.4 | -0.9 | 109.9 | L3 L7 | L3-R5 PolarHBondContact O-N 3.18Å; R5-L7 PolarHBondContact O-N 2.99Å | ||
| 6 | D | 90 | Very high | 88 | Confident | 93 Ų | 93 | 126.7 Ų | 126.7 | 50% | 0.497 | 63% | 0.634 | S | S | . | * | trans | -75.2 | 116.8 | 169.3 | -170.6 | -11.8 | 0 | 0 | 0 | 109.8 | L8 H9 | D6-L8 PolarHBondContact OD1-N 2.89Å; D6-H9 PolarHBondContact OD1-N 2.85Å; D6-H9 IonicContact OD1-ND1 3.66Å; D6-H9 WeakPolarHBondContact OD2-CB 3.48Å; D6-H9 IonicContact OD2-CG 3.72Å; D6-H9 IonicContact OD2-ND1 3.19Å; D6-H9 PolarHBondContact OD2-ND1 3.25Å | ||
| 7 | L | 90 | Very high | 88.4 | Confident | 137 Ų | 137 | 132.5 Ų | 132.5 | 72% | 0.717 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -91.9 | -23.4 | 178.6 | -62.2 | 179.6 | 0 | 0 | 0 | 113 | R5 | R5-L7 PolarHBondContact O-N 2.99Š|
| 8 | L | 92.6 | Very high | 88.8 | Confident | 126 Ų | 126 | 129.8 Ų | 129.8 | 66% | 0.66 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -85.4 | -31.2 | -175.8 | -68 | 168 | 0 | 0 | 0 | 111.2 | D6 P10 L24 | D6-L8 PolarHBondContact OD1-N 2.89Å; L8-P10 VanDerWaalsContact C-CD 3.4Å; L8-P10 WeakPolarHBondContact O-CD 3.46Å; L8-L24 WeakPolarHBondContact O-CD2 3.14Å |
| 9 | H | 92.9 | Very high | 89.2 | Confident | 140 Ų | 140 | 126.9 Ų | 126.9 | 65% | 0.648 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -126.3 | 64 | 179.8 | -42.1 | 94.4 | 0 | 0 | 0 | 111.5 | D6 | D6-H9 PolarHBondContact OD1-N 2.85Å; D6-H9 IonicContact OD1-ND1 3.66Å; D6-H9 WeakPolarHBondContact OD2-CB 3.48Å; D6-H9 IonicContact OD2-CG 3.72Å; D6-H9 IonicContact OD2-ND1 3.19Å; D6-H9 PolarHBondContact OD2-ND1 3.25Å |
| 10 | P | 92.1 | Very high | 89.5 | Confident | 23 Ų | 23 | 125.9 Ų | 125.9 | 15% | 0.149 | 62% | 0.616 | C | S | . | * | trans | -61.5 | 149.4 | 176.8 | 29.1 | -36.8 | 0 | 0 | 0 | 111.2 | L8 E15 | L8-P10 VanDerWaalsContact C-CD 3.4Å; L8-P10 WeakPolarHBondContact O-CD 3.46Å; P10-E15 HydrophobicContact CB-CG 3.84Å; P10-E15 HydrophobicContact CG-CG 3.5Å; P10-E15 WeakPolarHBondContact CG-OE1 3.35Å | ||
| 11 | S | 92.8 | Very high | 89.8 | Confident | 55 Ų | 55 | 126.2 Ų | 126.2 | 39% | 0.385 | 62% | 0.62 | S | S | . | * | trans | -67.3 | 147.6 | 177.2 | 69.5 | 0 | 0 | 0 | 0 | 111.3 | R13 E14 E15 | S11-R13 PolarHBondContact O-N 2.79Å; S11-R13 VanDerWaalsContact O-N 3.08Å; S11-E14 WeakPolarHBondContact CB-OE2 3.38Å; S11-E14 PolarHBondContact N-OE2 3.37Å; S11-E14 WeakPolarHBondContact O-CB 3.18Å; S11-E14 PolarHBondContact O-N 3.35Å; S11-E14 WeakPolarHBondContact OG-CB 3.21Å; S11-E14 WeakPolarHBondContact OG-CG 3.43Å; S11-E14 PolarHBondContact OG-N 3.45Å; S11-E14 PolarHBondContact OG-OE2 3.24Å; S11-E15 PolarHBondContact O-N 2.77Å | ||
| 12 | F | 92.7 | Very high | 91.6 | Very high | 156 Ų | 156 | 123.3 Ų | 123.3 | 68% | 0.684 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -53 | -36 | 177.9 | 176.1 | -101.3 | 0 | 0 | 0 | 113 | K16 | F12-K16 HydrophobicContact CE1-CD 4.19Å; F12-K16 HydrophobicContact CZ-CD 4.36Å; F12-K16 WeakPolarHBondContact O-CB 3.39Å; F12-K16 PolarHBondContact O-N 2.9Å |
| 13 | R | 93.7 | Very high | 92.5 | Very high | 202 Ų | 202 | 120.1 Ų | 120.1 | 76% | 0.762 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.5 | -40.3 | 178.2 | -68.6 | -177 | 179.3 | 178.3 | 0.2 | 111.7 | S11 R17 | S11-R13 PolarHBondContact O-N 2.79Å; S11-R13 VanDerWaalsContact O-N 3.08Å; R13-R17 WeakPolarHBondContact O-CG 3.35Å; R13-R17 PolarHBondContact O-N 3.49Å |
| 14 | E | 92.1 | Very high | 92.9 | Very high | 96 Ų | 96 | 117 Ų | 117 | 45% | 0.449 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.1 | -45.5 | 177.8 | -72 | 166.1 | 142.3 | 0 | 0 | 111.1 | S11 K16 R17 K18 | S11-E14 WeakPolarHBondContact CB-OE2 3.38Å; S11-E14 PolarHBondContact N-OE2 3.37Å; S11-E14 WeakPolarHBondContact O-CB 3.18Å; S11-E14 PolarHBondContact O-N 3.35Å; S11-E14 WeakPolarHBondContact OG-CB 3.21Å; S11-E14 WeakPolarHBondContact OG-CG 3.43Å; S11-E14 PolarHBondContact OG-N 3.45Å; S11-E14 PolarHBondContact OG-OE2 3.24Å; E14-K16 VanDerWaalsContact C-N 3.32Å; E14-K16 PolarHBondContact O-N 2.8Å; E14-R17 PolarHBondContact O-N 2.81Å; E14-K18 WeakPolarHBondContact O-CG 3.5Å; E14-K18 PolarHBondContact O-N 3.05Å |
| 15 | E | 93.6 | Very high | 93.3 | Very high | 55 Ų | 55 | 116.9 Ų | 116.9 | 26% | 0.257 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 177.8 | -68.1 | -154 | 130.3 | 0 | 0 | 113.2 | P10 S11 R17 K18 R23 L24 | P10-E15 HydrophobicContact CB-CG 3.84Å; P10-E15 HydrophobicContact CG-CG 3.5Å; P10-E15 WeakPolarHBondContact CG-OE1 3.35Å; S11-E15 PolarHBondContact O-N 2.77Å; E15-R17 VanDerWaalsContact C-N 3.28Å; E15-R17 PolarHBondContact O-N 3.36Å; E15-K18 PolarHBondContact O-N 2.92Å; E15-R23 PolarHBondContact O-NE 3.15Å; E15-L24 WeakPolarHBondContact OE1-CB 3.12Å |
