| 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 | 48.6 | Very low | 82.6 | Confident | 242 Ų | 242 | 124.4 Ų | 124.4 | 100% | 1.192 | 68% | 0.684 | S | S | * | * | 0 | 117.2 | 0 | -69 | -132.6 | -115.5 | 0 | 0 | 108.1 | |||||
| 2 | S | 68 | Low | 83.5 | Confident | 118 Ų | 118 | 118.6 Ų | 118.6 | 83% | 0.825 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 124.2 | 174.7 | 174.7 | 0 | 0 | 0 | 0 | 108.9 | I4 | S2-I4 PolarHBondContact O-N 2.98Š|
| 3 | A | 76.8 | Confident | 84.3 | Confident | 93 Ų | 93 | 118.2 Ų | 118.2 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 117.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | S5 | A3-S5 PolarHBondContact O-N 3.03Š|
| 4 | I | 80.3 | Confident | 85 | Confident | 126 Ų | 126 | 113.6 Ų | 113.6 | 65% | 0.646 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 128.5 | 172.8 | -63.1 | 171.1 | 0 | 0 | 0 | 107.8 | S2 D8 F9 | S2-I4 PolarHBondContact O-N 2.98Å; I4-D8 HydrophobicContact CG2-CB 3.63Å; I4-F9 HydrophobicContact CG2-CB 4.29Å |
| 5 | S | 86.8 | Confident | 85.7 | Confident | 49 Ų | 49 | 109.9 Ų | 109.9 | 34% | 0.343 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 151.9 | 179.9 | 81.9 | 0 | 0 | 0 | 0 | 110.2 | A3 K7 D8 F9 | A3-S5 PolarHBondContact O-N 3.03Å; S5-K7 PolarHBondContact O-N 3.07Å; S5-K7 VanDerWaalsContact O-N 3.07Å; S5-K7 PolarHBondContact OG-N 2.91Å; S5-D8 VanDerWaalsContact CB-OD2 3.27Å; S5-D8 WeakPolarHBondContact CB-OD2 3.4Å; S5-D8 PolarHBondContact N-OD2 3.01Å; S5-D8 PolarHBondContact O-N 3.29Å; S5-D8 PolarHBondContact OG-N 3.45Å; S5-D8 VanDerWaalsContact OG-N 3.13Å; S5-D8 PolarHBondContact OG-OD2 2.92Å; S5-F9 PolarHBondContact O-N 3.41Å |
| 6 | K | 89.1 | Confident | 86.3 | Confident | 196 Ų | 196 | 106.1 Ų | 106.1 | 85% | 0.852 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -53.6 | -31.5 | 174.9 | -70.7 | -176.7 | 179.4 | 179.9 | 0 | 112.3 | A10 | K6-A10 WeakPolarHBondContact O-CB 3.27Å; K6-A10 PolarHBondContact O-N 3.34Å |
| 7 | K | 90.9 | Very high | 86.8 | Confident | 175 Ų | 175 | 105.7 Ų | 105.7 | 76% | 0.761 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.4 | -43.3 | 177.3 | -66.4 | -176.2 | 179.2 | 180 | 0 | 111.7 | S5 F9 A10 S11 | S5-K7 PolarHBondContact O-N 3.07Å; S5-K7 VanDerWaalsContact O-N 3.07Å; S5-K7 PolarHBondContact OG-N 2.91Å; K7-F9 VanDerWaalsContact C-N 3.33Å; K7-A10 PolarHBondContact O-N 3.47Å; K7-S11 WeakPolarHBondContact O-CB 3.36Å; K7-S11 PolarHBondContact O-N 3.45Å |
| 8 | D | 91.6 | Very high | 87.3 | Confident | 94 Ų | 94 | 104.6 Ų | 104.6 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65 | -40.2 | 177.2 | -58 | -37.7 | 0 | 0 | 0 | 110.9 | I4 S5 S11 A12 | I4-D8 HydrophobicContact CG2-CB 3.63Å; S5-D8 VanDerWaalsContact CB-OD2 3.27Å; S5-D8 WeakPolarHBondContact CB-OD2 3.4Å; S5-D8 PolarHBondContact N-OD2 3.01Å; S5-D8 PolarHBondContact O-N 3.29Å; S5-D8 PolarHBondContact OG-N 3.45Å; S5-D8 VanDerWaalsContact OG-N 3.13Å; S5-D8 PolarHBondContact OG-OD2 2.92Å; D8-S11 PolarHBondContact O-N 2.85Å; D8-A12 VanDerWaalsContact O-CB 3.31Å; D8-A12 WeakPolarHBondContact O-CB 3.34Å; D8-A12 PolarHBondContact O-N 2.88Å |
| 9 | F | 90.8 | Very high | 87.8 | Confident | 137 Ų | 137 | 104.2 Ų | 104.2 | 60% | 0.601 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.4 | -46.1 | 174.6 | -173.7 | -92.9 | 0 | 0 | 0 | 112.1 | I4 S5 K7 S11 A12 F13 | I4-F9 HydrophobicContact CG2-CB 4.29Å; S5-F9 PolarHBondContact O-N 3.41Å; K7-F9 VanDerWaalsContact C-N 3.33Å; F9-S11 VanDerWaalsContact C-N 3.33Å; F9-S11 PolarHBondContact O-N 3.34Å; F9-A12 PolarHBondContact O-N 2.62Å; F9-F13 WeakPolarHBondContact O-CB 3.31Å; F9-F13 PolarHBondContact O-N 3.13Å |
| 10 | A | 92.7 | Very high | 88.2 | Confident | 56 Ų | 56 | 104.1 Ų | 104.1 | 46% | 0.463 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.6 | -39.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K6 K7 F13 A14 | K6-A10 WeakPolarHBondContact O-CB 3.27Å; K6-A10 PolarHBondContact O-N 3.34Å; K7-A10 PolarHBondContact O-N 3.47Å; A10-F13 PolarHBondContact O-N 3.34Å; A10-A14 WeakPolarHBondContact O-CB 3.38Å; A10-A14 PolarHBondContact O-N 3.33Å |
| 11 | S | 93.5 | Very high | 88.6 | Confident | 82 Ų | 82 | 103.7 Ų | 103.7 | 57% | 0.573 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.9 | -45.2 | 174.9 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | K7 D8 F9 F13 A14 S15 | K7-S11 WeakPolarHBondContact O-CB 3.36Å; K7-S11 PolarHBondContact O-N 3.45Å; D8-S11 PolarHBondContact O-N 2.85Å; F9-S11 VanDerWaalsContact C-N 3.33Å; F9-S11 PolarHBondContact O-N 3.34Å; S11-F13 VanDerWaalsContact C-N 3.33Å; S11-F13 PolarHBondContact O-N 2.96Å; S11-A14 PolarHBondContact O-N 3.23Å; S11-S15 WeakPolarHBondContact O-CB 3.35Å; S11-S15 PolarHBondContact O-N 3.46Å; S11-S15 PolarHBondContact O-OG 3.47Å; S11-S15 VanDerWaalsContact O-OG 3.08Å |
| 12 | A | 92.9 | Very high | 90.9 | Very high | 55 Ų | 55 | 97.8 Ų | 97.8 | 46% | 0.455 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.3 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D8 F9 S15 A16 | D8-A12 VanDerWaalsContact O-CB 3.31Å; D8-A12 WeakPolarHBondContact O-CB 3.34Å; D8-A12 PolarHBondContact O-N 2.88Å; F9-A12 PolarHBondContact O-N 2.62Å; A12-S15 WeakPolarHBondContact CA-OG 3.44Å; A12-S15 PolarHBondContact O-N 2.93Å; A12-S15 PolarHBondContact O-OG 3.4Å; A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.5Å |
| 13 | F | 94.2 | Very high | 92.2 | Very high | 114 Ų | 114 | 95 Ų | 95 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 176.6 | -176.2 | -101.8 | 0 | 0 | 0 | 112.3 | F9 A10 S11 S15 A16 Q17 | F9-F13 WeakPolarHBondContact O-CB 3.31Å; F9-F13 PolarHBondContact O-N 3.13Å; A10-F13 PolarHBondContact O-N 3.34Å; S11-F13 VanDerWaalsContact C-N 3.33Å; S11-F13 PolarHBondContact O-N 2.96Å; F13-S15 VanDerWaalsContact C-N 3.32Å; F13-S15 PolarHBondContact O-N 2.87Å; F13-A16 PolarHBondContact O-N 3.4Å; F13-Q17 HydrophobicContact CD1-CG 4.24Å; F13-Q17 HydrophobicContact CE1-CG 3.89Å; F13-Q17 HydrophobicContact CE2-CG 4.48Å; F13-Q17 HydrophobicContact CZ-CG 4.01Å; F13-Q17 VanDerWaalsContact CZ-NE2 3.29Å; F13-Q17 WeakPolarHBondContact O-CG 3.46Å; F13-Q17 PolarHBondContact O-N 3.48Å |
| 14 | A | 94.6 | Very high | 93.1 | Very high | 54 Ų | 54 | 98.7 Ų | 98.7 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A10 S11 Q17 L18 | A10-A14 WeakPolarHBondContact O-CB 3.38Å; A10-A14 PolarHBondContact O-N 3.33Å; S11-A14 PolarHBondContact O-N 3.23Å; A14-Q17 PolarHBondContact O-N 2.94Å; A14-L18 PolarHBondContact O-N 3.32Å |
| 15 | S | 95.1 | Very high | 93.9 | Very high | 58 Ų | 58 | 99 Ų | 99 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 175.8 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | S11 A12 F13 L18 N19 | S11-S15 WeakPolarHBondContact O-CB 3.35Å; S11-S15 PolarHBondContact O-N 3.46Å; S11-S15 PolarHBondContact O-OG 3.47Å; S11-S15 VanDerWaalsContact O-OG 3.08Å; A12-S15 WeakPolarHBondContact CA-OG 3.44Å; A12-S15 PolarHBondContact O-N 2.93Å; A12-S15 PolarHBondContact O-OG 3.4Å; F13-S15 VanDerWaalsContact C-N 3.32Å; F13-S15 PolarHBondContact O-N 2.87Å; S15-L18 PolarHBondContact O-N 3.08Å; S15-N19 VanDerWaalsContact O-CG 3.28Å; S15-N19 PolarHBondContact O-N 2.87Å; S15-N19 PolarHBondContact O-ND2 2.94Å |
| 16 | A | 94.6 | Very high | 94.4 | Very high | 49 Ų | 49 | 103.6 Ų | 103.6 | 41% | 0.405 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | A12 F13 L18 N19 V20 | A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.5Å; F13-A16 PolarHBondContact O-N 3.4Å; A16-L18 PolarHBondContact O-N 3.12Å; A16-N19 PolarHBondContact O-N 3.04Å; A16-V20 WeakPolarHBondContact O-CG2 3.37Å; A16-V20 PolarHBondContact O-N 3.36Å |
| 17 | Q | 95.7 | Very high | 94.7 | Very high | 99 Ų | 99 | 99 Ų | 99 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.3 | -46.7 | 175.3 | -75.4 | -172.4 | -39.5 | 0 | 0 | 111.8 | F13 A14 N19 V20 E21 | F13-Q17 HydrophobicContact CD1-CG 4.24Å; F13-Q17 HydrophobicContact CE1-CG 3.89Å; F13-Q17 HydrophobicContact CE2-CG 4.48Å; F13-Q17 HydrophobicContact CZ-CG 4.01Å; F13-Q17 VanDerWaalsContact CZ-NE2 3.29Å; F13-Q17 WeakPolarHBondContact O-CG 3.46Å; F13-Q17 PolarHBondContact O-N 3.48Å; A14-Q17 PolarHBondContact O-N 2.94Å; Q17-N19 VanDerWaalsContact C-N 3.3Å; Q17-N19 PolarHBondContact O-N 2.86Å; Q17-V20 PolarHBondContact O-N 3.2Å; Q17-E21 PolarHBondContact O-N 3.39Å |
