| 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 | 37.5 | Very low | 58.3 | Low | 250 Ų | 250 | 122.9 Ų | 122.9 | 100% | 1.232 | 73% | 0.734 | S | S | * | * | 0 | 90.4 | 0 | -70.6 | -175.6 | 161.5 | 0 | 0 | 107.9 | |||||
| 2 | S | 38 | Very low | 61.5 | Low | 126 Ų | 126 | 113.7 Ų | 113.7 | 88% | 0.881 | 68% | 0.678 | S | S | * | * | trans | -99.9 | 105.7 | 172 | -169.9 | 0 | 0 | 0 | 0 | 106.6 | G4 | S2-G4 PolarHBondContact O-N 2.93Š| ||
| 3 | G | 33.5 | Very low | 64.1 | Low | 74 Ų | 74 | 111.5 Ų | 111.5 | 76% | 0.763 | 67% | 0.668 | S | S | * | * | trans | -71.1 | 108.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | K5 | G3-K5 PolarHBondContact O-N 3.26Š| ||
| 4 | G | 37 | Very low | 66.5 | Low | 75 Ų | 75 | 105.6 Ų | 105.6 | 77% | 0.773 | 63% | 0.633 | S | S | * | * | trans | -63.3 | 114.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S2 Q6 | S2-G4 PolarHBondContact O-N 2.93Å; G4-Q6 PolarHBondContact O-N 3.18Å; G4-Q6 VanDerWaalsContact O-N 3.14Å | ||
| 5 | K | 45.4 | Very low | 68.5 | Low | 176 Ų | 176 | 104.6 Ų | 104.6 | 77% | 0.765 | 62% | 0.623 | S | S | * | * | trans | -64.6 | 110.8 | 163.8 | -83.6 | -179.1 | 174.5 | -179.7 | 0 | 107 | G3 H7 | G3-K5 PolarHBondContact O-N 3.26Å; K5-H7 VanDerWaalsContact C-N 3.33Å; K5-H7 PolarHBondContact O-CD2 3.44Å; K5-H7 VanDerWaalsContact O-CD2 3.32Å; K5-H7 PolarHBondContact O-N 3.28Å | ||
| 6 | Q | 45.6 | Very low | 70.2 | Confident | 176 Ų | 176 | 108.6 Ų | 108.6 | 82% | 0.822 | 62% | 0.624 | S | S | * | * | trans | -62.2 | 100.9 | 160.7 | -90.5 | 177 | -40.9 | 0 | 0 | 107 | G4 N8 | G4-Q6 PolarHBondContact O-N 3.18Å; G4-Q6 VanDerWaalsContact O-N 3.14Å; Q6-N8 PolarHBondContact O-N 2.89Å | ||
| 7 | H | 57.7 | Low | 71.6 | Confident | 111 Ų | 111 | 104.2 Ų | 104.2 | 51% | 0.514 | 60% | 0.597 | S | S | . | * | trans | -72 | 97 | 171.3 | -77.4 | -90.2 | 0 | 0 | 0 | 108 | K5 A9 E161 | K5-H7 VanDerWaalsContact C-N 3.33Å; K5-H7 PolarHBondContact O-CD2 3.44Å; K5-H7 VanDerWaalsContact O-CD2 3.32Å; K5-H7 PolarHBondContact O-N 3.28Å; H7-A9 PolarHBondContact O-N 3.47Å; H7-E161 HydrophobicContact CB-CG 3.76Å; H7-E161 VanDerWaalsContact CB-OE1 3.25Å; H7-E161 WeakPolarHBondContact CB-OE1 3.47Å; H7-E161 IonicContact CD2-OE1 3.64Å; H7-E161 PolarHBondContact CD2-OE1 2.76Å; H7-E161 IonicContact CG-OE1 3.69Å; H7-E161 WeakPolarHBondContact ND1-CG 3.48Å; H7-E161 IonicContact ND1-OE1 3.84Å; H7-E161 IonicContact NE2-OE1 3.19Å | ||
| 8 | N | 72.7 | Confident | 72.8 | Confident | 130 Ų | 130 | 108.1 Ų | 108.1 | 70% | 0.695 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 122.6 | 178.9 | -75.9 | -16.4 | 0 | 0 | 0 | 109.8 | Q6 | Q6-N8 PolarHBondContact O-N 2.89Š|
| 9 | A | 85.7 | Confident | 74.1 | Confident | 60 Ų | 60 | 104.9 Ų | 104.9 | 50% | 0.496 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 132.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | H7 S159 | H7-A9 PolarHBondContact O-N 3.47Å; A9-S159 CarbonylContact C-O 3.51Å; A9-S159 WeakPolarHBondContact CA-O 3.27Å |
| 10 | V | 92.9 | Very high | 75.3 | Confident | 94 Ų | 94 | 101.9 Ų | 101.9 | 57% | 0.57 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 126.4 | 177.5 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | T158 S159 | V10-T158 CarbonylContact O-C 3.58Å; V10-T158 VanDerWaalsContact O-CA 3.26Å; V10-T158 WeakPolarHBondContact O-CA 3.29Å; V10-S159 PolarHBondContact N-O 2.68Å; V10-S159 PolarHBondContact O-N 2.8Å |
| 11 | S | 95.1 | Very high | 76.3 | Confident | 80 Ų | 80 | 97 Ų | 97 | 56% | 0.559 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 133.6 | 173.6 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | V157 | S11-V157 WeakPolarHBondContact CA-O 3.36Å |
| 12 | I | 96.6 | Very high | 79.2 | Confident | 12 Ų | 12 | 88.6 Ų | 88.6 | 6% | 0.062 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 119.1 | 178.2 | -58.9 | 164.7 | 0 | 0 | 0 | 107.9 | V157 L198 C200 L210 | I12-V157 HydrophobicContact CB-CB 4.35Å; I12-V157 HydrophobicContact CB-CG1 4.13Å; I12-V157 HydrophobicContact CD1-CG1 4.21Å; I12-V157 PolarHBondContact N-O 2.66Å; I12-L198 HydrophobicContact CD1-CB 3.71Å; I12-L198 HydrophobicContact CD1-CD1 4.09Å; I12-L198 HydrophobicContact CD1-CG 4.49Å; I12-C200 HydrophobicContact CG2-CB 3.62Å; I12-L210 HydrophobicContact CD1-CD2 4.04Å |
| 13 | P | 96.1 | Very high | 82 | Confident | 86 Ų | 86 | 88 Ų | 88 | 56% | 0.558 | 48% | 0.484 | S | S | * | . | trans | -66.2 | 137 | -178.6 | 26.6 | -33.8 | 0 | 0 | 0 | 111.7 | N15 | P13-N15 PolarHBondContact O-N 3.25Å; P13-N15 PolarHBondContact O-ND2 3.49Å | ||
| 14 | V | 97.3 | Very high | 85 | Confident | 28 Ų | 28 | 85 Ų | 85 | 17% | 0.17 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 104.5 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | P152 I155 V157 M202 L208 | V14-P152 HydrophobicContact CG1-CB 4.02Å; V14-I155 HydrophobicContact CG2-CB 4.44Å; V14-I155 HydrophobicContact CG2-CG2 4.26Å; V14-V157 HydrophobicContact CG2-CG2 3.76Å; V14-M202 HydrophobicContact CG1-CB 3.88Å; V14-L208 HydrophobicContact CB-CD1 4.5Å; V14-L208 HydrophobicContact CG1-CD1 3.49Å; V14-L208 VanDerWaalsContact CG1-CD1 3.49Å; V14-L208 HydrophobicContact CG2-CD1 4.22Å |
| 15 | N | 96.1 | Very high | 87.9 | Confident | 91 Ų | 91 | 81.8 Ų | 81.8 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125.6 | -178.3 | -58.5 | -71.3 | 0 | 0 | 0 | 111.3 | P13 C200 R201 M202 | P13-N15 PolarHBondContact O-N 3.25Å; P13-N15 PolarHBondContact O-ND2 3.49Å; N15-C200 PolarHBondContact N-O 3.19Å; N15-C200 VanDerWaalsContact N-O 3.08Å; N15-C200 PolarHBondContact ND2-O 2.96Å; N15-R201 CarbonylContact O-C 3.41Å; N15-R201 WeakPolarHBondContact O-CA 3.34Å; N15-M202 PolarHBondContact O-N 2.84Å |
| 16 | R | 95.2 | Very high | 90.4 | Very high | 168 Ų | 168 | 78 Ų | 78 | 63% | 0.634 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 131.9 | 177.5 | -173.9 | 176.7 | 176.3 | 172.4 | -0 | 111.5 | P152 M202 D204 | R16-P152 HydrophobicContact CB-CG 4.37Å; R16-M202 CarbonylContact C-O 3.5Å; R16-M202 WeakPolarHBondContact CA-O 3.27Å; R16-D204 IonicContact CZ-OD1 3.51Å; R16-D204 IonicContact NE-OD1 3.29Å; R16-D204 PolarHBondContact NE-OD1 3.07Å; R16-D204 IonicContact NH2-OD1 3.65Å; R16-D204 PolarHBondContact NH2-OD1 3.01Å |
| 17 | E | 94 | Very high | 92.8 | Very high | 35 Ų | 35 | 72.6 Ų | 72.6 | 16% | 0.164 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.2 | 169.1 | -72.6 | -164.7 | 175.6 | 0 | 0 | 110.7 | R19 Q24 R201 M202 D204 | E17-R19 HydrophobicContact CB-CG 4.19Å; E17-R19 PolarHBondContact O-N 2.85Å; E17-R19 IonicContact OE1-NH2 2.76Å; E17-R19 PolarHBondContact OE1-NH2 2.99Å; E17-R19 IonicContact OE2-CZ 2.63Å; E17-R19 IonicContact OE2-NE 3.57Å; E17-R19 PolarHBondContact OE2-NE 2.98Å; E17-R19 IonicContact OE2-NH2 3.1Å; E17-R19 PolarHBondContact OE2-NH2 2.72Å; E17-R19 VanDerWaalsContact OE2-NH2 3.07Å; E17-Q24 PolarHBondContact OE2-NE2 2.85Å; E17-R201 HydrophobicContact CG-CB 4.25Å; E17-R201 WeakPolarHBondContact OE1-CD 3.22Å; E17-R201 IonicContact OE1-CZ 3.87Å; E17-R201 IonicContact OE1-NE 3.41Å; E17-R201 IonicContact OE1-NH1 2.78Å; E17-R201 PolarHBondContact OE1-NH1 2.9Å; E17-R201 IonicContact OE2-NH1 3.05Å; E17-M202 PolarHBondContact N-O 3.5Å; E17-D204 PolarHBondContact O-N 2.89Å |
| 18 | Q | 94.8 | Very high | 94.6 | Very high | 173 Ų | 173 | 68 Ų | 68 | 81% | 0.808 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -80.7 | 52.7 | 179.9 | -64.2 | -177.1 | 8.7 | 0 | 0 | 112.7 | D204 | Q18-D204 WeakPolarHBondContact CA-OD2 3.06Š|
| 19 | R | 96.4 | Very high | 95.7 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 19% | 0.185 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -156.9 | 153.7 | 177.7 | 56.8 | -176.7 | 177.7 | -174.9 | -4.5 | 110.2 | E17 K23 Q24 D27 T203 D204 | E17-R19 HydrophobicContact CB-CG 4.19Å; E17-R19 PolarHBondContact O-N 2.85Å; E17-R19 IonicContact OE1-NH2 2.76Å; E17-R19 PolarHBondContact OE1-NH2 2.99Å; E17-R19 IonicContact OE2-CZ 2.63Å; E17-R19 IonicContact OE2-NE 3.57Å; E17-R19 PolarHBondContact OE2-NE 2.98Å; E17-R19 IonicContact OE2-NH2 3.1Å; E17-R19 PolarHBondContact OE2-NH2 2.72Å; E17-R19 VanDerWaalsContact OE2-NH2 3.07Å; R19-K23 HydrophobicContact CB-CB 4.16Å; R19-K23 HydrophobicContact CB-CD 3.9Å; R19-K23 HydrophobicContact CB-CG 4.07Å; R19-Q24 HydrophobicContact CG-CB 4.22Å; R19-D27 WeakPolarHBondContact CD-OD2 3.18Å; R19-D27 IonicContact CZ-OD2 3.38Å; R19-D27 IonicContact NE-OD2 3.81Å; R19-D27 IonicContact NH1-OD2 3.07Å; R19-D27 PolarHBondContact NH1-OD2 2.79Å; R19-T203 WeakPolarHBondContact O-CA 3.41Å; R19-T203 WeakPolarHBondContact O-CB 3.18Å; R19-D204 PolarHBondContact N-OD2 2.98Å; R19-D204 PolarHBondContact O-N 2.88Å |
| 20 | S | 97.7 | Very high | 96.1 | Very high | 43 Ų | 43 | 61.4 Ų | 61.4 | 30% | 0.301 | 31% | 0.31 | S | S | . | . | trans | -71.7 | 161.6 | 170.3 | 64.4 | 0 | 0 | 0 | 0 | 111.2 | E22 K23 Q24 D205 | S20-E22 PolarHBondContact O-N 2.81Å; S20-K23 PolarHBondContact O-N 3.11Å; S20-K23 VanDerWaalsContact O-N 3.17Å; S20-K23 PolarHBondContact OG-N 2.86Å; S20-Q24 WeakPolarHBondContact O-CB 3.19Å; S20-Q24 PolarHBondContact O-N 2.93Å; S20-D205 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 21 | F | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.2 | -39.1 | 172.6 | 177.6 | -121.8 | 0 | 0 | 0 | 112.6 | Q24 R25 M70 L73 R74 M77 R144 T203 D205 V207 M209 | F21-Q24 PolarHBondContact O-N 2.82Å; F21-R25 PolarHBondContact O-N 2.76Å; F21-M70 HydrophobicContact CD1-CE 3.56Å; F21-M70 HydrophobicContact CE1-CE 3.52Å; F21-M70 HydrophobicContact CE1-SD 4.4Å; F21-M70 HydrophobicContact CZ-CE 4.44Å; F21-L73 HydrophobicContact CE1-CB 4.12Å; F21-L73 HydrophobicContact CZ-CB 4Å; F21-L73 HydrophobicContact CZ-CD1 4.09Å; F21-R74 HydrophobicContact CE1-CG 4.4Å; F21-M77 HydrophobicContact CD1-CE 3.43Å; F21-M77 VanDerWaalsContact CD1-CE 3.43Å; F21-M77 HydrophobicContact CE1-CE 3.34Å; F21-M77 HydrophobicContact CE2-CE 4.46Å; F21-M77 HydrophobicContact CG-CE 4.05Å; F21-M77 HydrophobicContact CZ-CE 3.91Å; F21-R144 VanDerWaalsContact CE2-NE 3.28Å; F21-T203 HydrophobicContact CB-CG2 4.4Å; F21-D205 PolarHBondContact N-OD1 3.26Å; F21-D205 PolarHBondContact N-OD2 2.69Å; F21-V207 HydrophobicContact CB-CB 4.07Å; F21-V207 HydrophobicContact CB-CG2 3.65Å; F21-V207 HydrophobicContact CD1-CG2 4.41Å; F21-V207 HydrophobicContact CD2-CG1 4.17Å; F21-V207 HydrophobicContact CG-CB 4.32Å; F21-V207 HydrophobicContact CG-CG1 4.31Å; F21-V207 HydrophobicContact CG-CG2 3.99Å; F21-M209 HydrophobicContact CD2-CE 4.2Å; F21-M209 HydrophobicContact CE2-CE 3.89Å |
| 22 | E | 97.7 | Very high | 96.1 | Very high | 73 Ų | 73 | 55.6 Ų | 55.6 | 34% | 0.341 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 176 | -169.5 | -175.9 | 151.6 | 0 | 0 | 111.6 | S20 Q24 R25 R26 W66 M70 | S20-E22 PolarHBondContact O-N 2.81Å; E22-Q24 PolarHBondContact O-N 3.35Å; E22-R25 PolarHBondContact O-N 3.12Å; E22-R26 WeakPolarHBondContact O-CG 3.38Å; E22-R26 PolarHBondContact O-N 2.85Å; E22-R26 IonicContact OE1-CZ 3.8Å; E22-R26 IonicContact OE1-NE 2.82Å; E22-R26 PolarHBondContact OE1-NE 3.13Å; E22-R26 IonicContact OE1-NH2 3.27Å; E22-R26 PolarHBondContact OE1-NH2 2.86Å; E22-W66 HydrophobicContact CG-CH2 4.4Å; E22-W66 HydrophobicContact CG-CZ2 3.48Å; E22-W66 VanDerWaalsContact CG-CZ2 3.48Å; E22-M70 HydrophobicContact CB-CE 4.18Å; E22-M70 HydrophobicContact CG-CE 4.3Å |
| 23 | K | 97.7 | Very high | 95.8 | Very high | 112 Ų | 112 | 58.8 Ų | 58.8 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 179 | -179.5 | 173 | 179.1 | -176.8 | 0 | 111.3 | R19 S20 R25 R26 D27 | R19-K23 HydrophobicContact CB-CB 4.16Å; R19-K23 HydrophobicContact CB-CD 3.9Å; R19-K23 HydrophobicContact CB-CG 4.07Å; S20-K23 PolarHBondContact O-N 3.11Å; S20-K23 VanDerWaalsContact O-N 3.17Å; S20-K23 PolarHBondContact OG-N 2.86Å; K23-R25 VanDerWaalsContact C-N 3.27Å; K23-R25 PolarHBondContact O-N 3.22Å; K23-R26 PolarHBondContact O-N 3.14Å; K23-R26 VanDerWaalsContact O-N 3.15Å; K23-D27 WeakPolarHBondContact O-CB 3.42Å; K23-D27 PolarHBondContact O-N 3.18Å |
| 24 | Q | 96.9 | Very high | 95.3 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 6% | 0.056 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.6 | -42.9 | 173.2 | -178.7 | -168.4 | 58.7 | 0 | 0 | 112 | E17 R19 S20 F21 E22 D27 L28 | E17-Q24 PolarHBondContact OE2-NE2 2.85Å; R19-Q24 HydrophobicContact CG-CB 4.22Å; S20-Q24 WeakPolarHBondContact O-CB 3.19Å; S20-Q24 PolarHBondContact O-N 2.93Å; F21-Q24 PolarHBondContact O-N 2.82Å; E22-Q24 PolarHBondContact O-N 3.35Å; Q24-D27 PolarHBondContact O-N 3.29Å; Q24-L28 PolarHBondContact O-N 2.84Å; Q24-L28 VanDerWaalsContact O-N 3.08Å |
| 25 | R | 97 | Very high | 93.9 | Very high | 8 Ų | 8 | 61.8 Ų | 61.8 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 177 | -176.1 | 60.4 | 172.3 | -155.3 | -5.5 | 112.4 | F21 E22 K23 L28 L29 W66 M70 E132 | F21-R25 PolarHBondContact O-N 2.76Å; E22-R25 PolarHBondContact O-N 3.12Å; K23-R25 VanDerWaalsContact C-N 3.27Å; K23-R25 PolarHBondContact O-N 3.22Å; R25-L28 WeakPolarHBondContact O-CB 3.29Å; R25-L28 PolarHBondContact O-N 2.81Å; R25-L29 PolarHBondContact O-N 2.83Å; R25-W66 HydrophobicContact CB-CH2 3.91Å; R25-W66 HydrophobicContact CB-CZ3 4.42Å; R25-W66 HydrophobicContact CG-CH2 3.74Å; R25-W66 HydrophobicContact CG-CZ3 3.76Å; R25-M70 HydrophobicContact CB-SD 4.03Å; R25-M70 HydrophobicContact CG-SD 3.87Å; R25-E132 IonicContact CZ-OE2 3.86Å; R25-E132 IonicContact NH1-OE2 3.12Å; R25-E132 PolarHBondContact NH1-OE2 3.38Å; R25-E132 IonicContact NH2-OE2 3.48Å |
| 26 | R | 97.5 | Very high | 91.9 | Very high | 96 Ų | 96 | 59.8 Ų | 59.8 | 36% | 0.362 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 175.1 | -68.3 | -175.6 | -177 | -87.1 | -2.2 | 111.6 | E22 K23 L28 L29 T30 W63 W66 | E22-R26 WeakPolarHBondContact O-CG 3.38Å; E22-R26 PolarHBondContact O-N 2.85Å; E22-R26 IonicContact OE1-CZ 3.8Å; E22-R26 IonicContact OE1-NE 2.82Å; E22-R26 PolarHBondContact OE1-NE 3.13Å; E22-R26 IonicContact OE1-NH2 3.27Å; E22-R26 PolarHBondContact OE1-NH2 2.86Å; K23-R26 PolarHBondContact O-N 3.14Å; K23-R26 VanDerWaalsContact O-N 3.15Å; R26-L28 VanDerWaalsContact C-N 3.3Å; R26-L28 PolarHBondContact O-N 3.11Å; R26-L29 PolarHBondContact O-N 2.73Å; R26-T30 VanDerWaalsContact O-CB 3.31Å; R26-T30 WeakPolarHBondContact O-CB 3.3Å; R26-T30 PolarHBondContact O-N 2.81Å; R26-T30 PolarHBondContact O-OG1 2.96Å; R26-W63 HydrophobicContact CB-CH2 3.98Å; R26-W63 HydrophobicContact CG-CH2 3.92Å; R26-W63 HydrophobicContact CG-CZ3 4.07Å; R26-W66 HydrophobicContact CB-CH2 4.32Å; R26-W66 HydrophobicContact CG-CH2 3.31Å; R26-W66 HydrophobicContact CG-CZ2 3.62Å; R26-W66 HydrophobicContact CG-CZ3 4.14Å |
| 27 | D | 96.1 | Very high | 89.7 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 34% | 0.337 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 178.9 | -64.3 | -17.2 | 0 | 0 | 0 | 111.1 | R19 K23 Q24 G31 | R19-D27 WeakPolarHBondContact CD-OD2 3.18Å; R19-D27 IonicContact CZ-OD2 3.38Å; R19-D27 IonicContact NE-OD2 3.81Å; R19-D27 IonicContact NH1-OD2 3.07Å; R19-D27 PolarHBondContact NH1-OD2 2.79Å; K23-D27 WeakPolarHBondContact O-CB 3.42Å; K23-D27 PolarHBondContact O-N 3.18Å; Q24-D27 PolarHBondContact O-N 3.29Å; D27-G31 PolarHBondContact O-N 2.88Å |
| 28 | L | 95.2 | Very high | 87.5 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.7 | -53.8 | 174.9 | 172.5 | 66.2 | 0 | 0 | 0 | 111.7 | Q24 R25 R26 G31 L32 E135 | Q24-L28 PolarHBondContact O-N 2.84Å; Q24-L28 VanDerWaalsContact O-N 3.08Å; R25-L28 WeakPolarHBondContact O-CB 3.29Å; R25-L28 PolarHBondContact O-N 2.81Å; R26-L28 VanDerWaalsContact C-N 3.3Å; R26-L28 PolarHBondContact O-N 3.11Å; L28-G31 PolarHBondContact O-N 3.47Å; L28-L32 HydrophobicContact CD1-CD1 3.93Å; L28-L32 HydrophobicContact CD1-CG 4.28Å; L28-L32 HydrophobicContact CG-CD1 4.19Å; L28-L32 WeakPolarHBondContact O-CG 3.33Å; L28-L32 PolarHBondContact O-N 3.1Å; L28-E135 HydrophobicContact CD1-CB 4.37Å; L28-E135 HydrophobicContact CD1-CG 3.67Å |
| 29 | L | 95.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | -178.9 | -66 | -179.1 | 0 | 0 | 0 | 110.8 | R25 R26 G31 L32 E33 W58 I59 W63 W66 | R25-L29 PolarHBondContact O-N 2.83Å; R26-L29 PolarHBondContact O-N 2.73Å; L29-G31 VanDerWaalsContact C-N 3.33Å; L29-G31 PolarHBondContact O-N 3.2Å; L29-L32 PolarHBondContact O-N 3.25Å; L29-E33 WeakPolarHBondContact O-CG 3.07Å; L29-E33 PolarHBondContact O-N 3.36Å; L29-W58 HydrophobicContact CD2-CH2 3.79Å; L29-W58 HydrophobicContact CD2-CZ2 4.37Å; L29-W58 HydrophobicContact CD2-CZ3 3.94Å; L29-I59 HydrophobicContact CD2-CG1 4.39Å; L29-I59 HydrophobicContact CD2-CG2 4.49Å; L29-W63 HydrophobicContact CB-CH2 4.29Å; L29-W63 HydrophobicContact CB-CZ2 3.55Å; L29-W63 HydrophobicContact CD1-CD2 3.85Å; L29-W63 HydrophobicContact CD1-CE3 4.11Å; L29-W63 HydrophobicContact CD1-CG 4.39Å; L29-W63 HydrophobicContact CD1-CH2 4.23Å; L29-W63 HydrophobicContact CD1-CZ2 3.99Å; L29-W63 HydrophobicContact CD1-CZ3 4.27Å; L29-W63 HydrophobicContact CG-CZ2 4.43Å; L29-W66 HydrophobicContact CD1-CE3 4.31Å; L29-W66 HydrophobicContact CD1-CZ3 3.84Å |
| 30 | T | 95.4 | Very high | 83.3 | Confident | 51 Ų | 51 | 55.1 Ų | 55.1 | 31% | 0.313 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 177.7 | -52.6 | 0 | 0 | 0 | 0 | 111 | R26 L32 E33 H34 | R26-T30 VanDerWaalsContact O-CB 3.31Å; R26-T30 WeakPolarHBondContact O-CB 3.3Å; R26-T30 PolarHBondContact O-N 2.81Å; R26-T30 PolarHBondContact O-OG1 2.96Å; T30-L32 VanDerWaalsContact C-N 3.31Å; T30-L32 PolarHBondContact O-N 2.85Å; T30-E33 PolarHBondContact O-N 2.86Å; T30-H34 VanDerWaalsContact CG2-CE1 3.42Å; T30-H34 WeakPolarHBondContact CG2-CE1 3.29Å; T30-H34 WeakPolarHBondContact CG2-ND1 3.5Å; T30-H34 PolarHBondContact O-N 2.99Å; T30-H34 PolarHBondContact O-ND1 2.67Å |
| 31 | G | 94.1 | Very high | 80.8 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 45% | 0.454 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D27 L28 L29 G35 | D27-G31 PolarHBondContact O-N 2.88Å; L28-G31 PolarHBondContact O-N 3.47Å; L29-G31 VanDerWaalsContact C-N 3.33Å; L29-G31 PolarHBondContact O-N 3.2Å; G31-G35 VanDerWaalsContact O-CA 3.3Å; G31-G35 WeakPolarHBondContact O-CA 3.18Å; G31-G35 PolarHBondContact O-N 3.43Å |
| 32 | L | 92.5 | Very high | 78.2 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71 | -37.5 | 176.1 | -69.4 | 173.5 | 0 | 0 | 0 | 112.8 | L28 L29 T30 H39 W58 I59 V133 G134 | L28-L32 HydrophobicContact CD1-CD1 3.93Å; L28-L32 HydrophobicContact CD1-CG 4.28Å; L28-L32 HydrophobicContact CG-CD1 4.19Å; L28-L32 WeakPolarHBondContact O-CG 3.33Å; L28-L32 PolarHBondContact O-N 3.1Å; L29-L32 PolarHBondContact O-N 3.25Å; T30-L32 VanDerWaalsContact C-N 3.31Å; T30-L32 PolarHBondContact O-N 2.85Å; L32-H39 WeakPolarHBondContact CD2-NE2 3.41Å; L32-W58 HydrophobicContact CD1-CH2 4.26Å; L32-W58 HydrophobicContact CD1-CZ3 3.67Å; L32-I59 HydrophobicContact CB-CD1 3.59Å; L32-I59 HydrophobicContact CB-CG1 4.39Å; L32-V133 HydrophobicContact CD1-CG1 4.01Å; L32-G134 WeakPolarHBondContact CD2-O 3.46Å |
| 33 | E | 90.8 | Very high | 75.7 | Confident | 80 Ų | 80 | 64.5 Ų | 64.5 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 174.5 | -69.7 | 173 | 155.4 | 0 | 0 | 112.2 | L29 T30 I59 W63 | L29-E33 WeakPolarHBondContact O-CG 3.07Å; L29-E33 PolarHBondContact O-N 3.36Å; T30-E33 PolarHBondContact O-N 2.86Å; E33-I59 HydrophobicContact CG-CD1 4.38Å; E33-I59 HydrophobicContact CG-CG2 3.49Å; E33-I59 VanDerWaalsContact CG-CG2 3.49Å; E33-I59 VanDerWaalsContact OE1-CG2 3.29Å; E33-I59 WeakPolarHBondContact OE1-CG2 3.32Å; E33-W63 PolarHBondContact OE1-NE1 3.17Å |
| 34 | H | 85.5 | Confident | 73.4 | Confident | 150 Ų | 150 | 65.9 Ų | 65.9 | 69% | 0.694 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -77.5 | -28.2 | -177 | -66.4 | 83.4 | 0 | 0 | 0 | 112 | T30 G36 | T30-H34 VanDerWaalsContact CG2-CE1 3.42Å; T30-H34 WeakPolarHBondContact CG2-CE1 3.29Å; T30-H34 WeakPolarHBondContact CG2-ND1 3.5Å; T30-H34 PolarHBondContact O-N 2.99Å; T30-H34 PolarHBondContact O-ND1 2.67Å; H34-G36 PolarHBondContact O-N 3.4Å |
| 35 | G | 68.8 | Low | 71.7 | Confident | 27 Ų | 27 | 67.7 Ų | 67.7 | 28% | 0.278 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 18.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G31 G37 A38 | G31-G35 VanDerWaalsContact O-CA 3.3Å; G31-G35 WeakPolarHBondContact O-CA 3.18Å; G31-G35 PolarHBondContact O-N 3.43Å; G35-G37 PolarHBondContact O-N 3.5Å; G35-A38 PolarHBondContact O-N 3.1Å |