| 16 | K | 93.5 | Very high | 93.8 | Very high | 148 Ų | 148 | 111.8 Ų | 111.8 | 64% | 0.643 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.8 | -30.5 | 178.8 | -171.4 | 176 | 179 | -177.4 | 0 | 112.7 | F12 E14 | F12-K16 HydrophobicContact CE1-CD 4.19Å; F12-K16 HydrophobicContact CZ-CD 4.36Å; F12-K16 WeakPolarHBondContact O-CB 3.39Å; F12-K16 PolarHBondContact O-N 2.9Å; E14-K16 VanDerWaalsContact C-N 3.32Å; E14-K16 PolarHBondContact O-N 2.8Å |
| 17 | R | 94.7 | Very high | 93.9 | Very high | 225 Ų | 225 | 109.6 Ų | 109.6 | 85% | 0.849 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -75.9 | -27.2 | 176.9 | -72.7 | 175.7 | 178.9 | -167.9 | -0.3 | 112.8 | R13 E14 E15 | R13-R17 WeakPolarHBondContact O-CG 3.35Å; R13-R17 PolarHBondContact O-N 3.49Å; E14-R17 PolarHBondContact O-N 2.81Å; E15-R17 VanDerWaalsContact C-N 3.28Å; E15-R17 PolarHBondContact O-N 3.36Å |
| 18 | K | 95.2 | Very high | 94.2 | Very high | 85 Ų | 85 | 106.6 Ų | 106.6 | 37% | 0.37 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -65.1 | 146.1 | 178.3 | -65.8 | 178 | -170.5 | 179.1 | 0 | 110.7 | E14 E15 K22 R23 | E14-K18 WeakPolarHBondContact O-CG 3.5Å; E14-K18 PolarHBondContact O-N 3.05Å; E15-K18 PolarHBondContact O-N 2.92Å; K18-K22 WeakPolarHBondContact CD-O 3.48Å; K18-R23 HydrophobicContact CB-CG 4.19Å |
| 19 | C | 96.2 | Very high | 94.3 | Very high | 74 Ų | 74 | 104.7 Ų | 104.7 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | trans | -54.8 | 146.7 | 167.8 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | L21 K22 | C19-L21 PolarHBondContact O-N 3.22Å; C19-K22 HydrophobicContact CB-CB 4.46Å; C19-K22 HydrophobicContact CB-CG 4.38Å; C19-K22 PolarHBondContact O-N 3.44Å | ||
| 20 | K | 95.4 | Very high | 94.4 | Very high | 106 Ų | 106 | 99.5 Ų | 99.5 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -30.4 | -176.1 | 67.8 | 178.6 | -178.2 | 178.3 | 0 | 114.3 | P26 S27 | K20-P26 WeakPolarHBondContact O-CA 3.22Å; K20-S27 WeakPolarHBondContact CB-O 3.34Å |
| 21 | L | 96.4 | Very high | 94.6 | Very high | 134 Ų | 134 | 99.6 Ų | 99.6 | 70% | 0.702 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -14.7 | 179.6 | -59.9 | -179.3 | 0 | 0 | 0 | 113.9 | C19 | C19-L21 PolarHBondContact O-N 3.22Š|
| 22 | K | 95.7 | Very high | 94.8 | Very high | 164 Ų | 164 | 102.3 Ų | 102.3 | 71% | 0.713 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -105.8 | 9.9 | -175.9 | -63 | -171.5 | 177.9 | -174.6 | 0 | 113.2 | K18 C19 | K18-K22 WeakPolarHBondContact CD-O 3.48Å; C19-K22 HydrophobicContact CB-CB 4.46Å; C19-K22 HydrophobicContact CB-CG 4.38Å; C19-K22 PolarHBondContact O-N 3.44Å |
| 23 | R | 95.4 | Very high | 94.9 | Very high | 38 Ų | 38 | 95.2 Ų | 95.2 | 14% | 0.143 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -72.2 | 163.2 | 173.1 | -67.1 | 178.6 | -178.6 | 146.8 | 8.9 | 109.8 | E15 K18 V25 S27 N29 | E15-R23 PolarHBondContact O-NE 3.15Å; K18-R23 HydrophobicContact CB-CG 4.19Å; R23-V25 VanDerWaalsContact C-N 3.27Å; R23-V25 VanDerWaalsContact CB-O 3.29Å; R23-V25 WeakPolarHBondContact CB-O 2.75Å; R23-V25 PolarHBondContact O-N 3.31Å; R23-S27 PolarHBondContact NH1-O 2.94Å; R23-S27 PolarHBondContact NH1-OG 2.81Å; R23-N29 PolarHBondContact NH1-OD1 3.13Å; R23-N29 PolarHBondContact NH2-OD1 3.47Å |
| 24 | L | 94.4 | Very high | 95 | Very high | 96 Ų | 96 | 87.5 Ų | 87.5 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -57.7 | -46.6 | 174.2 | -176.3 | 66.9 | 0 | 0 | 0 | 110.1 | L8 E15 | L8-L24 WeakPolarHBondContact O-CD2 3.14Å; E15-L24 WeakPolarHBondContact OE1-CB 3.12Å |
| 25 | V | 94.7 | Very high | 95.1 | Very high | 109 Ų | 109 | 83 Ų | 83 | 66% | 0.661 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -117 | 120.7 | 166.5 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | R23 S27 | R23-V25 VanDerWaalsContact C-N 3.27Å; R23-V25 VanDerWaalsContact CB-O 3.29Å; R23-V25 WeakPolarHBondContact CB-O 2.75Å; R23-V25 PolarHBondContact O-N 3.31Å; V25-S27 PolarHBondContact O-N 2.88Å |
| 26 | P | 95.3 | Very high | 95.2 | Very high | 86 Ų | 86 | 84.4 Ų | 84.4 | 56% | 0.558 | 42% | 0.42 | S | S | * | . | trans | -65.7 | 136.6 | -179.1 | 26.5 | -33.5 | 0 | 0 | 0 | 110.9 | K20 | K20-P26 WeakPolarHBondContact O-CA 3.22Š| ||