| 18 | L | 96 | Very high | 95 | Very high | 86 Ų | 86 | 95.5 Ų | 95.5 | 45% | 0.45 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 176.8 | -177.8 | 66.2 | 0 | 0 | 0 | 112.2 | A14 S15 A16 E21 K22 | A14-L18 PolarHBondContact O-N 3.32Å; S15-L18 PolarHBondContact O-N 3.08Å; A16-L18 PolarHBondContact O-N 3.12Å; L18-E21 PolarHBondContact O-N 2.99Å; L18-K22 HydrophobicContact CG-CD 4.4Å; L18-K22 WeakPolarHBondContact O-CB 3.38Å; L18-K22 VanDerWaalsContact O-CG 3.3Å; L18-K22 WeakPolarHBondContact O-CG 3.35Å; L18-K22 PolarHBondContact O-N 3.49Å |
| 19 | N | 96 | Very high | 95.2 | Very high | 97 Ų | 97 | 99.5 Ų | 99.5 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 178.3 | -72.7 | -19.7 | 0 | 0 | 0 | 111.9 | S15 A16 Q17 K22 A23 | S15-N19 VanDerWaalsContact O-CG 3.28Å; S15-N19 PolarHBondContact O-N 2.87Å; S15-N19 PolarHBondContact O-ND2 2.94Å; A16-N19 PolarHBondContact O-N 3.04Å; Q17-N19 VanDerWaalsContact C-N 3.3Å; Q17-N19 PolarHBondContact O-N 2.86Å; N19-K22 PolarHBondContact O-N 3.47Å; N19-A23 WeakPolarHBondContact O-CB 3.3Å; N19-A23 PolarHBondContact O-N 3.26Å |
| 20 | V | 96.8 | Very high | 95.4 | Very high | 101 Ų | 101 | 98.3 Ų | 98.3 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | 175 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | A16 Q17 K22 A23 R24 | A16-V20 WeakPolarHBondContact O-CG2 3.37Å; A16-V20 PolarHBondContact O-N 3.36Å; Q17-V20 PolarHBondContact O-N 3.2Å; V20-K22 PolarHBondContact O-N 3.46Å; V20-A23 PolarHBondContact O-N 3.39Å; V20-R24 WeakPolarHBondContact O-CB 3.46Å; V20-R24 PolarHBondContact O-N 3Å |
| 21 | E | 95.8 | Very high | 95.5 | Very high | 96 Ų | 96 | 101 Ų | 101 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.8 | -75.4 | -170.3 | -172.5 | 0 | 0 | 112.6 | Q17 L18 R24 R25 | Q17-E21 PolarHBondContact O-N 3.39Å; L18-E21 PolarHBondContact O-N 2.99Å; E21-R24 PolarHBondContact O-N 3.29Å; E21-R25 WeakPolarHBondContact O-CG 3.39Å; E21-R25 PolarHBondContact O-N 2.96Å; E21-R25 IonicContact OE2-NH2 3.12Å; E21-R25 PolarHBondContact OE2-NH2 3.38Å; E21-R25 VanDerWaalsContact OE2-NH2 3.12Å |
| 22 | K | 96.4 | Very high | 95.5 | Very high | 119 Ų | 119 | 100.1 Ų | 100.1 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.2 | -76.2 | 174.7 | -179.4 | 176.6 | 0 | 111.5 | L18 N19 V20 R24 R25 Y26 | L18-K22 HydrophobicContact CG-CD 4.4Å; L18-K22 WeakPolarHBondContact O-CB 3.38Å; L18-K22 VanDerWaalsContact O-CG 3.3Å; L18-K22 WeakPolarHBondContact O-CG 3.35Å; L18-K22 PolarHBondContact O-N 3.49Å; N19-K22 PolarHBondContact O-N 3.47Å; V20-K22 PolarHBondContact O-N 3.46Å; K22-R24 VanDerWaalsContact C-N 3.35Å; K22-R24 PolarHBondContact O-N 2.89Å; K22-R25 PolarHBondContact O-N 3.34Å; K22-Y26 WeakPolarHBondContact O-CB 3.37Å; K22-Y26 PolarHBondContact O-N 3.24Å |
| 23 | A | 96.1 | Very high | 95.6 | Very high | 60 Ų | 60 | 100.2 Ų | 100.2 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N19 V20 Y26 L27 | N19-A23 WeakPolarHBondContact O-CB 3.3Å; N19-A23 PolarHBondContact O-N 3.26Å; V20-A23 PolarHBondContact O-N 3.39Å; A23-Y26 WeakPolarHBondContact O-CB 3.49Å; A23-Y26 PolarHBondContact O-N 3.39Å; A23-L27 WeakPolarHBondContact O-CB 3.33Å; A23-L27 PolarHBondContact O-N 2.89Å |
| 24 | R | 96.6 | Very high | 95.5 | Very high | 170 Ų | 170 | 99.4 Ų | 99.4 | 64% | 0.642 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.3 | -47.5 | 176 | -176.3 | 178.9 | 177.6 | 169.7 | 1.9 | 112 | V20 E21 K22 Y26 L27 Q28 | V20-R24 WeakPolarHBondContact O-CB 3.46Å; V20-R24 PolarHBondContact O-N 3Å; E21-R24 PolarHBondContact O-N 3.29Å; K22-R24 VanDerWaalsContact C-N 3.35Å; K22-R24 PolarHBondContact O-N 2.89Å; R24-Y26 VanDerWaalsContact C-N 3.31Å; R24-Y26 PolarHBondContact O-N 3.12Å; R24-L27 PolarHBondContact O-N 3.01Å; R24-Q28 WeakPolarHBondContact O-CG 3.4Å; R24-Q28 PolarHBondContact O-N 3.43Å |
| 25 | R | 96.4 | Very high | 95.3 | Very high | 133 Ų | 133 | 99.5 Ų | 99.5 | 50% | 0.502 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 176.9 | -70.4 | 178.3 | -163.5 | 164.2 | 12.6 | 111.7 | E21 K22 R29 | E21-R25 WeakPolarHBondContact O-CG 3.39Å; E21-R25 PolarHBondContact O-N 2.96Å; E21-R25 IonicContact OE2-NH2 3.12Å; E21-R25 PolarHBondContact OE2-NH2 3.38Å; E21-R25 VanDerWaalsContact OE2-NH2 3.12Å; K22-R25 PolarHBondContact O-N 3.34Å; R25-R29 WeakPolarHBondContact O-CG 3.5Å; R25-R29 PolarHBondContact O-N 3.45Å; R25-R29 VanDerWaalsContact O-N 3.12Å |
| 26 | Y | 96.8 | Very high | 95.3 | Very high | 145 Ų | 145 | 100.4 Ų | 100.4 | 57% | 0.569 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.2 | -48.1 | 175.7 | 179.9 | -96 | 0 | 0 | 0 | 111.6 | K22 A23 R24 Q28 R29 K30 | K22-Y26 WeakPolarHBondContact O-CB 3.37Å; K22-Y26 PolarHBondContact O-N 3.24Å; A23-Y26 WeakPolarHBondContact O-CB 3.49Å; A23-Y26 PolarHBondContact O-N 3.39Å; R24-Y26 VanDerWaalsContact C-N 3.31Å; R24-Y26 PolarHBondContact O-N 3.12Å; Y26-Q28 PolarHBondContact O-N 3.48Å; Y26-R29 PolarHBondContact O-N 2.91Å; Y26-K30 HydrophobicContact CD1-CG 4.15Å; Y26-K30 HydrophobicContact CE1-CG 3.73Å; Y26-K30 HydrophobicContact CE2-CG 4.36Å; Y26-K30 WeakPolarHBondContact O-CG 3.36Å; Y26-K30 PolarHBondContact O-N 3.25Å; Y26-K30 WeakPolarHBondContact OH-CE 3.3Å |
| 27 | L | 96 | Very high | 95.3 | Very high | 99 Ų | 99 | 100.3 Ų | 100.3 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 177.6 | -177.6 | 65.2 | 0 | 0 | 0 | 111.5 | A23 R24 R29 K30 Q31 | A23-L27 WeakPolarHBondContact O-CB 3.33Å; A23-L27 PolarHBondContact O-N 2.89Å; R24-L27 PolarHBondContact O-N 3.01Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.37Å; L27-K30 PolarHBondContact O-N 3.21Å; L27-K30 VanDerWaalsContact O-N 3.12Å; L27-Q31 HydrophobicContact CD1-CG 4.47Å; L27-Q31 WeakPolarHBondContact O-CG 3.46Å; L27-Q31 PolarHBondContact O-N 3.17Å |
| 28 | Q | 95.8 | Very high | 95.2 | Very high | 101 Ų | 101 | 97.4 Ų | 97.4 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58 | -43.9 | 177.3 | -74.8 | 176.3 | -25.1 | 0 | 0 | 112.5 | R24 Y26 K30 Q31 A32 | R24-Q28 WeakPolarHBondContact O-CG 3.4Å; R24-Q28 PolarHBondContact O-N 3.43Å; Y26-Q28 PolarHBondContact O-N 3.48Å; Q28-K30 VanDerWaalsContact C-N 3.34Å; Q28-K30 PolarHBondContact O-N 3.01Å; Q28-Q31 PolarHBondContact O-N 3.45Å; Q28-A32 PolarHBondContact O-N 3.34Å |
| 29 | R | 96.8 | Very high | 94.9 | Very high | 178 Ų | 178 | 98.8 Ų | 98.8 | 67% | 0.672 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.5 | -38.7 | 176.3 | -70.1 | 175.7 | -165.4 | 173.1 | 1.9 | 112.1 | R25 Y26 L27 A33 | R25-R29 WeakPolarHBondContact O-CG 3.5Å; R25-R29 PolarHBondContact O-N 3.45Å; R25-R29 VanDerWaalsContact O-N 3.12Å; Y26-R29 PolarHBondContact O-N 2.91Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-R29 PolarHBondContact O-N 3.37Å; R29-A33 VanDerWaalsContact O-CB 3.3Å; R29-A33 WeakPolarHBondContact O-CB 3.39Å; R29-A33 PolarHBondContact O-N 3.46Å |
| 30 | K | 96 | Very high | 94.9 | Very high | 112 Ų | 112 | 97.7 Ų | 97.7 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.1 | -38.2 | 178.2 | -72.4 | -59.5 | -170.4 | 178.2 | 0 | 112.4 | Y26 L27 Q28 A33 L34 | Y26-K30 HydrophobicContact CD1-CG 4.15Å; Y26-K30 HydrophobicContact CE1-CG 3.73Å; Y26-K30 HydrophobicContact CE2-CG 4.36Å; Y26-K30 WeakPolarHBondContact O-CG 3.36Å; Y26-K30 PolarHBondContact O-N 3.25Å; Y26-K30 WeakPolarHBondContact OH-CE 3.3Å; L27-K30 PolarHBondContact O-N 3.21Å; L27-K30 VanDerWaalsContact O-N 3.12Å; Q28-K30 VanDerWaalsContact C-N 3.34Å; Q28-K30 PolarHBondContact O-N 3.01Å; K30-A33 PolarHBondContact O-N 3.42Å; K30-L34 WeakPolarHBondContact O-CB 3.48Å; K30-L34 PolarHBondContact O-N 2.97Å |
| 31 | Q | 93.5 | Very high | 94.7 | Very high | 113 Ų | 113 | 95.7 Ų | 95.7 | 53% | 0.528 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 173.5 | -72.6 | 173.2 | -30.8 | 0 | 0 | 111.6 | L27 Q28 A33 L34 A35 | L27-Q31 HydrophobicContact CD1-CG 4.47Å; L27-Q31 WeakPolarHBondContact O-CG 3.46Å; L27-Q31 PolarHBondContact O-N 3.17Å; Q28-Q31 PolarHBondContact O-N 3.45Å; Q31-A33 VanDerWaalsContact C-N 3.34Å; Q31-A33 PolarHBondContact O-N 2.88Å; Q31-L34 PolarHBondContact O-N 3.07Å; Q31-A35 PolarHBondContact O-N 3.48Å |
| 32 | A | 93.4 | Very high | 94.5 | Very high | 64 Ų | 64 | 95 Ų | 95 | 53% | 0.529 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q28 L34 A35 E36 | Q28-A32 PolarHBondContact O-N 3.34Å; A32-L34 VanDerWaalsContact C-N 3.34Å; A32-A35 PolarHBondContact O-N 2.99Å; A32-E36 WeakPolarHBondContact O-CB 3.42Å; A32-E36 PolarHBondContact O-N 3.25Å |