| 36 | G | 53.8 | Low | 70.2 | Confident | 49 Ų | 49 | 69.3 Ų | 69.3 | 51% | 0.505 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 15.5 | -176 | 0 | 0 | 0 | 0 | 0 | 117.9 | H34 | H34-G36 PolarHBondContact O-N 3.4Š|
| 37 | G | 48.2 | Very low | 69.5 | Low | 48 Ų | 48 | 65.9 Ų | 65.9 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | -16.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G35 G41 | G35-G37 PolarHBondContact O-N 3.5Å; G37-G41 WeakPolarHBondContact O-CA 3.5Å; G37-G41 PolarHBondContact O-N 3.39Å |
| 38 | A | 47.2 | Very low | 68.9 | Low | 63 Ų | 63 | 63.5 Ų | 63.5 | 52% | 0.521 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -76.4 | -36.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G35 | G35-A38 PolarHBondContact O-N 3.1Å |
| 39 | H | 53.1 | Low | 68.4 | Low | 50 Ų | 50 | 72 Ų | 72 | 23% | 0.231 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -91 | -20.7 | 176.1 | -51.7 | -26 | 0 | 0 | 0 | 112.8 | L32 E135 D136 G137 | L32-H39 WeakPolarHBondContact CD2-NE2 3.41Å; H39-E135 PolarHBondContact CE1-O 3.3Å; H39-E135 PolarHBondContact NE2-O 3.21Å; H39-D136 WeakPolarHBondContact CE1-CA 3.39Å; H39-D136 PolarHBondContact CE1-O 2.78Å; H39-D136 VanDerWaalsContact ND1-C 3.3Å; H39-D136 PolarHBondContact ND1-O 3.32Å; H39-G137 VanDerWaalsContact CD2-CA 3.42Å; H39-G137 WeakPolarHBondContact CD2-CA 3.48Å; H39-G137 VanDerWaalsContact CE1-CA 3.45Å; H39-G137 WeakPolarHBondContact CE1-CA 3.28Å; H39-G137 PolarHBondContact CE1-N 3.37Å; H39-G137 WeakPolarHBondContact NE2-CA 3.49Å; H39-G137 PolarHBondContact NE2-N 3.49Å; H39-G137 VanDerWaalsContact NE2-N 3.12Å |
| 40 | R | 50.1 | Low | 68.1 | Low | 166 Ų | 166 | 74.5 Ų | 74.5 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -90.5 | -23.1 | 176.3 | -69.6 | -171.5 | 178.1 | -152.5 | 1.6 | 113.2 | P52 D56 | R40-P52 HydrophobicContact CG-CB 4.38Å; R40-D56 IonicContact CZ-OD2 3.43Å; R40-D56 IonicContact NH2-OD2 2.71Å; R40-D56 PolarHBondContact NH2-OD2 3.07Å |
| 41 | G | 46.3 | Very low | 67.9 | Low | 57 Ų | 57 | 72.3 Ų | 72.3 | 59% | 0.588 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -108.5 | -7.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | G37 | G37-G41 WeakPolarHBondContact O-CA 3.5Å; G37-G41 PolarHBondContact O-N 3.39Å |
| 42 | N | 43.2 | Very low | 67.7 | Low | 137 Ų | 137 | 71.8 Ų | 71.8 | 73% | 0.733 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -103.5 | 108.2 | 169.9 | -93.8 | -10.2 | 0 | 0 | 0 | 110.5 | I44 | N42-I44 PolarHBondContact O-N 2.86Š|
| 43 | S | 44.3 | Very low | 67.6 | Low | 119 Ų | 119 | 73.9 Ų | 73.9 | 83% | 0.832 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -45.9 | 98.3 | 176.3 | -165.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 44 | I | 50.4 | Low | 67.6 | Low | 141 Ų | 141 | 70.9 Ų | 70.9 | 72% | 0.723 | 43% | 0.427 | S | S | * | . | trans | 160.9 | 101.2 | 150.6 | -79.5 | 150.8 | 0 | 0 | 0 | 103.5 | N42 P46 | N42-I44 PolarHBondContact O-N 2.86Å; I44-P46 VanDerWaalsContact O-CD 3.26Å; I44-P46 WeakPolarHBondContact O-CD 3.46Å | ||
| 45 | A | 59.4 | Low | 68 | Low | 51 Ų | 51 | 64 Ų | 64 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | trans | -58.9 | 111.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 106 | Y47 T48 | A45-Y47 PolarHBondContact O-N 3.26Å; A45-T48 WeakPolarHBondContact CB-O 3.46Å | ||
| 46 | P | 65.6 | Low | 69.1 | Low | 41 Ų | 41 | 65.6 Ų | 65.6 | 27% | 0.266 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -65.9 | -21.8 | -154.3 | 22 | -32.7 | 0 | 0 | 0 | 113.1 | I44 W51 K138 | I44-P46 VanDerWaalsContact O-CD 3.26Å; I44-P46 WeakPolarHBondContact O-CD 3.46Å; P46-W51 HydrophobicContact CG-CG 4.18Å; P46-K138 HydrophobicContact CB-CG 4.4Å; P46-K138 HydrophobicContact CG-CG 4.39Å |
| 47 | Y | 83.7 | Confident | 71 | Confident | 25 Ų | 25 | 68 Ų | 68 | 10% | 0.098 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -139 | -49.8 | -169.6 | -47 | -53.1 | 0 | 0 | 0 | 112.9 | A45 W51 K138 V139 V216 L222 | A45-Y47 PolarHBondContact O-N 3.26Å; Y47-W51 AromaticContact CD2-CD2 3.6Å; Y47-W51 HydrophobicContact CD2-CD2 3.6Å; Y47-W51 AromaticContact CD2-CE2 3.61Å; Y47-W51 AromaticContact CD2-CE3 3.78Å; Y47-W51 HydrophobicContact CD2-CE3 3.78Å; Y47-W51 HydrophobicContact CD2-CG 4.14Å; Y47-W51 HydrophobicContact CD2-CH2 4.02Å; Y47-W51 AromaticContact CD2-CZ2 3.84Å; Y47-W51 HydrophobicContact CD2-CZ2 3.84Å; Y47-W51 AromaticContact CD2-CZ3 3.99Å; Y47-W51 HydrophobicContact CD2-CZ3 3.99Å; Y47-W51 HydrophobicContact CE2-CD2 4.26Å; Y47-W51 AromaticContact CE2-CE2 3.77Å; Y47-W51 HydrophobicContact CE2-CH2 4.15Å; Y47-W51 AromaticContact CE2-CZ2 3.73Å; Y47-W51 HydrophobicContact CE2-CZ2 3.73Å; Y47-K138 WeakPolarHBondContact OH-CB 3.28Å; Y47-V139 HydrophobicContact CE2-CB 4.4Å; Y47-V139 HydrophobicContact CE2-CG2 3.87Å; Y47-V139 PolarHBondContact OH-N 3.5Å; Y47-V216 HydrophobicContact CD1-CG1 3.83Å; Y47-V216 HydrophobicContact CE1-CB 3.93Å; Y47-V216 HydrophobicContact CE1-CG1 3.74Å; Y47-V216 HydrophobicContact CE1-CG2 3.65Å; Y47-L222 HydrophobicContact CD1-CB 4.19Å; Y47-L222 HydrophobicContact CD1-CD1 3.72Å; Y47-L222 HydrophobicContact CD1-CG 3.9Å; Y47-L222 HydrophobicContact CD2-CB 3.99Å; Y47-L222 HydrophobicContact CD2-CD1 4.24Å; Y47-L222 HydrophobicContact CD2-CG 4.49Å; Y47-L222 HydrophobicContact CE1-CD1 3.72Å; Y47-L222 HydrophobicContact CE1-CG 4.4Å; Y47-L222 HydrophobicContact CE2-CD1 4.21Å; Y47-L222 HydrophobicContact CG-CB 3.72Å; Y47-L222 HydrophobicContact CG-CD1 4.02Å; Y47-L222 HydrophobicContact CG-CG 3.97Å |
| 48 | T | 84.1 | Confident | 73.2 | Confident | 13 Ų | 13 | 66.3 Ų | 66.3 | 8% | 0.08 | 38% | 0.378 | C | S | . | . | trans | -141.2 | 154.4 | 178.5 | 61.3 | 0 | 0 | 0 | 0 | 110.5 | A45 D50 W51 | A45-T48 WeakPolarHBondContact CB-O 3.46Å; T48-D50 WeakPolarHBondContact CB-OD1 3.4Å; T48-D50 PolarHBondContact O-N 3.11Å; T48-D50 PolarHBondContact OG1-OD1 3.49Å; T48-W51 WeakPolarHBondContact O-CB 3.33Å; T48-W51 PolarHBondContact O-N 3.2Å; T48-W51 PolarHBondContact OG1-N 3.01Å | ||
| 49 | E | 84.5 | Confident | 75.5 | Confident | 192 Ų | 192 | 63.4 Ų | 63.4 | 90% | 0.897 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -31.4 | -180 | -64.3 | -178.5 | 175.9 | 0 | 0 | 112.7 | ||
| 50 | D | 88.4 | Confident | 77.5 | Confident | 53 Ų | 53 | 64.9 Ų | 64.9 | 28% | 0.283 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 10.1 | 178.5 | 69.4 | -30.7 | 0 | 0 | 0 | 113.6 | T48 P52 S53 T54 R233 | T48-D50 WeakPolarHBondContact CB-OD1 3.4Å; T48-D50 PolarHBondContact O-N 3.11Å; T48-D50 PolarHBondContact OG1-OD1 3.49Å; D50-P52 VanDerWaalsContact C-CD 3.5Å; D50-S53 PolarHBondContact O-N 2.95Å; D50-S53 PolarHBondContact O-OG 2.9Å; D50-T54 PolarHBondContact O-N 2.89Å; D50-T54 PolarHBondContact O-OG1 2.71Å; D50-R233 VanDerWaalsContact CG-NH1 3.34Å; D50-R233 IonicContact OD1-CZ 2.68Å; D50-R233 IonicContact OD1-NH1 2.83Å; D50-R233 PolarHBondContact OD1-NH1 2.98Å; D50-R233 IonicContact OD1-NH2 3.26Å; D50-R233 PolarHBondContact OD1-NH2 3.13Å; D50-R233 IonicContact OD2-CZ 3.33Å; D50-R233 IonicContact OD2-NH1 2.66Å; D50-R233 PolarHBondContact OD2-NH1 2.79Å; D50-R233 IonicContact OD2-NH2 3.11Å; D50-R233 PolarHBondContact OD2-NH2 3.28Å |
| 51 | W | 91 | Very high | 79.7 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54.1 | -44 | 177.7 | 179.2 | -104.1 | 0 | 0 | 0 | 112.9 | P46 Y47 T48 S53 T54 V55 V133 G137 V139 L224 | P46-W51 HydrophobicContact CG-CG 4.18Å; Y47-W51 AromaticContact CD2-CD2 3.6Å; Y47-W51 HydrophobicContact CD2-CD2 3.6Å; Y47-W51 AromaticContact CD2-CE2 3.61Å; Y47-W51 AromaticContact CD2-CE3 3.78Å; Y47-W51 HydrophobicContact CD2-CE3 3.78Å; Y47-W51 HydrophobicContact CD2-CG 4.14Å; Y47-W51 HydrophobicContact CD2-CH2 4.02Å; Y47-W51 AromaticContact CD2-CZ2 3.84Å; Y47-W51 HydrophobicContact CD2-CZ2 3.84Å; Y47-W51 AromaticContact CD2-CZ3 3.99Å; Y47-W51 HydrophobicContact CD2-CZ3 3.99Å; Y47-W51 HydrophobicContact CE2-CD2 4.26Å; Y47-W51 AromaticContact CE2-CE2 3.77Å; Y47-W51 HydrophobicContact CE2-CH2 4.15Å; Y47-W51 AromaticContact CE2-CZ2 3.73Å; Y47-W51 HydrophobicContact CE2-CZ2 3.73Å; T48-W51 WeakPolarHBondContact O-CB 3.33Å; T48-W51 PolarHBondContact O-N 3.2Å; T48-W51 PolarHBondContact OG1-N 3.01Å; W51-S53 PolarHBondContact O-N 3.4Å; W51-T54 HydrophobicContact CE3-CG2 4.33Å; W51-T54 HydrophobicContact CZ3-CG2 4.4Å; W51-T54 WeakPolarHBondContact O-CA 3.42Å; W51-T54 VanDerWaalsContact O-CB 3.31Å; W51-T54 WeakPolarHBondContact O-CB 3.48Å; W51-T54 PolarHBondContact O-N 3.06Å; W51-V55 HydrophobicContact CD2-CG2 4.05Å; W51-V55 VanDerWaalsContact CE2-CG2 3.46Å; W51-V55 HydrophobicContact CG-CG2 4.41Å; W51-V55 HydrophobicContact CH2-CG2 4.47Å; W51-V55 HydrophobicContact CZ2-CG2 3.71Å; W51-V55 WeakPolarHBondContact O-CG2 3.23Å; W51-V55 PolarHBondContact O-N 3.27Å; W51-V133 HydrophobicContact CH2-CG2 4.29Å; W51-V133 HydrophobicContact CZ2-CG2 4.06Å; W51-G137 PolarHBondContact NE1-O 3.32Å; W51-V139 HydrophobicContact CH2-CG2 3.82Å; W51-V139 HydrophobicContact CZ2-CG2 4.11Å; W51-L224 HydrophobicContact CH2-CD1 4.45Å; W51-L224 HydrophobicContact CH2-CD2 4.15Å; W51-L224 HydrophobicContact CH2-CG 4.13Å; W51-L224 HydrophobicContact CZ3-CD2 4.48Å; W51-L224 HydrophobicContact CZ3-CG 4.14Å |
| 52 | P | 90 | Very high | 82.1 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 21% | 0.214 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.9 | -46.2 | 176.9 | -26.1 | 36.1 | 0 | 0 | 0 | 113.1 | R40 D50 T54 V55 D56 | R40-P52 HydrophobicContact CG-CB 4.38Å; D50-P52 VanDerWaalsContact C-CD 3.5Å; P52-T54 VanDerWaalsContact C-N 3.31Å; P52-T54 PolarHBondContact O-N 3.03Å; P52-V55 PolarHBondContact O-N 3.12Å; P52-D56 VanDerWaalsContact O-CG 3.24Å; P52-D56 PolarHBondContact O-N 2.67Å |
| 53 | S | 90.4 | Very high | 84.6 | Confident | 53 Ų | 53 | 53.7 Ų | 53.7 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.1 | -31.1 | 175.4 | 42.8 | 0 | 0 | 0 | 0 | 113.1 | D50 W51 V55 D56 N57 | D50-S53 PolarHBondContact O-N 2.95Å; D50-S53 PolarHBondContact O-OG 2.9Å; W51-S53 PolarHBondContact O-N 3.4Å; S53-V55 VanDerWaalsContact C-N 3.34Å; S53-D56 PolarHBondContact O-N 3.37Å; S53-N57 WeakPolarHBondContact O-CB 3.34Å; S53-N57 PolarHBondContact O-N 2.93Å; S53-N57 PolarHBondContact O-ND2 3.02Å; S53-N57 VanDerWaalsContact O-ND2 3.12Å |
| 54 | T | 92.4 | Very high | 87.1 | Confident | 16 Ų | 16 | 56 Ų | 56 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 174.1 | -58.7 | 0 | 0 | 0 | 0 | 110.4 | D50 W51 P52 W58 L224 | D50-T54 PolarHBondContact O-N 2.89Å; D50-T54 PolarHBondContact O-OG1 2.71Å; W51-T54 HydrophobicContact CE3-CG2 4.33Å; W51-T54 HydrophobicContact CZ3-CG2 4.4Å; W51-T54 WeakPolarHBondContact O-CA 3.42Å; W51-T54 VanDerWaalsContact O-CB 3.31Å; W51-T54 WeakPolarHBondContact O-CB 3.48Å; W51-T54 PolarHBondContact O-N 3.06Å; P52-T54 VanDerWaalsContact C-N 3.31Å; P52-T54 PolarHBondContact O-N 3.03Å; T54-W58 WeakPolarHBondContact O-CB 3.45Å; T54-W58 PolarHBondContact O-N 3.42Å; T54-L224 HydrophobicContact CG2-CB 3.9Å; T54-L224 HydrophobicContact CG2-CD1 4.12Å; T54-L224 HydrophobicContact CG2-CG 3.92Å |
| 55 | V | 93.1 | Very high | 89.3 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 175.4 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | W51 P52 S53 N57 W58 I59 V133 | W51-V55 HydrophobicContact CD2-CG2 4.05Å; W51-V55 VanDerWaalsContact CE2-CG2 3.46Å; W51-V55 HydrophobicContact CG-CG2 4.41Å; W51-V55 HydrophobicContact CH2-CG2 4.47Å; W51-V55 HydrophobicContact CZ2-CG2 3.71Å; W51-V55 WeakPolarHBondContact O-CG2 3.23Å; W51-V55 PolarHBondContact O-N 3.27Å; P52-V55 PolarHBondContact O-N 3.12Å; S53-V55 VanDerWaalsContact C-N 3.34Å; V55-N57 VanDerWaalsContact C-N 3.35Å; V55-N57 PolarHBondContact O-N 3.38Å; V55-W58 HydrophobicContact CG1-CE3 4.27Å; V55-W58 WeakPolarHBondContact O-CB 3.45Å; V55-W58 PolarHBondContact O-N 2.97Å; V55-W58 VanDerWaalsContact O-N 3.12Å; V55-I59 HydrophobicContact CG1-CD1 3.98Å; V55-I59 HydrophobicContact CG1-CG1 4.37Å; V55-I59 WeakPolarHBondContact O-CG1 3.38Å; V55-I59 PolarHBondContact O-N 3.19Å; V55-V133 HydrophobicContact CG1-CG1 4.27Å; V55-V133 HydrophobicContact CG2-CG1 4.4Å; V55-V133 HydrophobicContact CG2-CG2 4.4Å |
| 56 | D | 92.5 | Very high | 91 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 32% | 0.316 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.4 | -46.9 | 177.5 | -67 | -20.1 | 0 | 0 | 0 | 111.3 | R40 P52 S53 W58 I59 D60 | R40-D56 IonicContact CZ-OD2 3.43Å; R40-D56 IonicContact NH2-OD2 2.71Å; R40-D56 PolarHBondContact NH2-OD2 3.07Å; P52-D56 VanDerWaalsContact O-CG 3.24Å; P52-D56 PolarHBondContact O-N 2.67Å; S53-D56 PolarHBondContact O-N 3.37Å; D56-W58 VanDerWaalsContact C-N 3.31Å; D56-W58 PolarHBondContact O-N 2.74Å; D56-I59 PolarHBondContact O-N 3.24Å; D56-D60 PolarHBondContact O-N 2.67Å; D56-D60 VanDerWaalsContact O-N 3.1Å |
| 57 | N | 93.3 | Very high | 92.4 | Very high | 100 Ų | 100 | 56.6 Ų | 56.6 | 54% | 0.535 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64 | -35.6 | 176.8 | -72 | -29.9 | 0 | 0 | 0 | 112.8 | S53 V55 S61 | S53-N57 WeakPolarHBondContact O-CB 3.34Å; S53-N57 PolarHBondContact O-N 2.93Å; S53-N57 PolarHBondContact O-ND2 3.02Å; S53-N57 VanDerWaalsContact O-ND2 3.12Å; V55-N57 VanDerWaalsContact C-N 3.35Å; V55-N57 PolarHBondContact O-N 3.38Å; N57-S61 VanDerWaalsContact O-CB 3.31Å; N57-S61 WeakPolarHBondContact O-CB 3.26Å; N57-S61 PolarHBondContact O-N 3.1Å; N57-S61 PolarHBondContact O-OG 3.47Å |
| 58 | W | 94.9 | Very high | 92.9 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 5% | 0.045 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.3 | -43.6 | 176.3 | 164.9 | 75.6 | 0 | 0 | 0 | 111.7 | L29 L32 T54 V55 D56 D60 S61 S62 V133 L224 G228 | L29-W58 HydrophobicContact CD2-CH2 3.79Å; L29-W58 HydrophobicContact CD2-CZ2 4.37Å; L29-W58 HydrophobicContact CD2-CZ3 3.94Å; L32-W58 HydrophobicContact CD1-CH2 4.26Å; L32-W58 HydrophobicContact CD1-CZ3 3.67Å; T54-W58 WeakPolarHBondContact O-CB 3.45Å; T54-W58 PolarHBondContact O-N 3.42Å; V55-W58 HydrophobicContact CG1-CE3 4.27Å; V55-W58 WeakPolarHBondContact O-CB 3.45Å; V55-W58 PolarHBondContact O-N 2.97Å; V55-W58 VanDerWaalsContact O-N 3.12Å; D56-W58 VanDerWaalsContact C-N 3.31Å; D56-W58 PolarHBondContact O-N 2.74Å; W58-D60 PolarHBondContact O-N 3.12Å; W58-S61 PolarHBondContact O-N 2.87Å; W58-S62 WeakPolarHBondContact O-CB 3.35Å; W58-S62 PolarHBondContact O-N 3.34Å; W58-V133 HydrophobicContact CD2-CG2 4.44Å; W58-V133 HydrophobicContact CE3-CB 4.29Å; W58-V133 HydrophobicContact CE3-CG2 4.17Å; W58-V133 HydrophobicContact CH2-CB 3.88Å; W58-V133 HydrophobicContact CH2-CG2 4.42Å; W58-V133 HydrophobicContact CZ2-CB 4.44Å; W58-V133 HydrophobicContact CZ3-CB 3.8Å; W58-V133 HydrophobicContact CZ3-CG1 4.22Å; W58-V133 HydrophobicContact CZ3-CG2 4.19Å; W58-L224 HydrophobicContact CB-CD1 3.42Å; W58-L224 VanDerWaalsContact CB-CD1 3.42Å; W58-L224 HydrophobicContact CD2-CD1 4.12Å; W58-L224 HydrophobicContact CG-CD1 3.5Å; W58-G228 VanDerWaalsContact CD1-CA 3.41Å; W58-G228 PolarHBondContact NE1-O 3.29Å |
| 59 | I | 95.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.6 | -51.9 | 175.4 | -67 | 165.6 | 0 | 0 | 0 | 110.3 | L29 L32 E33 V55 D56 S61 S62 W63 | L29-I59 HydrophobicContact CD2-CG1 4.39Å; L29-I59 HydrophobicContact CD2-CG2 4.49Å; L32-I59 HydrophobicContact CB-CD1 3.59Å; L32-I59 HydrophobicContact CB-CG1 4.39Å; E33-I59 HydrophobicContact CG-CD1 4.38Å; E33-I59 HydrophobicContact CG-CG2 3.49Å; E33-I59 VanDerWaalsContact CG-CG2 3.49Å; E33-I59 VanDerWaalsContact OE1-CG2 3.29Å; E33-I59 WeakPolarHBondContact OE1-CG2 3.32Å; V55-I59 HydrophobicContact CG1-CD1 3.98Å; V55-I59 HydrophobicContact CG1-CG1 4.37Å; V55-I59 WeakPolarHBondContact O-CG1 3.38Å; V55-I59 PolarHBondContact O-N 3.19Å; D56-I59 PolarHBondContact O-N 3.24Å; I59-S61 PolarHBondContact O-N 3.05Å; I59-S62 PolarHBondContact O-N 2.85Å; I59-S62 VanDerWaalsContact O-N 3.13Å; I59-W63 PolarHBondContact O-N 3.4Å |
| 60 | D | 95.4 | Very high | 93.8 | Very high | 82 Ų | 82 | 50.4 Ų | 50.4 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55 | -42.5 | 177.1 | -88 | 3.2 | 0 | 0 | 0 | 111.9 | D56 W58 K64 | D56-D60 PolarHBondContact O-N 2.67Å; D56-D60 VanDerWaalsContact O-N 3.1Å; W58-D60 PolarHBondContact O-N 3.12Å; D60-K64 WeakPolarHBondContact O-CD 3.31Å; D60-K64 VanDerWaalsContact O-CG 3.28Å; D60-K64 WeakPolarHBondContact O-CG 3.42Å; D60-K64 PolarHBondContact O-N 2.66Å; D60-K64 VanDerWaalsContact O-N 3.11Å |
| 61 | S | 95.8 | Very high | 94 | Very high | 50 Ų | 50 | 54.2 Ų | 54.2 | 35% | 0.35 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.8 | -39.8 | 179.5 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | N57 W58 I59 W63 K64 R65 | N57-S61 VanDerWaalsContact O-CB 3.31Å; N57-S61 WeakPolarHBondContact O-CB 3.26Å; N57-S61 PolarHBondContact O-N 3.1Å; N57-S61 PolarHBondContact O-OG 3.47Å; W58-S61 PolarHBondContact O-N 2.87Å; I59-S61 PolarHBondContact O-N 3.05Å; S61-W63 VanDerWaalsContact C-N 3.34Å; S61-W63 PolarHBondContact O-N 3.09Å; S61-K64 PolarHBondContact O-N 3.5Å; S61-R65 WeakPolarHBondContact O-CB 3.46Å; S61-R65 WeakPolarHBondContact O-CG 3.25Å; S61-R65 PolarHBondContact O-N 2.76Å |
| 62 | S | 96 | Very high | 94 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -35.9 | 176.5 | -85.9 | 0 | 0 | 0 | 0 | 112.4 | W58 I59 R65 W66 D69 | W58-S62 WeakPolarHBondContact O-CB 3.35Å; W58-S62 PolarHBondContact O-N 3.34Å; I59-S62 PolarHBondContact O-N 2.85Å; I59-S62 VanDerWaalsContact O-N 3.13Å; S62-R65 CarbonylContact O-C 3.6Å; S62-W66 VanDerWaalsContact O-CA 3.25Å; S62-W66 WeakPolarHBondContact O-CA 3.43Å; S62-W66 PolarHBondContact O-N 2.85Å; S62-W66 VanDerWaalsContact O-N 3.07Å; S62-D69 VanDerWaalsContact CA-OD2 3.29Å; S62-D69 WeakPolarHBondContact CA-OD2 3.29Å; S62-D69 WeakPolarHBondContact CB-OD2 3.34Å; S62-D69 PolarHBondContact OG-OD2 3.07Å |
| 63 | W | 96.9 | Very high | 94.2 | Very high | 73 Ų | 73 | 55.2 Ų | 55.2 | 28% | 0.277 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.1 | -44.1 | 171.4 | -74.9 | 128.1 | 0 | 0 | 0 | 112.6 | R26 L29 E33 I59 S61 R65 W66 | R26-W63 HydrophobicContact CB-CH2 3.98Å; R26-W63 HydrophobicContact CG-CH2 3.92Å; R26-W63 HydrophobicContact CG-CZ3 4.07Å; L29-W63 HydrophobicContact CB-CH2 4.29Å; L29-W63 HydrophobicContact CB-CZ2 3.55Å; L29-W63 HydrophobicContact CD1-CD2 3.85Å; L29-W63 HydrophobicContact CD1-CE3 4.11Å; L29-W63 HydrophobicContact CD1-CG 4.39Å; L29-W63 HydrophobicContact CD1-CH2 4.23Å; L29-W63 HydrophobicContact CD1-CZ2 3.99Å; L29-W63 HydrophobicContact CD1-CZ3 4.27Å; L29-W63 HydrophobicContact CG-CZ2 4.43Å; E33-W63 PolarHBondContact OE1-NE1 3.17Å; I59-W63 PolarHBondContact O-N 3.4Å; S61-W63 VanDerWaalsContact C-N 3.34Å; S61-W63 PolarHBondContact O-N 3.09Å; W63-R65 VanDerWaalsContact C-N 3.27Å; W63-R65 PolarHBondContact O-N 3.36Å; W63-W66 AromaticContact CE3-CE3 3.85Å; W63-W66 HydrophobicContact CE3-CE3 3.85Å; W63-W66 HydrophobicContact CE3-CZ3 4.17Å; W63-W66 HydrophobicContact CH2-CZ3 4.42Å; W63-W66 HydrophobicContact CZ3-CD2 4.47Å; W63-W66 AromaticContact CZ3-CE3 3.82Å; W63-W66 HydrophobicContact CZ3-CE3 3.82Å; W63-W66 HydrophobicContact CZ3-CH2 4.31Å; W63-W66 AromaticContact CZ3-CZ3 3.74Å; W63-W66 HydrophobicContact CZ3-CZ3 3.74Å; W63-W66 PolarHBondContact O-N 2.95Å |
| 64 | K | 96.9 | Very high | 94.3 | Very high | 166 Ų | 166 | 57.5 Ų | 57.5 | 72% | 0.722 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.3 | -32.6 | 178.3 | -73 | 166.6 | -173.3 | 159.7 | 0 | 112.6 | D60 S61 | D60-K64 WeakPolarHBondContact O-CD 3.31Å; D60-K64 VanDerWaalsContact O-CG 3.28Å; D60-K64 WeakPolarHBondContact O-CG 3.42Å; D60-K64 PolarHBondContact O-N 2.66Å; D60-K64 VanDerWaalsContact O-N 3.11Å; S61-K64 PolarHBondContact O-N 3.5Å |
| 65 | R | 95.4 | Very high | 94.1 | Very high | 110 Ų | 110 | 63.1 Ų | 63.1 | 42% | 0.415 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 27.3 | -176.3 | -57.7 | -179.2 | 69.6 | 173.7 | 2.7 | 112.5 | S61 S62 W63 D67 D68 D69 E226 | S61-R65 WeakPolarHBondContact O-CB 3.46Å; S61-R65 WeakPolarHBondContact O-CG 3.25Å; S61-R65 PolarHBondContact O-N 2.76Å; S62-R65 CarbonylContact O-C 3.6Å; W63-R65 VanDerWaalsContact C-N 3.27Å; W63-R65 PolarHBondContact O-N 3.36Å; R65-D67 VanDerWaalsContact C-N 3.33Å; R65-D67 PolarHBondContact O-N 3.46Å; R65-D68 PolarHBondContact O-N 3.14Å; R65-D69 PolarHBondContact O-N 2.95Å; R65-E226 PolarHBondContact NH1-O 2.97Å |