| 27 | S | 93.3 | Very high | 95.2 | Very high | 47 Ų | 47 | 77.5 Ų | 77.5 | 33% | 0.329 | 39% | 0.39 | S | S | . | . | trans | -147.8 | 145.7 | -178.2 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | K20 R23 V25 | K20-S27 WeakPolarHBondContact CB-O 3.34Å; R23-S27 PolarHBondContact NH1-O 2.94Å; R23-S27 PolarHBondContact NH1-OG 2.81Å; V25-S27 PolarHBondContact O-N 2.88Å | ||
| 28 | P | 95.3 | Very high | 95 | Very high | 73 Ų | 73 | 69.8 Ų | 69.8 | 47% | 0.474 | 37% | 0.37 | S | S | . | . | trans | -70.8 | 141.8 | -178 | 27.4 | -33.8 | 0 | 0 | 0 | 111.8 | S30 K84 | P28-S30 VanDerWaalsContact C-N 3.31Å; P28-K84 PolarHBondContact O-NZ 3.48Å | ||
| 29 | N | 94.5 | Very high | 94.7 | Very high | 86 Ų | 86 | 67.7 Ų | 67.7 | 46% | 0.46 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -80.1 | -14.9 | 170.4 | -70.5 | -18 | 0 | 0 | 0 | 112.9 | R23 | R23-N29 PolarHBondContact NH1-OD1 3.13Å; R23-N29 PolarHBondContact NH2-OD1 3.47Å |
| 30 | S | 95.6 | Very high | 94.4 | Very high | 32 Ų | 32 | 66.1 Ų | 66.1 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | trans | -79.7 | 162.5 | 178.2 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | P28 F47 S48 H49 | P28-S30 VanDerWaalsContact C-N 3.31Å; S30-F47 VanDerWaalsContact CB-CE2 3.46Å; S30-S48 WeakPolarHBondContact CA-OG 3.43Å; S30-H49 WeakPolarHBondContact CB-ND1 3.29Å | ||
| 31 | F | 96.2 | Very high | 94.2 | Very high | 24 Ų | 24 | 66.3 Ų | 66.3 | 11% | 0.105 | 37% | 0.368 | C | S | . | . | trans | -153.8 | 163.2 | 176.8 | 53.3 | -91.1 | 0 | 0 | 0 | 110.1 | M33 S48 Y79 K81 | F31-M33 HydrophobicContact CD2-CB 4.41Å; F31-M33 HydrophobicContact CE2-CB 4.32Å; F31-M33 HydrophobicContact CE2-SD 4.19Å; F31-S48 PolarHBondContact N-OG 3.36Å; F31-S48 VanDerWaalsContact O-CB 3.22Å; F31-S48 WeakPolarHBondContact O-CB 3.33Å; F31-S48 PolarHBondContact O-N 2.89Å; F31-S48 PolarHBondContact O-OG 2.86Å; F31-Y79 HydrophobicContact CE2-CE2 4.49Å; F31-K81 HydrophobicContact CB-CD 4.32Å; F31-K81 HydrophobicContact CB-CG 4.25Å; F31-K81 HydrophobicContact CD1-CD 4.29Å; F31-K81 HydrophobicContact CD2-CB 4.31Å; F31-K81 HydrophobicContact CD2-CD 3.92Å; F31-K81 HydrophobicContact CD2-CG 3.63Å; F31-K81 HydrophobicContact CE2-CB 4.44Å; F31-K81 HydrophobicContact CE2-CD 4.27Å; F31-K81 HydrophobicContact CE2-CG 4.16Å; F31-K81 HydrophobicContact CG-CD 3.92Å; F31-K81 HydrophobicContact CG-CG 4Å | ||
| 32 | F | 96.6 | Very high | 94 | Very high | 112 Ų | 112 | 64.9 Ų | 64.9 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 148.4 | 166.7 | -68.9 | -83 | 0 | 0 | 0 | 109.9 | I45 V46 F47 K82 | F32-I45 HydrophobicContact CB-CG2 4.08Å; F32-I45 HydrophobicContact CD1-CG2 3.99Å; F32-I45 HydrophobicContact CG-CG2 4.37Å; F32-V46 WeakPolarHBondContact CA-O 3.22Å; F32-F47 HydrophobicContact CD1-CB 4.16Å; F32-F47 HydrophobicContact CD1-CD2 4.11Å; F32-F47 HydrophobicContact CE1-CB 3.93Å; F32-F47 AromaticContact CE1-CD2 3.79Å; F32-F47 HydrophobicContact CE1-CD2 3.79Å; F32-F47 HydrophobicContact CE1-CG 4.28Å; F32-F47 HydrophobicContact CE2-CD2 4.3Å; F32-F47 AromaticContact CZ-CD2 3.89Å; F32-F47 HydrophobicContact CZ-CD2 3.89Å; F32-F47 HydrophobicContact CZ-CE2 4.49Å; F32-K82 HydrophobicContact CB-CB 4.45Å; F32-K82 PolarHBondContact O-N 3.06Å |
| 33 | M | 95.5 | Very high | 93.9 | Very high | 7 Ų | 7 | 62.3 Ų | 62.3 | 3% | 0.034 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 141.1 | 178.8 | 53.7 | -169.8 | 169.2 | 0 | 0 | 110.4 | F31 V35 I45 V46 L73 Y79 R80 | F31-M33 HydrophobicContact CD2-CB 4.41Å; F31-M33 HydrophobicContact CE2-CB 4.32Å; F31-M33 HydrophobicContact CE2-SD 4.19Å; M33-V35 HydrophobicContact CG-CG2 3.94Å; M33-V35 PolarHBondContact O-N 2.79Å; M33-V35 HydrophobicContact SD-CG2 4.41Å; M33-I45 WeakPolarHBondContact O-CA 3.49Å; M33-V46 HydrophobicContact CE-CB 4.3Å; M33-V46 HydrophobicContact CE-CG1 3.94Å; M33-V46 HydrophobicContact CG-CB 4.27Å; M33-V46 WeakPolarHBondContact CG-O 3.32Å; M33-V46 PolarHBondContact N-O 3.15Å; M33-V46 PolarHBondContact O-N 2.66Å; M33-L73 HydrophobicContact CE-CD2 4.04Å; M33-Y79 HydrophobicContact CB-CD2 3.87Å; M33-Y79 HydrophobicContact CG-CD2 4.36Å; M33-Y79 HydrophobicContact SD-CD2 3.73Å; M33-Y79 HydrophobicContact SD-CE2 4.24Å; M33-Y79 HydrophobicContact SD-CG 4.09Å; M33-R80 CarbonylContact C-O 3.51Å; M33-R80 WeakPolarHBondContact CA-O 3.49Å; M33-R80 WeakPolarHBondContact CB-O 3.46Å |