| 33 | A | 95.1 | Very high | 94.2 | Very high | 57 Ų | 57 | 93.4 Ų | 93.4 | 47% | 0.471 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R29 K30 Q31 A37 | R29-A33 VanDerWaalsContact O-CB 3.3Å; R29-A33 WeakPolarHBondContact O-CB 3.39Å; R29-A33 PolarHBondContact O-N 3.46Å; K30-A33 PolarHBondContact O-N 3.42Å; Q31-A33 VanDerWaalsContact C-N 3.34Å; Q31-A33 PolarHBondContact O-N 2.88Å; A33-A37 WeakPolarHBondContact O-CB 3.45Å; A33-A37 PolarHBondContact O-N 3.4Å |
| 34 | L | 92.9 | Very high | 94.1 | Very high | 96 Ų | 96 | 97.1 Ų | 97.1 | 50% | 0.503 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.1 | -50 | 174.9 | -179.9 | 65.1 | 0 | 0 | 0 | 110.7 | K30 Q31 A32 E36 A37 E38 | K30-L34 WeakPolarHBondContact O-CB 3.48Å; K30-L34 PolarHBondContact O-N 2.97Å; Q31-L34 PolarHBondContact O-N 3.07Å; A32-L34 VanDerWaalsContact C-N 3.34Å; L34-E36 VanDerWaalsContact C-N 3.29Å; L34-E36 PolarHBondContact O-N 2.88Å; L34-A37 WeakPolarHBondContact O-CB 3.46Å; L34-A37 PolarHBondContact O-N 2.94Å; L34-A37 VanDerWaalsContact O-N 3.08Å; L34-E38 HydrophobicContact CD1-CG 4.49Å; L34-E38 WeakPolarHBondContact O-CG 3.34Å; L34-E38 PolarHBondContact O-N 3.23Å |
| 35 | A | 90.7 | Very high | 94 | Very high | 56 Ų | 56 | 89.4 Ų | 89.4 | 46% | 0.463 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.4 | -41 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q31 A32 E38 R39 | Q31-A35 PolarHBondContact O-N 3.48Å; A32-A35 PolarHBondContact O-N 2.99Å; A35-E38 PolarHBondContact O-N 2.88Å; A35-R39 PolarHBondContact O-N 3.12Å |
| 36 | E | 93.8 | Very high | 93.7 | Very high | 77 Ų | 77 | 86.5 Ų | 86.5 | 36% | 0.36 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.9 | -37.2 | 176 | 177.8 | 56.3 | -163.9 | 0 | 0 | 112.4 | A32 L34 R39 Q40 | A32-E36 WeakPolarHBondContact O-CB 3.42Å; A32-E36 PolarHBondContact O-N 3.25Å; L34-E36 VanDerWaalsContact C-N 3.29Å; L34-E36 PolarHBondContact O-N 2.88Å; E36-R39 IonicContact OE1-CZ 3.89Å; E36-R39 IonicContact OE1-NE 3.78Å; E36-R39 IonicContact OE1-NH2 3.94Å; E36-R39 PolarHBondContact OE1-NH2 2.97Å; E36-R39 IonicContact OE2-CZ 3Å; E36-R39 IonicContact OE2-NE 2.64Å; E36-R39 PolarHBondContact OE2-NE 3.44Å; E36-R39 IonicContact OE2-NH2 2.88Å; E36-R39 PolarHBondContact OE2-NH2 3.36Å; E36-Q40 VanDerWaalsContact O-CG 3.3Å; E36-Q40 WeakPolarHBondContact O-CG 3.36Å; E36-Q40 PolarHBondContact O-N 3.12Å; E36-Q40 PolarHBondContact OE1-NE2 3.35Å |
| 37 | A | 94.7 | Very high | 93.4 | Very high | 48 Ų | 48 | 84.6 Ų | 84.6 | 40% | 0.397 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A33 L34 Q40 V41 | A33-A37 WeakPolarHBondContact O-CB 3.45Å; A33-A37 PolarHBondContact O-N 3.4Å; L34-A37 WeakPolarHBondContact O-CB 3.46Å; L34-A37 PolarHBondContact O-N 2.94Å; L34-A37 VanDerWaalsContact O-N 3.08Å; A37-Q40 PolarHBondContact O-N 2.97Å; A37-V41 WeakPolarHBondContact O-CG2 3.48Å; A37-V41 PolarHBondContact O-N 3.38Å |
| 38 | E | 93.2 | Very high | 93.2 | Very high | 38 Ų | 38 | 82.9 Ų | 82.9 | 18% | 0.178 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 176.8 | -71.7 | 173.6 | 172.2 | 0 | 0 | 111.5 | L34 A35 Q40 V41 Y42 S99 S101 | L34-E38 HydrophobicContact CD1-CG 4.49Å; L34-E38 WeakPolarHBondContact O-CG 3.34Å; L34-E38 PolarHBondContact O-N 3.23Å; A35-E38 PolarHBondContact O-N 2.88Å; E38-Q40 VanDerWaalsContact C-N 3.33Å; E38-Q40 PolarHBondContact O-N 3.23Å; E38-V41 PolarHBondContact O-N 3.24Å; E38-Y42 PolarHBondContact O-N 3.39Å; E38-S99 WeakPolarHBondContact OE1-CB 3.26Å; E38-S99 PolarHBondContact OE1-OG 3.01Å; E38-S101 PolarHBondContact OE1-OG 2.99Å; E38-S101 PolarHBondContact OE2-OG 3.04Å |
| 39 | R | 91.2 | Very high | 92.9 | Very high | 114 Ų | 114 | 78.8 Ų | 78.8 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 173.3 | -170.4 | -173.7 | 70.9 | 80.3 | 4.3 | 112 | A35 E36 V41 Y42 E43 | A35-R39 PolarHBondContact O-N 3.12Å; E36-R39 IonicContact OE1-CZ 3.89Å; E36-R39 IonicContact OE1-NE 3.78Å; E36-R39 IonicContact OE1-NH2 3.94Å; E36-R39 PolarHBondContact OE1-NH2 2.97Å; E36-R39 IonicContact OE2-CZ 3Å; E36-R39 IonicContact OE2-NE 2.64Å; E36-R39 PolarHBondContact OE2-NE 3.44Å; E36-R39 IonicContact OE2-NH2 2.88Å; E36-R39 PolarHBondContact OE2-NH2 3.36Å; R39-V41 PolarHBondContact O-N 3.42Å; R39-Y42 PolarHBondContact O-N 3.05Å; R39-E43 IonicContact CZ-OE1 3.07Å; R39-E43 IonicContact CZ-OE2 2.73Å; R39-E43 IonicContact NH1-OE1 2.9Å; R39-E43 PolarHBondContact NH1-OE1 3.44Å; R39-E43 IonicContact NH1-OE2 3.29Å; R39-E43 PolarHBondContact NH1-OE2 3.27Å; R39-E43 WeakPolarHBondContact O-CG 3.41Å; R39-E43 PolarHBondContact O-N 2.91Å |
| 40 | Q | 94.8 | Very high | 92.5 | Very high | 75 Ų | 75 | 72.8 Ų | 72.8 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.8 | -36.1 | 178.5 | -73.9 | 179.3 | 26.9 | 0 | 0 | 113 | E36 A37 E38 K44 | E36-Q40 VanDerWaalsContact O-CG 3.3Å; E36-Q40 WeakPolarHBondContact O-CG 3.36Å; E36-Q40 PolarHBondContact O-N 3.12Å; E36-Q40 PolarHBondContact OE1-NE2 3.35Å; A37-Q40 PolarHBondContact O-N 2.97Å; E38-Q40 VanDerWaalsContact C-N 3.33Å; E38-Q40 PolarHBondContact O-N 3.23Å; Q40-K44 VanDerWaalsContact O-CB 3.28Å; Q40-K44 WeakPolarHBondContact O-CB 3.1Å; Q40-K44 VanDerWaalsContact O-CG 3.25Å; Q40-K44 WeakPolarHBondContact O-CG 3.35Å; Q40-K44 PolarHBondContact O-N 2.73Å |
| 41 | V | 93.7 | Very high | 92.1 | Very high | 59 Ų | 59 | 73.4 Ų | 73.4 | 36% | 0.358 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63 | -48.6 | 174 | 168.8 | 0 | 0 | 0 | 0 | 109.6 | A37 E38 R39 E43 K44 E45 F95 | A37-V41 WeakPolarHBondContact O-CG2 3.48Å; A37-V41 PolarHBondContact O-N 3.38Å; E38-V41 PolarHBondContact O-N 3.24Å; R39-V41 PolarHBondContact O-N 3.42Å; V41-E43 PolarHBondContact O-N 3.44Å; V41-K44 PolarHBondContact O-N 3.01Å; V41-E45 WeakPolarHBondContact O-CB 3.09Å; V41-E45 PolarHBondContact O-N 3.25Å; V41-F95 HydrophobicContact CG1-CB 3.72Å |
| 42 | Y | 90.8 | Very high | 91.7 | Very high | 80 Ų | 80 | 71.2 Ų | 71.2 | 31% | 0.314 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57 | -46.5 | 179 | -170.4 | -88.8 | 0 | 0 | 0 | 112.2 | E38 R39 E46 D90 R93 S96 | E38-Y42 PolarHBondContact O-N 3.39Å; R39-Y42 PolarHBondContact O-N 3.05Å; Y42-E46 PolarHBondContact O-N 3.25Å; Y42-E46 VanDerWaalsContact O-N 3.09Å; Y42-D90 PolarHBondContact OH-OD1 3.45Å; Y42-R93 VanDerWaalsContact CE2-CD 3.42Å; Y42-R93 VanDerWaalsContact CZ-CZ 3.41Å; Y42-R93 PolarHBondContact O-NH1 3.38Å; Y42-R93 PolarHBondContact OH-NE 3.44Å; Y42-S96 WeakPolarHBondContact CA-OG 3.36Å |
| 43 | E | 91 | Very high | 91.3 | Very high | 87 Ų | 87 | 73.7 Ų | 73.7 | 41% | 0.407 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 179 | -72.3 | 175.3 | 179.9 | 0 | 0 | 112.7 | R39 V41 E45 E46 N47 | R39-E43 IonicContact CZ-OE1 3.07Å; R39-E43 IonicContact CZ-OE2 2.73Å; R39-E43 IonicContact NH1-OE1 2.9Å; R39-E43 PolarHBondContact NH1-OE1 3.44Å; R39-E43 IonicContact NH1-OE2 3.29Å; R39-E43 PolarHBondContact NH1-OE2 3.27Å; R39-E43 WeakPolarHBondContact O-CG 3.41Å; R39-E43 PolarHBondContact O-N 2.91Å; V41-E43 PolarHBondContact O-N 3.44Å; E43-E45 VanDerWaalsContact C-N 3.34Å; E43-E46 PolarHBondContact O-N 3.37Å; E43-N47 PolarHBondContact O-N 2.87Å; E43-N47 VanDerWaalsContact O-N 3.15Å; E43-N47 PolarHBondContact O-ND2 3.42Å |
| 44 | K | 93.8 | Very high | 90.6 | Very high | 137 Ų | 137 | 77.8 Ų | 77.8 | 60% | 0.596 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.1 | -38 | 178.6 | -76.2 | 174.7 | 179.1 | 171.8 | 0 | 111.9 | Q40 V41 N47 Y48 | Q40-K44 VanDerWaalsContact O-CB 3.28Å; Q40-K44 WeakPolarHBondContact O-CB 3.1Å; Q40-K44 VanDerWaalsContact O-CG 3.25Å; Q40-K44 WeakPolarHBondContact O-CG 3.35Å; Q40-K44 PolarHBondContact O-N 2.73Å; V41-K44 PolarHBondContact O-N 3.01Å; K44-N47 PolarHBondContact O-N 3.11Å; K44-Y48 VanDerWaalsContact O-CB 3.27Å; K44-Y48 WeakPolarHBondContact O-CB 3.45Å; K44-Y48 PolarHBondContact O-N 3.35Å |
| 45 | E | 93.3 | Very high | 90.1 | Very high | 8 Ų | 8 | 76.1 Ų | 76.1 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 177 | -175 | 165.5 | -143.3 | 0 | 0 | 111.2 | V41 E43 Y48 L49 R93 L94 F95 S96 | V41-E45 WeakPolarHBondContact O-CB 3.09Å; V41-E45 PolarHBondContact O-N 3.25Å; E43-E45 VanDerWaalsContact C-N 3.34Å; E45-Y48 PolarHBondContact O-N 3.3Å; E45-L49 HydrophobicContact CG-CD1 3.77Å; E45-L49 HydrophobicContact CG-CG 4.32Å; E45-L49 WeakPolarHBondContact O-CB 3.3Å; E45-L49 VanDerWaalsContact O-CG 3.23Å; E45-L49 WeakPolarHBondContact O-CG 3.06Å; E45-L49 PolarHBondContact O-N 3.4Å; E45-R93 HydrophobicContact CG-CB 4.34Å; E45-R93 HydrophobicContact CG-CG 4.3Å; E45-R93 WeakPolarHBondContact OE1-CA 3.48Å; E45-R93 WeakPolarHBondContact OE2-CA 3.22Å; E45-R93 WeakPolarHBondContact OE2-CB 3.15Å; E45-L94 PolarHBondContact OE1-N 3.09Å; E45-F95 HydrophobicContact CG-CD2 4.42Å; E45-F95 VanDerWaalsContact OE1-CD2 3.27Å; E45-F95 WeakPolarHBondContact OE1-CD2 3.38Å; E45-F95 PolarHBondContact OE1-N 3.49Å; E45-S96 WeakPolarHBondContact OE2-CB 3.5Å; E45-S96 PolarHBondContact OE2-N 2.97Å; E45-S96 PolarHBondContact OE2-OG 3.29Å |