| 66 | W | 95.7 | Very high | 94 | Very high | 27 Ų | 27 | 64 Ų | 64 | 10% | 0.102 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -47.6 | -51 | -172.1 | 179 | -101.9 | 0 | 0 | 0 | 113.9 | E22 R25 R26 L29 S62 W63 D68 D69 M70 | E22-W66 HydrophobicContact CG-CH2 4.4Å; E22-W66 HydrophobicContact CG-CZ2 3.48Å; E22-W66 VanDerWaalsContact CG-CZ2 3.48Å; R25-W66 HydrophobicContact CB-CH2 3.91Å; R25-W66 HydrophobicContact CB-CZ3 4.42Å; R25-W66 HydrophobicContact CG-CH2 3.74Å; R25-W66 HydrophobicContact CG-CZ3 3.76Å; R26-W66 HydrophobicContact CB-CH2 4.32Å; R26-W66 HydrophobicContact CG-CH2 3.31Å; R26-W66 HydrophobicContact CG-CZ2 3.62Å; R26-W66 HydrophobicContact CG-CZ3 4.14Å; L29-W66 HydrophobicContact CD1-CE3 4.31Å; L29-W66 HydrophobicContact CD1-CZ3 3.84Å; S62-W66 VanDerWaalsContact O-CA 3.25Å; S62-W66 WeakPolarHBondContact O-CA 3.43Å; S62-W66 PolarHBondContact O-N 2.85Å; S62-W66 VanDerWaalsContact O-N 3.07Å; W63-W66 AromaticContact CE3-CE3 3.85Å; W63-W66 HydrophobicContact CE3-CE3 3.85Å; W63-W66 HydrophobicContact CE3-CZ3 4.17Å; W63-W66 HydrophobicContact CH2-CZ3 4.42Å; W63-W66 HydrophobicContact CZ3-CD2 4.47Å; W63-W66 AromaticContact CZ3-CE3 3.82Å; W63-W66 HydrophobicContact CZ3-CE3 3.82Å; W63-W66 HydrophobicContact CZ3-CH2 4.31Å; W63-W66 AromaticContact CZ3-CZ3 3.74Å; W63-W66 HydrophobicContact CZ3-CZ3 3.74Å; W63-W66 PolarHBondContact O-N 2.95Å; W66-D68 VanDerWaalsContact C-N 3.33Å; W66-D68 PolarHBondContact O-N 2.83Å; W66-D69 PolarHBondContact O-N 2.89Å; W66-M70 HydrophobicContact CD2-CG 4.04Å; W66-M70 HydrophobicContact CH2-CG 4.34Å; W66-M70 HydrophobicContact CH2-SD 4.1Å; W66-M70 HydrophobicContact CZ2-CG 3.88Å; W66-M70 HydrophobicContact CZ2-SD 4.07Å; W66-M70 WeakPolarHBondContact O-CB 3.31Å; W66-M70 WeakPolarHBondContact O-CG 3.11Å; W66-M70 PolarHBondContact O-N 3.34Å |
| 67 | D | 95.7 | Very high | 94.1 | Very high | 109 Ų | 109 | 61.8 Ų | 61.8 | 58% | 0.583 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.7 | -37.3 | -177 | -69.2 | -19.8 | 0 | 0 | 0 | 112.2 | R65 R71 | R65-D67 VanDerWaalsContact C-N 3.33Å; R65-D67 PolarHBondContact O-N 3.46Å; D67-R71 WeakPolarHBondContact O-CB 3.38Å; D67-R71 PolarHBondContact O-N 3.05Å |
| 68 | D | 93.8 | Very high | 94.1 | Very high | 78 Ų | 78 | 57 Ų | 57 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.1 | -43.9 | 178.1 | -69.8 | -16.3 | 0 | 0 | 0 | 111.2 | R65 W66 R71 R72 | R65-D68 PolarHBondContact O-N 3.14Å; W66-D68 VanDerWaalsContact C-N 3.33Å; W66-D68 PolarHBondContact O-N 2.83Å; D68-R71 PolarHBondContact O-N 2.77Å; D68-R71 IonicContact OD1-CZ 3.66Å; D68-R71 IonicContact OD1-NH1 3.87Å; D68-R71 PolarHBondContact OD1-NH1 3.03Å; D68-R72 WeakPolarHBondContact O-CB 3.43Å; D68-R72 PolarHBondContact O-N 2.83Å |
| 69 | D | 93 | Very high | 94 | Very high | 9 Ų | 9 | 57.6 Ų | 57.6 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 177 | -86.4 | 1.9 | 0 | 0 | 0 | 111.2 | S62 R65 W66 R71 R72 L73 | S62-D69 VanDerWaalsContact CA-OD2 3.29Å; S62-D69 WeakPolarHBondContact CA-OD2 3.29Å; S62-D69 WeakPolarHBondContact CB-OD2 3.34Å; S62-D69 PolarHBondContact OG-OD2 3.07Å; R65-D69 PolarHBondContact O-N 2.95Å; W66-D69 PolarHBondContact O-N 2.89Å; D69-R71 VanDerWaalsContact C-N 3.33Å; D69-R71 PolarHBondContact O-N 2.86Å; D69-R72 PolarHBondContact O-N 3.04Å; D69-R72 IonicContact OD1-CZ 2.73Å; D69-R72 IonicContact OD1-NH2 3.76Å; D69-R72 PolarHBondContact OD1-NH2 2.93Å; D69-R72 VanDerWaalsContact OD1-NH2 3.12Å; D69-L73 WeakPolarHBondContact O-CG 3.38Å; D69-L73 PolarHBondContact O-N 2.77Å |
| 70 | M | 94.8 | Very high | 93.8 | Very high | 13 Ų | 13 | 58.3 Ų | 58.3 | 6% | 0.064 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 178.4 | -72.5 | -56.6 | -60.4 | 0 | 0 | 111.7 | F21 E22 R25 W66 R74 | F21-M70 HydrophobicContact CD1-CE 3.56Å; F21-M70 HydrophobicContact CE1-CE 3.52Å; F21-M70 HydrophobicContact CE1-SD 4.4Å; F21-M70 HydrophobicContact CZ-CE 4.44Å; E22-M70 HydrophobicContact CB-CE 4.18Å; E22-M70 HydrophobicContact CG-CE 4.3Å; R25-M70 HydrophobicContact CB-SD 4.03Å; R25-M70 HydrophobicContact CG-SD 3.87Å; W66-M70 HydrophobicContact CD2-CG 4.04Å; W66-M70 HydrophobicContact CH2-CG 4.34Å; W66-M70 HydrophobicContact CH2-SD 4.1Å; W66-M70 HydrophobicContact CZ2-CG 3.88Å; W66-M70 HydrophobicContact CZ2-SD 4.07Å; W66-M70 WeakPolarHBondContact O-CB 3.31Å; W66-M70 WeakPolarHBondContact O-CG 3.11Å; W66-M70 PolarHBondContact O-N 3.34Å; M70-R74 WeakPolarHBondContact O-CB 3.47Å; M70-R74 WeakPolarHBondContact O-CG 3.13Å; M70-R74 PolarHBondContact O-N 3.32Å |
| 71 | R | 92.7 | Very high | 93.5 | Very high | 134 Ų | 134 | 54.6 Ų | 54.6 | 51% | 0.506 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 175.6 | -170.2 | -175.9 | -53.9 | 106.4 | 3.5 | 111.5 | D67 D68 D69 R75 | D67-R71 WeakPolarHBondContact O-CB 3.38Å; D67-R71 PolarHBondContact O-N 3.05Å; D68-R71 PolarHBondContact O-N 2.77Å; D68-R71 IonicContact OD1-CZ 3.66Å; D68-R71 IonicContact OD1-NH1 3.87Å; D68-R71 PolarHBondContact OD1-NH1 3.03Å; D69-R71 VanDerWaalsContact C-N 3.33Å; D69-R71 PolarHBondContact O-N 2.86Å; R71-R75 WeakPolarHBondContact O-CB 3.33Å; R71-R75 WeakPolarHBondContact O-CG 3.36Å; R71-R75 PolarHBondContact O-N 2.91Å |
| 72 | R | 90.6 | Very high | 93.1 | Very high | 51 Ų | 51 | 54.1 Ų | 54.1 | 19% | 0.192 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.1 | -53.2 | 175.1 | 177.9 | -178.7 | 61.9 | -172.7 | -8.9 | 110.7 | D68 D69 R74 R75 G76 D129 S227 | D68-R72 WeakPolarHBondContact O-CB 3.43Å; D68-R72 PolarHBondContact O-N 2.83Å; D69-R72 PolarHBondContact O-N 3.04Å; D69-R72 IonicContact OD1-CZ 2.73Å; D69-R72 IonicContact OD1-NH2 3.76Å; D69-R72 PolarHBondContact OD1-NH2 2.93Å; D69-R72 VanDerWaalsContact OD1-NH2 3.12Å; R72-R74 VanDerWaalsContact C-N 3.33Å; R72-R74 PolarHBondContact O-N 2.89Å; R72-R75 PolarHBondContact O-N 2.8Å; R72-R75 VanDerWaalsContact O-N 3.16Å; R72-G76 PolarHBondContact O-N 3.43Å; R72-D129 WeakPolarHBondContact CD-OD1 3.44Å; R72-D129 IonicContact NE-OD1 3.37Å; R72-S227 PolarHBondContact NH1-O 2.71Å; R72-S227 PolarHBondContact NH1-OG 3.02Å; R72-S227 PolarHBondContact NH2-O 3.2Å |
| 73 | L | 93.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.8 | -40.1 | -178.5 | -68.4 | 173.8 | 0 | 0 | 0 | 112.2 | F21 D69 G76 M77 | F21-L73 HydrophobicContact CE1-CB 4.12Å; F21-L73 HydrophobicContact CZ-CB 4Å; F21-L73 HydrophobicContact CZ-CD1 4.09Å; D69-L73 WeakPolarHBondContact O-CG 3.38Å; D69-L73 PolarHBondContact O-N 2.77Å; L73-G76 PolarHBondContact O-N 2.94Å; L73-M77 WeakPolarHBondContact O-CG 3.4Å; L73-M77 PolarHBondContact O-N 2.84Å |
| 74 | R | 92.7 | Very high | 91.1 | Very high | 101 Ų | 101 | 57 Ų | 57 | 38% | 0.381 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 174.9 | -73 | -176.7 | -173.8 | -78.6 | 2.8 | 112.6 | F21 M70 R72 G76 M77 D205 | F21-R74 HydrophobicContact CE1-CG 4.4Å; M70-R74 WeakPolarHBondContact O-CB 3.47Å; M70-R74 WeakPolarHBondContact O-CG 3.13Å; M70-R74 PolarHBondContact O-N 3.32Å; R72-R74 VanDerWaalsContact C-N 3.33Å; R72-R74 PolarHBondContact O-N 2.89Å; R74-G76 PolarHBondContact O-N 2.88Å; R74-M77 HydrophobicContact CB-CE 4.43Å; R74-M77 HydrophobicContact CG-CE 3.88Å; R74-M77 HydrophobicContact CG-SD 4.45Å; R74-M77 WeakPolarHBondContact O-CB 3.25Å; R74-M77 PolarHBondContact O-N 3.03Å; R74-D205 IonicContact NH2-OD2 2.74Å |
| 75 | R | 88.7 | Confident | 89.1 | Confident | 133 Ų | 133 | 52.2 Ų | 52.2 | 50% | 0.502 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.1 | -27.2 | 176.4 | -76.1 | -176.2 | 69.4 | -118.2 | -2.3 | 113.2 | R71 R72 M77 S119 | R71-R75 WeakPolarHBondContact O-CB 3.33Å; R71-R75 WeakPolarHBondContact O-CG 3.36Å; R71-R75 PolarHBondContact O-N 2.91Å; R72-R75 PolarHBondContact O-N 2.8Å; R72-R75 VanDerWaalsContact O-N 3.16Å; R75-M77 VanDerWaalsContact C-N 3.34Å; R75-S119 PolarHBondContact O-OG 2.97Å |
| 76 | G | 90.9 | Very high | 87.3 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -7.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R72 L73 R74 F78 | R72-G76 PolarHBondContact O-N 3.43Å; L73-G76 PolarHBondContact O-N 2.94Å; R74-G76 PolarHBondContact O-N 2.88Å; G76-F78 PolarHBondContact O-N 2.89Å |
| 77 | M | 94.6 | Very high | 85.1 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 5% | 0.054 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 133.8 | 178.9 | -64.8 | 178.1 | -177.6 | 0 | 0 | 110.9 | F21 L73 R74 R75 G121 R144 D146 V207 | F21-M77 HydrophobicContact CD1-CE 3.43Å; F21-M77 VanDerWaalsContact CD1-CE 3.43Å; F21-M77 HydrophobicContact CE1-CE 3.34Å; F21-M77 HydrophobicContact CE2-CE 4.46Å; F21-M77 HydrophobicContact CG-CE 4.05Å; F21-M77 HydrophobicContact CZ-CE 3.91Å; L73-M77 WeakPolarHBondContact O-CG 3.4Å; L73-M77 PolarHBondContact O-N 2.84Å; R74-M77 HydrophobicContact CB-CE 4.43Å; R74-M77 HydrophobicContact CG-CE 3.88Å; R74-M77 HydrophobicContact CG-SD 4.45Å; R74-M77 WeakPolarHBondContact O-CB 3.25Å; R74-M77 PolarHBondContact O-N 3.03Å; R75-M77 VanDerWaalsContact C-N 3.34Å; M77-G121 PolarHBondContact O-N 3.49Å; M77-R144 WeakPolarHBondContact CA-O 3.31Å; M77-R144 HydrophobicContact CG-CB 3.85Å; M77-D146 HydrophobicContact CB-CB 4.49Å; M77-V207 HydrophobicContact CE-CB 4.38Å; M77-V207 HydrophobicContact CE-CG1 3.71Å; M77-V207 HydrophobicContact CE-CG2 3.72Å; M77-V207 HydrophobicContact SD-CG1 4.09Å; M77-V207 HydrophobicContact SD-CG2 3.93Å |
| 78 | F | 94.1 | Very high | 83 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 130.6 | 172.4 | -69.3 | -64.7 | 0 | 0 | 0 | 111 | G76 G121 V123 F126 V143 R144 F145 D146 R185 V187 | G76-F78 PolarHBondContact O-N 2.89Å; F78-G121 WeakPolarHBondContact CD1-O 3.47Å; F78-G121 VanDerWaalsContact CE1-O 3.28Å; F78-G121 WeakPolarHBondContact CE1-O 3.21Å; F78-V123 HydrophobicContact CE1-CG1 4.21Å; F78-F126 HydrophobicContact CE1-CB 4.24Å; F78-F126 HydrophobicContact CE2-CB 4.02Å; F78-F126 HydrophobicContact CE2-CD2 4.26Å; F78-F126 HydrophobicContact CE2-CG 4.09Å; F78-F126 HydrophobicContact CZ-CB 3.44Å; F78-F126 VanDerWaalsContact CZ-CB 3.44Å; F78-F126 AromaticContact CZ-CD1 3.82Å; F78-F126 HydrophobicContact CZ-CD1 3.82Å; F78-F126 HydrophobicContact CZ-CD2 4.11Å; F78-F126 AromaticContact CZ-CG 3.52Å; F78-F126 HydrophobicContact CZ-CG 3.52Å; F78-V143 HydrophobicContact CE2-CB 4.32Å; F78-V143 HydrophobicContact CE2-CG1 4.44Å; F78-R144 PolarHBondContact N-O 2.86Å; F78-F145 HydrophobicContact CB-CD1 3.5Å; F78-F145 HydrophobicContact CB-CE1 3.88Å; F78-F145 HydrophobicContact CB-CG 4.15Å; F78-F145 HydrophobicContact CD2-CD1 4.22Å; F78-F145 AromaticContact CD2-CE1 3.88Å; F78-F145 HydrophobicContact CD2-CE1 3.88Å; F78-F145 HydrophobicContact CD2-CZ 4.06Å; F78-F145 HydrophobicContact CG-CD1 4.24Å; F78-F145 HydrophobicContact CG-CE1 4.14Å; F78-F145 CarbonylContact O-C 3.53Å; F78-F145 WeakPolarHBondContact O-CA 2.99Å; F78-D146 PolarHBondContact O-N 2.85Å; F78-R185 HydrophobicContact CB-CG 4.02Å; F78-R185 HydrophobicContact CD1-CG 4.46Å; F78-R185 HydrophobicContact CG-CG 4.32Å; F78-V187 HydrophobicContact CD2-CG2 3.86Å; F78-V187 HydrophobicContact CE1-CG2 4.5Å; F78-V187 HydrophobicContact CE2-CG1 4.32Å; F78-V187 HydrophobicContact CE2-CG2 3.49Å; F78-V187 VanDerWaalsContact CE2-CG2 3.49Å; F78-V187 HydrophobicContact CG-CG2 4.5Å; F78-V187 HydrophobicContact CZ-CG1 4.46Å; F78-V187 HydrophobicContact CZ-CG2 3.83Å |
| 79 | A | 92.1 | Very high | 80.8 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 20% | 0.198 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 149 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T120 R185 | A79-T120 HydrophobicContact CB-CG2 3.51Å; A79-R185 WeakPolarHBondContact O-CD 3.39Å |
| 80 | L | 91.9 | Very high | 78.6 | Confident | 16 Ų | 16 | 60.8 Ų | 60.8 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 125.8 | 167 | -54.9 | -176.5 | 0 | 0 | 0 | 109.5 | F145 F150 V166 A168 F183 R185 | L80-F145 HydrophobicContact CD2-CB 4.49Å; L80-F145 HydrophobicContact CD2-CD1 4.09Å; L80-F150 HydrophobicContact CD1-CD2 4.3Å; L80-F150 HydrophobicContact CD1-CE2 4.04Å; L80-F150 HydrophobicContact CD1-CZ 4.43Å; L80-V166 HydrophobicContact CD1-CG1 4.36Å; L80-V166 HydrophobicContact CD2-CB 4.02Å; L80-V166 HydrophobicContact CD2-CG1 3.64Å; L80-A168 HydrophobicContact CD1-CB 3.68Å; L80-F183 HydrophobicContact CB-CB 3.7Å; L80-R185 HydrophobicContact CD2-CB 3.84Å |
| 81 | L | 88.9 | Confident | 76.7 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 139.2 | -175.9 | -60.2 | 179.6 | 0 | 0 | 0 | 110.8 | L83 F86 M98 M101 I105 F183 C184 | L81-L83 PolarHBondContact O-N 2.84Å; L81-F86 HydrophobicContact CB-CE2 4.32Å; L81-M98 HydrophobicContact CD1-CB 4.37Å; L81-M98 HydrophobicContact CD1-CG 4.11Å; L81-M101 HydrophobicContact CB-CE 3.86Å; L81-M101 HydrophobicContact CB-SD 4.35Å; L81-M101 HydrophobicContact CD1-CB 3.89Å; L81-M101 HydrophobicContact CD1-CE 4.02Å; L81-M101 HydrophobicContact CD1-CG 4.44Å; L81-M101 HydrophobicContact CD1-SD 3.78Å; L81-M101 HydrophobicContact CD2-CE 4.17Å; L81-M101 HydrophobicContact CG-CE 4.24Å; L81-I105 HydrophobicContact CD2-CD1 3.92Å; L81-F183 CarbonylContact O-C 3.58Å; L81-F183 WeakPolarHBondContact O-CA 3.43Å; L81-C184 PolarHBondContact N-O 3.49Å; L81-C184 PolarHBondContact O-N 2.93Å |
| 82 | P | 86.9 | Confident | 75.4 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 26% | 0.26 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 130.6 | -176.5 | 30.9 | -37.1 | 0 | 0 | 0 | 111.7 | D84 T85 F86 F183 | P82-D84 WeakPolarHBondContact CB-OD1 3.3Å; P82-T85 WeakPolarHBondContact O-CB 3.41Å; P82-T85 PolarHBondContact O-N 2.76Å; P82-T85 PolarHBondContact O-OG1 3.25Å; P82-F86 WeakPolarHBondContact O-CD2 3.39Å; P82-F86 WeakPolarHBondContact O-CE2 3.35Å; P82-F183 HydrophobicContact CB-CD1 3.95Å; P82-F183 HydrophobicContact CB-CE1 3.84Å |
| 83 | L | 79.4 | Confident | 74.8 | Confident | 39 Ų | 39 | 64.8 Ų | 64.8 | 20% | 0.204 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -75.2 | -22.9 | -174.7 | -84.5 | -175.8 | 0 | 0 | 0 | 114.1 | L81 T85 F86 E182 C184 | L81-L83 PolarHBondContact O-N 2.84Å; L83-T85 PolarHBondContact O-N 2.93Å; L83-T85 VanDerWaalsContact O-N 3.13Å; L83-F86 HydrophobicContact CB-CD2 4.48Å; L83-F86 HydrophobicContact CD2-CB 4.33Å; L83-F86 HydrophobicContact CD2-CD1 4.39Å; L83-F86 HydrophobicContact CD2-CD2 3.6Å; L83-F86 HydrophobicContact CD2-CE2 3.89Å; L83-F86 HydrophobicContact CD2-CG 3.86Å; L83-F86 HydrophobicContact CD2-CZ 4.45Å; L83-F86 WeakPolarHBondContact O-CA 3.45Å; L83-F86 WeakPolarHBondContact O-CB 3.46Å; L83-F86 PolarHBondContact O-N 3.41Å; L83-E182 HydrophobicContact CB-CB 4.06Å; L83-E182 HydrophobicContact CD1-CB 3.85Å; L83-E182 HydrophobicContact CG-CB 4.37Å; L83-E182 PolarHBondContact N-O 3.19Å; L83-C184 HydrophobicContact CD1-CB 3.99Å; L83-C184 HydrophobicContact CD2-CB 3.42Å; L83-C184 VanDerWaalsContact CD2-CB 3.42Å; L83-C184 HydrophobicContact CG-CB 3.64Å |
| 84 | D | 70.2 | Confident | 74.1 | Confident | 97 Ų | 97 | 65.3 Ų | 65.3 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -57.5 | -26.4 | 173.4 | 55 | 5.6 | 0 | 0 | 0 | 112.1 | P82 F86 S87 | P82-D84 WeakPolarHBondContact CB-OD1 3.3Å; D84-F86 VanDerWaalsContact C-N 3.28Å; D84-F86 PolarHBondContact O-N 2.94Å; D84-S87 WeakPolarHBondContact O-CB 3.13Å; D84-S87 PolarHBondContact O-N 2.76Å; D84-S87 PolarHBondContact O-OG 3.46Å |
| 85 | T | 56.8 | Low | 73.6 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 40% | 0.399 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -67.8 | -25.7 | 172.9 | -52.4 | 0 | 0 | 0 | 0 | 112.7 | P82 L83 S87 M101 | P82-T85 WeakPolarHBondContact O-CB 3.41Å; P82-T85 PolarHBondContact O-N 2.76Å; P82-T85 PolarHBondContact O-OG1 3.25Å; L83-T85 PolarHBondContact O-N 2.93Å; L83-T85 VanDerWaalsContact O-N 3.13Å; T85-S87 VanDerWaalsContact C-N 3.31Å; T85-S87 PolarHBondContact O-N 2.79Å; T85-M101 HydrophobicContact CG2-CE 3.94Å; T85-M101 HydrophobicContact CG2-SD 4.16Å |
| 86 | F | 56.1 | Low | 73.3 | Confident | 17 Ų | 17 | 57.6 Ų | 57.6 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -84.1 | -4.5 | -179.1 | -63.7 | -108.7 | 0 | 0 | 0 | 113 | L81 P82 L83 D84 H88 L91 L97 M98 M101 | L81-F86 HydrophobicContact CB-CE2 4.32Å; P82-F86 WeakPolarHBondContact O-CD2 3.39Å; P82-F86 WeakPolarHBondContact O-CE2 3.35Å; L83-F86 HydrophobicContact CB-CD2 4.48Å; L83-F86 HydrophobicContact CD2-CB 4.33Å; L83-F86 HydrophobicContact CD2-CD1 4.39Å; L83-F86 HydrophobicContact CD2-CD2 3.6Å; L83-F86 HydrophobicContact CD2-CE2 3.89Å; L83-F86 HydrophobicContact CD2-CG 3.86Å; L83-F86 HydrophobicContact CD2-CZ 4.45Å; L83-F86 WeakPolarHBondContact O-CA 3.45Å; L83-F86 WeakPolarHBondContact O-CB 3.46Å; L83-F86 PolarHBondContact O-N 3.41Å; D84-F86 VanDerWaalsContact C-N 3.28Å; D84-F86 PolarHBondContact O-N 2.94Å; F86-H88 PolarHBondContact O-N 3.43Å; F86-H88 VanDerWaalsContact O-N 3.15Å; F86-L91 HydrophobicContact CB-CD1 4.27Å; F86-L91 HydrophobicContact CD1-CD1 3.99Å; F86-L91 HydrophobicContact CD1-CD2 4.11Å; F86-L91 HydrophobicContact CD1-CG 4.32Å; F86-L97 HydrophobicContact CB-CD2 4.28Å; F86-L97 HydrophobicContact CD1-CD2 3.13Å; F86-L97 HydrophobicContact CD1-CG 4.1Å; F86-L97 HydrophobicContact CD2-CD2 4.48Å; F86-L97 HydrophobicContact CE1-CB 4.46Å; F86-L97 HydrophobicContact CE1-CD2 3.43Å; F86-L97 VanDerWaalsContact CE1-CD2 3.43Å; F86-L97 HydrophobicContact CE1-CG 3.89Å; F86-L97 HydrophobicContact CG-CD2 3.74Å; F86-L97 HydrophobicContact CZ-CD2 4.28Å; F86-L97 HydrophobicContact CZ-CG 4.48Å; F86-M98 HydrophobicContact CE1-CE 4.27Å; F86-M98 HydrophobicContact CZ-CE 4.17Å; F86-M98 HydrophobicContact CZ-CG 4.37Å; F86-M101 HydrophobicContact CE2-SD 4.1Å; F86-M101 HydrophobicContact CZ-SD 4.12Å |
| 87 | S | 51 | Low | 72.8 | Confident | 99 Ų | 99 | 58.3 Ų | 58.3 | 69% | 0.692 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -76.3 | 3.9 | -173.8 | -61.5 | 0 | 0 | 0 | 0 | 114.5 | D84 T85 | D84-S87 WeakPolarHBondContact O-CB 3.13Å; D84-S87 PolarHBondContact O-N 2.76Å; D84-S87 PolarHBondContact O-OG 3.46Å; T85-S87 VanDerWaalsContact C-N 3.31Å; T85-S87 PolarHBondContact O-N 2.79Å |
| 88 | H | 50.9 | Low | 72.4 | Confident | 178 Ų | 178 | 57.8 Ų | 57.8 | 82% | 0.824 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -101 | 91.3 | 174.1 | -73.6 | 80.4 | 0 | 0 | 0 | 111.2 | F86 | F86-H88 PolarHBondContact O-N 3.43Å; F86-H88 VanDerWaalsContact O-N 3.15Å |
| 89 | G | 47.7 | Very low | 71.8 | Confident | 60 Ų | 60 | 60.5 Ų | 60.5 | 62% | 0.619 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 86.3 | 143.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L91 | G89-L91 PolarHBondContact O-N 2.98Š|
| 90 | I | 46.8 | Very low | 71.4 | Confident | 159 Ų | 159 | 63.7 Ų | 63.7 | 82% | 0.815 | 36% | 0.355 | S | S | * | . | trans | -43.6 | 125.8 | -178.5 | -62.5 | 164.8 | 0 | 0 | 0 | 109.8 | E92 | I90-E92 HydrophobicContact CG2-CG 4.36Å; I90-E92 PolarHBondContact O-N 2.71Å | ||
| 91 | L | 55.4 | Low | 71.1 | Confident | 85 Ų | 85 | 63.7 Ų | 63.7 | 45% | 0.445 | 35% | 0.354 | S | S | . | . | trans | -67.6 | 68.8 | -177.5 | -115.8 | 157.8 | 0 | 0 | 0 | 110.3 | F86 G89 N93 P94 | F86-L91 HydrophobicContact CB-CD1 4.27Å; F86-L91 HydrophobicContact CD1-CD1 3.99Å; F86-L91 HydrophobicContact CD1-CD2 4.11Å; F86-L91 HydrophobicContact CD1-CG 4.32Å; G89-L91 PolarHBondContact O-N 2.98Å; L91-N93 PolarHBondContact O-N 2.72Å; L91-P94 HydrophobicContact CD2-CB 3.51Å; L91-P94 HydrophobicContact CD2-CG 4.21Å | ||
| 92 | E | 64.2 | Low | 70.9 | Confident | 140 Ų | 140 | 63.9 Ų | 63.9 | 65% | 0.654 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -64.3 | -29.5 | -178.9 | -73.1 | -172.1 | 168.8 | 0 | 0 | 111 | I90 I352 | I90-E92 HydrophobicContact CG2-CG 4.36Å; I90-E92 PolarHBondContact O-N 2.71Å; E92-I352 WeakPolarHBondContact O-CD1 2.98Å |