| 34 | D | 95.3 | Very high | 93.8 | Very high | 41 Ų | 41 | 62.4 Ų | 62.4 | 22% | 0.219 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 108.5 | 169.4 | -72.7 | -39.8 | 0 | 0 | 0 | 108.2 | I43 Y79 R80 K82 | D34-I43 HydrophobicContact CB-CG2 3.63Å; D34-Y79 CarbonylContact O-C 3.52Å; D34-Y79 WeakPolarHBondContact O-CA 3.21Å; D34-R80 PolarHBondContact N-O 3.49Å; D34-R80 PolarHBondContact O-N 2.9Å; D34-K82 WeakPolarHBondContact OD1-CE 3.44Å; D34-K82 IonicContact OD1-NZ 3.47Å; D34-K82 PolarHBondContact OD1-NZ 3.33Å; D34-K82 WeakPolarHBondContact OD2-CE 3.17Å |
| 35 | V | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 122.2 | 178.6 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | M33 I43 Q44 V46 L63 L73 C77 S78 | M33-V35 HydrophobicContact CG-CG2 3.94Å; M33-V35 PolarHBondContact O-N 2.79Å; M33-V35 HydrophobicContact SD-CG2 4.41Å; V35-I43 WeakPolarHBondContact O-CA 3.43Å; V35-Q44 PolarHBondContact N-O 3.16Å; V35-Q44 PolarHBondContact O-N 3.31Å; V35-V46 HydrophobicContact CB-CG2 3.89Å; V35-V46 HydrophobicContact CG2-CB 3.71Å; V35-V46 HydrophobicContact CG2-CG2 3.55Å; V35-L63 HydrophobicContact CG1-CB 4.36Å; V35-L63 HydrophobicContact CG1-CD2 4.42Å; V35-L73 HydrophobicContact CG1-CD2 4.2Å; V35-L73 HydrophobicContact CG2-CD2 3.85Å; V35-C77 HydrophobicContact CG1-CB 3.93Å; V35-S78 CarbonylContact C-O 3.47Å; V35-S78 WeakPolarHBondContact CA-O 3.43Å |
| 36 | K | 94.7 | Very high | 93.8 | Very high | 86 Ų | 86 | 57.4 Ų | 57.4 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123 | 174.5 | -177.9 | 179.5 | -179.7 | -177.9 | 0 | 109.4 | L41 I43 S78 | K36-L41 VanDerWaalsContact CE-CD2 3.42Å; K36-I43 HydrophobicContact CB-CG1 4.39Å; K36-S78 PolarHBondContact N-O 3.4Å; K36-S78 PolarHBondContact O-N 2.81Å |
| 37 | C | 93.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 137.2 | 175.3 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | G39 L41 K42 C56 C59 L63 | C37-G39 VanDerWaalsContact C-N 3.3Å; C37-G39 PolarHBondContact O-N 3.37Å; C37-L41 WeakPolarHBondContact O-CA 3.18Å; C37-L41 PolarHBondContact O-N 3.12Å; C37-K42 PolarHBondContact N-O 3.14Å; C37-C56 HydrophobicContact CB-CB 4.5Å; C37-C56 VanDerWaalsContact CB-SG 3.59Å; C37-C59 PolarHBondContact SG-SG 3.06Å; C37-L63 HydrophobicContact CB-CD2 3.8Å |
| 38 | S | 90.7 | Very high | 94 | Very high | 63 Ų | 63 | 54.7 Ų | 54.7 | 44% | 0.441 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -26.2 | 175.6 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 39 | G | 89.2 | Confident | 94.1 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 42% | 0.423 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -57.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | C37 | C37-G39 VanDerWaalsContact C-N 3.3Å; C37-G39 PolarHBondContact O-N 3.37Å |
| 40 | C | 90.9 | Very high | 94.1 | Very high | 41 Ų | 41 | 50.2 Ų | 50.2 | 28% | 0.277 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -0.1 | -172.6 | 63.8 | 0 | 0 | 0 | 0 | 114.3 | K42 C56 C59 | C40-K42 HydrophobicContact CB-CG 4.39Å; C40-K42 PolarHBondContact O-N 2.87Å; C40-C56 PolarHBondContact SG-SG 3.19Å; C40-C59 HydrophobicContact CB-CB 4.27Å; C40-C59 VanDerWaalsContact SG-SG 3.65Å |
| 41 | L | 89.9 | Confident | 94.1 | Very high | 111 Ų | 111 | 57.1 Ų | 57.1 | 58% | 0.581 | 29% | 0.294 | S | S | * | . | trans | 58.5 | 4.1 | -177.1 | -51.4 | 173.9 | 0 | 0 | 0 | 115.4 | K36 C37 | K36-L41 VanDerWaalsContact CE-CD2 3.42Å; C37-L41 WeakPolarHBondContact O-CA 3.18Å; C37-L41 PolarHBondContact O-N 3.12Å | ||
| 42 | K | 93 | Very high | 94 | Very high | 104 Ų | 104 | 60.7 Ų | 60.7 | 45% | 0.452 | 32% | 0.318 | S | S | . | . | trans | -64.8 | 144.1 | 172.7 | -65.6 | -171.8 | -173.8 | -177.9 | 0 | 110.1 | C37 C40 P57 | C37-K42 PolarHBondContact N-O 3.14Å; C40-K42 HydrophobicContact CB-CG 4.39Å; C40-K42 PolarHBondContact O-N 2.87Å; K42-P57 PolarHBondContact NZ-O 2.95Å | ||
| 43 | I | 93.1 | Very high | 93.9 | Very high | 109 Ų | 109 | 57.9 Ų | 57.9 | 56% | 0.559 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129.9 | 178.6 | -60.3 | 172.5 | 0 | 0 | 0 | 108.1 | D34 V35 K36 | D34-I43 HydrophobicContact CB-CG2 3.63Å; V35-I43 WeakPolarHBondContact O-CA 3.43Å; K36-I43 HydrophobicContact CB-CG1 4.39Å |
| 44 | Q | 94 | Very high | 93.8 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 19% | 0.192 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 145.9 | 172.5 | -110 | -164.6 | 21.8 | 0 | 0 | 110.6 | V35 V46 V55 P57 L63 | V35-Q44 PolarHBondContact N-O 3.16Å; V35-Q44 PolarHBondContact O-N 3.31Å; Q44-V46 PolarHBondContact O-N 3.47Å; Q44-V55 PolarHBondContact NE2-O 2.86Å; Q44-V55 PolarHBondContact OE1-O 2.99Å; Q44-P57 HydrophobicContact CG-CG 4.02Å; Q44-P57 VanDerWaalsContact NE2-CG 3.27Å; Q44-L63 HydrophobicContact CB-CD1 3.74Å; Q44-L63 HydrophobicContact CG-CD1 4.39Å |