| 46 | E | 90.1 | Very high | 89.8 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 34% | 0.341 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.5 | -50.9 | 173.5 | -169.3 | 164.4 | 173.3 | 0 | 0 | 111.9 | Y42 E43 Y48 L49 A50 V88 R93 | Y42-E46 PolarHBondContact O-N 3.25Å; Y42-E46 VanDerWaalsContact O-N 3.09Å; E43-E46 PolarHBondContact O-N 3.37Å; E46-Y48 PolarHBondContact O-N 3.47Å; E46-L49 PolarHBondContact O-N 3.23Å; E46-A50 VanDerWaalsContact O-CB 3.29Å; E46-A50 WeakPolarHBondContact O-CB 3.42Å; E46-A50 PolarHBondContact O-N 2.78Å; E46-V88 HydrophobicContact CG-CB 4.48Å; E46-V88 HydrophobicContact CG-CG2 4.21Å; E46-R93 IonicContact OE1-NH2 2.89Å; E46-R93 IonicContact OE2-CZ 3.77Å; E46-R93 IonicContact OE2-NH2 3.65Å; E46-R93 PolarHBondContact OE2-NH2 3.04Å |
| 47 | N | 91.1 | Very high | 89.5 | Confident | 104 Ų | 104 | 70.2 Ų | 70.2 | 56% | 0.556 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | -177.9 | -69.3 | -37.4 | 0 | 0 | 0 | 111 | E43 K44 A50 E51 | E43-N47 PolarHBondContact O-N 2.87Å; E43-N47 VanDerWaalsContact O-N 3.15Å; E43-N47 PolarHBondContact O-ND2 3.42Å; K44-N47 PolarHBondContact O-N 3.11Å; N47-A50 PolarHBondContact O-N 2.92Å; N47-E51 WeakPolarHBondContact O-CB 3.28Å; N47-E51 PolarHBondContact O-N 3.08Å |
| 48 | Y | 91.5 | Very high | 89.2 | Confident | 63 Ų | 63 | 72.6 Ų | 72.6 | 25% | 0.247 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 177.6 | 173.2 | -102 | 0 | 0 | 0 | 112 | K44 E45 E46 A50 E51 F52 T57 V58 | K44-Y48 VanDerWaalsContact O-CB 3.27Å; K44-Y48 WeakPolarHBondContact O-CB 3.45Å; K44-Y48 PolarHBondContact O-N 3.35Å; E45-Y48 PolarHBondContact O-N 3.3Å; E46-Y48 PolarHBondContact O-N 3.47Å; Y48-A50 VanDerWaalsContact C-N 3.34Å; Y48-A50 PolarHBondContact O-N 3.33Å; Y48-E51 PolarHBondContact O-N 2.55Å; Y48-F52 AromaticContact CD2-CD2 3.34Å; Y48-F52 HydrophobicContact CD2-CD2 3.34Å; Y48-F52 AromaticContact CD2-CE2 3.6Å; Y48-F52 HydrophobicContact CD2-CE2 3.6Å; Y48-F52 HydrophobicContact CD2-CG 4.41Å; Y48-F52 AromaticContact CE2-CD2 3.4Å; Y48-F52 HydrophobicContact CE2-CD2 3.4Å; Y48-F52 AromaticContact CE2-CE2 3.78Å; Y48-F52 HydrophobicContact CE2-CE2 3.78Å; Y48-F52 HydrophobicContact CE2-CG 4.1Å; Y48-F52 HydrophobicContact CG-CD2 4.19Å; Y48-F52 VanDerWaalsContact O-CD2 3.31Å; Y48-F52 WeakPolarHBondContact O-CD2 3.34Å; Y48-F52 PolarHBondContact O-N 3.03Å; Y48-F52 VanDerWaalsContact O-N 3.08Å; Y48-T57 HydrophobicContact CE1-CG2 4.15Å; Y48-V58 PolarHBondContact OH-N 3.01Å |
| 49 | L | 90.2 | Very high | 88.9 | Confident | 15 Ų | 15 | 72.9 Ų | 72.9 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.1 | -35.2 | -177.7 | -67.8 | 175.9 | 0 | 0 | 0 | 112.2 | E45 E46 E53 T57 I59 V88 N92 | E45-L49 HydrophobicContact CG-CD1 3.77Å; E45-L49 HydrophobicContact CG-CG 4.32Å; E45-L49 WeakPolarHBondContact O-CB 3.3Å; E45-L49 VanDerWaalsContact O-CG 3.23Å; E45-L49 WeakPolarHBondContact O-CG 3.06Å; E45-L49 PolarHBondContact O-N 3.4Å; E46-L49 PolarHBondContact O-N 3.23Å; L49-E53 PolarHBondContact O-N 3.42Å; L49-T57 HydrophobicContact CD2-CG2 3.73Å; L49-I59 HydrophobicContact CD2-CB 4.31Å; L49-I59 HydrophobicContact CD2-CG1 3.68Å; L49-V88 HydrophobicContact CB-CB 4.42Å; L49-V88 HydrophobicContact CB-CG1 3.67Å; L49-V88 HydrophobicContact CB-CG2 3.87Å; L49-V88 HydrophobicContact CD1-CG1 3.44Å; L49-V88 VanDerWaalsContact CD1-CG1 3.44Å; L49-V88 HydrophobicContact CG-CG1 4.18Å; L49-N92 HydrophobicContact CD1-CB 4.27Å; L49-N92 WeakPolarHBondContact CD1-O 3.29Å |
| 50 | A | 87.4 | Confident | 88.5 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 44% | 0.438 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72.1 | -39.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | E46 N47 Y48 V88 | E46-A50 VanDerWaalsContact O-CB 3.29Å; E46-A50 WeakPolarHBondContact O-CB 3.42Å; E46-A50 PolarHBondContact O-N 2.78Å; N47-A50 PolarHBondContact O-N 2.92Å; Y48-A50 VanDerWaalsContact C-N 3.34Å; Y48-A50 PolarHBondContact O-N 3.33Å; A50-V88 HydrophobicContact CB-CG2 4.18Å |
| 51 | E | 87.4 | Confident | 88.1 | Confident | 124 Ų | 124 | 69.2 Ų | 69.2 | 58% | 0.579 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.6 | -44.9 | -178 | -176.4 | 175 | -175.6 | 0 | 0 | 111.8 | N47 Y48 H54 | N47-E51 WeakPolarHBondContact O-CB 3.28Å; N47-E51 PolarHBondContact O-N 3.08Å; Y48-E51 PolarHBondContact O-N 2.55Å; E51-H54 PolarHBondContact O-CE1 2.73Å; E51-H54 PolarHBondContact O-ND1 3.29Å |
| 52 | F | 86.4 | Confident | 87.7 | Confident | 67 Ų | 67 | 72.2 Ų | 72.2 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -96 | 7.6 | -172 | -65.6 | -77.9 | 0 | 0 | 0 | 114.6 | Y48 H54 I55 G56 T57 | Y48-F52 AromaticContact CD2-CD2 3.34Å; Y48-F52 HydrophobicContact CD2-CD2 3.34Å; Y48-F52 AromaticContact CD2-CE2 3.6Å; Y48-F52 HydrophobicContact CD2-CE2 3.6Å; Y48-F52 HydrophobicContact CD2-CG 4.41Å; Y48-F52 AromaticContact CE2-CD2 3.4Å; Y48-F52 HydrophobicContact CE2-CD2 3.4Å; Y48-F52 AromaticContact CE2-CE2 3.78Å; Y48-F52 HydrophobicContact CE2-CE2 3.78Å; Y48-F52 HydrophobicContact CE2-CG 4.1Å; Y48-F52 HydrophobicContact CG-CD2 4.19Å; Y48-F52 VanDerWaalsContact O-CD2 3.31Å; Y48-F52 WeakPolarHBondContact O-CD2 3.34Å; Y48-F52 PolarHBondContact O-N 3.03Å; Y48-F52 VanDerWaalsContact O-N 3.08Å; F52-H54 PolarHBondContact O-N 2.89Å; F52-I55 PolarHBondContact O-N 3Å; F52-I55 VanDerWaalsContact O-N 3.1Å; F52-G56 CarbonylContact O-C 3.5Å; F52-G56 PolarHBondContact O-N 2.64Å; F52-T57 HydrophobicContact CB-CG2 3.99Å |
| 53 | E | 83.6 | Confident | 86.7 | Confident | 116 Ų | 116 | 74.6 Ų | 74.6 | 54% | 0.542 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -36.9 | 179.4 | -170.3 | -174 | 172.6 | 0 | 0 | 112.8 | L49 | L49-E53 PolarHBondContact O-N 3.42Š|
| 54 | H | 80.3 | Confident | 85.4 | Confident | 144 Ų | 144 | 76.1 Ų | 76.1 | 67% | 0.667 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -20.8 | -174.9 | 65.3 | -73.6 | 0 | 0 | 0 | 115.5 | E51 F52 | E51-H54 PolarHBondContact O-CE1 2.73Å; E51-H54 PolarHBondContact O-ND1 3.29Å; F52-H54 PolarHBondContact O-N 2.89Å |
| 55 | I | 83.5 | Confident | 83.8 | Confident | 61 Ų | 61 | 73.4 Ų | 73.4 | 31% | 0.313 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -21.7 | 177.8 | -63.3 | 162.4 | 0 | 0 | 0 | 110.8 | F52 F62 H63 I65 | F52-I55 PolarHBondContact O-N 3Å; F52-I55 VanDerWaalsContact O-N 3.1Å; I55-F62 HydrophobicContact CG2-CD1 4.39Å; I55-H63 PolarHBondContact O-N 2.91Å; I55-I65 HydrophobicContact CG1-CD1 4.07Å; I55-I65 HydrophobicContact CG2-CD1 4.15Å; I55-I65 HydrophobicContact CG2-CG1 4.45Å |
| 56 | G | 83.6 | Confident | 82 | Confident | 4 Ų | 4 | 77.6 Ų | 77.6 | 4% | 0.041 | 42% | 0.417 | C | S | . | . | trans | 105.2 | 164 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F52 G61 F62 | F52-G56 CarbonylContact O-C 3.5Å; F52-G56 PolarHBondContact O-N 2.64Å; G56-G61 WeakPolarHBondContact CA-O 3.36Å; G56-F62 WeakPolarHBondContact O-CD1 3.41Å; G56-F62 WeakPolarHBondContact O-CE1 3.14Å | ||
| 57 | T | 87.7 | Confident | 80.3 | Confident | 4 Ų | 4 | 82.6 Ų | 82.6 | 3% | 0.025 | 44% | 0.441 | C | S | . | . | trans | -128.9 | 172.6 | -175.4 | 63.3 | 0 | 0 | 0 | 0 | 109.7 | Y48 L49 F52 I59 T60 G61 | Y48-T57 HydrophobicContact CE1-CG2 4.15Å; L49-T57 HydrophobicContact CD2-CG2 3.73Å; F52-T57 HydrophobicContact CB-CG2 3.99Å; T57-I59 PolarHBondContact O-N 3.03Å; T57-I59 VanDerWaalsContact O-N 3.14Å; T57-I59 PolarHBondContact OG1-N 2.9Å; T57-T60 PolarHBondContact N-OG1 2.96Å; T57-T60 PolarHBondContact O-N 3.45Å; T57-T60 PolarHBondContact OG1-N 3.31Å; T57-T60 PolarHBondContact OG1-OG1 2.96Å; T57-G61 CarbonylContact O-C 3.42Å; T57-G61 VanDerWaalsContact O-CA 3.3Å; T57-G61 WeakPolarHBondContact O-CA 3.43Å; T57-G61 PolarHBondContact O-N 3.23Å | ||
| 58 | V | 88.5 | Confident | 78.4 | Confident | 98 Ų | 98 | 86.3 Ų | 86.3 | 59% | 0.594 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.9 | 169.1 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | Y48 F62 | Y48-V58 PolarHBondContact OH-N 3.01Å; V58-F62 HydrophobicContact CG2-CE2 4.13Å; V58-F62 HydrophobicContact CG2-CZ 4.2Å |