| 93 | N | 77.7 | Confident | 70.8 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 31% | 0.31 | 37% | 0.368 | S | S | . | . | trans | -150.4 | 97.5 | 172.7 | -169.8 | -21.8 | 0 | 0 | 0 | 112.7 | L91 F95 A96 L97 | L91-N93 PolarHBondContact O-N 2.72Å; N93-F95 VanDerWaalsContact C-N 3.27Å; N93-F95 PolarHBondContact O-N 2.94Å; N93-F95 PolarHBondContact OD1-N 3.46Å; N93-F95 VanDerWaalsContact OD1-N 3.15Å; N93-A96 HydrophobicContact CB-CB 3.89Å; N93-A96 PolarHBondContact O-N 2.81Å; N93-A96 PolarHBondContact OD1-N 3.19Å; N93-L97 PolarHBondContact O-N 2.9Å | ||
| 94 | P | 79.7 | Confident | 71 | Confident | 17 Ų | 17 | 71.5 Ų | 71.5 | 11% | 0.11 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.5 | -36.3 | 178.7 | 16.2 | -27.8 | 0 | 0 | 0 | 114 | L91 L97 M98 M186 | L91-P94 HydrophobicContact CD2-CB 3.51Å; L91-P94 HydrophobicContact CD2-CG 4.21Å; P94-L97 PolarHBondContact O-N 3.45Å; P94-M98 WeakPolarHBondContact O-CG 3.39Å; P94-M98 PolarHBondContact O-N 3.05Å; P94-M186 HydrophobicContact CB-CE 4.39Å; P94-M186 HydrophobicContact CB-SD 3.62Å; P94-M186 HydrophobicContact CG-SD 3.87Å |
| 95 | F | 82 | Confident | 71.6 | Confident | 25 Ų | 25 | 68.7 Ų | 68.7 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.1 | -36.5 | -178.7 | -68.9 | -68.8 | 0 | 0 | 0 | 112.1 | N93 L97 M98 H99 R163 M186 Q188 | N93-F95 VanDerWaalsContact C-N 3.27Å; N93-F95 PolarHBondContact O-N 2.94Å; N93-F95 PolarHBondContact OD1-N 3.46Å; N93-F95 VanDerWaalsContact OD1-N 3.15Å; F95-L97 VanDerWaalsContact C-N 3.31Å; F95-L97 PolarHBondContact O-N 3.31Å; F95-M98 PolarHBondContact O-N 3.32Å; F95-H99 VanDerWaalsContact O-CB 3.3Å; F95-H99 WeakPolarHBondContact O-CB 3.4Å; F95-H99 PolarHBondContact O-N 2.89Å; F95-R163 HydrophobicContact CZ-CG 4.23Å; F95-M186 HydrophobicContact CE1-CB 3.98Å; F95-M186 HydrophobicContact CZ-CB 4.34Å; F95-Q188 HydrophobicContact CE1-CB 4.22Å; F95-Q188 HydrophobicContact CZ-CB 3.87Å |
| 96 | A | 81.3 | Confident | 72.8 | Confident | 48 Ų | 48 | 69.1 Ų | 69.1 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | N93 H99 Q100 | N93-A96 HydrophobicContact CB-CB 3.89Å; N93-A96 PolarHBondContact O-N 2.81Å; N93-A96 PolarHBondContact OD1-N 3.19Å; A96-H99 PolarHBondContact O-N 3.48Å; A96-Q100 PolarHBondContact O-N 3.44Å |
| 97 | L | 81.3 | Confident | 74.2 | Confident | 41 Ų | 41 | 72 Ų | 72 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.7 | -46 | 175.4 | 178.6 | 55.1 | 0 | 0 | 0 | 111.8 | F86 N93 P94 F95 H99 Q100 M101 | F86-L97 HydrophobicContact CB-CD2 4.28Å; F86-L97 HydrophobicContact CD1-CD2 3.13Å; F86-L97 HydrophobicContact CD1-CG 4.1Å; F86-L97 HydrophobicContact CD2-CD2 4.48Å; F86-L97 HydrophobicContact CE1-CB 4.46Å; F86-L97 HydrophobicContact CE1-CD2 3.43Å; F86-L97 VanDerWaalsContact CE1-CD2 3.43Å; F86-L97 HydrophobicContact CE1-CG 3.89Å; F86-L97 HydrophobicContact CG-CD2 3.74Å; F86-L97 HydrophobicContact CZ-CD2 4.28Å; F86-L97 HydrophobicContact CZ-CG 4.48Å; N93-L97 PolarHBondContact O-N 2.9Å; P94-L97 PolarHBondContact O-N 3.45Å; F95-L97 VanDerWaalsContact C-N 3.31Å; F95-L97 PolarHBondContact O-N 3.31Å; L97-H99 VanDerWaalsContact C-N 3.3Å; L97-H99 PolarHBondContact O-N 2.9Å; L97-Q100 WeakPolarHBondContact O-CB 3.45Å; L97-Q100 PolarHBondContact O-N 2.97Å; L97-Q100 VanDerWaalsContact O-N 3.13Å; L97-M101 HydrophobicContact CD1-CG 4.25Å; L97-M101 HydrophobicContact CD1-SD 4.35Å; L97-M101 HydrophobicContact CG-SD 4.32Å; L97-M101 WeakPolarHBondContact O-CG 3.35Å; L97-M101 PolarHBondContact O-N 2.9Å |
| 98 | M | 85.1 | Confident | 75.7 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 175.7 | -69.3 | -174.8 | -173 | 0 | 0 | 111.9 | L81 F86 P94 F95 Q100 M101 D102 V123 M186 | L81-M98 HydrophobicContact CD1-CB 4.37Å; L81-M98 HydrophobicContact CD1-CG 4.11Å; F86-M98 HydrophobicContact CE1-CE 4.27Å; F86-M98 HydrophobicContact CZ-CE 4.17Å; F86-M98 HydrophobicContact CZ-CG 4.37Å; P94-M98 WeakPolarHBondContact O-CG 3.39Å; P94-M98 PolarHBondContact O-N 3.05Å; F95-M98 PolarHBondContact O-N 3.32Å; M98-Q100 PolarHBondContact O-N 2.85Å; M98-M101 PolarHBondContact O-N 2.82Å; M98-D102 WeakPolarHBondContact O-CB 3.37Å; M98-D102 VanDerWaalsContact O-CG 3.26Å; M98-D102 PolarHBondContact O-N 2.94Å; M98-V123 HydrophobicContact CB-CG1 4.5Å; M98-M186 HydrophobicContact CE-CB 3.73Å; M98-M186 HydrophobicContact CE-CG 3.71Å; M98-M186 VanDerWaalsContact CE-N 3.33Å; M98-M186 HydrophobicContact CE-SD 4.14Å; M98-M186 HydrophobicContact SD-CB 3.86Å; M98-M186 PolarHBondContact SD-N 3.23Å |
| 99 | H | 82.7 | Confident | 77.1 | Confident | 58 Ų | 58 | 65 Ų | 65 | 27% | 0.269 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 174.8 | 177 | -109.4 | 0 | 0 | 0 | 112.4 | F95 A96 L97 R103 V123 N124 | F95-H99 VanDerWaalsContact O-CB 3.3Å; F95-H99 WeakPolarHBondContact O-CB 3.4Å; F95-H99 PolarHBondContact O-N 2.89Å; A96-H99 PolarHBondContact O-N 3.48Å; L97-H99 VanDerWaalsContact C-N 3.3Å; L97-H99 PolarHBondContact O-N 2.9Å; H99-R103 PolarHBondContact CE1-NE 3.27Å; H99-R103 WeakPolarHBondContact O-CG 3.4Å; H99-R103 PolarHBondContact O-N 2.8Å; H99-R103 VanDerWaalsContact O-N 3.1Å; H99-V123 HydrophobicContact CB-CG2 4.32Å; H99-N124 PolarHBondContact CD2-ND2 2.93Å; H99-N124 PolarHBondContact NE2-ND2 2.97Å |
| 100 | Q | 84.3 | Confident | 78.8 | Confident | 91 Ų | 91 | 68.4 Ų | 68.4 | 43% | 0.425 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 172.6 | -179.8 | -178.2 | -52.5 | 0 | 0 | 111.2 | A96 L97 M98 R103 Q104 | A96-Q100 PolarHBondContact O-N 3.44Å; L97-Q100 WeakPolarHBondContact O-CB 3.45Å; L97-Q100 PolarHBondContact O-N 2.97Å; L97-Q100 VanDerWaalsContact O-N 3.13Å; M98-Q100 PolarHBondContact O-N 2.85Å; Q100-R103 PolarHBondContact O-N 3.23Å; Q100-Q104 WeakPolarHBondContact O-CG 3.43Å; Q100-Q104 PolarHBondContact O-N 3.22Å |
| 101 | M | 84.4 | Confident | 80.5 | Confident | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 178.6 | -68 | -179.1 | 73 | 0 | 0 | 111.6 | L81 T85 F86 L97 M98 R103 Q104 I105 | L81-M101 HydrophobicContact CB-CE 3.86Å; L81-M101 HydrophobicContact CB-SD 4.35Å; L81-M101 HydrophobicContact CD1-CB 3.89Å; L81-M101 HydrophobicContact CD1-CE 4.02Å; L81-M101 HydrophobicContact CD1-CG 4.44Å; L81-M101 HydrophobicContact CD1-SD 3.78Å; L81-M101 HydrophobicContact CD2-CE 4.17Å; L81-M101 HydrophobicContact CG-CE 4.24Å; T85-M101 HydrophobicContact CG2-CE 3.94Å; T85-M101 HydrophobicContact CG2-SD 4.16Å; F86-M101 HydrophobicContact CE2-SD 4.1Å; F86-M101 HydrophobicContact CZ-SD 4.12Å; L97-M101 HydrophobicContact CD1-CG 4.25Å; L97-M101 HydrophobicContact CD1-SD 4.35Å; L97-M101 HydrophobicContact CG-SD 4.32Å; L97-M101 WeakPolarHBondContact O-CG 3.35Å; L97-M101 PolarHBondContact O-N 2.9Å; M98-M101 PolarHBondContact O-N 2.82Å; M101-R103 VanDerWaalsContact C-N 3.31Å; M101-R103 PolarHBondContact O-N 3.07Å; M101-Q104 PolarHBondContact O-N 3.41Å; M101-Q104 VanDerWaalsContact O-N 3.13Å; M101-I105 WeakPolarHBondContact O-CG1 3.17Å; M101-I105 PolarHBondContact O-N 3.41Å |
| 102 | D | 84.8 | Confident | 81.6 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 4% | 0.043 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.3 | -45.2 | 174.8 | -73.4 | -10.5 | 0 | 0 | 0 | 111.3 | M98 I105 Q106 V123 R185 | M98-D102 WeakPolarHBondContact O-CB 3.37Å; M98-D102 VanDerWaalsContact O-CG 3.26Å; M98-D102 PolarHBondContact O-N 2.94Å; D102-I105 PolarHBondContact O-N 3.14Å; D102-Q106 WeakPolarHBondContact O-CB 3.39Å; D102-Q106 PolarHBondContact O-N 3.48Å; D102-V123 PolarHBondContact OD2-N 3.43Å; D102-R185 IonicContact OD1-CZ 3.72Å; D102-R185 VanDerWaalsContact OD1-CZ 3.26Å; D102-R185 IonicContact OD1-NH1 3.33Å; D102-R185 PolarHBondContact OD1-NH1 3.4Å; D102-R185 IonicContact OD1-NH2 2.92Å; D102-R185 PolarHBondContact OD1-NH2 3.16Å; D102-R185 IonicContact OD2-CZ 2.96Å; D102-R185 IonicContact OD2-NH1 2.8Å; D102-R185 IonicContact OD2-NH2 2.8Å; D102-R185 PolarHBondContact OD2-NH2 3.03Å |
| 103 | R | 84.3 | Confident | 81.6 | Confident | 139 Ų | 139 | 68.9 Ų | 68.9 | 53% | 0.525 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 175.5 | -73.4 | -171.6 | -65.6 | 150.5 | -0.9 | 112 | H99 Q100 M101 I105 Q106 D107 | H99-R103 PolarHBondContact CE1-NE 3.27Å; H99-R103 WeakPolarHBondContact O-CG 3.4Å; H99-R103 PolarHBondContact O-N 2.8Å; H99-R103 VanDerWaalsContact O-N 3.1Å; Q100-R103 PolarHBondContact O-N 3.23Å; M101-R103 VanDerWaalsContact C-N 3.31Å; M101-R103 PolarHBondContact O-N 3.07Å; R103-I105 PolarHBondContact O-N 3.28Å; R103-Q106 PolarHBondContact O-N 2.66Å; R103-D107 WeakPolarHBondContact O-CB 3.37Å; R103-D107 PolarHBondContact O-N 3.45Å |
| 104 | Q | 85 | Confident | 80.7 | Confident | 101 Ų | 101 | 67.5 Ų | 67.5 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 178 | -73.2 | -179.7 | -50.5 | 0 | 0 | 112.4 | Q100 M101 Q106 D107 I108 | Q100-Q104 WeakPolarHBondContact O-CG 3.43Å; Q100-Q104 PolarHBondContact O-N 3.22Å; M101-Q104 PolarHBondContact O-N 3.41Å; M101-Q104 VanDerWaalsContact O-N 3.13Å; Q104-Q106 VanDerWaalsContact C-N 3.33Å; Q104-D107 PolarHBondContact O-N 3.23Å; Q104-I108 VanDerWaalsContact O-CG1 3.24Å; Q104-I108 WeakPolarHBondContact O-CG1 3.26Å; Q104-I108 PolarHBondContact O-N 3.29Å |
| 105 | I | 83.1 | Confident | 79.6 | Confident | 38 Ų | 38 | 73.9 Ų | 73.9 | 20% | 0.195 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 177 | -66.6 | 169.9 | 0 | 0 | 0 | 110.3 | L81 M101 D102 R103 I108 R109 V117 T120 | L81-I105 HydrophobicContact CD2-CD1 3.92Å; M101-I105 WeakPolarHBondContact O-CG1 3.17Å; M101-I105 PolarHBondContact O-N 3.41Å; D102-I105 PolarHBondContact O-N 3.14Å; R103-I105 PolarHBondContact O-N 3.28Å; I105-I108 PolarHBondContact O-N 3.42Å; I105-R109 WeakPolarHBondContact O-CB 3.44Å; I105-R109 PolarHBondContact O-N 2.46Å; I105-V117 HydrophobicContact CG2-CG1 3.79Å; I105-T120 HydrophobicContact CD1-CG2 3.72Å; I105-T120 HydrophobicContact CG2-CG2 3.98Å |
| 106 | Q | 82.1 | Confident | 78.6 | Confident | 73 Ų | 73 | 79.5 Ų | 79.5 | 34% | 0.341 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.4 | -176.9 | 57.8 | 27.7 | 0 | 0 | 112 | D102 R103 Q104 I108 R109 E110 | D102-Q106 WeakPolarHBondContact O-CB 3.39Å; D102-Q106 PolarHBondContact O-N 3.48Å; R103-Q106 PolarHBondContact O-N 2.66Å; Q104-Q106 VanDerWaalsContact C-N 3.33Å; Q106-I108 VanDerWaalsContact C-N 3.33Å; Q106-I108 PolarHBondContact O-N 2.97Å; Q106-R109 WeakPolarHBondContact O-CB 3.1Å; Q106-R109 PolarHBondContact O-N 3.06Å; Q106-R109 VanDerWaalsContact O-N 3.16Å; Q106-E110 PolarHBondContact NE2-OE1 2.97Å; Q106-E110 WeakPolarHBondContact O-CG 3.1Å; Q106-E110 PolarHBondContact O-N 3.36Å |
| 107 | D | 84.6 | Confident | 77.6 | Confident | 77 Ų | 77 | 78.4 Ų | 78.4 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 175.1 | -77.8 | 10.4 | 0 | 0 | 0 | 111.9 | R103 Q104 R109 E110 R111 | R103-D107 WeakPolarHBondContact O-CB 3.37Å; R103-D107 PolarHBondContact O-N 3.45Å; Q104-D107 PolarHBondContact O-N 3.23Å; D107-R109 VanDerWaalsContact C-N 3.33Å; D107-E110 PolarHBondContact O-N 3.16Å; D107-R111 WeakPolarHBondContact O-CB 3.43Å; D107-R111 VanDerWaalsContact O-CG 3.26Å; D107-R111 WeakPolarHBondContact O-CG 3.33Å; D107-R111 PolarHBondContact O-N 3.32Å |
| 108 | I | 83.1 | Confident | 76.6 | Confident | 81 Ų | 81 | 80.2 Ų | 80.2 | 42% | 0.415 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 176.3 | -71 | 165.8 | 0 | 0 | 0 | 110.1 | Q104 I105 Q106 R111 M112 V117 | Q104-I108 VanDerWaalsContact O-CG1 3.24Å; Q104-I108 WeakPolarHBondContact O-CG1 3.26Å; Q104-I108 PolarHBondContact O-N 3.29Å; I105-I108 PolarHBondContact O-N 3.42Å; Q106-I108 VanDerWaalsContact C-N 3.33Å; Q106-I108 PolarHBondContact O-N 2.97Å; I108-R111 PolarHBondContact O-N 2.96Å; I108-M112 HydrophobicContact CG2-CE 3.57Å; I108-M112 HydrophobicContact CG2-CG 4.21Å; I108-M112 HydrophobicContact CG2-SD 4.3Å; I108-M112 WeakPolarHBondContact O-CB 3.29Å; I108-M112 WeakPolarHBondContact O-CG 3.37Å; I108-M112 PolarHBondContact O-N 3.41Å; I108-V117 HydrophobicContact CG2-CG2 4.24Å |
| 109 | R | 80.3 | Confident | 75.8 | Confident | 49 Ų | 49 | 81.3 Ų | 81.3 | 19% | 0.185 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 178.1 | -173.1 | -175 | -170.1 | 170.7 | 11.9 | 112 | I105 Q106 D107 R111 G113 V117 S119 | I105-R109 WeakPolarHBondContact O-CB 3.44Å; I105-R109 PolarHBondContact O-N 2.46Å; Q106-R109 WeakPolarHBondContact O-CB 3.1Å; Q106-R109 PolarHBondContact O-N 3.06Å; Q106-R109 VanDerWaalsContact O-N 3.16Å; D107-R109 VanDerWaalsContact C-N 3.33Å; R109-R111 VanDerWaalsContact C-N 3.33Å; R109-R111 PolarHBondContact O-N 2.89Å; R109-G113 PolarHBondContact O-N 3.3Å; R109-V117 HydrophobicContact CB-CB 4.36Å; R109-V117 HydrophobicContact CB-CG1 4.49Å; R109-V117 HydrophobicContact CG-CB 4.49Å; R109-S119 PolarHBondContact NH1-OG 3.43Å |
| 110 | E | 82.3 | Confident | 75.3 | Confident | 133 Ų | 133 | 79.5 Ų | 79.5 | 62% | 0.621 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.4 | -39.5 | 177.9 | -73.2 | 174.9 | -168.2 | 0 | 0 | 111.9 | Q106 D107 | Q106-E110 PolarHBondContact NE2-OE1 2.97Å; Q106-E110 WeakPolarHBondContact O-CG 3.1Å; Q106-E110 PolarHBondContact O-N 3.36Å; D107-E110 PolarHBondContact O-N 3.16Å |
| 111 | R | 83.8 | Confident | 74.9 | Confident | 213 Ų | 213 | 75.4 Ų | 75.4 | 80% | 0.804 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -72.4 | -41.2 | 177.8 | -72.4 | 176 | -174.5 | -151.7 | 3.3 | 113.6 | D107 I108 R109 G113 | D107-R111 WeakPolarHBondContact O-CB 3.43Å; D107-R111 VanDerWaalsContact O-CG 3.26Å; D107-R111 WeakPolarHBondContact O-CG 3.33Å; D107-R111 PolarHBondContact O-N 3.32Å; I108-R111 PolarHBondContact O-N 2.96Å; R109-R111 VanDerWaalsContact C-N 3.33Å; R109-R111 PolarHBondContact O-N 2.89Å; R111-G113 VanDerWaalsContact C-N 3.29Å |
| 112 | M | 76.9 | Confident | 74.6 | Confident | 113 Ų | 113 | 76.4 Ų | 76.4 | 56% | 0.557 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -79 | -15.4 | -178.2 | -66.6 | -151.6 | -62.8 | 0 | 0 | 112.4 | I108 S114 V117 | I108-M112 HydrophobicContact CG2-CE 3.57Å; I108-M112 HydrophobicContact CG2-CG 4.21Å; I108-M112 HydrophobicContact CG2-SD 4.3Å; I108-M112 WeakPolarHBondContact O-CB 3.29Å; I108-M112 WeakPolarHBondContact O-CG 3.37Å; I108-M112 PolarHBondContact O-N 3.41Å; M112-S114 PolarHBondContact O-N 3Å; M112-V117 HydrophobicContact CE-CG2 3.17Å |
| 113 | G | 65.6 | Low | 74.2 | Confident | 68 Ų | 68 | 76.7 Ų | 76.7 | 70% | 0.701 | 40% | 0.396 | S | S | * | . | trans | 58.6 | 9.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R109 R111 | R109-G113 PolarHBondContact O-N 3.3Å; R111-G113 VanDerWaalsContact C-N 3.29Å | ||
| 114 | S | 57.3 | Low | 73.7 | Confident | 29 Ų | 29 | 72.6 Ų | 72.6 | 20% | 0.203 | 39% | 0.385 | C | S | . | . | trans | -105.2 | 135.2 | -171.5 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | M112 D116 | M112-S114 PolarHBondContact O-N 3Å; S114-D116 PolarHBondContact O-N 3.47Å; S114-D116 VanDerWaalsContact OG-CB 3.22Å; S114-D116 WeakPolarHBondContact OG-CB 3.33Å; S114-D116 PolarHBondContact OG-N 3.36Å; S114-D116 PolarHBondContact OG-OD2 2.82Å | ||
| 115 | L | 58.3 | Low | 73.5 | Confident | 150 Ų | 150 | 70.1 Ų | 70.1 | 79% | 0.785 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -7.4 | 166.3 | -83.7 | 85.9 | 0 | 0 | 0 | 112.4 | V117 | L115-V117 PolarHBondContact O-N 3.23Š|
| 116 | D | 59.2 | Low | 73.8 | Confident | 144 Ų | 144 | 69.4 Ų | 69.4 | 77% | 0.77 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.4 | -179.3 | -59.4 | -32.9 | 0 | 0 | 0 | 113 | S114 P118 | S114-D116 PolarHBondContact O-N 3.47Å; S114-D116 VanDerWaalsContact OG-CB 3.22Å; S114-D116 WeakPolarHBondContact OG-CB 3.33Å; S114-D116 PolarHBondContact OG-N 3.36Å; S114-D116 PolarHBondContact OG-OD2 2.82Å; D116-P118 WeakPolarHBondContact O-CD 3.32Å |
| 117 | V | 61.3 | Low | 74.2 | Confident | 24 Ų | 24 | 66.4 Ų | 66.4 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -90.4 | 110.2 | 167.8 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | I105 I108 R109 M112 L115 S119 | I105-V117 HydrophobicContact CG2-CG1 3.79Å; I108-V117 HydrophobicContact CG2-CG2 4.24Å; R109-V117 HydrophobicContact CB-CB 4.36Å; R109-V117 HydrophobicContact CB-CG1 4.49Å; R109-V117 HydrophobicContact CG-CB 4.49Å; M112-V117 HydrophobicContact CE-CG2 3.17Å; L115-V117 PolarHBondContact O-N 3.23Å; V117-S119 PolarHBondContact O-N 2.98Å |
| 118 | P | 60.7 | Low | 74.3 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | trans | -57.8 | 139.9 | 178.5 | -23.2 | 34.6 | 0 | 0 | 0 | 110.6 | D116 T120 | D116-P118 WeakPolarHBondContact O-CD 3.32Å; P118-T120 PolarHBondContact O-N 2.87Å | ||
| 119 | S | 68.4 | Low | 74.7 | Confident | 24 Ų | 24 | 61.9 Ų | 61.9 | 17% | 0.168 | 33% | 0.331 | C | S | . | . | trans | -59.3 | 126 | 168.3 | -152.3 | 0 | 0 | 0 | 0 | 108.1 | R75 R109 V117 | R75-S119 PolarHBondContact O-OG 2.97Å; R109-S119 PolarHBondContact NH1-OG 3.43Å; V117-S119 PolarHBondContact O-N 2.98Å | ||
| 120 | T | 71 | Confident | 75.3 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | trans | -95.4 | 109.8 | 169.1 | 56.4 | 0 | 0 | 0 | 0 | 107.1 | A79 I105 P118 S122 | A79-T120 HydrophobicContact CB-CG2 3.51Å; I105-T120 HydrophobicContact CD1-CG2 3.72Å; I105-T120 HydrophobicContact CG2-CG2 3.98Å; P118-T120 PolarHBondContact O-N 2.87Å; T120-S122 PolarHBondContact O-N 3.41Å | ||
| 121 | G | 75.9 | Confident | 75.9 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | trans | -44.5 | 129.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | M77 F78 R185 | M77-G121 PolarHBondContact O-N 3.49Å; F78-G121 WeakPolarHBondContact CD1-O 3.47Å; F78-G121 VanDerWaalsContact CE1-O 3.28Å; F78-G121 WeakPolarHBondContact CE1-O 3.21Å; G121-R185 PolarHBondContact O-NH2 2.96Å | ||
| 122 | S | 78.7 | Confident | 76.4 | Confident | 37 Ų | 37 | 43.8 Ų | 43.8 | 26% | 0.259 | 26% | 0.258 | S | S | . | . | trans | -82.8 | 138.5 | -173.8 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | T120 N124 D125 F126 | T120-S122 PolarHBondContact O-N 3.41Å; S122-N124 PolarHBondContact O-N 2.81Å; S122-N124 PolarHBondContact OG-N 3.32Å; S122-D125 PolarHBondContact O-N 2.74Å; S122-D125 VanDerWaalsContact O-N 3.1Å; S122-F126 PolarHBondContact O-N 3.02Å | ||
| 123 | V | 77.3 | Confident | 77.3 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -16.3 | 172.9 | -65.6 | 0 | 0 | 0 | 0 | 113.5 | F78 M98 H99 D102 F126 | F78-V123 HydrophobicContact CE1-CG1 4.21Å; M98-V123 HydrophobicContact CB-CG1 4.5Å; H99-V123 HydrophobicContact CB-CG2 4.32Å; D102-V123 PolarHBondContact OD2-N 3.43Å; V123-F126 VanDerWaalsContact O-CD1 3.32Å; V123-F126 WeakPolarHBondContact O-CD1 3.37Å; V123-F126 WeakPolarHBondContact O-CE1 3.35Å |
| 124 | N | 73.6 | Confident | 78.6 | Confident | 53 Ų | 53 | 35.3 Ų | 35.3 | 28% | 0.283 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -5.9 | 179.4 | -66.7 | -21 | 0 | 0 | 0 | 114.4 | H99 S122 Q349 | H99-N124 PolarHBondContact CD2-ND2 2.93Å; H99-N124 PolarHBondContact NE2-ND2 2.97Å; S122-N124 PolarHBondContact O-N 2.81Å; S122-N124 PolarHBondContact OG-N 3.32Å; N124-Q349 PolarHBondContact OD1-NE2 2.96Å |
| 125 | D | 81.3 | Confident | 80.2 | Confident | 49 Ų | 49 | 39.7 Ų | 39.7 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -14.6 | -173.9 | -172.4 | 9.9 | 0 | 0 | 0 | 113 | S122 L127 K128 S290 | S122-D125 PolarHBondContact O-N 2.74Å; S122-D125 VanDerWaalsContact O-N 3.1Å; D125-L127 PolarHBondContact O-N 2.84Å; D125-K128 VanDerWaalsContact CG-NZ 3.31Å; D125-K128 WeakPolarHBondContact OD1-CD 3.38Å; D125-K128 WeakPolarHBondContact OD1-CE 3.44Å; D125-K128 IonicContact OD1-NZ 3.86Å; D125-K128 PolarHBondContact OD1-NZ 2.84Å; D125-K128 IonicContact OD2-NZ 2.73Å; D125-K128 PolarHBondContact OD2-NZ 2.81Å; D125-S290 VanDerWaalsContact CG-CB 3.49Å; D125-S290 WeakPolarHBondContact OD1-CB 3.3Å; D125-S290 PolarHBondContact OD1-OG 3.32Å |