| 45 | I | 94.3 | Very high | 93.7 | Very high | 98 Ų | 98 | 60 Ų | 60 | 50% | 0.503 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 116.7 | 174.9 | -52.6 | 170.5 | 0 | 0 | 0 | 107.9 | F32 M33 K82 | F32-I45 HydrophobicContact CB-CG2 4.08Å; F32-I45 HydrophobicContact CD1-CG2 3.99Å; F32-I45 HydrophobicContact CG-CG2 4.37Å; M33-I45 WeakPolarHBondContact O-CA 3.49Å; I45-K82 HydrophobicContact CG2-CD 4.46Å |
| 46 | V | 95 | Very high | 93.7 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 141.3 | -179.5 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | F32 M33 V35 Q44 V54 L63 | F32-V46 WeakPolarHBondContact CA-O 3.22Å; M33-V46 HydrophobicContact CE-CB 4.3Å; M33-V46 HydrophobicContact CE-CG1 3.94Å; M33-V46 HydrophobicContact CG-CB 4.27Å; M33-V46 WeakPolarHBondContact CG-O 3.32Å; M33-V46 PolarHBondContact N-O 3.15Å; M33-V46 PolarHBondContact O-N 2.66Å; V35-V46 HydrophobicContact CB-CG2 3.89Å; V35-V46 HydrophobicContact CG2-CB 3.71Å; V35-V46 HydrophobicContact CG2-CG2 3.55Å; Q44-V46 PolarHBondContact O-N 3.47Å; V46-V54 HydrophobicContact CG1-CG2 4.25Å; V46-V54 HydrophobicContact CG2-CG1 4.1Å; V46-L63 HydrophobicContact CG2-CD1 4.48Å |
| 47 | F | 96.4 | Very high | 93.5 | Very high | 73 Ų | 73 | 59.7 Ų | 59.7 | 32% | 0.32 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.8 | 173.3 | -177.4 | -118.3 | 0 | 0 | 0 | 111.3 | S30 F32 H49 A50 | S30-F47 VanDerWaalsContact CB-CE2 3.46Å; F32-F47 HydrophobicContact CD1-CB 4.16Å; F32-F47 HydrophobicContact CD1-CD2 4.11Å; F32-F47 HydrophobicContact CE1-CB 3.93Å; F32-F47 AromaticContact CE1-CD2 3.79Å; F32-F47 HydrophobicContact CE1-CD2 3.79Å; F32-F47 HydrophobicContact CE1-CG 4.28Å; F32-F47 HydrophobicContact CE2-CD2 4.3Å; F32-F47 AromaticContact CZ-CD2 3.89Å; F32-F47 HydrophobicContact CZ-CD2 3.89Å; F32-F47 HydrophobicContact CZ-CE2 4.49Å; F47-H49 VanDerWaalsContact CD1-C 3.47Å; F47-H49 HydrophobicContact CD1-CB 4.15Å; F47-H49 HydrophobicContact CE1-CB 3.69Å; F47-H49 HydrophobicContact CZ-CB 4.47Å; F47-H49 PolarHBondContact O-N 3.45Å; F47-H49 VanDerWaalsContact O-N 3.12Å; F47-A50 PolarHBondContact O-N 3.5Å; F47-A50 VanDerWaalsContact O-N 3.15Å |
| 48 | S | 96.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.014 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.3 | -174.6 | 75.2 | 0 | 0 | 0 | 0 | 114.8 | S30 F31 R70 A71 | S30-S48 WeakPolarHBondContact CA-OG 3.43Å; F31-S48 PolarHBondContact N-OG 3.36Å; F31-S48 VanDerWaalsContact O-CB 3.22Å; F31-S48 WeakPolarHBondContact O-CB 3.33Å; F31-S48 PolarHBondContact O-N 2.89Å; F31-S48 PolarHBondContact O-OG 2.86Å; S48-R70 CarbonylContact O-C 3.59Å; S48-R70 VanDerWaalsContact O-CA 3.22Å; S48-R70 WeakPolarHBondContact O-CA 3.48Å; S48-A71 PolarHBondContact O-N 2.91Å |
| 49 | H | 96.3 | Very high | 93.3 | Very high | 57 Ų | 57 | 60.4 Ų | 60.4 | 26% | 0.264 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 43.2 | 176.5 | -54 | 76.9 | 0 | 0 | 0 | 110.3 | S30 F47 Q51 G69 | S30-H49 WeakPolarHBondContact CB-ND1 3.29Å; F47-H49 VanDerWaalsContact CD1-C 3.47Å; F47-H49 HydrophobicContact CD1-CB 4.15Å; F47-H49 HydrophobicContact CE1-CB 3.69Å; F47-H49 HydrophobicContact CZ-CB 4.47Å; F47-H49 PolarHBondContact O-N 3.45Å; F47-H49 VanDerWaalsContact O-N 3.12Å; H49-Q51 PolarHBondContact O-N 3.2Å; H49-G69 WeakPolarHBondContact CB-O 3.49Å; H49-G69 VanDerWaalsContact CD2-C 3.44Å; H49-G69 PolarHBondContact CD2-O 2.95Å |
| 50 | A | 95.3 | Very high | 93.4 | Very high | 8 Ų | 8 | 64.5 Ų | 64.5 | 7% | 0.066 | 36% | 0.359 | C | S | . | . | trans | -54.6 | 128.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F47 V54 A71 | F47-A50 PolarHBondContact O-N 3.5Å; F47-A50 VanDerWaalsContact O-N 3.15Å; A50-V54 HydrophobicContact CB-CG2 4.22Å; A50-A71 HydrophobicContact CB-CB 4.07Å | ||
| 51 | Q | 94.9 | Very high | 93.4 | Very high | 177 Ų | 177 | 69.3 Ų | 69.3 | 83% | 0.827 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -88.6 | -14.3 | 178.4 | -68.3 | -180 | -31.2 | 0 | 0 | 112.8 | H49 P66 | H49-Q51 PolarHBondContact O-N 3.2Å; Q51-P66 WeakPolarHBondContact O-CB 3.49Å |