| 59 | I | 86.5 | Confident | 76.3 | Confident | 44 Ų | 44 | 94.1 Ų | 94.1 | 23% | 0.226 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -46.6 | 179.8 | -48.9 | -56.6 | 0 | 0 | 0 | 111.7 | L49 T57 N92 L94 | L49-I59 HydrophobicContact CD2-CB 4.31Å; L49-I59 HydrophobicContact CD2-CG1 3.68Å; T57-I59 PolarHBondContact O-N 3.03Å; T57-I59 VanDerWaalsContact O-N 3.14Å; T57-I59 PolarHBondContact OG1-N 2.9Å; I59-N92 HydrophobicContact CG2-CB 4.35Å; I59-L94 HydrophobicContact CD1-CB 3.83Å; I59-L94 HydrophobicContact CD1-CD1 3.48Å; I59-L94 VanDerWaalsContact CD1-CD1 3.48Å; I59-L94 HydrophobicContact CD1-CG 3.66Å; I59-L94 HydrophobicContact CG2-CD1 4.48Å |
| 60 | T | 84.2 | Confident | 74 | Confident | 79 Ų | 79 | 98.2 Ų | 98.2 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -7.4 | -174.3 | 53.5 | 0 | 0 | 0 | 0 | 114 | T57 | T57-T60 PolarHBondContact N-OG1 2.96Å; T57-T60 PolarHBondContact O-N 3.45Å; T57-T60 PolarHBondContact OG1-N 3.31Å; T57-T60 PolarHBondContact OG1-OG1 2.96Å |
| 61 | G | 85.8 | Confident | 72.1 | Confident | 34 Ų | 34 | 101.2 Ų | 101.2 | 35% | 0.351 | 53% | 0.529 | S | S | . | . | trans | 79.1 | 138.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112 | G56 T57 H63 | G56-G61 WeakPolarHBondContact CA-O 3.36Å; T57-G61 CarbonylContact O-C 3.42Å; T57-G61 VanDerWaalsContact O-CA 3.3Å; T57-G61 WeakPolarHBondContact O-CA 3.43Å; T57-G61 PolarHBondContact O-N 3.23Å; G61-H63 PolarHBondContact O-N 3.14Å; G61-H63 PolarHBondContact O-ND1 3.01Å; G61-H63 VanDerWaalsContact O-ND1 3.15Å | ||
| 62 | F | 85.6 | Confident | 70.2 | Confident | 122 Ų | 122 | 102.6 Ų | 102.6 | 54% | 0.535 | 54% | 0.54 | S | S | . | . | trans | -75.2 | 114.9 | 171.8 | -61.7 | -77.1 | 0 | 0 | 0 | 108.8 | I55 G56 V58 | I55-F62 HydrophobicContact CG2-CD1 4.39Å; G56-F62 WeakPolarHBondContact O-CD1 3.41Å; G56-F62 WeakPolarHBondContact O-CE1 3.14Å; V58-F62 HydrophobicContact CG2-CE2 4.13Å; V58-F62 HydrophobicContact CG2-CZ 4.2Å | ||
| 63 | H | 69.2 | Low | 68.4 | Low | 129 Ų | 129 | 102.7 Ų | 102.7 | 60% | 0.597 | 56% | 0.561 | S | S | * | * | trans | -80.4 | 134 | 176.8 | -73.5 | 64.4 | 0 | 0 | 0 | 108.3 | I55 G61 I65 | I55-H63 PolarHBondContact O-N 2.91Å; G61-H63 PolarHBondContact O-N 3.14Å; G61-H63 PolarHBondContact O-ND1 3.01Å; G61-H63 VanDerWaalsContact O-ND1 3.15Å; H63-I65 PolarHBondContact O-N 3.38Å | ||
| 64 | P | 63.9 | Low | 66.7 | Low | 120 Ų | 120 | 103 Ų | 103 | 78% | 0.779 | 57% | 0.572 | S | S | * | * | trans | -60.1 | 116.7 | 169.3 | 24.5 | -30.1 | 0 | 0 | 0 | 107.3 | S66 | P64-S66 VanDerWaalsContact C-N 3.27Å; P64-S66 PolarHBondContact O-N 2.91Å | ||
| 65 | I | 59 | Low | 65.1 | Low | 79 Ų | 79 | 104.2 Ų | 104.2 | 41% | 0.405 | 58% | 0.584 | S | S | . | * | trans | -66.4 | 90.6 | -178.9 | -50.4 | 169.8 | 0 | 0 | 0 | 107.5 | I55 H63 E67 F68 | I55-I65 HydrophobicContact CG1-CD1 4.07Å; I55-I65 HydrophobicContact CG2-CD1 4.15Å; I55-I65 HydrophobicContact CG2-CG1 4.45Å; H63-I65 PolarHBondContact O-N 3.38Å; I65-E67 HydrophobicContact CG2-CB 4.1Å; I65-E67 PolarHBondContact O-N 3.17Å; I65-E67 VanDerWaalsContact O-N 3.17Å; I65-F68 HydrophobicContact CB-CD2 4.1Å; I65-F68 HydrophobicContact CB-CE2 4.46Å; I65-F68 HydrophobicContact CD1-CD2 4.45Å; I65-F68 HydrophobicContact CD1-CE2 4.04Å; I65-F68 HydrophobicContact CG2-CD2 3.63Å; I65-F68 HydrophobicContact CG2-CE2 3.9Å | ||
| 66 | S | 56.9 | Low | 63.6 | Low | 96 Ų | 96 | 106.5 Ų | 106.5 | 67% | 0.671 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -61.6 | -18 | 173.3 | -179 | 0 | 0 | 0 | 0 | 111.6 | P64 F68 R69 | P64-S66 VanDerWaalsContact C-N 3.27Å; P64-S66 PolarHBondContact O-N 2.91Å; S66-F68 VanDerWaalsContact C-N 3.34Å; S66-F68 PolarHBondContact O-N 2.9Å; S66-R69 PolarHBondContact O-N 3.32Å; S66-R69 VanDerWaalsContact O-N 3.15Å |
| 67 | E | 53.9 | Low | 62.2 | Low | 178 Ų | 178 | 116.1 Ų | 116.1 | 83% | 0.832 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -83.1 | -0 | -169.5 | -64.2 | 179.2 | 179.3 | 0 | 0 | 114.9 | I65 R69 | I65-E67 HydrophobicContact CG2-CB 4.1Å; I65-E67 PolarHBondContact O-N 3.17Å; I65-E67 VanDerWaalsContact O-N 3.17Å; E67-R69 VanDerWaalsContact C-N 3.27Å |
| 68 | F | 51.1 | Low | 60.2 | Low | 182 Ų | 182 | 119.4 Ų | 119.4 | 80% | 0.798 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -83.9 | -0.4 | 162.2 | -75.8 | -75.8 | 0 | 0 | 0 | 113.3 | I65 S66 | I65-F68 HydrophobicContact CB-CD2 4.1Å; I65-F68 HydrophobicContact CB-CE2 4.46Å; I65-F68 HydrophobicContact CD1-CD2 4.45Å; I65-F68 HydrophobicContact CD1-CE2 4.04Å; I65-F68 HydrophobicContact CG2-CD2 3.63Å; I65-F68 HydrophobicContact CG2-CE2 3.9Å; S66-F68 VanDerWaalsContact C-N 3.34Å; S66-F68 PolarHBondContact O-N 2.9Å |
| 69 | R | 48.1 | Very low | 58.3 | Low | 228 Ų | 228 | 120.7 Ų | 120.7 | 86% | 0.86 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -116.2 | 71 | 175 | -71.5 | -177 | 172.8 | -126.7 | 0.7 | 111.3 | S66 E67 | S66-R69 PolarHBondContact O-N 3.32Å; S66-R69 VanDerWaalsContact O-N 3.15Å; E67-R69 VanDerWaalsContact C-N 3.27Å |
| 70 | S | 42.1 | Very low | 56.3 | Low | 100 Ų | 100 | 130.6 Ų | 130.6 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | trans | 154.6 | 94.2 | 150.1 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | N72 | S70-N72 PolarHBondContact O-N 3.48Š| ||
| 71 | S | 47.4 | Very low | 54.6 | Low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | trans | -80.9 | 94.2 | 166.7 | 58.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 72 | N | 47.4 | Very low | 52.8 | Low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -135.7 | 89 | 155.3 | -91.8 | -16.8 | 0 | 0 | 0 | 108.4 | S70 | S70-N72 PolarHBondContact O-N 3.48Š| ||
| 73 | G | 47.8 | Very low | 51 | Low | 70 Ų | 70 | 143.3 Ų | 143.3 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 85.4 | 118.8 | 150 | 0 | 0 | 0 | 0 | 0 | 117.3 | D75 | G73-D75 PolarHBondContact O-N 3.45Š| ||
| 74 | P | 47.2 | Very low | 50.1 | Low | 122 Ų | 122 | 147.2 Ų | 147.2 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -82.7 | 113.1 | 172.5 | 32.4 | -27.8 | 0 | 0 | 0 | 109.9 | S76 | P74-S76 PolarHBondContact O-N 2.93Š| ||
| 75 | D | 47.8 | Very low | 49.7 | Very low | 169 Ų | 169 | 153 Ų | 153 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -71.4 | 97.4 | 164.3 | -94 | -17.8 | 0 | 0 | 0 | 109.3 | G73 K77 | G73-D75 PolarHBondContact O-N 3.45Å; D75-K77 PolarHBondContact O-N 2.97Å | ||
| 76 | S | 52.4 | Low | 49.5 | Very low | 110 Ų | 110 | 154.9 Ų | 154.9 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -74.1 | 25.3 | -176.5 | 55.7 | 0 | 0 | 0 | 0 | 114.6 | P74 | P74-S76 PolarHBondContact O-N 2.93Š| ||
| 77 | K | 53 | Low | 50.1 | Low | 206 Ų | 206 | 154.9 Ų | 154.9 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | trans | -125 | 67.8 | -178.2 | -62.7 | -151.8 | -176.8 | -175.9 | 0 | 113.4 | D75 | D75-K77 PolarHBondContact O-N 2.97Š| ||
| 78 | G | 46.3 | Very low | 51.2 | Low | 73 Ų | 73 | 147.4 Ų | 147.4 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -154.3 | -3.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R80 | G78-R80 PolarHBondContact O-N 2.89Š| ||
| 79 | S | 48.7 | Very low | 52.7 | Low | 125 Ų | 125 | 141.8 Ų | 141.8 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 67.5 | -167 | -165.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 80 | R | 45.2 | Very low | 54.4 | Low | 251 Ų | 251 | 132.9 Ų | 132.9 | 95% | 0.947 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.7 | 7.6 | 170 | -127.5 | 174.7 | 176.3 | 176.8 | -2.1 | 118.4 | G78 | G78-R80 PolarHBondContact O-N 2.89Š|
| 81 | A | 48.4 | Very low | 56.3 | Low | 92 Ų | 92 | 130.8 Ų | 130.8 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -120 | -4.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | K83 | A81-K83 PolarHBondContact O-N 2.92Š|
| 82 | R | 47.8 | Very low | 58.1 | Low | 205 Ų | 205 | 128.7 Ų | 128.7 | 77% | 0.774 | 69% | 0.689 | S | S | * | * | trans | -94.7 | 70.5 | -172.2 | -115.2 | 179.3 | -174.3 | -157.4 | -1 | 113 | ||||
| 83 | K | 46.3 | Very low | 60 | Low | 205 Ų | 205 | 121.6 Ų | 121.6 | 89% | 0.891 | 65% | 0.651 | S | S | * | * | trans | -130.3 | 20.3 | 166.5 | -103.8 | -167.9 | -175.9 | -175.8 | 0 | 113.2 | A81 R85 | A81-K83 PolarHBondContact O-N 2.92Å; K83-R85 PolarHBondContact O-N 2.98Å | ||
| 84 | R | 51.2 | Low | 62 | Low | 212 Ų | 212 | 123 Ų | 123 | 80% | 0.8 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -76.2 | 111.6 | 159.1 | -63.5 | -175.2 | 93.7 | 166.1 | 5 | 105.1 | H86 | R84-H86 VanDerWaalsContact C-N 3.26Å; R84-H86 PolarHBondContact O-CD2 3.32Å; R84-H86 PolarHBondContact O-N 3.49Å |