| 126 | F | 88.1 | Confident | 81.6 | Confident | 23 Ų | 23 | 35.6 Ų | 35.6 | 10% | 0.101 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -62.5 | -25.6 | -169.2 | 77.3 | -81.4 | 0 | 0 | 0 | 115 | F78 S122 V123 K128 D129 A130 F141 V143 V187 Q188 | F78-F126 HydrophobicContact CE1-CB 4.24Å; F78-F126 HydrophobicContact CE2-CB 4.02Å; F78-F126 HydrophobicContact CE2-CD2 4.26Å; F78-F126 HydrophobicContact CE2-CG 4.09Å; F78-F126 HydrophobicContact CZ-CB 3.44Å; F78-F126 VanDerWaalsContact CZ-CB 3.44Å; F78-F126 AromaticContact CZ-CD1 3.82Å; F78-F126 HydrophobicContact CZ-CD1 3.82Å; F78-F126 HydrophobicContact CZ-CD2 4.11Å; F78-F126 AromaticContact CZ-CG 3.52Å; F78-F126 HydrophobicContact CZ-CG 3.52Å; S122-F126 PolarHBondContact O-N 3.02Å; V123-F126 VanDerWaalsContact O-CD1 3.32Å; V123-F126 WeakPolarHBondContact O-CD1 3.37Å; V123-F126 WeakPolarHBondContact O-CE1 3.35Å; F126-K128 VanDerWaalsContact C-N 3.28Å; F126-K128 PolarHBondContact O-N 2.66Å; F126-D129 PolarHBondContact O-N 2.81Å; F126-A130 HydrophobicContact CD2-CB 3.95Å; F126-A130 HydrophobicContact CE2-CB 4.31Å; F126-A130 WeakPolarHBondContact O-CB 3.42Å; F126-A130 PolarHBondContact O-N 2.87Å; F126-A130 VanDerWaalsContact O-N 3.1Å; F126-F141 HydrophobicContact CE2-CE2 4.03Å; F126-F141 HydrophobicContact CE2-CZ 4.01Å; F126-V143 HydrophobicContact CD2-CG1 3.65Å; F126-V143 HydrophobicContact CE2-CG1 3.87Å; F126-V187 HydrophobicContact CD2-CG1 4.39Å; F126-V187 HydrophobicContact CE1-CG1 4.15Å; F126-V187 HydrophobicContact CE2-CG1 3.72Å; F126-V187 HydrophobicContact CZ-CG1 3.58Å; F126-Q188 WeakPolarHBondContact CZ-O 3.48Å |
| 127 | L | 89.8 | Confident | 83.1 | Confident | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -63.3 | -28.8 | -170.6 | -72 | 177.6 | 0 | 0 | 0 | 114.4 | D125 D129 A130 Y131 F141 P190 T325 | D125-L127 PolarHBondContact O-N 2.84Å; L127-D129 PolarHBondContact O-N 3.5Å; L127-A130 HydrophobicContact CD2-CB 4.4Å; L127-A130 PolarHBondContact O-N 3.34Å; L127-Y131 HydrophobicContact CD2-CE2 4.21Å; L127-Y131 WeakPolarHBondContact O-CD2 3.41Å; L127-F141 HydrophobicContact CD2-CE2 4.24Å; L127-P190 HydrophobicContact CD1-CG 4.4Å; L127-P190 HydrophobicContact CD2-CG 3.33Å; L127-T325 HydrophobicContact CD1-CG2 4.02Å |
| 128 | K | 87.5 | Confident | 84.5 | Confident | 39 Ų | 39 | 32.8 Ų | 32.8 | 17% | 0.17 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -62.9 | -29.9 | 179.5 | 72 | -175 | 178.1 | -162 | 0 | 113.8 | D125 F126 D289 S290 | D125-K128 VanDerWaalsContact CG-NZ 3.31Å; D125-K128 WeakPolarHBondContact OD1-CD 3.38Å; D125-K128 WeakPolarHBondContact OD1-CE 3.44Å; D125-K128 IonicContact OD1-NZ 3.86Å; D125-K128 PolarHBondContact OD1-NZ 2.84Å; D125-K128 IonicContact OD2-NZ 2.73Å; D125-K128 PolarHBondContact OD2-NZ 2.81Å; F126-K128 VanDerWaalsContact C-N 3.28Å; F126-K128 PolarHBondContact O-N 2.66Å; K128-D289 WeakPolarHBondContact CD-OD1 3.33Å; K128-D289 IonicContact NZ-OD1 3.25Å; K128-D289 PolarHBondContact NZ-OD1 2.72Å; K128-S290 PolarHBondContact NZ-OG 2.92Å |
| 129 | D | 91.1 | Very high | 86.1 | Confident | 24 Ų | 24 | 29.1 Ų | 29.1 | 13% | 0.128 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -110.8 | 1.2 | -178.8 | -64.9 | -40.7 | 0 | 0 | 0 | 111.3 | R72 F126 L127 Y131 Q229 | R72-D129 WeakPolarHBondContact CD-OD1 3.44Å; R72-D129 IonicContact NE-OD1 3.37Å; F126-D129 PolarHBondContact O-N 2.81Å; L127-D129 PolarHBondContact O-N 3.5Å; D129-Y131 VanDerWaalsContact C-N 3.34Å; D129-Q229 PolarHBondContact OD1-NE2 2.89Å |
| 130 | A | 94.2 | Very high | 87.4 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -82.1 | -12.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | F126 L127 F141 K142 V143 | F126-A130 HydrophobicContact CD2-CB 3.95Å; F126-A130 HydrophobicContact CE2-CB 4.31Å; F126-A130 WeakPolarHBondContact O-CB 3.42Å; F126-A130 PolarHBondContact O-N 2.87Å; F126-A130 VanDerWaalsContact O-N 3.1Å; L127-A130 HydrophobicContact CD2-CB 4.4Å; L127-A130 PolarHBondContact O-N 3.34Å; A130-F141 HydrophobicContact CB-CD2 3.95Å; A130-F141 HydrophobicContact CB-CE2 3.69Å; A130-F141 CarbonylContact O-C 3.58Å; A130-F141 VanDerWaalsContact O-CA 3.23Å; A130-F141 WeakPolarHBondContact O-CA 3.33Å; A130-K142 WeakPolarHBondContact CA-O 3.37Å; A130-K142 PolarHBondContact O-N 3.43Å; A130-V143 HydrophobicContact CB-CG1 4.05Å |
| 131 | Y | 94.7 | Very high | 88.6 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 119 | 177.6 | -63.8 | -78.3 | 0 | 0 | 0 | 110 | L127 D129 V139 H140 F141 P190 S192 I193 V214 V230 D327 P328 L329 | L127-Y131 HydrophobicContact CD2-CE2 4.21Å; L127-Y131 WeakPolarHBondContact O-CD2 3.41Å; D129-Y131 VanDerWaalsContact C-N 3.34Å; Y131-V139 HydrophobicContact CD1-CG1 4.1Å; Y131-V139 HydrophobicContact CG-CG1 4.49Å; Y131-H140 WeakPolarHBondContact CA-O 3.32Å; Y131-F141 HydrophobicContact CE1-CB 4.32Å; Y131-F141 HydrophobicContact CE1-CD2 4.02Å; Y131-P190 WeakPolarHBondContact OH-CB 3.35Å; Y131-P190 VanDerWaalsContact OH-CG 3.31Å; Y131-P190 WeakPolarHBondContact OH-CG 3.41Å; Y131-S192 PolarHBondContact OH-OG 2.97Å; Y131-I193 HydrophobicContact CE1-CG2 4.46Å; Y131-V214 HydrophobicContact CD1-CG1 3.81Å; Y131-V214 HydrophobicContact CE1-CG1 3.66Å; Y131-V230 WeakPolarHBondContact O-CG2 3.46Å; Y131-D327 PolarHBondContact OH-OD1 2.85Å; Y131-P328 HydrophobicContact CD2-CB 4.38Å; Y131-P328 HydrophobicContact CD2-CG 3.95Å; Y131-P328 HydrophobicContact CE2-CG 4.01Å; Y131-L329 HydrophobicContact CD1-CD1 3.55Å; Y131-L329 HydrophobicContact CD1-CG 3.91Å; Y131-L329 HydrophobicContact CE1-CD1 3.31Å; Y131-L329 HydrophobicContact CE1-CG 3.73Å; Y131-L329 HydrophobicContact CG-CD1 4.42Å; Y131-L329 HydrophobicContact CG-CG 4.34Å |
| 132 | E | 94.6 | Very high | 89.6 | Confident | 12 Ų | 12 | 28.6 Ų | 28.6 | 6% | 0.056 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 157.9 | -174.1 | -67.8 | 179.9 | -103.5 | 0 | 0 | 111.4 | R25 G134 V139 H140 R144 | R25-E132 IonicContact CZ-OE2 3.86Å; R25-E132 IonicContact NH1-OE2 3.12Å; R25-E132 PolarHBondContact NH1-OE2 3.38Å; R25-E132 IonicContact NH2-OE2 3.48Å; E132-G134 PolarHBondContact O-N 3.32Å; E132-V139 CarbonylContact O-C 3.57Å; E132-V139 WeakPolarHBondContact O-CA 2.73Å; E132-H140 PolarHBondContact N-O 3.18Å; E132-H140 PolarHBondContact O-N 3Å; E132-R144 IonicContact OE1-CZ 3.04Å; E132-R144 IonicContact OE1-NH1 2.94Å; E132-R144 PolarHBondContact OE1-NH1 3.08Å; E132-R144 IonicContact OE1-NH2 2.77Å; E132-R144 PolarHBondContact OE1-NH2 3.03Å; E132-R144 IonicContact OE2-NH2 3.33Å; E132-R144 PolarHBondContact OE2-NH2 3.39Å |
| 133 | V | 94.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 126.5 | 173.9 | -173.7 | 0 | 0 | 0 | 0 | 110 | L32 W51 V55 W58 K138 L224 | L32-V133 HydrophobicContact CD1-CG1 4.01Å; W51-V133 HydrophobicContact CH2-CG2 4.29Å; W51-V133 HydrophobicContact CZ2-CG2 4.06Å; V55-V133 HydrophobicContact CG1-CG1 4.27Å; V55-V133 HydrophobicContact CG2-CG1 4.4Å; V55-V133 HydrophobicContact CG2-CG2 4.4Å; W58-V133 HydrophobicContact CD2-CG2 4.44Å; W58-V133 HydrophobicContact CE3-CB 4.29Å; W58-V133 HydrophobicContact CE3-CG2 4.17Å; W58-V133 HydrophobicContact CH2-CB 3.88Å; W58-V133 HydrophobicContact CH2-CG2 4.42Å; W58-V133 HydrophobicContact CZ2-CB 4.44Å; W58-V133 HydrophobicContact CZ3-CB 3.8Å; W58-V133 HydrophobicContact CZ3-CG1 4.22Å; W58-V133 HydrophobicContact CZ3-CG2 4.19Å; V133-K138 CarbonylContact C-O 3.54Å; V133-K138 WeakPolarHBondContact CA-O 3.48Å; V133-L224 HydrophobicContact CG2-CD1 4.09Å |
| 134 | G | 93 | Very high | 91.4 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | trans | -83.4 | 175.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L32 E132 D136 G137 K138 | L32-G134 WeakPolarHBondContact CD2-O 3.46Å; E132-G134 PolarHBondContact O-N 3.32Å; G134-D136 PolarHBondContact O-N 2.98Å; G134-G137 PolarHBondContact O-N 3.19Å; G134-K138 PolarHBondContact N-O 3.21Å | ||
| 135 | E | 91.2 | Very high | 92.5 | Very high | 120 Ų | 120 | 25 Ų | 25 | 56% | 0.561 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -25.8 | 175.7 | -64.1 | 174.8 | -176.6 | 0 | 0 | 111.8 | L28 H39 G137 | L28-E135 HydrophobicContact CD1-CB 4.37Å; L28-E135 HydrophobicContact CD1-CG 3.67Å; H39-E135 PolarHBondContact CE1-O 3.3Å; H39-E135 PolarHBondContact NE2-O 3.21Å; E135-G137 VanDerWaalsContact C-N 3.27Å; E135-G137 PolarHBondContact O-N 3.12Å |
| 136 | D | 88.9 | Confident | 93.2 | Very high | 65 Ų | 65 | 25.4 Ų | 25.4 | 35% | 0.348 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 10.3 | 173.9 | 72.9 | -13.2 | 0 | 0 | 0 | 113.7 | H39 G134 K138 H140 | H39-D136 WeakPolarHBondContact CE1-CA 3.39Å; H39-D136 PolarHBondContact CE1-O 2.78Å; H39-D136 VanDerWaalsContact ND1-C 3.3Å; H39-D136 PolarHBondContact ND1-O 3.32Å; G134-D136 PolarHBondContact O-N 2.98Å; D136-K138 PolarHBondContact O-N 3.02Å; D136-K138 PolarHBondContact OD1-N 3.17Å; D136-K138 VanDerWaalsContact OD1-N 3.16Å; D136-H140 IonicContact OD1-CD2 3.66Å; D136-H140 PolarHBondContact OD1-CD2 2.96Å; D136-H140 IonicContact OD1-NE2 3.36Å; D136-H140 PolarHBondContact OD1-NE2 3.01Å; D136-H140 IonicContact OD2-CE1 2.81Å; D136-H140 IonicContact OD2-NE2 3.73Å; D136-H140 PolarHBondContact OD2-NE2 3.15Å |
| 137 | G | 89.7 | Confident | 93.5 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 69.7 | 3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H39 W51 G134 E135 | H39-G137 VanDerWaalsContact CD2-CA 3.42Å; H39-G137 WeakPolarHBondContact CD2-CA 3.48Å; H39-G137 VanDerWaalsContact CE1-CA 3.45Å; H39-G137 WeakPolarHBondContact CE1-CA 3.28Å; H39-G137 PolarHBondContact CE1-N 3.37Å; H39-G137 WeakPolarHBondContact NE2-CA 3.49Å; H39-G137 PolarHBondContact NE2-N 3.49Å; H39-G137 VanDerWaalsContact NE2-N 3.12Å; W51-G137 PolarHBondContact NE1-O 3.32Å; G134-G137 PolarHBondContact O-N 3.19Å; E135-G137 VanDerWaalsContact C-N 3.27Å; E135-G137 PolarHBondContact O-N 3.12Å |
| 138 | K | 90.9 | Very high | 93.7 | Very high | 106 Ų | 106 | 30.6 Ų | 30.6 | 46% | 0.461 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -96.7 | 164.3 | 175.3 | -66.3 | 177.1 | -176.7 | 178.7 | 0 | 109.3 | P46 Y47 V133 G134 D136 | P46-K138 HydrophobicContact CB-CG 4.4Å; P46-K138 HydrophobicContact CG-CG 4.39Å; Y47-K138 WeakPolarHBondContact OH-CB 3.28Å; V133-K138 CarbonylContact C-O 3.54Å; V133-K138 WeakPolarHBondContact CA-O 3.48Å; G134-K138 PolarHBondContact N-O 3.21Å; D136-K138 PolarHBondContact O-N 3.02Å; D136-K138 PolarHBondContact OD1-N 3.17Å; D136-K138 VanDerWaalsContact OD1-N 3.16Å |
| 139 | V | 93.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 137.4 | 170.8 | 175.8 | 0 | 0 | 0 | 0 | 109 | Y47 W51 Y131 E132 V214 L222 V230 | Y47-V139 HydrophobicContact CE2-CB 4.4Å; Y47-V139 HydrophobicContact CE2-CG2 3.87Å; Y47-V139 PolarHBondContact OH-N 3.5Å; W51-V139 HydrophobicContact CH2-CG2 3.82Å; W51-V139 HydrophobicContact CZ2-CG2 4.11Å; Y131-V139 HydrophobicContact CD1-CG1 4.1Å; Y131-V139 HydrophobicContact CG-CG1 4.49Å; E132-V139 CarbonylContact O-C 3.57Å; E132-V139 WeakPolarHBondContact O-CA 2.73Å; V139-V214 HydrophobicContact CB-CG2 4.07Å; V139-V214 HydrophobicContact CG1-CG2 4.02Å; V139-V214 VanDerWaalsContact O-CG2 3.28Å; V139-V214 WeakPolarHBondContact O-CG2 3Å; V139-L222 HydrophobicContact CB-CD1 4.3Å; V139-L222 HydrophobicContact CG2-CD1 3.94Å; V139-V230 HydrophobicContact CG1-CG1 4.44Å; V139-V230 HydrophobicContact CG1-CG2 3.91Å; V139-V230 HydrophobicContact CG2-CG1 4.3Å; V139-V230 HydrophobicContact CG2-CG2 3.77Å |
| 140 | H | 95.2 | Very high | 94 | Very high | 29 Ų | 29 | 31.3 Ų | 31.3 | 13% | 0.134 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 151.1 | 171.6 | -78.8 | -114.4 | 0 | 0 | 0 | 109.1 | Y131 E132 D136 K142 | Y131-H140 WeakPolarHBondContact CA-O 3.32Å; E132-H140 PolarHBondContact N-O 3.18Å; E132-H140 PolarHBondContact O-N 3Å; D136-H140 IonicContact OD1-CD2 3.66Å; D136-H140 PolarHBondContact OD1-CD2 2.96Å; D136-H140 IonicContact OD1-NE2 3.36Å; D136-H140 PolarHBondContact OD1-NE2 3.01Å; D136-H140 IonicContact OD2-CE1 2.81Å; D136-H140 IonicContact OD2-NE2 3.73Å; D136-H140 PolarHBondContact OD2-NE2 3.15Å; H140-K142 HydrophobicContact CB-CG 4.49Å |
| 141 | F | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 129.8 | 166.8 | 178.2 | -100.3 | 0 | 0 | 0 | 109.2 | F126 L127 A130 Y131 V143 L189 P190 I193 E211 A212 V214 | F126-F141 HydrophobicContact CE2-CE2 4.03Å; F126-F141 HydrophobicContact CE2-CZ 4.01Å; L127-F141 HydrophobicContact CD2-CE2 4.24Å; A130-F141 HydrophobicContact CB-CD2 3.95Å; A130-F141 HydrophobicContact CB-CE2 3.69Å; A130-F141 CarbonylContact O-C 3.58Å; A130-F141 VanDerWaalsContact O-CA 3.23Å; A130-F141 WeakPolarHBondContact O-CA 3.33Å; Y131-F141 HydrophobicContact CE1-CB 4.32Å; Y131-F141 HydrophobicContact CE1-CD2 4.02Å; F141-V143 HydrophobicContact CE1-CB 4.48Å; F141-V143 HydrophobicContact CE1-CG1 3.81Å; F141-V143 HydrophobicContact CE1-CG2 3.94Å; F141-V143 HydrophobicContact CE2-CG1 3.98Å; F141-V143 HydrophobicContact CZ-CB 4.47Å; F141-V143 HydrophobicContact CZ-CG1 3.4Å; F141-V143 HydrophobicContact CZ-CG2 4.28Å; F141-L189 HydrophobicContact CE1-CD2 3.9Å; F141-L189 HydrophobicContact CZ-CD2 4.19Å; F141-P190 HydrophobicContact CE2-CG 4.18Å; F141-I193 HydrophobicContact CB-CB 4.32Å; F141-I193 HydrophobicContact CB-CG2 3.65Å; F141-I193 HydrophobicContact CD1-CD1 3.98Å; F141-I193 HydrophobicContact CD1-CG2 4.2Å; F141-I193 HydrophobicContact CD2-CG2 3.74Å; F141-I193 HydrophobicContact CE1-CD1 4.1Å; F141-I193 HydrophobicContact CE2-CG2 4.38Å; F141-I193 HydrophobicContact CG-CB 4.47Å; F141-I193 HydrophobicContact CG-CD1 4.45Å; F141-I193 HydrophobicContact CG-CG2 3.61Å; F141-E211 CarbonylContact O-C 3.6Å; F141-E211 WeakPolarHBondContact O-CA 3.21Å; F141-A212 PolarHBondContact N-O 3.17Å; F141-A212 PolarHBondContact O-N 3.37Å; F141-V214 HydrophobicContact CB-CG1 4.11Å |
| 142 | K | 96.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 4% | 0.039 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 115.3 | -179.2 | -67.4 | -175.4 | 179.9 | 171.9 | 0 | 110.6 | A130 H140 M209 L210 E211 | A130-K142 WeakPolarHBondContact CA-O 3.37Å; A130-K142 PolarHBondContact O-N 3.43Å; H140-K142 HydrophobicContact CB-CG 4.49Å; K142-M209 HydrophobicContact CD-SD 4.29Å; K142-L210 WeakPolarHBondContact CA-O 2.89Å; K142-E211 WeakPolarHBondContact CE-OE2 3.22Å; K142-E211 HydrophobicContact CG-CB 3.98Å |
| 143 | V | 96.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 146.5 | 171.1 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | F78 F126 A130 F141 F145 M209 L210 | F78-V143 HydrophobicContact CE2-CB 4.32Å; F78-V143 HydrophobicContact CE2-CG1 4.44Å; F126-V143 HydrophobicContact CD2-CG1 3.65Å; F126-V143 HydrophobicContact CE2-CG1 3.87Å; A130-V143 HydrophobicContact CB-CG1 4.05Å; F141-V143 HydrophobicContact CE1-CB 4.48Å; F141-V143 HydrophobicContact CE1-CG1 3.81Å; F141-V143 HydrophobicContact CE1-CG2 3.94Å; F141-V143 HydrophobicContact CE2-CG1 3.98Å; F141-V143 HydrophobicContact CZ-CB 4.47Å; F141-V143 HydrophobicContact CZ-CG1 3.4Å; F141-V143 HydrophobicContact CZ-CG2 4.28Å; V143-F145 HydrophobicContact CG2-CE2 3.96Å; V143-F145 HydrophobicContact CG2-CZ 4.38Å; V143-M209 WeakPolarHBondContact O-CA 3.37Å; V143-L210 HydrophobicContact CG2-CB 3.81Å; V143-L210 PolarHBondContact N-O 3.36Å; V143-L210 PolarHBondContact O-N 2.82Å |
| 144 | R | 97.3 | Very high | 93.9 | Very high | 18 Ų | 18 | 43.6 Ų | 43.6 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.2 | -171.6 | -63.6 | 167.9 | -174.6 | 81.7 | -3.2 | 110.1 | F21 M77 F78 E132 V207 L208 M209 | F21-R144 VanDerWaalsContact CE2-NE 3.28Å; M77-R144 WeakPolarHBondContact CA-O 3.31Å; M77-R144 HydrophobicContact CG-CB 3.85Å; F78-R144 PolarHBondContact N-O 2.86Å; E132-R144 IonicContact OE1-CZ 3.04Å; E132-R144 IonicContact OE1-NH1 2.94Å; E132-R144 PolarHBondContact OE1-NH1 3.08Å; E132-R144 IonicContact OE1-NH2 2.77Å; E132-R144 PolarHBondContact OE1-NH2 3.03Å; E132-R144 IonicContact OE2-NH2 3.33Å; E132-R144 PolarHBondContact OE2-NH2 3.39Å; R144-V207 HydrophobicContact CB-CG1 4.09Å; R144-V207 HydrophobicContact CG-CG1 4.28Å; R144-L208 CarbonylContact C-O 3.6Å; R144-L208 WeakPolarHBondContact CA-O 3.3Å; R144-M209 HydrophobicContact CG-CB 4.45Å; R144-M209 HydrophobicContact CG-CE 4.13Å; R144-M209 HydrophobicContact CG-CG 4.24Å |
| 145 | F | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136.2 | 175.9 | -52.8 | -106.1 | 0 | 0 | 0 | 108.5 | F78 L80 V143 A147 V166 R185 V187 L208 L210 | F78-F145 HydrophobicContact CB-CD1 3.5Å; F78-F145 HydrophobicContact CB-CE1 3.88Å; F78-F145 HydrophobicContact CB-CG 4.15Å; F78-F145 HydrophobicContact CD2-CD1 4.22Å; F78-F145 AromaticContact CD2-CE1 3.88Å; F78-F145 HydrophobicContact CD2-CE1 3.88Å; F78-F145 HydrophobicContact CD2-CZ 4.06Å; F78-F145 HydrophobicContact CG-CD1 4.24Å; F78-F145 HydrophobicContact CG-CE1 4.14Å; F78-F145 CarbonylContact O-C 3.53Å; F78-F145 WeakPolarHBondContact O-CA 2.99Å; L80-F145 HydrophobicContact CD2-CB 4.49Å; L80-F145 HydrophobicContact CD2-CD1 4.09Å; V143-F145 HydrophobicContact CG2-CE2 3.96Å; V143-F145 HydrophobicContact CG2-CZ 4.38Å; F145-A147 PolarHBondContact O-N 3.16Å; F145-V166 HydrophobicContact CD1-CB 4.37Å; F145-V166 HydrophobicContact CD1-CG2 4.03Å; F145-V166 HydrophobicContact CD2-CG2 4.19Å; F145-V166 HydrophobicContact CE1-CB 4.28Å; F145-V166 HydrophobicContact CE1-CG2 3.7Å; F145-V166 HydrophobicContact CE2-CG2 3.9Å; F145-V166 HydrophobicContact CG-CG2 4.28Å; F145-V166 HydrophobicContact CZ-CG2 3.64Å; F145-R185 HydrophobicContact CD1-CB 4.06Å; F145-R185 HydrophobicContact CD1-CG 4.11Å; F145-R185 HydrophobicContact CE1-CB 3.92Å; F145-R185 HydrophobicContact CE1-CG 3.8Å; F145-V187 HydrophobicContact CE1-CG2 3.9Å; F145-V187 HydrophobicContact CZ-CG2 3.69Å; F145-L208 HydrophobicContact CB-CB 4.23Å; F145-L208 HydrophobicContact CB-CD2 4.49Å; F145-L208 HydrophobicContact CD2-CD2 4.31Å; F145-L208 PolarHBondContact N-O 2.77Å; F145-L208 PolarHBondContact O-N 3.41Å; F145-L210 HydrophobicContact CD2-CD1 4.07Å; F145-L210 HydrophobicContact CE2-CD1 3.35Å; F145-L210 HydrophobicContact CZ-CD1 4.06Å |
| 146 | D | 95.5 | Very high | 94.3 | Very high | 59 Ų | 59 | 42.1 Ų | 42.1 | 32% | 0.316 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 102.7 | 164.9 | -173.5 | -7.9 | 0 | 0 | 0 | 108 | M77 F78 Q148 | M77-D146 HydrophobicContact CB-CB 4.49Å; F78-D146 PolarHBondContact O-N 2.85Å; D146-Q148 VanDerWaalsContact OD1-CB 3.25Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.17Å; D146-Q148 PolarHBondContact OD1-N 3Å |
| 147 | A | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -112.9 | 26.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F145 G149 F150 I155 G206 L208 | F145-A147 PolarHBondContact O-N 3.16Å; A147-G149 PolarHBondContact O-N 3.33Å; A147-F150 HydrophobicContact CB-CD2 4.45Å; A147-F150 PolarHBondContact O-N 2.68Å; A147-I155 HydrophobicContact CB-CD1 3.86Å; A147-G206 CarbonylContact C-O 3.55Å; A147-G206 VanDerWaalsContact CA-O 3.28Å; A147-G206 WeakPolarHBondContact CA-O 3.37Å; A147-G206 WeakPolarHBondContact CB-O 3.33Å; A147-G206 PolarHBondContact N-O 2.78Å; A147-L208 HydrophobicContact CB-CB 4.03Å | ||
| 148 | Q | 93.5 | Very high | 95 | Very high | 142 Ų | 142 | 40.4 Ų | 40.4 | 66% | 0.664 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 130.8 | 177.7 | -168.6 | 179.8 | 13.1 | 0 | 0 | 110.8 | D146 G206 | D146-Q148 VanDerWaalsContact OD1-CB 3.25Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.17Å; D146-Q148 PolarHBondContact OD1-N 3Å; Q148-G206 PolarHBondContact N-O 3.29Å |
| 149 | G | 91.5 | Very high | 95.1 | Very high | 52 Ų | 52 | 35.9 Ų | 35.9 | 54% | 0.536 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 12.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A147 K170 | A147-G149 PolarHBondContact O-N 3.33Å; G149-K170 PolarHBondContact O-NZ 2.89Å |
| 150 | F | 93.7 | Very high | 94.9 | Very high | 26 Ų | 26 | 37 Ų | 37 | 11% | 0.114 | 21% | 0.206 | C | C | . | . | trans | -108.8 | 146.5 | 162.3 | -61.8 | -86.3 | 0 | 0 | 0 | 109.5 | L80 A147 I155 A168 K170 F183 M202 | L80-F150 HydrophobicContact CD1-CD2 4.3Å; L80-F150 HydrophobicContact CD1-CE2 4.04Å; L80-F150 HydrophobicContact CD1-CZ 4.43Å; A147-F150 HydrophobicContact CB-CD2 4.45Å; A147-F150 PolarHBondContact O-N 2.68Å; F150-I155 HydrophobicContact CB-CD1 3.95Å; F150-I155 HydrophobicContact CB-CG1 4.01Å; F150-A168 HydrophobicContact CD1-CB 3.63Å; F150-A168 HydrophobicContact CE1-CB 3.61Å; F150-A168 HydrophobicContact CG-CB 4.17Å; F150-A168 HydrophobicContact CZ-CB 4.17Å; F150-K170 HydrophobicContact CD1-CB 4.34Å; F150-K170 HydrophobicContact CE1-CB 3.83Å; F150-K170 HydrophobicContact CE1-CD 4.26Å; F150-F183 AromaticContact CE1-CD2 3.76Å; F150-F183 HydrophobicContact CE1-CD2 3.76Å; F150-F183 HydrophobicContact CE1-CE2 4.17Å; F150-F183 HydrophobicContact CE1-CG 4.43Å; F150-F183 HydrophobicContact CZ-CB 4.26Å; F150-F183 HydrophobicContact CZ-CD1 4.45Å; F150-F183 AromaticContact CZ-CD2 3.52Å; F150-F183 HydrophobicContact CZ-CD2 3.52Å; F150-F183 AromaticContact CZ-CE2 3.91Å; F150-F183 HydrophobicContact CZ-CE2 3.91Å; F150-F183 AromaticContact CZ-CG 3.84Å; F150-F183 HydrophobicContact CZ-CG 3.84Å; F150-M202 VanDerWaalsContact O-CE 3.24Å; F150-M202 WeakPolarHBondContact O-CE 3.39Å | ||