| 52 | T | 94.5 | Very high | 93.6 | Very high | 99 Ų | 99 | 67.9 Ų | 67.9 | 61% | 0.607 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -112.1 | 155.2 | 178.2 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | V54 | T52-V54 PolarHBondContact O-N 3.03Š|
| 53 | A | 93.9 | Very high | 93.6 | Very high | 53 Ų | 53 | 63 Ų | 63 | 44% | 0.438 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 122.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | I62 C64 | A53-I62 HydrophobicContact CB-CG2 4.4Å; A53-C64 WeakPolarHBondContact CA-O 3.46Å |
| 54 | V | 93.7 | Very high | 93.7 | Very high | 27 Ų | 27 | 57.8 Ų | 57.8 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 125.5 | -179.2 | -178.7 | 0 | 0 | 0 | 0 | 109 | V46 A50 T52 L63 C64 | V46-V54 HydrophobicContact CG1-CG2 4.25Å; V46-V54 HydrophobicContact CG2-CG1 4.1Å; A50-V54 HydrophobicContact CB-CG2 4.22Å; T52-V54 PolarHBondContact O-N 3.03Å; V54-L63 PolarHBondContact O-N 3.26Å; V54-C64 VanDerWaalsContact CB-SG 3.58Å; V54-C64 VanDerWaalsContact CG2-SG 3.5Å; V54-C64 PolarHBondContact N-O 2.97Å |
| 55 | V | 93.6 | Very high | 93.7 | Very high | 65 Ų | 65 | 60.7 Ų | 60.7 | 39% | 0.394 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 136.7 | -176.2 | -179 | 0 | 0 | 0 | 0 | 110 | Q44 D60 | Q44-V55 PolarHBondContact NE2-O 2.86Å; Q44-V55 PolarHBondContact OE1-O 2.99Å; V55-D60 VanDerWaalsContact CG1-CA 3.5Å; V55-D60 HydrophobicContact CG1-CB 4.14Å; V55-D60 WeakPolarHBondContact CG1-O 3.33Å |
| 56 | C | 94 | Very high | 93.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 134.2 | 176.1 | -169.2 | 0 | 0 | 0 | 0 | 110.8 | C37 C40 G58 D60 R61 L63 | C37-C56 HydrophobicContact CB-CB 4.5Å; C37-C56 VanDerWaalsContact CB-SG 3.59Å; C40-C56 PolarHBondContact SG-SG 3.19Å; C56-G58 PolarHBondContact O-N 3.45Å; C56-D60 WeakPolarHBondContact O-CA 3.48Å; C56-D60 PolarHBondContact O-N 3.38Å; C56-R61 WeakPolarHBondContact CB-O 3.32Å; C56-R61 PolarHBondContact N-O 2.73Å; C56-L63 HydrophobicContact CB-CD1 4.13Å; C56-L63 HydrophobicContact CB-CD2 3.89Å; C56-L63 HydrophobicContact CB-CG 3.93Å |
| 57 | P | 91.2 | Very high | 93.8 | Very high | 80 Ų | 80 | 62.1 Ų | 62.1 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 19.8 | -170.7 | 36.8 | -24.3 | 0 | 0 | 0 | 112 | K42 Q44 | K42-P57 PolarHBondContact NZ-O 2.95Å; Q44-P57 HydrophobicContact CG-CG 4.02Å; Q44-P57 VanDerWaalsContact NE2-CG 3.27Å |
| 58 | G | 89.9 | Confident | 93.8 | Very high | 37 Ų | 37 | 63.3 Ų | 63.3 | 38% | 0.381 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.7 | -32.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | C56 | C56-G58 PolarHBondContact O-N 3.45Š|
| 59 | C | 90.6 | Very high | 93.7 | Very high | 43 Ų | 43 | 64.8 Ų | 64.8 | 29% | 0.291 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 7.2 | 179.4 | 59 | 0 | 0 | 0 | 0 | 112.8 | C37 C40 R61 | C37-C59 PolarHBondContact SG-SG 3.06Å; C40-C59 HydrophobicContact CB-CB 4.27Å; C40-C59 VanDerWaalsContact SG-SG 3.65Å; C59-R61 HydrophobicContact CB-CG 4.36Å; C59-R61 PolarHBondContact O-N 3.43Å |
| 60 | D | 90.3 | Very high | 93.7 | Very high | 128 Ų | 128 | 69.7 Ų | 69.7 | 68% | 0.684 | 41% | 0.408 | S | S | * | . | trans | 51.7 | 20 | -178.8 | -57.1 | -42.1 | 0 | 0 | 0 | 115.3 | V55 C56 | V55-D60 VanDerWaalsContact CG1-CA 3.5Å; V55-D60 HydrophobicContact CG1-CB 4.14Å; V55-D60 WeakPolarHBondContact CG1-O 3.33Å; C56-D60 WeakPolarHBondContact O-CA 3.48Å; C56-D60 PolarHBondContact O-N 3.38Å | ||
| 61 | R | 91.5 | Very high | 93.7 | Very high | 141 Ų | 141 | 69.9 Ų | 69.9 | 53% | 0.532 | 41% | 0.41 | S | S | . | . | trans | -77 | 142.9 | 173.4 | -67.6 | -174.5 | -178.2 | 179.6 | -0.4 | 110.4 | C56 C59 L63 | C56-R61 WeakPolarHBondContact CB-O 3.32Å; C56-R61 PolarHBondContact N-O 2.73Å; C59-R61 HydrophobicContact CB-CG 4.36Å; C59-R61 PolarHBondContact O-N 3.43Å; R61-L63 PolarHBondContact O-N 3.39Å | ||
| 62 | I | 92.9 | Very high | 93.7 | Very high | 82 Ų | 82 | 69.4 Ų | 69.4 | 42% | 0.421 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 121.7 | 173.1 | -58.7 | 170.3 | 0 | 0 | 0 | 108.6 | A53 C64 Q65 A74 | A53-I62 HydrophobicContact CB-CG2 4.4Å; I62-C64 WeakPolarHBondContact CG2-O 3.41Å; I62-Q65 HydrophobicContact CG2-CG 4.26Å; I62-A74 WeakPolarHBondContact O-CB 3.43Å |