| 85 | R | 56 | Low | 64.1 | Low | 242 Ų | 242 | 122.8 Ų | 122.8 | 91% | 0.913 | 63% | 0.628 | S | S | * | * | trans | -52.3 | 101.6 | 162.1 | -75.3 | 176.4 | 146.1 | -167.5 | -8.7 | 105.4 | K83 S87 | K83-R85 PolarHBondContact O-N 2.98Å; R85-S87 PolarHBondContact O-N 2.87Å | ||
| 86 | H | 55.2 | Low | 66.1 | Low | 117 Ų | 117 | 114.9 Ų | 114.9 | 54% | 0.542 | 59% | 0.586 | S | S | . | * | trans | -68.4 | 94 | 171.9 | -75.2 | -76.7 | 0 | 0 | 0 | 104.6 | R84 V88 | R84-H86 VanDerWaalsContact C-N 3.26Å; R84-H86 PolarHBondContact O-CD2 3.32Å; R84-H86 PolarHBondContact O-N 3.49Å; H86-V88 PolarHBondContact O-N 2.77Å | ||
| 87 | S | 69.3 | Low | 67.7 | Low | 97 Ų | 97 | 113.2 Ų | 113.2 | 68% | 0.678 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -57 | 122 | 167 | 51.4 | 0 | 0 | 0 | 0 | 106.1 | R85 S89 | R85-S87 PolarHBondContact O-N 2.87Å; S87-S89 PolarHBondContact O-N 3.07Å; S87-S89 VanDerWaalsContact O-N 3.13Å |
| 88 | V | 76.4 | Confident | 69.4 | Low | 21 Ų | 21 | 107.5 Ų | 107.5 | 13% | 0.127 | 56% | 0.555 | C | S | . | * | P | Polyproline II helix | trans | -57.1 | 121.3 | 175.8 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | E46 L49 A50 H86 D90 N92 R93 | E46-V88 HydrophobicContact CG-CB 4.48Å; E46-V88 HydrophobicContact CG-CG2 4.21Å; L49-V88 HydrophobicContact CB-CB 4.42Å; L49-V88 HydrophobicContact CB-CG1 3.67Å; L49-V88 HydrophobicContact CB-CG2 3.87Å; L49-V88 HydrophobicContact CD1-CG1 3.44Å; L49-V88 VanDerWaalsContact CD1-CG1 3.44Å; L49-V88 HydrophobicContact CG-CG1 4.18Å; A50-V88 HydrophobicContact CB-CG2 4.18Å; H86-V88 PolarHBondContact O-N 2.77Å; V88-D90 PolarHBondContact O-N 3.33Å; V88-N92 HydrophobicContact CG1-CB 4.47Å; V88-R93 HydrophobicContact CG1-CG 4.49Å |
| 89 | S | 82.9 | Confident | 71.3 | Confident | 64 Ų | 64 | 105.3 Ų | 105.3 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 134.2 | 179.7 | 180 | 0 | 0 | 0 | 0 | 109.9 | S87 A91 N92 | S87-S89 PolarHBondContact O-N 3.07Å; S87-S89 VanDerWaalsContact O-N 3.13Å; S89-A91 PolarHBondContact O-N 3.33Å; S89-A91 VanDerWaalsContact O-N 3.09Å; S89-A91 PolarHBondContact OG-N 3.21Å; S89-N92 PolarHBondContact O-N 2.61Å |
| 90 | D | 83.3 | Confident | 72.5 | Confident | 41 Ų | 41 | 108.1 Ų | 108.1 | 22% | 0.219 | 52% | 0.524 | C | S | . | . | G | 310 helix | trans | -60.3 | -22.4 | 176.9 | -65.8 | -34.5 | 0 | 0 | 0 | 112.4 | Y42 V88 N92 R93 W97 I106 | Y42-D90 PolarHBondContact OH-OD1 3.45Å; V88-D90 PolarHBondContact O-N 3.33Å; D90-N92 PolarHBondContact O-N 3.46Å; D90-R93 WeakPolarHBondContact O-CB 3.49Å; D90-R93 PolarHBondContact O-N 3.36Å; D90-R93 VanDerWaalsContact O-N 3.16Å; D90-R93 VanDerWaalsContact OD1-CD 3.29Å; D90-R93 WeakPolarHBondContact OD1-CD 3.45Å; D90-R93 IonicContact OD1-NE 3.89Å; D90-R93 PolarHBondContact OD1-NE 2.99Å; D90-R93 VanDerWaalsContact OD1-NE 3.07Å; D90-W97 PolarHBondContact O-NE1 2.91Å; D90-I106 HydrophobicContact CB-CG2 3.67Å |
| 91 | A | 83.1 | Confident | 74.2 | Confident | 56 Ų | 56 | 98.4 Ų | 98.4 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -61.9 | -24.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S89 | S89-A91 PolarHBondContact O-N 3.33Å; S89-A91 VanDerWaalsContact O-N 3.09Å; S89-A91 PolarHBondContact OG-N 3.21Å |
| 92 | N | 84.2 | Confident | 75.3 | Confident | 71 Ų | 71 | 94.7 Ų | 94.7 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -91.7 | -2 | 179.6 | -67.2 | -17.7 | 0 | 0 | 0 | 112.8 | L49 I59 V88 S89 D90 L94 | L49-N92 HydrophobicContact CD1-CB 4.27Å; L49-N92 WeakPolarHBondContact CD1-O 3.29Å; I59-N92 HydrophobicContact CG2-CB 4.35Å; V88-N92 HydrophobicContact CG1-CB 4.47Å; S89-N92 PolarHBondContact O-N 2.61Å; D90-N92 PolarHBondContact O-N 3.46Å; N92-L94 VanDerWaalsContact C-N 3.31Å; N92-L94 PolarHBondContact O-N 3.4Å; N92-L94 VanDerWaalsContact O-N 3.13Å |
| 93 | R | 87.5 | Confident | 76.2 | Confident | 4 Ų | 4 | 85.2 Ų | 85.2 | 2% | 0.015 | 43% | 0.429 | C | S | . | . | trans | -89 | 56.5 | -173.3 | -66.1 | -177.9 | -179.3 | -98.3 | 7.7 | 112.9 | Y42 E45 E46 V88 D90 F95 S96 W97 | Y42-R93 VanDerWaalsContact CE2-CD 3.42Å; Y42-R93 VanDerWaalsContact CZ-CZ 3.41Å; Y42-R93 PolarHBondContact O-NH1 3.38Å; Y42-R93 PolarHBondContact OH-NE 3.44Å; E45-R93 HydrophobicContact CG-CB 4.34Å; E45-R93 HydrophobicContact CG-CG 4.3Å; E45-R93 WeakPolarHBondContact OE1-CA 3.48Å; E45-R93 WeakPolarHBondContact OE2-CA 3.22Å; E45-R93 WeakPolarHBondContact OE2-CB 3.15Å; E46-R93 IonicContact OE1-NH2 2.89Å; E46-R93 IonicContact OE2-CZ 3.77Å; E46-R93 IonicContact OE2-NH2 3.65Å; E46-R93 PolarHBondContact OE2-NH2 3.04Å; V88-R93 HydrophobicContact CG1-CG 4.49Å; D90-R93 WeakPolarHBondContact O-CB 3.49Å; D90-R93 PolarHBondContact O-N 3.36Å; D90-R93 VanDerWaalsContact O-N 3.16Å; D90-R93 VanDerWaalsContact OD1-CD 3.29Å; D90-R93 WeakPolarHBondContact OD1-CD 3.45Å; D90-R93 IonicContact OD1-NE 3.89Å; D90-R93 PolarHBondContact OD1-NE 2.99Å; D90-R93 VanDerWaalsContact OD1-NE 3.07Å; R93-F95 PolarHBondContact O-N 2.94Å; R93-F95 VanDerWaalsContact O-N 3.13Å; R93-S96 WeakPolarHBondContact O-CB 3.28Å; R93-S96 PolarHBondContact O-N 3.29Å; R93-W97 PolarHBondContact O-N 3.4Å | ||
| 94 | L | 89.3 | Confident | 77.4 | Confident | 100 Ų | 100 | 78.3 Ų | 78.3 | 52% | 0.524 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -54.1 | -33.8 | -173.1 | -66.7 | -173.6 | 0 | 0 | 0 | 114 | E45 I59 N92 W97 A98 | E45-L94 PolarHBondContact OE1-N 3.09Å; I59-L94 HydrophobicContact CD1-CB 3.83Å; I59-L94 HydrophobicContact CD1-CD1 3.48Å; I59-L94 VanDerWaalsContact CD1-CD1 3.48Å; I59-L94 HydrophobicContact CD1-CG 3.66Å; I59-L94 HydrophobicContact CG2-CD1 4.48Å; N92-L94 VanDerWaalsContact C-N 3.31Å; N92-L94 PolarHBondContact O-N 3.4Å; N92-L94 VanDerWaalsContact O-N 3.13Å; L94-W97 PolarHBondContact O-N 3.09Å; L94-A98 PolarHBondContact O-N 3.16Å |
| 95 | F | 90.8 | Very high | 78.6 | Confident | 117 Ų | 117 | 74.6 Ų | 74.6 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -72.3 | -37.4 | 179.2 | -61.8 | -71.2 | 0 | 0 | 0 | 111.7 | V41 E45 R93 W97 A98 | V41-F95 HydrophobicContact CG1-CB 3.72Å; E45-F95 HydrophobicContact CG-CD2 4.42Å; E45-F95 VanDerWaalsContact OE1-CD2 3.27Å; E45-F95 WeakPolarHBondContact OE1-CD2 3.38Å; E45-F95 PolarHBondContact OE1-N 3.49Å; R93-F95 PolarHBondContact O-N 2.94Å; R93-F95 VanDerWaalsContact O-N 3.13Å; F95-W97 VanDerWaalsContact C-N 3.35Å; F95-A98 WeakPolarHBondContact O-CB 3.37Å; F95-A98 PolarHBondContact O-N 3.25Å |
| 96 | S | 90.3 | Very high | 79.5 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.5 | -35.9 | 172.8 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | Y42 E45 R93 A98 S102 | Y42-S96 WeakPolarHBondContact CA-OG 3.36Å; E45-S96 WeakPolarHBondContact OE2-CB 3.5Å; E45-S96 PolarHBondContact OE2-N 2.97Å; E45-S96 PolarHBondContact OE2-OG 3.29Å; R93-S96 WeakPolarHBondContact O-CB 3.28Å; R93-S96 PolarHBondContact O-N 3.29Å; S96-A98 PolarHBondContact O-N 2.85Å; S96-S102 PolarHBondContact O-OG 2.85Å |
| 97 | W | 86.1 | Confident | 80.4 | Confident | 75 Ų | 75 | 61.6 Ų | 61.6 | 28% | 0.284 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66 | -25 | 174.1 | -83.5 | 100 | 0 | 0 | 0 | 114.1 | D90 R93 L94 F95 S99 I106 D107 | D90-W97 PolarHBondContact O-NE1 2.91Å; R93-W97 PolarHBondContact O-N 3.4Å; L94-W97 PolarHBondContact O-N 3.09Å; F95-W97 VanDerWaalsContact C-N 3.35Å; W97-S99 PolarHBondContact O-N 3.41Å; W97-I106 HydrophobicContact CD2-CG2 4.46Å; W97-I106 HydrophobicContact CH2-CB 4.48Å; W97-I106 HydrophobicContact CH2-CG2 4.02Å; W97-I106 HydrophobicContact CZ2-CB 4.16Å; W97-I106 HydrophobicContact CZ2-CG2 3.33Å; W97-D107 HydrophobicContact CH2-CB 4.41Å; W97-D107 WeakPolarHBondContact CH2-OD1 3.49Å |
| 98 | A | 88.9 | Confident | 80.9 | Confident | 87 Ų | 87 | 63 Ų | 63 | 72% | 0.719 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L94 F95 S96 | L94-A98 PolarHBondContact O-N 3.16Å; F95-A98 WeakPolarHBondContact O-CB 3.37Å; F95-A98 PolarHBondContact O-N 3.25Å; S96-A98 PolarHBondContact O-N 2.85Å |
| 99 | S | 85.4 | Confident | 81 | Confident | 26 Ų | 26 | 64.4 Ų | 64.4 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -88.7 | 139.1 | 170.9 | 157.3 | 0 | 0 | 0 | 0 | 111.5 | E38 W97 S101 S102 G103 | E38-S99 WeakPolarHBondContact OE1-CB 3.26Å; E38-S99 PolarHBondContact OE1-OG 3.01Å; W97-S99 PolarHBondContact O-N 3.41Å; S99-S101 PolarHBondContact OG-N 3.32Å; S99-S101 PolarHBondContact OG-OG 2.94Å; S99-S101 VanDerWaalsContact OG-OG 3.11Å; S99-S102 WeakPolarHBondContact CB-OG 3.25Å; S99-S102 PolarHBondContact OG-N 3.13Å; S99-S102 PolarHBondContact OG-OG 3.13Å; S99-G103 WeakPolarHBondContact O-CA 3.47Å; S99-G103 PolarHBondContact O-N 2.88Å |