| 151 | A | 92.2 | Very high | 94.2 | Very high | 27 Ų | 27 | 40.8 Ų | 40.8 | 22% | 0.223 | 22% | 0.224 | C | C | . | . | trans | -88.9 | 154.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q153 D154 | A151-Q153 VanDerWaalsContact CB-CD 3.43Å; A151-Q153 HydrophobicContact CB-CG 4.5Å; A151-Q153 VanDerWaalsContact CB-NE2 3.25Å; A151-Q153 VanDerWaalsContact CB-OE1 3.32Å; A151-Q153 PolarHBondContact O-N 3.36Å; A151-Q153 VanDerWaalsContact O-N 3.14Å; A151-D154 WeakPolarHBondContact CB-OD2 3.35Å; A151-D154 PolarHBondContact N-OD2 2.77Å; A151-D154 WeakPolarHBondContact O-CB 3.39Å; A151-D154 PolarHBondContact O-N 2.8Å | ||
| 152 | P | 93.8 | Very high | 93.8 | Very high | 25 Ų | 25 | 43.5 Ų | 43.5 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -54 | -36.2 | -179.1 | -28.2 | 35.5 | 0 | 0 | 0 | 114.2 | V14 R16 D154 I155 M202 | V14-P152 HydrophobicContact CG1-CB 4.02Å; R16-P152 HydrophobicContact CB-CG 4.37Å; P152-D154 PolarHBondContact O-N 2.96Å; P152-I155 PolarHBondContact O-N 3.36Å; P152-M202 HydrophobicContact CB-SD 4.41Å; P152-M202 HydrophobicContact CG-CE 4.01Å; P152-M202 HydrophobicContact CG-SD 3.89Å |
| 153 | Q | 93.7 | Very high | 93.5 | Very high | 153 Ų | 153 | 46 Ų | 46 | 72% | 0.715 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -70.8 | -15.8 | 178.3 | 69.8 | -84.5 | 9.8 | 0 | 0 | 114.4 | A151 I155 | A151-Q153 VanDerWaalsContact CB-CD 3.43Å; A151-Q153 HydrophobicContact CB-CG 4.5Å; A151-Q153 VanDerWaalsContact CB-NE2 3.25Å; A151-Q153 VanDerWaalsContact CB-OE1 3.32Å; A151-Q153 PolarHBondContact O-N 3.36Å; A151-Q153 VanDerWaalsContact O-N 3.14Å; Q153-I155 VanDerWaalsContact C-N 3.31Å |
| 154 | D | 94.4 | Very high | 93.4 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -89.1 | -3.4 | 178.8 | -59.5 | -31 | 0 | 0 | 0 | 111.9 | A151 P152 A168 K169 | A151-D154 WeakPolarHBondContact CB-OD2 3.35Å; A151-D154 PolarHBondContact N-OD2 2.77Å; A151-D154 WeakPolarHBondContact O-CB 3.39Å; A151-D154 PolarHBondContact O-N 2.8Å; P152-D154 PolarHBondContact O-N 2.96Å; D154-A168 VanDerWaalsContact O-CA 3.27Å; D154-A168 WeakPolarHBondContact O-CA 3.49Å; D154-K169 WeakPolarHBondContact CB-O 3.38Å; D154-K169 PolarHBondContact O-N 3.46Å |
| 155 | I | 97 | Very high | 93.3 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.3 | -176.5 | -55.8 | 174.5 | 0 | 0 | 0 | 109.5 | V14 A147 F150 P152 Q153 V157 V166 H167 A168 M202 L208 | V14-I155 HydrophobicContact CG2-CB 4.44Å; V14-I155 HydrophobicContact CG2-CG2 4.26Å; A147-I155 HydrophobicContact CB-CD1 3.86Å; F150-I155 HydrophobicContact CB-CD1 3.95Å; F150-I155 HydrophobicContact CB-CG1 4.01Å; P152-I155 PolarHBondContact O-N 3.36Å; Q153-I155 VanDerWaalsContact C-N 3.31Å; I155-V157 HydrophobicContact CG2-CG2 3.98Å; I155-V166 HydrophobicContact CG2-CG1 3.86Å; I155-H167 CarbonylContact C-O 3.6Å; I155-H167 WeakPolarHBondContact CA-O 3.41Å; I155-A168 HydrophobicContact CG1-CB 4.07Å; I155-M202 HydrophobicContact CD1-SD 3.83Å; I155-L208 HydrophobicContact CD1-CD1 4.49Å; I155-L208 HydrophobicContact CG2-CD2 4.08Å |
| 156 | N | 96.7 | Very high | 93.2 | Very high | 78 Ų | 78 | 45.8 Ų | 45.8 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.3 | 170.3 | -175 | 13.5 | 0 | 0 | 0 | 109.9 | H167 | N156-H167 PolarHBondContact N-O 3.4Å; N156-H167 PolarHBondContact O-N 3.34Å |
| 157 | V | 97.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.6 | 177.5 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | S11 I12 V14 I155 V164 T165 V166 L208 L210 | S11-V157 WeakPolarHBondContact CA-O 3.36Å; I12-V157 HydrophobicContact CB-CB 4.35Å; I12-V157 HydrophobicContact CB-CG1 4.13Å; I12-V157 HydrophobicContact CD1-CG1 4.21Å; I12-V157 PolarHBondContact N-O 2.66Å; V14-V157 HydrophobicContact CG2-CG2 3.76Å; I155-V157 HydrophobicContact CG2-CG2 3.98Å; V157-V164 HydrophobicContact CG1-CG1 3.75Å; V157-T165 WeakPolarHBondContact CA-O 3.2Å; V157-V166 HydrophobicContact CG1-CG2 4.48Å; V157-V166 HydrophobicContact CG2-CG1 4.41Å; V157-V166 HydrophobicContact CG2-CG2 4.31Å; V157-L208 HydrophobicContact CG2-CD2 4.13Å; V157-L210 HydrophobicContact CG1-CD1 4.02Å; V157-L210 HydrophobicContact CG1-CD2 3.81Å; V157-L210 HydrophobicContact CG1-CG 4.31Å |
| 158 | T | 96.1 | Very high | 93.2 | Very high | 30 Ų | 30 | 45.4 Ų | 45.4 | 18% | 0.184 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143.7 | 178.7 | 61 | 0 | 0 | 0 | 0 | 111.5 | V10 V164 T165 | V10-T158 CarbonylContact O-C 3.58Å; V10-T158 VanDerWaalsContact O-CA 3.26Å; V10-T158 WeakPolarHBondContact O-CA 3.29Å; T158-V164 CarbonylContact O-C 3.54Å; T158-V164 VanDerWaalsContact O-CA 3.29Å; T158-V164 WeakPolarHBondContact O-CA 3.5Å; T158-T165 PolarHBondContact N-O 3.29Å; T158-T165 PolarHBondContact O-N 2.94Å |
| 159 | S | 93.5 | Very high | 93.2 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 8% | 0.077 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 133 | 172.5 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | A9 V10 R163 | A9-S159 CarbonylContact C-O 3.51Å; A9-S159 WeakPolarHBondContact CA-O 3.27Å; V10-S159 PolarHBondContact N-O 2.68Å; V10-S159 PolarHBondContact O-N 2.8Å; S159-R163 CarbonylContact C-O 3.46Å; S159-R163 WeakPolarHBondContact CA-O 3.24Å |
| 160 | S | 89.2 | Confident | 93.2 | Very high | 26 Ų | 26 | 43.8 Ų | 43.8 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 134.9 | 174.7 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | N162 R163 | S160-N162 PolarHBondContact O-N 2.72Å; S160-R163 PolarHBondContact N-O 2.91Å; S160-R163 PolarHBondContact O-N 2.99Å |
| 161 | E | 81.2 | Confident | 93 | Very high | 109 Ų | 109 | 48.3 Ų | 48.3 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | -62.7 | 177.4 | -70.3 | 174.5 | -174.8 | 0 | 0 | 116 | H7 | H7-E161 HydrophobicContact CB-CG 3.76Å; H7-E161 VanDerWaalsContact CB-OE1 3.25Å; H7-E161 WeakPolarHBondContact CB-OE1 3.47Å; H7-E161 IonicContact CD2-OE1 3.64Å; H7-E161 PolarHBondContact CD2-OE1 2.76Å; H7-E161 IonicContact CG-OE1 3.69Å; H7-E161 WeakPolarHBondContact ND1-CG 3.48Å; H7-E161 IonicContact ND1-OE1 3.84Å; H7-E161 IonicContact NE2-OE1 3.19Å |
| 162 | N | 86.7 | Confident | 92.7 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 31% | 0.305 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -163.1 | 32.8 | 176.7 | -69.6 | -56.7 | 0 | 0 | 0 | 110 | S160 Q188 L189 | S160-N162 PolarHBondContact O-N 2.72Å; N162-Q188 VanDerWaalsContact CB-NE2 3.26Å; N162-Q188 VanDerWaalsContact O-CD 3.23Å; N162-Q188 PolarHBondContact O-NE2 3.21Å; N162-L189 WeakPolarHBondContact O-CB 3.5Å; N162-L189 PolarHBondContact O-N 2.65Å |
| 163 | R | 91.2 | Very high | 92.6 | Very high | 60 Ų | 60 | 52.9 Ų | 52.9 | 23% | 0.226 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 143.2 | -174 | 163.7 | 175.4 | 42 | -132.4 | -12.2 | 110.8 | F95 S159 S160 M186 V187 | F95-R163 HydrophobicContact CZ-CG 4.23Å; S159-R163 CarbonylContact C-O 3.46Å; S159-R163 WeakPolarHBondContact CA-O 3.24Å; S160-R163 PolarHBondContact N-O 2.91Å; S160-R163 PolarHBondContact O-N 2.99Å; R163-M186 HydrophobicContact CG-CB 4.42Å; R163-V187 CarbonylContact C-O 3.58Å; R163-V187 VanDerWaalsContact CA-O 3.28Å; R163-V187 WeakPolarHBondContact CA-O 3.49Å |
| 164 | V | 94.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 137.9 | 164 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | V157 T158 V166 M186 V187 L189 L198 L210 | V157-V164 HydrophobicContact CG1-CG1 3.75Å; T158-V164 CarbonylContact O-C 3.54Å; T158-V164 VanDerWaalsContact O-CA 3.29Å; T158-V164 WeakPolarHBondContact O-CA 3.5Å; V164-V166 HydrophobicContact CG1-CG2 4.26Å; V164-M186 CarbonylContact O-C 3.55Å; V164-M186 VanDerWaalsContact O-CA 3.3Å; V164-M186 WeakPolarHBondContact O-CA 3.43Å; V164-V187 PolarHBondContact N-O 3.03Å; V164-V187 PolarHBondContact O-N 3.1Å; V164-L189 HydrophobicContact CG2-CD1 3.81Å; V164-L189 HydrophobicContact CG2-CD2 3.69Å; V164-L189 HydrophobicContact CG2-CG 4.01Å; V164-L198 HydrophobicContact CG2-CD1 3.89Å; V164-L210 HydrophobicContact CG1-CD1 3.85Å; V164-L210 HydrophobicContact CG1-CD2 3.88Å; V164-L210 HydrophobicContact CG2-CD2 4.16Å |
| 165 | T | 94.1 | Very high | 92.3 | Very high | 21 Ų | 21 | 54 Ų | 54 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.1 | 169.1 | -53.8 | 0 | 0 | 0 | 0 | 109 | V157 T158 M186 | V157-T165 WeakPolarHBondContact CA-O 3.2Å; T158-T165 PolarHBondContact N-O 3.29Å; T158-T165 PolarHBondContact O-N 2.94Å; T165-M186 HydrophobicContact CG2-CE 4.01Å; T165-M186 HydrophobicContact CG2-CG 3.99Å |
| 166 | V | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 110.7 | 169.9 | -177.6 | 0 | 0 | 0 | 0 | 107.3 | L80 F145 I155 V157 V164 C184 R185 L208 L210 | L80-V166 HydrophobicContact CD1-CG1 4.36Å; L80-V166 HydrophobicContact CD2-CB 4.02Å; L80-V166 HydrophobicContact CD2-CG1 3.64Å; F145-V166 HydrophobicContact CD1-CB 4.37Å; F145-V166 HydrophobicContact CD1-CG2 4.03Å; F145-V166 HydrophobicContact CD2-CG2 4.19Å; F145-V166 HydrophobicContact CE1-CB 4.28Å; F145-V166 HydrophobicContact CE1-CG2 3.7Å; F145-V166 HydrophobicContact CE2-CG2 3.9Å; F145-V166 HydrophobicContact CG-CG2 4.28Å; F145-V166 HydrophobicContact CZ-CG2 3.64Å; I155-V166 HydrophobicContact CG2-CG1 3.86Å; V157-V166 HydrophobicContact CG1-CG2 4.48Å; V157-V166 HydrophobicContact CG2-CG1 4.41Å; V157-V166 HydrophobicContact CG2-CG2 4.31Å; V164-V166 HydrophobicContact CG1-CG2 4.26Å; V166-C184 CarbonylContact O-C 3.52Å; V166-C184 VanDerWaalsContact O-CA 3.26Å; V166-C184 WeakPolarHBondContact O-CA 3.41Å; V166-R185 PolarHBondContact N-O 2.86Å; V166-R185 PolarHBondContact O-N 3.19Å; V166-L208 HydrophobicContact CG1-CD2 3.58Å; V166-L208 HydrophobicContact CG2-CD2 4.16Å; V166-L210 HydrophobicContact CG2-CD1 3.95Å |
| 167 | H | 95 | Very high | 91.6 | Very high | 52 Ų | 52 | 62.9 Ų | 62.9 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.6 | 176.3 | 177.2 | -96.4 | 0 | 0 | 0 | 109.1 | I155 N156 E182 F183 | I155-H167 CarbonylContact C-O 3.6Å; I155-H167 WeakPolarHBondContact CA-O 3.41Å; N156-H167 PolarHBondContact N-O 3.4Å; N156-H167 PolarHBondContact O-N 3.34Å; H167-E182 IonicContact CD2-OE2 3.11Å; H167-E182 IonicContact CE1-OE2 3.19Å; H167-E182 PolarHBondContact CE1-OE2 3.26Å; H167-E182 IonicContact NE2-OE2 3.79Å; H167-E182 PolarHBondContact NE2-OE2 2.81Å; H167-F183 CarbonylContact C-O 3.51Å; H167-F183 WeakPolarHBondContact CA-O 3.42Å |
| 168 | A | 96 | Very high | 91.2 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L80 F150 D154 I155 E182 F183 | L80-A168 HydrophobicContact CD1-CB 3.68Å; F150-A168 HydrophobicContact CD1-CB 3.63Å; F150-A168 HydrophobicContact CE1-CB 3.61Å; F150-A168 HydrophobicContact CG-CB 4.17Å; F150-A168 HydrophobicContact CZ-CB 4.17Å; D154-A168 VanDerWaalsContact O-CA 3.27Å; D154-A168 WeakPolarHBondContact O-CA 3.49Å; I155-A168 HydrophobicContact CG1-CB 4.07Å; A168-E182 CarbonylContact O-C 3.56Å; A168-E182 WeakPolarHBondContact O-CA 3.38Å; A168-F183 PolarHBondContact N-O 3.48Å; A168-F183 PolarHBondContact O-N 3.1Å |
| 169 | K | 93.4 | Very high | 90.8 | Very high | 82 Ų | 82 | 71.8 Ų | 71.8 | 36% | 0.357 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127.4 | 176.9 | -174.1 | -174.3 | -174.8 | -156.4 | 0 | 109.8 | D154 E171 S180 E182 | D154-K169 WeakPolarHBondContact CB-O 3.38Å; D154-K169 PolarHBondContact O-N 3.46Å; K169-E171 WeakPolarHBondContact CE-OE1 3.33Å; K169-E171 IonicContact NZ-OE1 2.73Å; K169-E171 PolarHBondContact NZ-OE1 3.13Å; K169-S180 WeakPolarHBondContact CE-OG 3.3Å; K169-E182 HydrophobicContact CB-CG 4.46Å; K169-E182 HydrophobicContact CG-CG 4.18Å |
| 170 | K | 91.1 | Very high | 90.6 | Very high | 78 Ų | 78 | 74.1 Ų | 74.1 | 34% | 0.339 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117.1 | 177.4 | -170.2 | 165.1 | -174.5 | 152.2 | 0 | 110.7 | G149 F150 T172 S180 R181 F183 | G149-K170 PolarHBondContact O-NZ 2.89Å; F150-K170 HydrophobicContact CD1-CB 4.34Å; F150-K170 HydrophobicContact CE1-CB 3.83Å; F150-K170 HydrophobicContact CE1-CD 4.26Å; K170-T172 HydrophobicContact CG-CG2 4.27Å; K170-S180 WeakPolarHBondContact O-CA 3.16Å; K170-R181 PolarHBondContact N-O 3.25Å; K170-R181 PolarHBondContact O-N 2.85Å; K170-F183 HydrophobicContact CB-CE2 4.26Å |
| 171 | E | 90.2 | Very high | 90.6 | Very high | 121 Ų | 121 | 79.8 Ų | 79.8 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.5 | 171 | -65.3 | -173.2 | -175.4 | 0 | 0 | 109.8 | K169 C179 | K169-E171 WeakPolarHBondContact CE-OE1 3.33Å; K169-E171 IonicContact NZ-OE1 2.73Å; K169-E171 PolarHBondContact NZ-OE1 3.13Å; E171-C179 CarbonylContact C-O 3.56Å; E171-C179 WeakPolarHBondContact CA-O 3.31Å |
| 172 | T | 86.4 | Confident | 91.1 | Very high | 54 Ų | 54 | 78.4 Ų | 78.4 | 33% | 0.331 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.7 | 175.6 | 51 | 0 | 0 | 0 | 0 | 109 | K170 K178 C179 | K170-T172 HydrophobicContact CG-CG2 4.27Å; T172-K178 CarbonylContact O-C 3.2Å; T172-K178 WeakPolarHBondContact O-CA 3.12Å; T172-C179 PolarHBondContact N-O 3.34Å; T172-C179 PolarHBondContact O-N 2.93Å; T172-C179 PolarHBondContact OG1-O 3.14Å |
| 173 | T | 90.5 | Very high | 91.4 | Very high | 94 Ų | 94 | 77.5 Ų | 77.5 | 58% | 0.577 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 115.8 | 174.8 | -56.9 | 0 | 0 | 0 | 0 | 108.7 | R177 K178 | T173-R177 WeakPolarHBondContact CA-O 3.25Å; T173-K178 HydrophobicContact CG2-CG 4.5Å |
| 174 | T | 89.3 | Confident | 91.4 | Very high | 89 Ų | 89 | 74.9 Ų | 74.9 | 55% | 0.546 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.7 | 177.4 | -52.6 | 0 | 0 | 0 | 0 | 108.2 | G176 R177 | T174-G176 PolarHBondContact O-N 2.83Å; T174-R177 PolarHBondContact N-O 2.73Å; T174-R177 WeakPolarHBondContact O-CB 3.42Å; T174-R177 PolarHBondContact O-N 3.1Å |
| 175 | D | 92 | Very high | 91.4 | Very high | 157 Ų | 157 | 74.8 Ų | 74.8 | 84% | 0.84 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38.9 | -178.9 | -54.3 | -30.8 | 0 | 0 | 0 | 114.3 | R177 | D175-R177 PolarHBondContact O-N 3Š|
| 176 | G | 90.6 | Very high | 91.3 | Very high | 72 Ų | 72 | 75.5 Ų | 75.5 | 74% | 0.742 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | -3.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T174 | T174-G176 PolarHBondContact O-N 2.83Š|
| 177 | R | 88.7 | Confident | 91 | Very high | 204 Ų | 204 | 75.5 Ų | 75.5 | 77% | 0.77 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 124.9 | 173.9 | -60.8 | -177.5 | -171.8 | 169.2 | 4.1 | 109.9 | T173 T174 D175 | T173-R177 WeakPolarHBondContact CA-O 3.25Å; T174-R177 PolarHBondContact N-O 2.73Å; T174-R177 WeakPolarHBondContact O-CB 3.42Å; T174-R177 PolarHBondContact O-N 3.1Å; D175-R177 PolarHBondContact O-N 3Å |
| 178 | K | 89.2 | Confident | 90.8 | Very high | 164 Ų | 164 | 76.5 Ų | 76.5 | 71% | 0.713 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 126.1 | 170.8 | -65.3 | -173.5 | 176.4 | -172.5 | 0 | 109.6 | T172 T173 | T172-K178 CarbonylContact O-C 3.2Å; T172-K178 WeakPolarHBondContact O-CA 3.12Å; T173-K178 HydrophobicContact CG2-CG 4.5Å |
| 179 | C | 87.5 | Confident | 90.6 | Very high | 54 Ų | 54 | 76.8 Ų | 76.8 | 37% | 0.365 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.1 | 171.6 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | E171 T172 | E171-C179 CarbonylContact C-O 3.56Å; E171-C179 WeakPolarHBondContact CA-O 3.31Å; T172-C179 PolarHBondContact N-O 3.34Å; T172-C179 PolarHBondContact O-N 2.93Å; T172-C179 PolarHBondContact OG1-O 3.14Å |
| 180 | S | 89.3 | Confident | 90.4 | Very high | 61 Ų | 61 | 73.3 Ų | 73.3 | 43% | 0.427 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128 | 171.2 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | K169 K170 | K169-S180 WeakPolarHBondContact CE-OG 3.3Å; K170-S180 WeakPolarHBondContact O-CA 3.16Å |
| 181 | R | 90.1 | Very high | 90.3 | Very high | 144 Ų | 144 | 76.1 Ų | 76.1 | 54% | 0.543 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 142 | 170.9 | -66.5 | -176.7 | -176.2 | 170.6 | -0.8 | 109.1 | K170 F183 | K170-R181 PolarHBondContact N-O 3.25Å; K170-R181 PolarHBondContact O-N 2.85Å; R181-F183 HydrophobicContact CB-CE2 3.76Å; R181-F183 HydrophobicContact CB-CZ 4.25Å |
| 182 | E | 91.5 | Very high | 90.3 | Very high | 80 Ų | 80 | 71 Ų | 71 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 147.8 | 177.1 | -62.2 | -176.8 | -162.6 | 0 | 0 | 109.9 | L83 H167 A168 K169 | L83-E182 HydrophobicContact CB-CB 4.06Å; L83-E182 HydrophobicContact CD1-CB 3.85Å; L83-E182 HydrophobicContact CG-CB 4.37Å; L83-E182 PolarHBondContact N-O 3.19Å; H167-E182 IonicContact CD2-OE2 3.11Å; H167-E182 IonicContact CE1-OE2 3.19Å; H167-E182 PolarHBondContact CE1-OE2 3.26Å; H167-E182 IonicContact NE2-OE2 3.79Å; H167-E182 PolarHBondContact NE2-OE2 2.81Å; A168-E182 CarbonylContact O-C 3.56Å; A168-E182 WeakPolarHBondContact O-CA 3.38Å; K169-E182 HydrophobicContact CB-CG 4.46Å; K169-E182 HydrophobicContact CG-CG 4.18Å |
| 183 | F | 92.8 | Very high | 90.6 | Very high | 39 Ų | 39 | 68.5 Ų | 68.5 | 17% | 0.171 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 147.2 | -178.7 | -59.6 | -103.6 | 0 | 0 | 0 | 109.3 | L80 L81 P82 F150 H167 A168 K170 R181 | L80-F183 HydrophobicContact CB-CB 3.7Å; L81-F183 CarbonylContact O-C 3.58Å; L81-F183 WeakPolarHBondContact O-CA 3.43Å; P82-F183 HydrophobicContact CB-CD1 3.95Å; P82-F183 HydrophobicContact CB-CE1 3.84Å; F150-F183 AromaticContact CE1-CD2 3.76Å; F150-F183 HydrophobicContact CE1-CD2 3.76Å; F150-F183 HydrophobicContact CE1-CE2 4.17Å; F150-F183 HydrophobicContact CE1-CG 4.43Å; F150-F183 HydrophobicContact CZ-CB 4.26Å; F150-F183 HydrophobicContact CZ-CD1 4.45Å; F150-F183 AromaticContact CZ-CD2 3.52Å; F150-F183 HydrophobicContact CZ-CD2 3.52Å; F150-F183 AromaticContact CZ-CE2 3.91Å; F150-F183 HydrophobicContact CZ-CE2 3.91Å; F150-F183 AromaticContact CZ-CG 3.84Å; F150-F183 HydrophobicContact CZ-CG 3.84Å; H167-F183 CarbonylContact C-O 3.51Å; H167-F183 WeakPolarHBondContact CA-O 3.42Å; A168-F183 PolarHBondContact N-O 3.48Å; A168-F183 PolarHBondContact O-N 3.1Å; K170-F183 HydrophobicContact CB-CE2 4.26Å; R181-F183 HydrophobicContact CB-CE2 3.76Å; R181-F183 HydrophobicContact CB-CZ 4.25Å |
| 184 | C | 92.2 | Very high | 90.7 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.034 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 144.9 | -177 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | L81 L83 V166 | L81-C184 PolarHBondContact N-O 3.49Å; L81-C184 PolarHBondContact O-N 2.93Å; L83-C184 HydrophobicContact CD1-CB 3.99Å; L83-C184 HydrophobicContact CD2-CB 3.42Å; L83-C184 VanDerWaalsContact CD2-CB 3.42Å; L83-C184 HydrophobicContact CG-CB 3.64Å; V166-C184 CarbonylContact O-C 3.52Å; V166-C184 VanDerWaalsContact O-CA 3.26Å; V166-C184 WeakPolarHBondContact O-CA 3.41Å |
| 185 | R | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 139.3 | 162.7 | -167.3 | 72.5 | 168.6 | -175.2 | 1.8 | 109.5 | F78 A79 L80 D102 G121 F145 V166 | F78-R185 HydrophobicContact CB-CG 4.02Å; F78-R185 HydrophobicContact CD1-CG 4.46Å; F78-R185 HydrophobicContact CG-CG 4.32Å; A79-R185 WeakPolarHBondContact O-CD 3.39Å; L80-R185 HydrophobicContact CD2-CB 3.84Å; D102-R185 IonicContact OD1-CZ 3.72Å; D102-R185 VanDerWaalsContact OD1-CZ 3.26Å; D102-R185 IonicContact OD1-NH1 3.33Å; D102-R185 PolarHBondContact OD1-NH1 3.4Å; D102-R185 IonicContact OD1-NH2 2.92Å; D102-R185 PolarHBondContact OD1-NH2 3.16Å; D102-R185 IonicContact OD2-CZ 2.96Å; D102-R185 IonicContact OD2-NH1 2.8Å; D102-R185 IonicContact OD2-NH2 2.8Å; D102-R185 PolarHBondContact OD2-NH2 3.03Å; G121-R185 PolarHBondContact O-NH2 2.96Å; F145-R185 HydrophobicContact CD1-CB 4.06Å; F145-R185 HydrophobicContact CD1-CG 4.11Å; F145-R185 HydrophobicContact CE1-CB 3.92Å; F145-R185 HydrophobicContact CE1-CG 3.8Å; V166-R185 PolarHBondContact N-O 2.86Å; V166-R185 PolarHBondContact O-N 3.19Å |