| 63 | L | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -35.2 | 176.4 | -64.1 | 179.7 | 0 | 0 | 0 | 112.1 | V35 C37 Q44 V46 V54 C56 R61 L73 A74 | V35-L63 HydrophobicContact CG1-CB 4.36Å; V35-L63 HydrophobicContact CG1-CD2 4.42Å; C37-L63 HydrophobicContact CB-CD2 3.8Å; Q44-L63 HydrophobicContact CB-CD1 3.74Å; Q44-L63 HydrophobicContact CG-CD1 4.39Å; V46-L63 HydrophobicContact CG2-CD1 4.48Å; V54-L63 PolarHBondContact O-N 3.26Å; C56-L63 HydrophobicContact CB-CD1 4.13Å; C56-L63 HydrophobicContact CB-CD2 3.89Å; C56-L63 HydrophobicContact CB-CG 3.93Å; R61-L63 PolarHBondContact O-N 3.39Å; L63-L73 WeakPolarHBondContact O-CA 3.21Å; L63-A74 PolarHBondContact O-N 3.29Å |
| 64 | C | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 150.2 | 176.2 | 70.1 | 0 | 0 | 0 | 0 | 113 | A53 V54 I62 A71 R72 L73 | A53-C64 WeakPolarHBondContact CA-O 3.46Å; V54-C64 VanDerWaalsContact CB-SG 3.58Å; V54-C64 VanDerWaalsContact CG2-SG 3.5Å; V54-C64 PolarHBondContact N-O 2.97Å; I62-C64 WeakPolarHBondContact CG2-O 3.41Å; C64-A71 HydrophobicContact CB-CB 4.21Å; C64-R72 CarbonylContact C-O 3.45Å; C64-R72 WeakPolarHBondContact CA-O 3.37Å; C64-R72 WeakPolarHBondContact CB-O 3.49Å; C64-L73 HydrophobicContact CB-CD2 4Å |
| 65 | Q | 94.3 | Very high | 93.5 | Very high | 103 Ų | 103 | 72 Ų | 72 | 48% | 0.481 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 141.6 | 172.6 | -67.8 | 178.9 | -22.3 | 0 | 0 | 110.4 | I62 R72 | I62-Q65 HydrophobicContact CG2-CG 4.26Å; Q65-R72 PolarHBondContact N-O 3.08Å; Q65-R72 PolarHBondContact O-N 3.2Å |
| 66 | P | 96.4 | Very high | 93.3 | Very high | 63 Ų | 63 | 72.1 Ų | 72.1 | 41% | 0.409 | 42% | 0.421 | S | S | . | . | trans | -69.8 | 144.7 | 178 | 30.1 | -34.8 | 0 | 0 | 0 | 111.4 | Q51 | Q51-P66 WeakPolarHBondContact O-CB 3.49Š| ||
| 67 | T | 96.1 | Very high | 93.2 | Very high | 67 Ų | 67 | 73.1 Ų | 73.1 | 41% | 0.411 | 43% | 0.428 | S | S | . | . | trans | -135.2 | 173.5 | 170.3 | 77.6 | 0 | 0 | 0 | 0 | 109.1 | G69 R70 R72 | T67-G69 PolarHBondContact O-N 3.38Å; T67-G69 VanDerWaalsContact O-N 3.13Å; T67-G69 PolarHBondContact OG1-N 3.03Å; T67-G69 VanDerWaalsContact OG1-N 3.15Å; T67-R70 PolarHBondContact OG1-O 3.38Å; T67-R72 HydrophobicContact CG2-CB 4.03Å | ||
| 68 | G | 95.5 | Very high | 93.3 | Very high | 98 Ų | 98 | 72.5 Ų | 72.5 | 100% | 1.01 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -65.1 | -9.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 69 | G | 95 | Very high | 93.5 | Very high | 33 Ų | 33 | 76.9 Ų | 76.9 | 34% | 0.34 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -131.9 | -121.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | H49 T67 | H49-G69 WeakPolarHBondContact CB-O 3.49Å; H49-G69 VanDerWaalsContact CD2-C 3.44Å; H49-G69 PolarHBondContact CD2-O 2.95Å; T67-G69 PolarHBondContact O-N 3.38Å; T67-G69 VanDerWaalsContact O-N 3.13Å; T67-G69 PolarHBondContact OG1-N 3.03Å; T67-G69 VanDerWaalsContact OG1-N 3.15Å |
| 70 | R | 95.3 | Very high | 93.7 | Very high | 159 Ų | 159 | 84 Ų | 84 | 60% | 0.6 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -72.6 | 135.2 | 175.8 | -68.5 | -177.4 | -179.4 | 178.8 | 1.2 | 110 | S48 T67 | S48-R70 CarbonylContact O-C 3.59Å; S48-R70 VanDerWaalsContact O-CA 3.22Å; S48-R70 WeakPolarHBondContact O-CA 3.48Å; T67-R70 PolarHBondContact OG1-O 3.38Å |
| 71 | A | 96.3 | Very high | 94 | Very high | 12 Ų | 12 | 83.3 Ų | 83.3 | 10% | 0.099 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 140.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S48 A50 C64 | S48-A71 PolarHBondContact O-N 2.91Å; A50-A71 HydrophobicContact CB-CB 4.07Å; C64-A71 HydrophobicContact CB-CB 4.21Å |
| 72 | R | 95.5 | Very high | 94.1 | Very high | 167 Ų | 167 | 80.2 Ų | 80.2 | 63% | 0.63 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 119.2 | 176.7 | 177.5 | 179.9 | -80.8 | 175.8 | -6.7 | 108 | C64 Q65 T67 | C64-R72 CarbonylContact C-O 3.45Å; C64-R72 WeakPolarHBondContact CA-O 3.37Å; C64-R72 WeakPolarHBondContact CB-O 3.49Å; Q65-R72 PolarHBondContact N-O 3.08Å; Q65-R72 PolarHBondContact O-N 3.2Å; T67-R72 HydrophobicContact CG2-CB 4.03Å |
| 73 | L | 94.4 | Very high | 93.7 | Very high | 39 Ų | 39 | 81 Ų | 81 | 20% | 0.204 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 147.2 | 173.4 | -65.9 | 177 | 0 | 0 | 0 | 110.1 | M33 V35 L63 C64 Y79 | M33-L73 HydrophobicContact CE-CD2 4.04Å; V35-L73 HydrophobicContact CG1-CD2 4.2Å; V35-L73 HydrophobicContact CG2-CD2 3.85Å; L63-L73 WeakPolarHBondContact O-CA 3.21Å; C64-L73 HydrophobicContact CB-CD2 4Å; L73-Y79 HydrophobicContact CD1-CD1 3.28Å; L73-Y79 HydrophobicContact CD1-CE1 3.94Å; L73-Y79 HydrophobicContact CD1-CG 3.8Å |