| 100 | F | 75.8 | Confident | 80.8 | Confident | 185 Ų | 185 | 63.8 Ų | 63.8 | 81% | 0.811 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65 | -36.2 | 177.6 | -176.9 | -93 | 0 | 0 | 0 | 112.5 | V104 | F100-V104 VanDerWaalsContact O-CG2 3.26Å; F100-V104 WeakPolarHBondContact O-CG2 3.34Å |
| 101 | S | 79.7 | Confident | 80.4 | Confident | 46 Ų | 46 | 66.8 Ų | 66.8 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -74 | -52.3 | 178.2 | 24.5 | 0 | 0 | 0 | 0 | 111.2 | E38 S99 G103 V104 E105 | E38-S101 PolarHBondContact OE1-OG 2.99Å; E38-S101 PolarHBondContact OE2-OG 3.04Å; S99-S101 PolarHBondContact OG-N 3.32Å; S99-S101 PolarHBondContact OG-OG 2.94Å; S99-S101 VanDerWaalsContact OG-OG 3.11Å; S101-G103 PolarHBondContact O-N 3.19Å; S101-V104 PolarHBondContact O-N 3.44Å; S101-E105 PolarHBondContact O-N 2.6Å |
| 102 | S | 71 | Confident | 80.2 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 11% | 0.105 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.4 | -30.5 | -177.4 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | S96 S99 V104 E105 I106 | S96-S102 PolarHBondContact O-OG 2.85Å; S99-S102 WeakPolarHBondContact CB-OG 3.25Å; S99-S102 PolarHBondContact OG-N 3.13Å; S99-S102 PolarHBondContact OG-OG 3.13Å; S102-V104 VanDerWaalsContact C-N 3.35Å; S102-V104 PolarHBondContact O-N 2.88Å; S102-E105 PolarHBondContact O-N 3.29Å; S102-I106 WeakPolarHBondContact O-CD1 3.12Å; S102-I106 WeakPolarHBondContact O-CG1 3.46Å; S102-I106 PolarHBondContact O-N 2.83Å |
| 103 | G | 67.2 | Low | 79.9 | Confident | 6 Ų | 6 | 66 Ų | 66 | 6% | 0.062 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S99 S101 I106 D107 | S99-G103 WeakPolarHBondContact O-CA 3.47Å; S99-G103 PolarHBondContact O-N 2.88Å; S101-G103 PolarHBondContact O-N 3.19Å; G103-I106 PolarHBondContact O-N 3.46Å; G103-D107 PolarHBondContact O-N 2.96Å |
| 104 | V | 72.8 | Confident | 79.3 | Confident | 60 Ų | 60 | 72.1 Ų | 72.1 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | F100 S101 S102 I106 D107 E108 | F100-V104 VanDerWaalsContact O-CG2 3.26Å; F100-V104 WeakPolarHBondContact O-CG2 3.34Å; S101-V104 PolarHBondContact O-N 3.44Å; S102-V104 VanDerWaalsContact C-N 3.35Å; S102-V104 PolarHBondContact O-N 2.88Å; V104-I106 VanDerWaalsContact C-N 3.29Å; V104-I106 PolarHBondContact O-N 3.19Å; V104-D107 PolarHBondContact O-N 2.79Å; V104-E108 HydrophobicContact CG1-CG 4.41Å; V104-E108 WeakPolarHBondContact O-CB 3.35Å; V104-E108 WeakPolarHBondContact O-CG 3.16Å; V104-E108 PolarHBondContact O-N 3.42Å |
| 105 | E | 76.1 | Confident | 78.7 | Confident | 134 Ų | 134 | 74.5 Ų | 74.5 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.5 | -38.6 | 176.8 | -69.7 | -179.9 | -178.7 | 0 | 0 | 112 | S101 S102 A109 | S101-E105 PolarHBondContact O-N 2.6Å; S102-E105 PolarHBondContact O-N 3.29Å; E105-A109 WeakPolarHBondContact O-CB 3.27Å; E105-A109 PolarHBondContact O-N 2.94Å |
| 106 | I | 74.8 | Confident | 78 | Confident | 9 Ų | 9 | 75.1 Ų | 75.1 | 5% | 0.046 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.4 | -45.5 | 176.2 | -65.7 | 164.2 | 0 | 0 | 0 | 111 | D90 W97 S102 G103 V104 E108 A109 Q110 | D90-I106 HydrophobicContact CB-CG2 3.67Å; W97-I106 HydrophobicContact CD2-CG2 4.46Å; W97-I106 HydrophobicContact CH2-CB 4.48Å; W97-I106 HydrophobicContact CH2-CG2 4.02Å; W97-I106 HydrophobicContact CZ2-CB 4.16Å; W97-I106 HydrophobicContact CZ2-CG2 3.33Å; S102-I106 WeakPolarHBondContact O-CD1 3.12Å; S102-I106 WeakPolarHBondContact O-CG1 3.46Å; S102-I106 PolarHBondContact O-N 2.83Å; G103-I106 PolarHBondContact O-N 3.46Å; V104-I106 VanDerWaalsContact C-N 3.29Å; V104-I106 PolarHBondContact O-N 3.19Å; I106-E108 VanDerWaalsContact C-N 3.34Å; I106-E108 PolarHBondContact O-N 3.15Å; I106-A109 PolarHBondContact O-N 3.46Å; I106-Q110 HydrophobicContact CG2-CG 4.34Å; I106-Q110 WeakPolarHBondContact O-CG 3.36Å; I106-Q110 PolarHBondContact O-N 2.83Å |
| 107 | D | 74.4 | Confident | 77.2 | Confident | 77 Ų | 77 | 81.8 Ų | 81.8 | 41% | 0.412 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -55.8 | -48.1 | 175.4 | -93.8 | -38.1 | 0 | 0 | 0 | 111.4 | W97 G103 V104 A109 Q110 L111 | W97-D107 HydrophobicContact CH2-CB 4.41Å; W97-D107 WeakPolarHBondContact CH2-OD1 3.49Å; G103-D107 PolarHBondContact O-N 2.96Å; V104-D107 PolarHBondContact O-N 2.79Å; D107-A109 PolarHBondContact O-N 3.39Å; D107-Q110 PolarHBondContact O-N 3.48Å; D107-L111 WeakPolarHBondContact O-CB 3.27Å; D107-L111 VanDerWaalsContact O-CG 3.28Å; D107-L111 WeakPolarHBondContact O-CG 3.45Å; D107-L111 PolarHBondContact O-N 3.31Å |
| 108 | E | 79.5 | Confident | 76.5 | Confident | 126 Ų | 126 | 83.5 Ų | 83.5 | 59% | 0.589 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62 | -43 | 178.3 | -73.9 | -176.9 | -175.5 | 0 | 0 | 111.9 | V104 I106 L111 A112 | V104-E108 HydrophobicContact CG1-CG 4.41Å; V104-E108 WeakPolarHBondContact O-CB 3.35Å; V104-E108 WeakPolarHBondContact O-CG 3.16Å; V104-E108 PolarHBondContact O-N 3.42Å; I106-E108 VanDerWaalsContact C-N 3.34Å; I106-E108 PolarHBondContact O-N 3.15Å; E108-L111 PolarHBondContact O-N 3.41Å; E108-A112 WeakPolarHBondContact O-CB 3.47Å; E108-A112 PolarHBondContact O-N 3.04Å |
| 109 | A | 78 | Confident | 75.5 | Confident | 51 Ų | 51 | 82.6 Ų | 82.6 | 42% | 0.421 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E105 I106 D107 A112 A113 | E105-A109 WeakPolarHBondContact O-CB 3.27Å; E105-A109 PolarHBondContact O-N 2.94Å; I106-A109 PolarHBondContact O-N 3.46Å; D107-A109 PolarHBondContact O-N 3.39Å; A109-A112 PolarHBondContact O-N 3.13Å; A109-A113 WeakPolarHBondContact O-CB 3.23Å; A109-A113 PolarHBondContact O-N 3.47Å |
| 110 | Q | 77.8 | Confident | 74.6 | Confident | 51 Ų | 51 | 86 Ų | 86 | 24% | 0.238 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 176.2 | -72.6 | -172.9 | 8.7 | 0 | 0 | 111.3 | I106 D107 A112 A113 F114 | I106-Q110 HydrophobicContact CG2-CG 4.34Å; I106-Q110 WeakPolarHBondContact O-CG 3.36Å; I106-Q110 PolarHBondContact O-N 2.83Å; D107-Q110 PolarHBondContact O-N 3.48Å; Q110-A112 VanDerWaalsContact C-N 3.33Å; Q110-A112 PolarHBondContact O-N 2.97Å; Q110-A113 PolarHBondContact O-N 2.9Å; Q110-F114 HydrophobicContact CB-CE2 4.44Å; Q110-F114 WeakPolarHBondContact O-CD2 3.29Å; Q110-F114 PolarHBondContact O-N 3.46Å |
| 111 | L | 76.7 | Confident | 73.8 | Confident | 103 Ų | 103 | 80.8 Ų | 80.8 | 54% | 0.539 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 176.6 | -73.2 | 169.8 | 0 | 0 | 0 | 112.2 | D107 E108 F114 K115 | D107-L111 WeakPolarHBondContact O-CB 3.27Å; D107-L111 VanDerWaalsContact O-CG 3.28Å; D107-L111 WeakPolarHBondContact O-CG 3.45Å; D107-L111 PolarHBondContact O-N 3.31Å; E108-L111 PolarHBondContact O-N 3.41Å; L111-F114 PolarHBondContact O-N 3.44Å; L111-K115 WeakPolarHBondContact O-CG 3.31Å; L111-K115 PolarHBondContact O-N 3.08Å |
| 112 | A | 77.6 | Confident | 72.8 | Confident | 59 Ų | 59 | 85.3 Ų | 85.3 | 49% | 0.488 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | E108 A109 Q110 K115 K116 | E108-A112 WeakPolarHBondContact O-CB 3.47Å; E108-A112 PolarHBondContact O-N 3.04Å; A109-A112 PolarHBondContact O-N 3.13Å; Q110-A112 VanDerWaalsContact C-N 3.33Å; Q110-A112 PolarHBondContact O-N 2.97Å; A112-K115 PolarHBondContact O-N 3.17Å; A112-K116 PolarHBondContact O-N 2.88Å |
| 113 | A | 78 | Confident | 72.2 | Confident | 52 Ų | 52 | 88 Ų | 88 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A109 Q110 K117 | A109-A113 WeakPolarHBondContact O-CB 3.23Å; A109-A113 PolarHBondContact O-N 3.47Å; Q110-A113 PolarHBondContact O-N 2.9Å; A113-K117 PolarHBondContact O-N 3.05Å; A113-K117 VanDerWaalsContact O-N 3.14Å |
| 114 | F | 74.2 | Confident | 71.7 | Confident | 133 Ų | 133 | 94.6 Ų | 94.6 | 58% | 0.583 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.9 | -45.9 | 175 | -79.3 | -65.5 | 0 | 0 | 0 | 112.3 | Q110 L111 K116 K117 E118 | Q110-F114 HydrophobicContact CB-CE2 4.44Å; Q110-F114 WeakPolarHBondContact O-CD2 3.29Å; Q110-F114 PolarHBondContact O-N 3.46Å; L111-F114 PolarHBondContact O-N 3.44Å; F114-K116 VanDerWaalsContact C-N 3.3Å; F114-K116 PolarHBondContact O-N 3.05Å; F114-K117 PolarHBondContact O-N 3.34Å; F114-E118 PolarHBondContact O-N 3.22Å |