| 186 | M | 92 | Very high | 90.8 | Very high | 35 Ų | 35 | 61.3 Ų | 61.3 | 17% | 0.172 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 140.3 | 175.6 | -68.4 | 174.5 | -170.6 | 0 | 0 | 109.4 | P94 F95 M98 R163 V164 T165 | P94-M186 HydrophobicContact CB-CE 4.39Å; P94-M186 HydrophobicContact CB-SD 3.62Å; P94-M186 HydrophobicContact CG-SD 3.87Å; F95-M186 HydrophobicContact CE1-CB 3.98Å; F95-M186 HydrophobicContact CZ-CB 4.34Å; M98-M186 HydrophobicContact CE-CB 3.73Å; M98-M186 HydrophobicContact CE-CG 3.71Å; M98-M186 VanDerWaalsContact CE-N 3.33Å; M98-M186 HydrophobicContact CE-SD 4.14Å; M98-M186 HydrophobicContact SD-CB 3.86Å; M98-M186 PolarHBondContact SD-N 3.23Å; R163-M186 HydrophobicContact CG-CB 4.42Å; V164-M186 CarbonylContact O-C 3.55Å; V164-M186 VanDerWaalsContact O-CA 3.3Å; V164-M186 WeakPolarHBondContact O-CA 3.43Å; T165-M186 HydrophobicContact CG2-CE 4.01Å; T165-M186 HydrophobicContact CG2-CG 3.99Å |
| 187 | V | 91.1 | Very high | 91 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 127.9 | 176.6 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | F78 F126 F145 R163 V164 | F78-V187 HydrophobicContact CD2-CG2 3.86Å; F78-V187 HydrophobicContact CE1-CG2 4.5Å; F78-V187 HydrophobicContact CE2-CG1 4.32Å; F78-V187 HydrophobicContact CE2-CG2 3.49Å; F78-V187 VanDerWaalsContact CE2-CG2 3.49Å; F78-V187 HydrophobicContact CG-CG2 4.5Å; F78-V187 HydrophobicContact CZ-CG1 4.46Å; F78-V187 HydrophobicContact CZ-CG2 3.83Å; F126-V187 HydrophobicContact CD2-CG1 4.39Å; F126-V187 HydrophobicContact CE1-CG1 4.15Å; F126-V187 HydrophobicContact CE2-CG1 3.72Å; F126-V187 HydrophobicContact CZ-CG1 3.58Å; F145-V187 HydrophobicContact CE1-CG2 3.9Å; F145-V187 HydrophobicContact CZ-CG2 3.69Å; R163-V187 CarbonylContact C-O 3.58Å; R163-V187 VanDerWaalsContact CA-O 3.28Å; R163-V187 WeakPolarHBondContact CA-O 3.49Å; V164-V187 PolarHBondContact N-O 3.03Å; V164-V187 PolarHBondContact O-N 3.1Å |
| 188 | Q | 89.7 | Confident | 91.3 | Very high | 72 Ų | 72 | 53.7 Ų | 53.7 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 127.7 | 170.6 | -169.8 | 68.1 | 28.1 | 0 | 0 | 108.6 | F95 F126 N162 | F95-Q188 HydrophobicContact CE1-CB 4.22Å; F95-Q188 HydrophobicContact CZ-CB 3.87Å; F126-Q188 WeakPolarHBondContact CZ-O 3.48Å; N162-Q188 VanDerWaalsContact CB-NE2 3.26Å; N162-Q188 VanDerWaalsContact O-CD 3.23Å; N162-Q188 PolarHBondContact O-NE2 3.21Å |
| 189 | L | 91.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 132 | 178.6 | -61.7 | 171.1 | 0 | 0 | 0 | 110.1 | F141 N162 V164 I193 D195 L198 | F141-L189 HydrophobicContact CE1-CD2 3.9Å; F141-L189 HydrophobicContact CZ-CD2 4.19Å; N162-L189 WeakPolarHBondContact O-CB 3.5Å; N162-L189 PolarHBondContact O-N 2.65Å; V164-L189 HydrophobicContact CG2-CD1 3.81Å; V164-L189 HydrophobicContact CG2-CD2 3.69Å; V164-L189 HydrophobicContact CG2-CG 4.01Å; L189-I193 HydrophobicContact CB-CD1 3.69Å; L189-I193 HydrophobicContact CB-CG1 4.39Å; L189-I193 HydrophobicContact CD1-CD1 4.01Å; L189-I193 HydrophobicContact CD2-CD1 3.45Å; L189-I193 VanDerWaalsContact CD2-CD1 3.45Å; L189-I193 HydrophobicContact CG-CD1 3.88Å; L189-D195 HydrophobicContact CD1-CB 4.12Å; L189-L198 HydrophobicContact CD1-CD1 3.83Å |
| 190 | P | 90.3 | Very high | 92.2 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 151 | 171.3 | -21.4 | 34.6 | 0 | 0 | 0 | 112.1 | L127 Y131 F141 S192 I193 D327 | L127-P190 HydrophobicContact CD1-CG 4.4Å; L127-P190 HydrophobicContact CD2-CG 3.33Å; Y131-P190 WeakPolarHBondContact OH-CB 3.35Å; Y131-P190 VanDerWaalsContact OH-CG 3.31Å; Y131-P190 WeakPolarHBondContact OH-CG 3.41Å; F141-P190 HydrophobicContact CE2-CG 4.18Å; P190-S192 PolarHBondContact O-N 2.83Å; P190-I193 HydrophobicContact CB-CG2 4.39Å; P190-I193 WeakPolarHBondContact O-CG1 3.23Å; P190-I193 PolarHBondContact O-N 3.42Å; P190-D327 HydrophobicContact CB-CB 4.21Å; P190-D327 VanDerWaalsContact CB-OD2 3.26Å; P190-D327 WeakPolarHBondContact CB-OD2 3.26Å |
| 191 | K | 89.1 | Confident | 92.6 | Very high | 136 Ų | 136 | 47.3 Ų | 47.3 | 59% | 0.591 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20.4 | 177.6 | -66.8 | 176.5 | -176.5 | 167.5 | 0 | 113.3 | I193 | K191-I193 PolarHBondContact O-N 3.34Š|
| 192 | S | 90.2 | Very high | 93 | Very high | 13 Ų | 13 | 41 Ų | 41 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -5.5 | 178 | 60.9 | 0 | 0 | 0 | 0 | 114.2 | Y131 P190 V214 K215 D327 | Y131-S192 PolarHBondContact OH-OG 2.97Å; P190-S192 PolarHBondContact O-N 2.83Å; S192-V214 CarbonylContact O-C 3.54Å; S192-V214 WeakPolarHBondContact O-CA 3.38Å; S192-K215 WeakPolarHBondContact O-CB 3.4Å; S192-K215 PolarHBondContact O-N 2.96Å; S192-D327 WeakPolarHBondContact CB-OD2 3.47Å; S192-D327 VanDerWaalsContact OG-CG 3.29Å; S192-D327 PolarHBondContact OG-OD1 3.15Å; S192-D327 PolarHBondContact OG-OD2 2.73Å |
| 193 | I | 92.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -96.4 | 148 | 179.2 | 84.2 | 174.3 | 0 | 0 | 0 | 111.2 | Y131 F141 L189 P190 K191 D195 K215 | Y131-I193 HydrophobicContact CE1-CG2 4.46Å; F141-I193 HydrophobicContact CB-CB 4.32Å; F141-I193 HydrophobicContact CB-CG2 3.65Å; F141-I193 HydrophobicContact CD1-CD1 3.98Å; F141-I193 HydrophobicContact CD1-CG2 4.2Å; F141-I193 HydrophobicContact CD2-CG2 3.74Å; F141-I193 HydrophobicContact CE1-CD1 4.1Å; F141-I193 HydrophobicContact CE2-CG2 4.38Å; F141-I193 HydrophobicContact CG-CB 4.47Å; F141-I193 HydrophobicContact CG-CD1 4.45Å; F141-I193 HydrophobicContact CG-CG2 3.61Å; L189-I193 HydrophobicContact CB-CD1 3.69Å; L189-I193 HydrophobicContact CB-CG1 4.39Å; L189-I193 HydrophobicContact CD1-CD1 4.01Å; L189-I193 HydrophobicContact CD2-CD1 3.45Å; L189-I193 VanDerWaalsContact CD2-CD1 3.45Å; L189-I193 HydrophobicContact CG-CD1 3.88Å; P190-I193 HydrophobicContact CB-CG2 4.39Å; P190-I193 WeakPolarHBondContact O-CG1 3.23Å; P190-I193 PolarHBondContact O-N 3.42Å; K191-I193 PolarHBondContact O-N 3.34Å; I193-D195 HydrophobicContact CD1-CB 4.42Å; I193-D195 HydrophobicContact CG1-CB 4.22Å; I193-D195 PolarHBondContact O-N 3.32Å; I193-K215 WeakPolarHBondContact O-CD 3.48Å; I193-K215 VanDerWaalsContact O-CE 3.23Å; I193-K215 WeakPolarHBondContact O-CE 3.45Å; I193-K215 PolarHBondContact O-NZ 2.88Å |
| 194 | D | 92.3 | Very high | 93.4 | Very high | 41 Ų | 41 | 39.2 Ų | 39.2 | 22% | 0.219 | 20% | 0.199 | C | C | . | . | trans | -85.6 | 83.8 | 165 | -170.6 | 1.5 | 0 | 0 | 0 | 110 | S196 Q197 P213 K215 | D194-S196 PolarHBondContact O-N 3.32Å; D194-S196 WeakPolarHBondContact OD1-CB 3.43Å; D194-S196 PolarHBondContact OD1-N 3.44Å; D194-S196 PolarHBondContact OD1-OG 2.88Å; D194-Q197 HydrophobicContact CB-CG 4.47Å; D194-Q197 PolarHBondContact O-N 2.82Å; D194-Q197 WeakPolarHBondContact OD2-CG 3.44Å; D194-P213 HydrophobicContact CB-CG 4.15Å; D194-P213 PolarHBondContact N-O 3.47Å; D194-K215 HydrophobicContact CB-CG 4.33Å | ||
| 195 | D | 91 | Very high | 93.6 | Very high | 54 Ų | 54 | 41.4 Ų | 41.4 | 29% | 0.289 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -60.5 | -21.8 | -179.1 | 62.8 | -32.7 | 0 | 0 | 0 | 113.5 | L189 I193 Q197 L198 K215 | L189-D195 HydrophobicContact CD1-CB 4.12Å; I193-D195 HydrophobicContact CD1-CB 4.42Å; I193-D195 HydrophobicContact CG1-CB 4.22Å; I193-D195 PolarHBondContact O-N 3.32Å; D195-Q197 PolarHBondContact O-N 3.13Å; D195-L198 HydrophobicContact CB-CD1 4.11Å; D195-L198 WeakPolarHBondContact O-CD1 3.42Å; D195-L198 WeakPolarHBondContact O-CG 3.43Å; D195-L198 PolarHBondContact O-N 2.98Å; D195-K215 IonicContact OD1-NZ 3.45Å |
| 196 | S | 91.8 | Very high | 93.8 | Very high | 95 Ų | 95 | 41.7 Ų | 41.7 | 66% | 0.664 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -68 | -19.8 | 173.7 | 79.1 | 0 | 0 | 0 | 0 | 113.5 | D194 | D194-S196 PolarHBondContact O-N 3.32Å; D194-S196 WeakPolarHBondContact OD1-CB 3.43Å; D194-S196 PolarHBondContact OD1-N 3.44Å; D194-S196 PolarHBondContact OD1-OG 2.88Å |
| 197 | Q | 94.4 | Very high | 94.1 | Very high | 98 Ų | 98 | 40.2 Ų | 40.2 | 46% | 0.458 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -105 | 13.2 | -178.9 | -66.7 | -81.2 | -4 | 0 | 0 | 112.4 | D194 D195 K199 P213 | D194-Q197 HydrophobicContact CB-CG 4.47Å; D194-Q197 PolarHBondContact O-N 2.82Å; D194-Q197 WeakPolarHBondContact OD2-CG 3.44Å; D195-Q197 PolarHBondContact O-N 3.13Å; Q197-K199 PolarHBondContact O-N 3.38Å; Q197-P213 HydrophobicContact CB-CG 3.79Å; Q197-P213 HydrophobicContact CG-CG 4.15Å |
| 198 | L | 96.3 | Very high | 94.4 | Very high | 18 Ų | 18 | 40.1 Ų | 40.1 | 9% | 0.094 | 21% | 0.205 | C | C | . | . | trans | -58.5 | 125.8 | 178.6 | -83.7 | 165.3 | 0 | 0 | 0 | 111.4 | I12 V164 L189 D195 L210 E211 A212 | I12-L198 HydrophobicContact CD1-CB 3.71Å; I12-L198 HydrophobicContact CD1-CD1 4.09Å; I12-L198 HydrophobicContact CD1-CG 4.49Å; V164-L198 HydrophobicContact CG2-CD1 3.89Å; L189-L198 HydrophobicContact CD1-CD1 3.83Å; D195-L198 HydrophobicContact CB-CD1 4.11Å; D195-L198 WeakPolarHBondContact O-CD1 3.42Å; D195-L198 WeakPolarHBondContact O-CG 3.43Å; D195-L198 PolarHBondContact O-N 2.98Å; L198-L210 HydrophobicContact CD2-CD2 4.17Å; L198-E211 CarbonylContact C-O 3.52Å; L198-E211 WeakPolarHBondContact CA-O 3.37Å; L198-A212 HydrophobicContact CD2-CB 3.78Å; L198-A212 HydrophobicContact CG-CB 4.09Å | ||
| 199 | K | 97.2 | Very high | 94.8 | Very high | 122 Ų | 122 | 36.9 Ų | 36.9 | 53% | 0.53 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 146.9 | 173.5 | -66.6 | 175.3 | -173.5 | 173.9 | 0 | 109.5 | Q197 L210 E211 | Q197-K199 PolarHBondContact O-N 3.38Å; K199-L210 CarbonylContact O-C 3.55Å; K199-L210 WeakPolarHBondContact O-CA 3.31Å; K199-E211 HydrophobicContact CB-CG 4.09Å; K199-E211 PolarHBondContact N-O 3.05Å; K199-E211 PolarHBondContact O-N 3.47Å |
| 200 | C | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 135.6 | 176.5 | -169.9 | 0 | 0 | 0 | 0 | 110.4 | I12 N15 L208 M209 L210 | I12-C200 HydrophobicContact CG2-CB 3.62Å; N15-C200 PolarHBondContact N-O 3.19Å; N15-C200 VanDerWaalsContact N-O 3.08Å; N15-C200 PolarHBondContact ND2-O 2.96Å; C200-L208 WeakPolarHBondContact SG-CD1 3.08Å; C200-M209 WeakPolarHBondContact CA-O 3.45Å; C200-L210 HydrophobicContact CB-CD2 4.46Å; C200-L210 HydrophobicContact CB-CG 4.29Å |
| 201 | R | 97.2 | Very high | 95.4 | Very high | 21 Ų | 21 | 37.7 Ų | 37.7 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 149.7 | 178.9 | 50.5 | 176.4 | 157 | 164.6 | -2.3 | 111.2 | N15 E17 L208 M209 E211 | N15-R201 CarbonylContact O-C 3.41Å; N15-R201 WeakPolarHBondContact O-CA 3.34Å; E17-R201 HydrophobicContact CG-CB 4.25Å; E17-R201 WeakPolarHBondContact OE1-CD 3.22Å; E17-R201 IonicContact OE1-CZ 3.87Å; E17-R201 IonicContact OE1-NE 3.41Å; E17-R201 IonicContact OE1-NH1 2.78Å; E17-R201 PolarHBondContact OE1-NH1 2.9Å; E17-R201 IonicContact OE2-NH1 3.05Å; R201-L208 CarbonylContact O-C 3.58Å; R201-L208 WeakPolarHBondContact O-CA 3.4Å; R201-M209 HydrophobicContact CG-CB 4.05Å; R201-M209 PolarHBondContact N-O 3.29Å; R201-M209 PolarHBondContact O-N 3.31Å; R201-E211 IonicContact CZ-OE1 3.79Å; R201-E211 VanDerWaalsContact CZ-OE1 3.29Å; R201-E211 IonicContact CZ-OE2 3.8Å; R201-E211 IonicContact NE-OE1 2.81Å; R201-E211 PolarHBondContact NE-OE1 3.1Å; R201-E211 IonicContact NE-OE2 2.71Å; R201-E211 IonicContact NH2-OE1 3.95Å; R201-E211 PolarHBondContact NH2-OE1 3.01Å; R201-E211 VanDerWaalsContact NH2-OE1 3.1Å; R201-E211 IonicContact NH2-OE2 3.99Å; R201-E211 PolarHBondContact NH2-OE2 2.88Å |
| 202 | M | 98 | Very high | 95.8 | Very high | 13 Ų | 13 | 31.3 Ų | 31.3 | 6% | 0.064 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123.3 | 179.5 | -169.2 | 177.6 | 131.5 | 0 | 0 | 110.1 | V14 N15 R16 E17 F150 P152 I155 V207 L208 | V14-M202 HydrophobicContact CG1-CB 3.88Å; N15-M202 PolarHBondContact O-N 2.84Å; R16-M202 CarbonylContact C-O 3.5Å; R16-M202 WeakPolarHBondContact CA-O 3.27Å; E17-M202 PolarHBondContact N-O 3.5Å; F150-M202 VanDerWaalsContact O-CE 3.24Å; F150-M202 WeakPolarHBondContact O-CE 3.39Å; P152-M202 HydrophobicContact CB-SD 4.41Å; P152-M202 HydrophobicContact CG-CE 4.01Å; P152-M202 HydrophobicContact CG-SD 3.89Å; I155-M202 HydrophobicContact CD1-SD 3.83Å; M202-V207 WeakPolarHBondContact CA-O 3.5Å; M202-L208 HydrophobicContact CB-CD1 3.94Å; M202-L208 HydrophobicContact CG-CD1 4.3Å |
| 203 | T | 98 | Very high | 96 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 160.8 | 175.7 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | R19 F21 D205 G206 V207 | R19-T203 WeakPolarHBondContact O-CA 3.41Å; R19-T203 WeakPolarHBondContact O-CB 3.18Å; F21-T203 HydrophobicContact CB-CG2 4.4Å; T203-D205 WeakPolarHBondContact CB-OD1 3.32Å; T203-D205 PolarHBondContact O-N 3.1Å; T203-D205 PolarHBondContact OG1-OD1 3.43Å; T203-G206 PolarHBondContact O-N 2.94Å; T203-V207 PolarHBondContact N-O 3.13Å; T203-V207 WeakPolarHBondContact OG1-CA 3.33Å; T203-V207 VanDerWaalsContact OG1-CB 3.25Å; T203-V207 WeakPolarHBondContact OG1-CB 3.28Å; T203-V207 PolarHBondContact OG1-N 3.3Å; T203-V207 PolarHBondContact OG1-O 3.44Å |
| 204 | D | 95.8 | Very high | 96.1 | Very high | 77 Ų | 77 | 33.7 Ų | 33.7 | 41% | 0.412 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -22.7 | -179.7 | -81.1 | -32 | 0 | 0 | 0 | 113.3 | R16 E17 Q18 R19 G206 | R16-D204 IonicContact CZ-OD1 3.51Å; R16-D204 IonicContact NE-OD1 3.29Å; R16-D204 PolarHBondContact NE-OD1 3.07Å; R16-D204 IonicContact NH2-OD1 3.65Å; R16-D204 PolarHBondContact NH2-OD1 3.01Å; E17-D204 PolarHBondContact O-N 2.89Å; Q18-D204 WeakPolarHBondContact CA-OD2 3.06Å; R19-D204 PolarHBondContact N-OD2 2.98Å; R19-D204 PolarHBondContact O-N 2.88Å; D204-G206 VanDerWaalsContact C-N 3.33Å |
| 205 | D | 96.5 | Very high | 95.9 | Very high | 52 Ų | 52 | 36.7 Ų | 36.7 | 28% | 0.278 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 10.8 | 174.5 | 65.2 | -32.3 | 0 | 0 | 0 | 113.5 | S20 F21 R74 T203 | S20-D205 WeakPolarHBondContact CA-OD1 3.39Å; F21-D205 PolarHBondContact N-OD1 3.26Å; F21-D205 PolarHBondContact N-OD2 2.69Å; R74-D205 IonicContact NH2-OD2 2.74Å; T203-D205 WeakPolarHBondContact CB-OD1 3.32Å; T203-D205 PolarHBondContact O-N 3.1Å; T203-D205 PolarHBondContact OG1-OD1 3.43Å |
| 206 | G | 96.8 | Very high | 95.4 | Very high | 5 Ų | 5 | 36 Ų | 36 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 87.8 | 16.5 | 168 | 0 | 0 | 0 | 0 | 0 | 115.5 | A147 Q148 T203 D204 L208 | A147-G206 CarbonylContact C-O 3.55Å; A147-G206 VanDerWaalsContact CA-O 3.28Å; A147-G206 WeakPolarHBondContact CA-O 3.37Å; A147-G206 WeakPolarHBondContact CB-O 3.33Å; A147-G206 PolarHBondContact N-O 2.78Å; Q148-G206 PolarHBondContact N-O 3.29Å; T203-G206 PolarHBondContact O-N 2.94Å; D204-G206 VanDerWaalsContact C-N 3.33Å; G206-L208 PolarHBondContact O-N 2.85Å |
| 207 | V | 97.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 112 | 170.4 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | F21 M77 R144 M202 T203 | F21-V207 HydrophobicContact CB-CB 4.07Å; F21-V207 HydrophobicContact CB-CG2 3.65Å; F21-V207 HydrophobicContact CD1-CG2 4.41Å; F21-V207 HydrophobicContact CD2-CG1 4.17Å; F21-V207 HydrophobicContact CG-CB 4.32Å; F21-V207 HydrophobicContact CG-CG1 4.31Å; F21-V207 HydrophobicContact CG-CG2 3.99Å; M77-V207 HydrophobicContact CE-CB 4.38Å; M77-V207 HydrophobicContact CE-CG1 3.71Å; M77-V207 HydrophobicContact CE-CG2 3.72Å; M77-V207 HydrophobicContact SD-CG1 4.09Å; M77-V207 HydrophobicContact SD-CG2 3.93Å; R144-V207 HydrophobicContact CB-CG1 4.09Å; R144-V207 HydrophobicContact CG-CG1 4.28Å; M202-V207 WeakPolarHBondContact CA-O 3.5Å; T203-V207 PolarHBondContact N-O 3.13Å; T203-V207 WeakPolarHBondContact OG1-CA 3.33Å; T203-V207 VanDerWaalsContact OG1-CB 3.25Å; T203-V207 WeakPolarHBondContact OG1-CB 3.28Å; T203-V207 PolarHBondContact OG1-N 3.3Å; T203-V207 PolarHBondContact OG1-O 3.44Å |
| 208 | L | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 125.1 | 171 | -173.9 | 79.2 | 0 | 0 | 0 | 108.6 | V14 R144 F145 A147 I155 V157 V166 C200 R201 M202 G206 | V14-L208 HydrophobicContact CB-CD1 4.5Å; V14-L208 HydrophobicContact CG1-CD1 3.49Å; V14-L208 VanDerWaalsContact CG1-CD1 3.49Å; V14-L208 HydrophobicContact CG2-CD1 4.22Å; R144-L208 CarbonylContact C-O 3.6Å; R144-L208 WeakPolarHBondContact CA-O 3.3Å; F145-L208 HydrophobicContact CB-CB 4.23Å; F145-L208 HydrophobicContact CB-CD2 4.49Å; F145-L208 HydrophobicContact CD2-CD2 4.31Å; F145-L208 PolarHBondContact N-O 2.77Å; F145-L208 PolarHBondContact O-N 3.41Å; A147-L208 HydrophobicContact CB-CB 4.03Å; I155-L208 HydrophobicContact CD1-CD1 4.49Å; I155-L208 HydrophobicContact CG2-CD2 4.08Å; V157-L208 HydrophobicContact CG2-CD2 4.13Å; V166-L208 HydrophobicContact CG1-CD2 3.58Å; V166-L208 HydrophobicContact CG2-CD2 4.16Å; C200-L208 WeakPolarHBondContact SG-CD1 3.08Å; R201-L208 CarbonylContact O-C 3.58Å; R201-L208 WeakPolarHBondContact O-CA 3.4Å; M202-L208 HydrophobicContact CB-CD1 3.94Å; M202-L208 HydrophobicContact CG-CD1 4.3Å; G206-L208 PolarHBondContact O-N 2.85Å |
| 209 | M | 97.8 | Very high | 92 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.7 | -178.4 | -177.3 | -176.7 | -55.4 | 0 | 0 | 110 | F21 K142 V143 R144 C200 R201 | F21-M209 HydrophobicContact CD2-CE 4.2Å; F21-M209 HydrophobicContact CE2-CE 3.89Å; K142-M209 HydrophobicContact CD-SD 4.29Å; V143-M209 WeakPolarHBondContact O-CA 3.37Å; R144-M209 HydrophobicContact CG-CB 4.45Å; R144-M209 HydrophobicContact CG-CE 4.13Å; R144-M209 HydrophobicContact CG-CG 4.24Å; C200-M209 WeakPolarHBondContact CA-O 3.45Å; R201-M209 HydrophobicContact CG-CB 4.05Å; R201-M209 PolarHBondContact N-O 3.29Å; R201-M209 PolarHBondContact O-N 3.31Å |
| 210 | L | 97.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.1 | 168.4 | -86.2 | 124.7 | 0 | 0 | 0 | 109.2 | I12 K142 V143 F145 V157 V164 V166 L198 K199 C200 | I12-L210 HydrophobicContact CD1-CD2 4.04Å; K142-L210 WeakPolarHBondContact CA-O 2.89Å; V143-L210 HydrophobicContact CG2-CB 3.81Å; V143-L210 PolarHBondContact N-O 3.36Å; V143-L210 PolarHBondContact O-N 2.82Å; F145-L210 HydrophobicContact CD2-CD1 4.07Å; F145-L210 HydrophobicContact CE2-CD1 3.35Å; F145-L210 HydrophobicContact CZ-CD1 4.06Å; V157-L210 HydrophobicContact CG1-CD1 4.02Å; V157-L210 HydrophobicContact CG1-CD2 3.81Å; V157-L210 HydrophobicContact CG1-CG 4.31Å; V164-L210 HydrophobicContact CG1-CD1 3.85Å; V164-L210 HydrophobicContact CG1-CD2 3.88Å; V164-L210 HydrophobicContact CG2-CD2 4.16Å; V166-L210 HydrophobicContact CG2-CD1 3.95Å; L198-L210 HydrophobicContact CD2-CD2 4.17Å; K199-L210 CarbonylContact O-C 3.55Å; K199-L210 WeakPolarHBondContact O-CA 3.31Å; C200-L210 HydrophobicContact CB-CD2 4.46Å; C200-L210 HydrophobicContact CB-CG 4.29Å |
| 211 | E | 97.3 | Very high | 90.7 | Very high | 32 Ų | 32 | 36.9 Ų | 36.9 | 15% | 0.15 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 148.9 | 179.9 | 70 | -175.4 | 162.4 | 0 | 0 | 113.5 | F141 K142 L198 K199 R201 | F141-E211 CarbonylContact O-C 3.6Å; F141-E211 WeakPolarHBondContact O-CA 3.21Å; K142-E211 WeakPolarHBondContact CE-OE2 3.22Å; K142-E211 HydrophobicContact CG-CB 3.98Å; L198-E211 CarbonylContact C-O 3.52Å; L198-E211 WeakPolarHBondContact CA-O 3.37Å; K199-E211 HydrophobicContact CB-CG 4.09Å; K199-E211 PolarHBondContact N-O 3.05Å; K199-E211 PolarHBondContact O-N 3.47Å; R201-E211 IonicContact CZ-OE1 3.79Å; R201-E211 VanDerWaalsContact CZ-OE1 3.29Å; R201-E211 IonicContact CZ-OE2 3.8Å; R201-E211 IonicContact NE-OE1 2.81Å; R201-E211 PolarHBondContact NE-OE1 3.1Å; R201-E211 IonicContact NE-OE2 2.71Å; R201-E211 IonicContact NH2-OE1 3.95Å; R201-E211 PolarHBondContact NH2-OE1 3.01Å; R201-E211 VanDerWaalsContact NH2-OE1 3.1Å; R201-E211 IonicContact NH2-OE2 3.99Å; R201-E211 PolarHBondContact NH2-OE2 2.88Å |
| 212 | A | 96.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 150.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F141 L198 | F141-A212 PolarHBondContact N-O 3.17Å; F141-A212 PolarHBondContact O-N 3.37Å; L198-A212 HydrophobicContact CD2-CB 3.78Å; L198-A212 HydrophobicContact CG-CB 4.09Å |
| 213 | P | 94.5 | Very high | 90.3 | Very high | 44 Ų | 44 | 35.9 Ų | 35.9 | 29% | 0.286 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 156.2 | 167.3 | 27.6 | -30 | 0 | 0 | 0 | 110.6 | D194 Q197 | D194-P213 HydrophobicContact CB-CG 4.15Å; D194-P213 PolarHBondContact N-O 3.47Å; Q197-P213 HydrophobicContact CB-CG 3.79Å; Q197-P213 HydrophobicContact CG-CG 4.15Å |