| 74 | A | 92.2 | Very high | 92.7 | Very high | 36 Ų | 36 | 90.3 Ų | 90.3 | 30% | 0.298 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 151.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I62 L63 G76 C77 | I62-A74 WeakPolarHBondContact O-CB 3.43Å; L63-A74 PolarHBondContact O-N 3.29Å; A74-G76 PolarHBondContact O-N 3.19Å; A74-C77 VanDerWaalsContact O-CB 3.32Å; A74-C77 WeakPolarHBondContact O-CB 3.45Å; A74-C77 PolarHBondContact O-N 3.06Å; A74-C77 VanDerWaalsContact O-N 3.14Å |
| 75 | D | 89.8 | Confident | 92.6 | Very high | 160 Ų | 160 | 94.9 Ų | 94.9 | 86% | 0.856 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 137.2 | -177.5 | -65.6 | -48.2 | 0 | 0 | 0 | 112 | C77 | D75-C77 PolarHBondContact O-N 2.9Š|
| 76 | G | 89.6 | Confident | 92.5 | Very high | 66 Ų | 66 | 94.4 Ų | 94.4 | 68% | 0.68 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -3.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A74 | A74-G76 PolarHBondContact O-N 3.19Š|
| 77 | C | 91.6 | Very high | 92.3 | Very high | 22 Ų | 22 | 96.2 Ų | 96.2 | 15% | 0.149 | 53% | 0.526 | C | S | . | . | trans | -75.9 | 131.6 | 171.5 | -64.3 | 0 | 0 | 0 | 0 | 110.3 | V35 A74 D75 | V35-C77 HydrophobicContact CG1-CB 3.93Å; A74-C77 VanDerWaalsContact O-CB 3.32Å; A74-C77 WeakPolarHBondContact O-CB 3.45Å; A74-C77 PolarHBondContact O-N 3.06Å; A74-C77 VanDerWaalsContact O-N 3.14Å; D75-C77 PolarHBondContact O-N 2.9Å | ||
| 78 | S | 93.4 | Very high | 92.1 | Very high | 66 Ų | 66 | 97.9 Ų | 97.9 | 46% | 0.462 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 150.7 | 171.5 | 49.2 | 0 | 0 | 0 | 0 | 109.6 | V35 K36 | V35-S78 CarbonylContact C-O 3.47Å; V35-S78 WeakPolarHBondContact CA-O 3.43Å; K36-S78 PolarHBondContact N-O 3.4Å; K36-S78 PolarHBondContact O-N 2.81Å |
| 79 | Y | 94.8 | Very high | 91.8 | Very high | 129 Ų | 129 | 97.9 Ų | 97.9 | 51% | 0.506 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 148 | 177.8 | 78.8 | -82.1 | 0 | 0 | 0 | 112.9 | F31 M33 D34 L73 | F31-Y79 HydrophobicContact CE2-CE2 4.49Å; M33-Y79 HydrophobicContact CB-CD2 3.87Å; M33-Y79 HydrophobicContact CG-CD2 4.36Å; M33-Y79 HydrophobicContact SD-CD2 3.73Å; M33-Y79 HydrophobicContact SD-CE2 4.24Å; M33-Y79 HydrophobicContact SD-CG 4.09Å; D34-Y79 CarbonylContact O-C 3.52Å; D34-Y79 WeakPolarHBondContact O-CA 3.21Å; L73-Y79 HydrophobicContact CD1-CD1 3.28Å; L73-Y79 HydrophobicContact CD1-CE1 3.94Å; L73-Y79 HydrophobicContact CD1-CG 3.8Å |
| 80 | R | 95.4 | Very high | 91.6 | Very high | 192 Ų | 192 | 102.2 Ų | 102.2 | 73% | 0.725 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 131 | 168.4 | -179.1 | -178 | 176.2 | -174.5 | 0.2 | 108.8 | M33 D34 K82 | M33-R80 CarbonylContact C-O 3.51Å; M33-R80 WeakPolarHBondContact CA-O 3.49Å; M33-R80 WeakPolarHBondContact CB-O 3.46Å; D34-R80 PolarHBondContact N-O 3.49Å; D34-R80 PolarHBondContact O-N 2.9Å; R80-K82 PolarHBondContact O-N 2.7Å |
| 81 | K | 95.5 | Very high | 91.4 | Very high | 115 Ų | 115 | 98.1 Ų | 98.1 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 128.5 | 173 | -179.5 | 174.3 | 177.9 | -169.7 | 0 | 109.9 | F31 | F31-K81 HydrophobicContact CB-CD 4.32Å; F31-K81 HydrophobicContact CB-CG 4.25Å; F31-K81 HydrophobicContact CD1-CD 4.29Å; F31-K81 HydrophobicContact CD2-CB 4.31Å; F31-K81 HydrophobicContact CD2-CD 3.92Å; F31-K81 HydrophobicContact CD2-CG 3.63Å; F31-K81 HydrophobicContact CE2-CB 4.44Å; F31-K81 HydrophobicContact CE2-CD 4.27Å; F31-K81 HydrophobicContact CE2-CG 4.16Å; F31-K81 HydrophobicContact CG-CD 3.92Å; F31-K81 HydrophobicContact CG-CG 4Å |
| 82 | K | 93.2 | Very high | 91 | Very high | 75 Ų | 75 | 104.8 Ų | 104.8 | 33% | 0.326 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 142.5 | 170.8 | -72.3 | -157.7 | 173.3 | -162 | 0 | 110.3 | F32 D34 I45 R80 | F32-K82 HydrophobicContact CB-CB 4.45Å; F32-K82 PolarHBondContact O-N 3.06Å; D34-K82 WeakPolarHBondContact OD1-CE 3.44Å; D34-K82 IonicContact OD1-NZ 3.47Å; D34-K82 PolarHBondContact OD1-NZ 3.33Å; D34-K82 WeakPolarHBondContact OD2-CE 3.17Å; I45-K82 HydrophobicContact CG2-CD 4.46Å; R80-K82 PolarHBondContact O-N 2.7Å |
| 83 | A | 86.5 | Confident | 90.6 | Very high | 98 Ų | 98 | 99.6 Ų | 99.6 | 81% | 0.81 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 146.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 84 | K | 71.2 | Confident | 90.3 | Very high | 197 Ų | 197 | 105.1 Ų | 105.1 | 86% | 0.857 | 56% | 0.561 | S | S | * | * | trans | -81.8 | 0 | 167.7 | -74.3 | -173.2 | 177.9 | -175.9 | 0 | 109.2 | P28 | P28-K84 PolarHBondContact O-NZ 3.48Š|
Retrieved 84 of 84 residues in 81.1 ms
(Link to these results)