| 115 | K | 76.7 | Confident | 70.7 | Confident | 149 Ų | 149 | 99.1 Ų | 99.1 | 65% | 0.648 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.7 | -39.5 | 176.9 | -73.4 | 178.3 | -178.9 | 177.7 | 0 | 112.3 | L111 A112 E118 S119 | L111-K115 WeakPolarHBondContact O-CG 3.31Å; L111-K115 PolarHBondContact O-N 3.08Å; A112-K115 PolarHBondContact O-N 3.17Å; K115-E118 PolarHBondContact O-N 3.38Å; K115-S119 PolarHBondContact O-N 3.14Å; K115-S119 PolarHBondContact O-OG 2.95Å |
| 116 | K | 76.4 | Confident | 69.5 | Low | 130 Ų | 130 | 96.9 Ų | 96.9 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 176.6 | -172.8 | 176 | 175.9 | -178.1 | 0 | 111.8 | A112 F114 E118 S119 E120 | A112-K116 PolarHBondContact O-N 2.88Å; F114-K116 VanDerWaalsContact C-N 3.3Å; F114-K116 PolarHBondContact O-N 3.05Å; K116-E118 VanDerWaalsContact C-N 3.29Å; K116-E118 PolarHBondContact O-N 2.91Å; K116-S119 WeakPolarHBondContact CA-OG 3.17Å; K116-S119 PolarHBondContact O-N 3.26Å; K116-S119 PolarHBondContact O-OG 3.1Å; K116-E120 WeakPolarHBondContact CE-OE1 3.33Å; K116-E120 WeakPolarHBondContact O-CG 3.18Å; K116-E120 PolarHBondContact O-N 3.06Å |
| 117 | K | 74.4 | Confident | 68.1 | Low | 143 Ų | 143 | 103.4 Ų | 103.4 | 62% | 0.622 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.2 | -37.1 | 174.3 | -75.7 | -175.6 | 177.9 | 179.6 | 0 | 112.4 | A113 F114 S119 E120 A121 | A113-K117 PolarHBondContact O-N 3.05Å; A113-K117 VanDerWaalsContact O-N 3.14Å; F114-K117 PolarHBondContact O-N 3.34Å; K117-S119 VanDerWaalsContact C-N 3.34Å; K117-E120 PolarHBondContact O-N 3.07Å; K117-A121 WeakPolarHBondContact O-CB 3.41Å; K117-A121 PolarHBondContact O-N 2.93Å |
| 118 | E | 70.2 | Confident | 66.9 | Low | 111 Ų | 111 | 105 Ų | 105 | 52% | 0.519 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.4 | -31.6 | 177.7 | -146.8 | -165.8 | 148.8 | 0 | 0 | 112.5 | F114 K115 K116 K122 | F114-E118 PolarHBondContact O-N 3.22Å; K115-E118 PolarHBondContact O-N 3.38Å; K116-E118 VanDerWaalsContact C-N 3.29Å; K116-E118 PolarHBondContact O-N 2.91Å; E118-K122 WeakPolarHBondContact O-CG 3.3Å; E118-K122 PolarHBondContact O-N 3.15Å; E118-K122 IonicContact OE1-NZ 3.52Å; E118-K122 PolarHBondContact OE1-NZ 2.83Å |
| 119 | S | 68.4 | Low | 65.5 | Low | 68 Ų | 68 | 106.5 Ų | 106.5 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -73.4 | -39.6 | 172.2 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | K115 K116 K117 A121 K122 S123 | K115-S119 PolarHBondContact O-N 3.14Å; K115-S119 PolarHBondContact O-OG 2.95Å; K116-S119 WeakPolarHBondContact CA-OG 3.17Å; K116-S119 PolarHBondContact O-N 3.26Å; K116-S119 PolarHBondContact O-OG 3.1Å; K117-S119 VanDerWaalsContact C-N 3.34Å; S119-A121 VanDerWaalsContact C-N 3.35Å; S119-K122 PolarHBondContact O-N 3.03Å; S119-S123 PolarHBondContact O-N 3.21Å |
| 120 | E | 67 | Low | 64.1 | Low | 99 Ų | 99 | 111.6 Ų | 111.6 | 46% | 0.463 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.3 | -36.5 | 176.8 | -72.5 | 173.4 | -179.3 | 0 | 0 | 111.3 | K116 K117 K122 S123 | K116-E120 WeakPolarHBondContact CE-OE1 3.33Å; K116-E120 WeakPolarHBondContact O-CG 3.18Å; K116-E120 PolarHBondContact O-N 3.06Å; K117-E120 PolarHBondContact O-N 3.07Å; E120-K122 PolarHBondContact O-N 3.32Å; E120-S123 PolarHBondContact O-N 3Å; E120-S123 PolarHBondContact O-OG 2.97Å; E120-S123 VanDerWaalsContact O-OG 3.12Å |
| 121 | A | 59.9 | Low | 62.7 | Low | 74 Ų | 74 | 114.9 Ų | 114.9 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.4 | -18.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K117 S119 | K117-A121 WeakPolarHBondContact O-CB 3.41Å; K117-A121 PolarHBondContact O-N 2.93Å; S119-A121 VanDerWaalsContact C-N 3.35Å |
| 122 | K | 57.3 | Low | 61.4 | Low | 141 Ų | 141 | 118.9 Ų | 118.9 | 61% | 0.613 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -93 | -21.8 | 177 | -74.1 | 174.6 | -173 | 163.5 | 0 | 113.2 | E118 S119 E120 | E118-K122 WeakPolarHBondContact O-CG 3.3Å; E118-K122 PolarHBondContact O-N 3.15Å; E118-K122 IonicContact OE1-NZ 3.52Å; E118-K122 PolarHBondContact OE1-NZ 2.83Å; S119-K122 PolarHBondContact O-N 3.03Å; E120-K122 PolarHBondContact O-N 3.32Å |
| 123 | S | 59.3 | Low | 60.4 | Low | 73 Ų | 73 | 122.3 Ų | 122.3 | 51% | 0.51 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -79.9 | -22.5 | 179.4 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | S119 E120 N125 | S119-S123 PolarHBondContact O-N 3.21Å; E120-S123 PolarHBondContact O-N 3Å; E120-S123 PolarHBondContact O-OG 2.97Å; E120-S123 VanDerWaalsContact O-OG 3.12Å; S123-N125 VanDerWaalsContact C-N 3.28Å; S123-N125 PolarHBondContact O-N 3.02Å |
| 124 | D | 55.8 | Low | 59.2 | Low | 143 Ų | 143 | 127.2 Ų | 127.2 | 77% | 0.765 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 6.8 | -177.8 | -87.4 | 0.9 | 0 | 0 | 0 | 114.6 | ||
| 125 | N | 51.5 | Low | 57.9 | Low | 155 Ų | 155 | 128.2 Ų | 128.2 | 83% | 0.829 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.1 | 18 | 177.8 | -94.8 | -14.1 | 0 | 0 | 0 | 114.1 | S123 | S123-N125 VanDerWaalsContact C-N 3.28Å; S123-N125 PolarHBondContact O-N 3.02Å |
| 126 | S | 50.8 | Low | 57.2 | Low | 88 Ų | 88 | 129.1 Ų | 129.1 | 62% | 0.615 | 68% | 0.677 | S | S | * | * | trans | -114.3 | 62.2 | 168.8 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | V128 | S126-V128 VanDerWaalsContact C-N 3.33Š| ||
| 127 | D | 47.2 | Very low | 56.3 | Low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 69% | 0.687 | S | S | * | * | trans | -96.6 | 77.3 | 153.7 | -141.5 | 1.3 | 0 | 0 | 0 | 105.7 | E129 | D127-E129 PolarHBondContact O-N 3.45Š| ||
| 128 | V | 49.3 | Very low | 55.2 | Low | 111 Ų | 111 | 132.9 Ų | 132.9 | 67% | 0.673 | 70% | 0.7 | S | S | * | * | trans | -80.3 | 101.4 | 165.2 | 174.7 | 0 | 0 | 0 | 0 | 104.2 | S126 D130 | S126-V128 VanDerWaalsContact C-N 3.33Å; V128-D130 PolarHBondContact O-N 2.76Å | ||
| 129 | E | 48.9 | Very low | 54.5 | Low | 158 Ų | 158 | 137 Ų | 137 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | -63.2 | 89.5 | 163.5 | -67.5 | -118.8 | 165.5 | 0 | 0 | 107.8 | D127 D131 | D127-E129 PolarHBondContact O-N 3.45Å; E129-D131 PolarHBondContact O-N 3.15Å | ||
| 130 | D | 48.3 | Very low | 53.8 | Low | 158 Ų | 158 | 140.5 Ų | 140.5 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | trans | -70.1 | 88.1 | 151.6 | -98.1 | -22.5 | 0 | 0 | 0 | 106.2 | V128 | V128-D130 PolarHBondContact O-N 2.76Š| ||
| 131 | D | 49.6 | Very low | 53.1 | Low | 119 Ų | 119 | 142.6 Ų | 142.6 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | -119.2 | 109.5 | 162.3 | -157.2 | 12.4 | 0 | 0 | 0 | 109.5 | E129 T133 | E129-D131 PolarHBondContact O-N 3.15Å; D131-T133 PolarHBondContact O-N 3.37Å | ||
| 132 | E | 49.3 | Very low | 52.7 | Low | 188 Ų | 188 | 146.4 Ų | 146.4 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -56.5 | 97.7 | 177.2 | -68.2 | 178.3 | 146.8 | 0 | 0 | 110.4 | ||||
| 133 | T | 55.2 | Low | 52.4 | Low | 130 Ų | 130 | 146.8 Ų | 146.8 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | -102.8 | 87.1 | 171.5 | 36.6 | 0 | 0 | 0 | 0 | 111.3 | D131 | D131-T133 PolarHBondContact O-N 3.37Š| ||
| 134 | Q | 53 | Low | 52 | Low | 155 Ų | 155 | 151.4 Ų | 151.4 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | trans | 36.9 | 105.2 | 150.9 | -62.7 | -163 | -9.5 | 0 | 0 | 118.8 | K136 | Q134-K136 PolarHBondContact O-N 3.17Š| ||
| 135 | D | 47.5 | Very low | 51.7 | Low | 154 Ų | 154 | 151.9 Ų | 151.9 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -51.1 | 116.8 | 148.6 | -83.9 | -34.2 | 0 | 0 | 0 | 111.2 | ||||
| 136 | K | 62.8 | Low | 51.7 | Low | 168 Ų | 168 | 151.7 Ų | 151.7 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | trans | -130.3 | 85.1 | 152.6 | -71.7 | -169.3 | -176.9 | 176.2 | 0 | 108.6 | Q134 F138 | Q134-K136 PolarHBondContact O-N 3.17Å; K136-F138 PolarHBondContact O-N 3.29Å | ||
| 137 | N | 57.8 | Low | 51.8 | Low | 145 Ų | 145 | 156.6 Ų | 156.6 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | -63 | 115.6 | 159.2 | -80.8 | -32.9 | 0 | 0 | 0 | 108.6 | ||||
| 138 | F | 50.6 | Low | 52.2 | Low | 207 Ų | 207 | 157.6 Ų | 157.6 | 91% | 0.908 | 81% | 0.812 | S | S | * | * | trans | -67.2 | 126.2 | 157.8 | -105.5 | -96.8 | 0 | 0 | 0 | 108.2 | K136 | K136-F138 PolarHBondContact O-N 3.29Š| ||
| 139 | T | 54.2 | Low | 52.5 | Low | 198 Ų | 198 | 161.8 Ų | 161.8 | 100% | 1.215 | 83% | 0.825 | S | S | * | * | trans | -102.1 | 0 | 151.4 | -26.2 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 139 of 139 residues in 65.8 ms
(Link to these results)