| 214 | V | 93.9 | Very high | 90.1 | Very high | 21 Ų | 21 | 36.8 Ų | 36.8 | 13% | 0.127 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -102 | 143.3 | 177.5 | -63 | 0 | 0 | 0 | 0 | 112 | Y131 V139 F141 S192 V216 L329 | Y131-V214 HydrophobicContact CD1-CG1 3.81Å; Y131-V214 HydrophobicContact CE1-CG1 3.66Å; V139-V214 HydrophobicContact CB-CG2 4.07Å; V139-V214 HydrophobicContact CG1-CG2 4.02Å; V139-V214 VanDerWaalsContact O-CG2 3.28Å; V139-V214 WeakPolarHBondContact O-CG2 3Å; F141-V214 HydrophobicContact CB-CG1 4.11Å; S192-V214 CarbonylContact O-C 3.54Å; S192-V214 WeakPolarHBondContact O-CA 3.38Å; V214-V216 HydrophobicContact CB-CG2 4.3Å; V214-V216 HydrophobicContact CG2-CG2 3.42Å; V214-V216 VanDerWaalsContact CG2-CG2 3.42Å; V214-V216 PolarHBondContact O-N 3.32Å; V214-L329 HydrophobicContact CB-CD1 3.59Å; V214-L329 HydrophobicContact CG1-CD1 3.64Å; V214-L329 HydrophobicContact CG2-CD1 3.79Å |
| 215 | K | 89.5 | Confident | 90 | Very high | 105 Ų | 105 | 34.5 Ų | 34.5 | 46% | 0.457 | 18% | 0.178 | S | C | . | . | trans | -80.3 | 86.2 | 171.1 | -63.5 | 165.8 | 178.1 | 150.9 | 0 | 108.1 | S192 I193 D194 D195 | S192-K215 WeakPolarHBondContact O-CB 3.4Å; S192-K215 PolarHBondContact O-N 2.96Å; I193-K215 WeakPolarHBondContact O-CD 3.48Å; I193-K215 VanDerWaalsContact O-CE 3.23Å; I193-K215 WeakPolarHBondContact O-CE 3.45Å; I193-K215 PolarHBondContact O-NZ 2.88Å; D194-K215 HydrophobicContact CB-CG 4.33Å; D195-K215 IonicContact OD1-NZ 3.45Å | ||
| 216 | V | 79.6 | Confident | 89.5 | Confident | 40 Ų | 40 | 38 Ų | 38 | 24% | 0.242 | 19% | 0.193 | C | C | . | . | trans | -86.6 | 124.1 | 176 | -172 | 0 | 0 | 0 | 0 | 109.3 | Y47 V214 Q220 L222 | Y47-V216 HydrophobicContact CD1-CG1 3.83Å; Y47-V216 HydrophobicContact CE1-CB 3.93Å; Y47-V216 HydrophobicContact CE1-CG1 3.74Å; Y47-V216 HydrophobicContact CE1-CG2 3.65Å; V214-V216 HydrophobicContact CB-CG2 4.3Å; V214-V216 HydrophobicContact CG2-CG2 3.42Å; V214-V216 VanDerWaalsContact CG2-CG2 3.42Å; V214-V216 PolarHBondContact O-N 3.32Å; V216-Q220 HydrophobicContact CG1-CB 3.86Å; V216-L222 HydrophobicContact CG1-CD1 4.19Å; V216-L222 HydrophobicContact CG1-CG 4.47Å; V216-L222 HydrophobicContact CG2-CD1 4.07Å | ||
| 217 | D | 75.8 | Confident | 89.1 | Confident | 73 Ų | 73 | 39.4 Ų | 39.4 | 39% | 0.39 | 20% | 0.202 | S | C | . | . | trans | -66.1 | 140.2 | 170.8 | -170.9 | -14.4 | 0 | 0 | 0 | 109 | N219 Q220 | D217-N219 PolarHBondContact O-N 3.33Å; D217-N219 PolarHBondContact OD1-N 3.24Å; D217-Q220 HydrophobicContact CB-CG 4.21Å; D217-Q220 PolarHBondContact O-N 3.44Å | ||
| 218 | Q | 66.9 | Low | 88.8 | Confident | 193 Ų | 193 | 39.8 Ų | 39.8 | 90% | 0.902 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -21.7 | 177.1 | -64.5 | -179.7 | -0.3 | 0 | 0 | 112.3 | ||
| 219 | N | 68.7 | Low | 88.5 | Confident | 45 Ų | 45 | 40.6 Ų | 40.6 | 24% | 0.241 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 8.4 | 179.2 | -71.7 | -21.6 | 0 | 0 | 0 | 114.1 | D217 K235 Q247 | D217-N219 PolarHBondContact O-N 3.33Å; D217-N219 PolarHBondContact OD1-N 3.24Å; N219-K235 WeakPolarHBondContact O-CE 3.35Å; N219-K235 PolarHBondContact O-NZ 2.92Å; N219-Q247 PolarHBondContact ND2-OE1 3.05Å; N219-Q247 VanDerWaalsContact ND2-OE1 3.1Å |
| 220 | Q | 79.6 | Confident | 88.4 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | trans | -100 | 129.6 | 176.4 | -73.7 | 179.3 | 26 | 0 | 0 | 111.9 | V216 D217 L222 L329 | V216-Q220 HydrophobicContact CG1-CB 3.86Å; D217-Q220 HydrophobicContact CB-CG 4.21Å; D217-Q220 PolarHBondContact O-N 3.44Å; Q220-L222 HydrophobicContact CB-CD2 4.38Å; Q220-L329 VanDerWaalsContact CD-O 3.23Å; Q220-L329 PolarHBondContact NE2-O 3.3Å; Q220-L329 PolarHBondContact OE1-O 3.34Å; Q220-L329 VanDerWaalsContact OE1-O 3.14Å | ||
| 221 | S | 89.5 | Confident | 88.2 | Confident | 11 Ų | 11 | 40.7 Ų | 40.7 | 8% | 0.077 | 21% | 0.212 | C | C | . | . | trans | -104 | 90.8 | 173.1 | -62.9 | 0 | 0 | 0 | 0 | 108.8 | R233 | S221-R233 PolarHBondContact O-N 2.96Š| ||
| 222 | L | 92.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 146.8 | 175.5 | -52.4 | -176.5 | 0 | 0 | 0 | 111.3 | Y47 V139 V216 Q220 V230 A231 V232 L329 | Y47-L222 HydrophobicContact CD1-CB 4.19Å; Y47-L222 HydrophobicContact CD1-CD1 3.72Å; Y47-L222 HydrophobicContact CD1-CG 3.9Å; Y47-L222 HydrophobicContact CD2-CB 3.99Å; Y47-L222 HydrophobicContact CD2-CD1 4.24Å; Y47-L222 HydrophobicContact CD2-CG 4.49Å; Y47-L222 HydrophobicContact CE1-CD1 3.72Å; Y47-L222 HydrophobicContact CE1-CG 4.4Å; Y47-L222 HydrophobicContact CE2-CD1 4.21Å; Y47-L222 HydrophobicContact CG-CB 3.72Å; Y47-L222 HydrophobicContact CG-CD1 4.02Å; Y47-L222 HydrophobicContact CG-CG 3.97Å; V139-L222 HydrophobicContact CB-CD1 4.3Å; V139-L222 HydrophobicContact CG2-CD1 3.94Å; V216-L222 HydrophobicContact CG1-CD1 4.19Å; V216-L222 HydrophobicContact CG1-CG 4.47Å; V216-L222 HydrophobicContact CG2-CD1 4.07Å; Q220-L222 HydrophobicContact CB-CD2 4.38Å; L222-V230 HydrophobicContact CD1-CG1 4.45Å; L222-V230 HydrophobicContact CD2-CG1 4.44Å; L222-A231 CarbonylContact C-O 3.56Å; L222-A231 WeakPolarHBondContact CA-O 3.28Å; L222-V232 HydrophobicContact CD2-CG2 4.34Å; L222-L329 HydrophobicContact CD1-CD2 3.79Å; L222-L329 HydrophobicContact CD2-CD2 3.62Å; L222-L329 HydrophobicContact CG-CD2 4.38Å |
| 223 | T | 93.7 | Very high | 88 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 7% | 0.074 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | -176.6 | 173.5 | -166.9 | 0 | 0 | 0 | 0 | 109.2 | A231 R233 | T223-A231 HydrophobicContact CG2-CB 4.09Å; T223-A231 PolarHBondContact N-O 2.85Å; T223-A231 PolarHBondContact O-N 3.38Å; T223-R233 HydrophobicContact CG2-CB 4.24Å |
| 224 | L | 93.9 | Very high | 88.1 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 135 | 175.1 | -59.8 | 176.1 | 0 | 0 | 0 | 109.2 | W51 T54 W58 V133 Q229 V230 | W51-L224 HydrophobicContact CH2-CD1 4.45Å; W51-L224 HydrophobicContact CH2-CD2 4.15Å; W51-L224 HydrophobicContact CH2-CG 4.13Å; W51-L224 HydrophobicContact CZ3-CD2 4.48Å; W51-L224 HydrophobicContact CZ3-CG 4.14Å; T54-L224 HydrophobicContact CG2-CB 3.9Å; T54-L224 HydrophobicContact CG2-CD1 4.12Å; T54-L224 HydrophobicContact CG2-CG 3.92Å; W58-L224 HydrophobicContact CB-CD1 3.42Å; W58-L224 VanDerWaalsContact CB-CD1 3.42Å; W58-L224 HydrophobicContact CD2-CD1 4.12Å; W58-L224 HydrophobicContact CG-CD1 3.5Å; V133-L224 HydrophobicContact CG2-CD1 4.09Å; L224-Q229 WeakPolarHBondContact CA-O 3.5Å; L224-V230 HydrophobicContact CD2-CG2 3.86Å |
| 225 | N | 92 | Very high | 88 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 16% | 0.16 | 20% | 0.195 | C | C | . | . | trans | -75.9 | 176.9 | 174.3 | 75.8 | 18 | 0 | 0 | 0 | 111.3 | S227 G228 Q229 A231 N287 | N225-S227 PolarHBondContact ND2-OG 2.82Å; N225-S227 PolarHBondContact O-N 2.79Å; N225-S227 VanDerWaalsContact OD1-CA 3.31Å; N225-S227 WeakPolarHBondContact OD1-CA 3.36Å; N225-S227 WeakPolarHBondContact OD1-CB 3.45Å; N225-S227 PolarHBondContact OD1-N 2.83Å; N225-S227 PolarHBondContact OD1-OG 3.21Å; N225-G228 PolarHBondContact O-N 2.81Å; N225-G228 PolarHBondContact OD1-N 3.3Å; N225-G228 VanDerWaalsContact OD1-N 3.1Å; N225-Q229 PolarHBondContact N-O 3.22Å; N225-Q229 PolarHBondContact ND2-OE1 3Å; N225-Q229 VanDerWaalsContact ND2-OE1 3.14Å; N225-Q229 PolarHBondContact OD1-N 2.53Å; N225-Q229 VanDerWaalsContact OD1-N 3.09Å; N225-A231 HydrophobicContact CB-CB 4.43Å; N225-N287 VanDerWaalsContact ND2-CG 3.34Å; N225-N287 PolarHBondContact ND2-OD1 2.99Å | ||
| 226 | E | 87.1 | Confident | 87.9 | Confident | 126 Ų | 126 | 35.1 Ų | 35.1 | 59% | 0.589 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.9 | -179.1 | -58.3 | -168.8 | 152.1 | 0 | 0 | 114.7 | R65 R298 | R65-E226 PolarHBondContact NH1-O 2.97Å; E226-R298 IonicContact OE1-CZ 3.74Å; E226-R298 IonicContact OE1-NH1 2.72Å; E226-R298 PolarHBondContact OE1-NH1 3.27Å |
| 227 | S | 88.2 | Confident | 88.3 | Confident | 33 Ų | 33 | 37.7 Ų | 37.7 | 23% | 0.231 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 0.7 | 173.8 | 79.9 | 0 | 0 | 0 | 0 | 113.1 | R72 N225 Q229 | R72-S227 PolarHBondContact NH1-O 2.71Å; R72-S227 PolarHBondContact NH1-OG 3.02Å; R72-S227 PolarHBondContact NH2-O 3.2Å; N225-S227 PolarHBondContact ND2-OG 2.82Å; N225-S227 PolarHBondContact O-N 2.79Å; N225-S227 VanDerWaalsContact OD1-CA 3.31Å; N225-S227 WeakPolarHBondContact OD1-CA 3.36Å; N225-S227 WeakPolarHBondContact OD1-CB 3.45Å; N225-S227 PolarHBondContact OD1-N 2.83Å; N225-S227 PolarHBondContact OD1-OG 3.21Å; S227-Q229 WeakPolarHBondContact OG-CG 3.2Å; S227-Q229 PolarHBondContact OG-OE1 2.88Å |
| 228 | G | 91.1 | Very high | 88.8 | Confident | 13 Ų | 13 | 39.9 Ų | 39.9 | 13% | 0.134 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 77.5 | 16.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | W58 N225 | W58-G228 VanDerWaalsContact CD1-CA 3.41Å; W58-G228 PolarHBondContact NE1-O 3.29Å; N225-G228 PolarHBondContact O-N 2.81Å; N225-G228 PolarHBondContact OD1-N 3.3Å; N225-G228 VanDerWaalsContact OD1-N 3.1Å |
| 229 | Q | 93.1 | Very high | 89.8 | Confident | 17 Ų | 17 | 34.7 Ų | 34.7 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | trans | -85.5 | 150 | 172.3 | -62.1 | 167.9 | -42.7 | 0 | 0 | 110.1 | D129 L224 N225 S227 A231 | D129-Q229 PolarHBondContact OD1-NE2 2.89Å; L224-Q229 WeakPolarHBondContact CA-O 3.5Å; N225-Q229 PolarHBondContact N-O 3.22Å; N225-Q229 PolarHBondContact ND2-OE1 3Å; N225-Q229 VanDerWaalsContact ND2-OE1 3.14Å; N225-Q229 PolarHBondContact OD1-N 2.53Å; N225-Q229 VanDerWaalsContact OD1-N 3.09Å; S227-Q229 WeakPolarHBondContact OG-CG 3.2Å; S227-Q229 PolarHBondContact OG-OE1 2.88Å; Q229-A231 PolarHBondContact O-N 3.25Å | ||
| 230 | V | 94.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 130.2 | 177.1 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | Y131 V139 L222 L224 L329 | Y131-V230 WeakPolarHBondContact O-CG2 3.46Å; V139-V230 HydrophobicContact CG1-CG1 4.44Å; V139-V230 HydrophobicContact CG1-CG2 3.91Å; V139-V230 HydrophobicContact CG2-CG1 4.3Å; V139-V230 HydrophobicContact CG2-CG2 3.77Å; L222-V230 HydrophobicContact CD1-CG1 4.45Å; L222-V230 HydrophobicContact CD2-CG1 4.44Å; L224-V230 HydrophobicContact CD2-CG2 3.86Å; V230-L329 HydrophobicContact CG1-CD2 3.92Å |
| 231 | A | 94.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 169.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L222 T223 N225 Q229 C285 V286 N287 | L222-A231 CarbonylContact C-O 3.56Å; L222-A231 WeakPolarHBondContact CA-O 3.28Å; T223-A231 HydrophobicContact CG2-CB 4.09Å; T223-A231 PolarHBondContact N-O 2.85Å; T223-A231 PolarHBondContact O-N 3.38Å; N225-A231 HydrophobicContact CB-CB 4.43Å; Q229-A231 PolarHBondContact O-N 3.25Å; A231-C285 WeakPolarHBondContact CB-SG 3.48Å; A231-V286 WeakPolarHBondContact CA-O 3.34Å; A231-V286 WeakPolarHBondContact CB-O 3.5Å; A231-N287 HydrophobicContact CB-CB 4.33Å |
| 232 | V | 94.8 | Very high | 91 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.4 | 178.6 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | L222 V286 V331 A333 | L222-V232 HydrophobicContact CD2-CG2 4.34Å; V232-V286 HydrophobicContact CB-CB 4.4Å; V232-V286 PolarHBondContact N-O 3.48Å; V232-V286 PolarHBondContact O-N 3.35Å; V232-V331 HydrophobicContact CG2-CB 4.07Å; V232-V331 HydrophobicContact CG2-CG1 4.45Å; V232-A333 HydrophobicContact CG1-CB 4.12Å |
| 233 | R | 95.2 | Very high | 90.7 | Very high | 32 Ų | 32 | 44.3 Ų | 44.3 | 12% | 0.121 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -81.5 | 127.1 | 166.4 | -176.5 | 179.5 | -71.6 | 162.6 | 2.8 | 109.1 | D50 S221 T223 P281 | D50-R233 VanDerWaalsContact CG-NH1 3.34Å; D50-R233 IonicContact OD1-CZ 2.68Å; D50-R233 IonicContact OD1-NH1 2.83Å; D50-R233 PolarHBondContact OD1-NH1 2.98Å; D50-R233 IonicContact OD1-NH2 3.26Å; D50-R233 PolarHBondContact OD1-NH2 3.13Å; D50-R233 IonicContact OD2-CZ 3.33Å; D50-R233 IonicContact OD2-NH1 2.66Å; D50-R233 PolarHBondContact OD2-NH1 2.79Å; D50-R233 IonicContact OD2-NH2 3.11Å; D50-R233 PolarHBondContact OD2-NH2 3.28Å; S221-R233 PolarHBondContact O-N 2.96Å; T223-R233 HydrophobicContact CG2-CB 4.24Å; R233-P281 WeakPolarHBondContact CG-O 3.4Å |
| 234 | P | 95.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 145.1 | 173.6 | -22.7 | 33.5 | 0 | 0 | 0 | 112.3 | P281 L284 V286 A333 V335 L340 | P234-P281 WeakPolarHBondContact O-CB 3.36Å; P234-L284 WeakPolarHBondContact CD-O 3.23Å; P234-L284 HydrophobicContact CG-CB 3.81Å; P234-L284 HydrophobicContact CG-CD1 4.35Å; P234-V286 HydrophobicContact CG-CG2 4.26Å; P234-A333 WeakPolarHBondContact CA-O 3.39Å; P234-A333 HydrophobicContact CB-CB 4.14Å; P234-A333 HydrophobicContact CG-CB 4.17Å; P234-V335 HydrophobicContact CB-CG2 3.88Å; P234-L340 HydrophobicContact CB-CD1 4.33Å; P234-L340 HydrophobicContact CG-CD1 3.47Å; P234-L340 VanDerWaalsContact CG-CD1 3.47Å; P234-L340 HydrophobicContact CG-CG 4.21Å |
| 235 | K | 92.6 | Very high | 90.1 | Very high | 17 Ų | 17 | 50.3 Ų | 50.3 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -70.5 | 143.1 | 172.7 | -65.9 | 173.8 | -178.6 | 150.9 | 0 | 111.5 | N219 Q239 I240 V243 A333 Q334 V335 | N219-K235 WeakPolarHBondContact O-CE 3.35Å; N219-K235 PolarHBondContact O-NZ 2.92Å; K235-Q239 HydrophobicContact CB-CB 4.01Å; K235-Q239 HydrophobicContact CG-CB 4.3Å; K235-I240 HydrophobicContact CB-CG1 3.83Å; K235-V243 HydrophobicContact CD-CG2 3.67Å; K235-A333 PolarHBondContact N-O 3.24Å; K235-Q334 HydrophobicContact CB-CG 4.2Å; K235-Q334 HydrophobicContact CD-CG 4.23Å; K235-V335 PolarHBondContact O-N 3.19Å |
| 236 | S | 87.9 | Confident | 89.7 | Confident | 31 Ų | 31 | 54.2 Ų | 54.2 | 22% | 0.217 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 161.9 | 167.7 | 65 | 0 | 0 | 0 | 0 | 112.4 | N238 Q239 I240 | S236-N238 PolarHBondContact O-N 3.46Å; S236-N238 VanDerWaalsContact O-N 3.07Å; S236-Q239 PolarHBondContact O-N 3.3Å; S236-Q239 PolarHBondContact OG-N 2.97Å; S236-Q239 PolarHBondContact OG-OE1 3.35Å; S236-I240 VanDerWaalsContact O-CG1 3.3Å; S236-I240 WeakPolarHBondContact O-CG1 3.14Å; S236-I240 PolarHBondContact O-N 2.8Å |
| 237 | D | 88.3 | Confident | 89.6 | Confident | 95 Ų | 95 | 52.3 Ų | 52.3 | 51% | 0.508 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -48.5 | -37.7 | 174 | -73.5 | -12.6 | 0 | 0 | 0 | 113.4 | K241 | D237-K241 WeakPolarHBondContact O-CG 3.4Å; D237-K241 PolarHBondContact O-N 2.99Å |
| 238 | N | 86.1 | Confident | 89.6 | Confident | 118 Ų | 118 | 52.4 Ų | 52.4 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -71.6 | -36.9 | 179.4 | -73.3 | -23.2 | 0 | 0 | 0 | 112.5 | S236 K241 | S236-N238 PolarHBondContact O-N 3.46Å; S236-N238 VanDerWaalsContact O-N 3.07Å; N238-K241 PolarHBondContact OD1-NZ 2.76Å; N238-K241 VanDerWaalsContact OD1-NZ 3.11Å |
| 239 | Q | 88 | Confident | 89.7 | Confident | 85 Ų | 85 | 52.5 Ų | 52.5 | 40% | 0.397 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.9 | -36 | 175.3 | -71.2 | 168.5 | -34.9 | 0 | 0 | 111.5 | K235 S236 K241 A242 | K235-Q239 HydrophobicContact CB-CB 4.01Å; K235-Q239 HydrophobicContact CG-CB 4.3Å; S236-Q239 PolarHBondContact O-N 3.3Å; S236-Q239 PolarHBondContact OG-N 2.97Å; S236-Q239 PolarHBondContact OG-OE1 3.35Å; Q239-K241 PolarHBondContact O-N 2.91Å; Q239-A242 PolarHBondContact O-N 2.96Å; Q239-A242 VanDerWaalsContact O-N 3.07Å |
| 240 | I | 87.8 | Confident | 89.7 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 16% | 0.164 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.3 | -36 | 177.7 | -65.6 | 165.6 | 0 | 0 | 0 | 111.1 | K235 S236 A242 V243 Q334 V335 | K235-I240 HydrophobicContact CB-CG1 3.83Å; S236-I240 VanDerWaalsContact O-CG1 3.3Å; S236-I240 WeakPolarHBondContact O-CG1 3.14Å; S236-I240 PolarHBondContact O-N 2.8Å; I240-A242 PolarHBondContact O-N 2.8Å; I240-A242 VanDerWaalsContact O-N 3.14Å; I240-V243 WeakPolarHBondContact O-CB 3.25Å; I240-V243 PolarHBondContact O-N 2.84Å; I240-Q334 HydrophobicContact CD1-CB 3.8Å; I240-Q334 HydrophobicContact CD1-CG 4.36Å; I240-Q334 HydrophobicContact CG1-CB 4.17Å; I240-Q334 HydrophobicContact CG1-CG 4.18Å; I240-V335 VanDerWaalsContact CD1-O 3.23Å; I240-V335 WeakPolarHBondContact CD1-O 3.45Å |
| 241 | K | 87.5 | Confident | 89.6 | Confident | 162 Ų | 162 | 58 Ų | 58 | 70% | 0.704 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24.8 | 175.9 | -69.8 | 167 | -169.2 | 165.8 | 0 | 114 | D237 N238 Q239 | D237-K241 WeakPolarHBondContact O-CG 3.4Å; D237-K241 PolarHBondContact O-N 2.99Å; N238-K241 PolarHBondContact OD1-NZ 2.76Å; N238-K241 VanDerWaalsContact OD1-NZ 3.11Å; Q239-K241 PolarHBondContact O-N 2.91Å |
| 242 | A | 86.6 | Confident | 89.5 | Confident | 82 Ų | 82 | 63.4 Ų | 63.4 | 68% | 0.678 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -11.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q239 I240 | Q239-A242 PolarHBondContact O-N 2.96Å; Q239-A242 VanDerWaalsContact O-N 3.07Å; I240-A242 PolarHBondContact O-N 2.8Å; I240-A242 VanDerWaalsContact O-N 3.14Å |
| 243 | V | 85.7 | Confident | 89.4 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -77.8 | 131.4 | 179.4 | -179 | 0 | 0 | 0 | 0 | 109.4 | K235 I240 A245 Q247 | K235-V243 HydrophobicContact CD-CG2 3.67Å; I240-V243 WeakPolarHBondContact O-CB 3.25Å; I240-V243 PolarHBondContact O-N 2.84Å; V243-A245 PolarHBondContact O-N 3.07Å; V243-Q247 HydrophobicContact CG1-CB 3.67Å |
| 244 | P | 88.5 | Confident | 89.3 | Confident | 62 Ų | 62 | 68.3 Ų | 68.3 | 40% | 0.403 | 42% | 0.415 | S | S | . | . | trans | -54.8 | 140.4 | 172.5 | -24.9 | 34.1 | 0 | 0 | 0 | 111.4 | S246 Q247 A248 | P244-S246 PolarHBondContact O-N 3.38Å; P244-Q247 PolarHBondContact O-N 3.36Å; P244-A248 PolarHBondContact O-N 2.81Å | ||
| 245 | A | 86.3 | Confident | 89.3 | Confident | 97 Ų | 97 | 74 Ų | 74 | 80% | 0.802 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V243 Q247 | V243-A245 PolarHBondContact O-N 3.07Å; A245-Q247 PolarHBondContact O-N 3.27Å |
| 246 | S | 84.6 | Confident | 89.4 | Confident | 113 Ų | 113 | 73.7 Ų | 73.7 | 79% | 0.79 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -13.9 | 175.1 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | P244 | P244-S246 PolarHBondContact O-N 3.38Š|
| 247 | Q | 84.7 | Confident | 89.7 | Confident | 86 Ų | 86 | 74.9 Ų | 74.9 | 40% | 0.402 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -7.4 | 179.9 | -63.4 | -178.7 | -5.4 | 0 | 0 | 112.9 | N219 V243 P244 A245 Q334 | N219-Q247 PolarHBondContact ND2-OE1 3.05Å; N219-Q247 VanDerWaalsContact ND2-OE1 3.1Å; V243-Q247 HydrophobicContact CG1-CB 3.67Å; P244-Q247 PolarHBondContact O-N 3.36Å; A245-Q247 PolarHBondContact O-N 3.27Å; Q247-Q334 PolarHBondContact O-NE2 2.99Å |
| 248 | A | 89.2 | Confident | 90 | Very high | 35 Ų | 35 | 71.6 Ų | 71.6 | 29% | 0.289 | 43% | 0.431 | S | S | . | . | trans | -69.2 | 134.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | P244 | P244-A248 PolarHBondContact O-N 2.81Š| ||
| 249 | L | 93.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 70.9 Ų | 70.9 | 8% | 0.079 | 42% | 0.421 | C | S | . | . | trans | -85.9 | 144.4 | 178.2 | -59.2 | -175.5 | 0 | 0 | 0 | 109.6 | S332 Q334 V341 E343 | L249-S332 WeakPolarHBondContact CD1-O 3.15Å; L249-Q334 HydrophobicContact CB-CB 4.39Å; L249-Q334 HydrophobicContact CB-CG 4.27Å; L249-Q334 HydrophobicContact CD1-CB 4.41Å; L249-Q334 HydrophobicContact CD1-CG 4.06Å; L249-Q334 HydrophobicContact CG-CG 4.1Å; L249-V341 HydrophobicContact CB-CB 4.24Å; L249-V341 HydrophobicContact CB-CG1 3.9Å; L249-V341 HydrophobicContact CD1-CB 4.5Å; L249-V341 HydrophobicContact CD1-CG1 4.27Å; L249-V341 WeakPolarHBondContact CD1-O 3.38Å; L249-E343 HydrophobicContact CD2-CB 3.91Å; L249-E343 HydrophobicContact CD2-CG 3.84Å | ||
| 250 | V | 91.7 | Very high | 90.4 | Very high | 99 Ų | 99 | 67.6 Ų | 67.6 | 60% | 0.6 | 41% | 0.406 | S | S | * | . | trans | -120.7 | 127 | -179.3 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | K252 H270 | V250-K252 PolarHBondContact O-N 3.01Å; V250-H270 PolarHBondContact O-CE1 2.93Å | ||
| 251 | A | 93.1 | Very high | 90.3 | Very high | 36 Ų | 36 | 71.4 Ų | 71.4 | 30% | 0.298 | 43% | 0.427 | S | S | . | . | trans | -68.4 | 124.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | V341 | A251-V341 HydrophobicContact CB-CG2 3.84Š| ||
| 252 | K | 92.8 | Very high | 90.1 | Very high | 117 Ų | 117 | 66.8 Ų | 66.8 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | trans | -92.9 | -11.1 | 178.8 | -53.7 | -173.6 | -177.1 | -160.4 | 0 | 112.1 | V250 V260 E272 | V250-K252 PolarHBondContact O-N 3.01Å; K252-V260 HydrophobicContact CD-CG1 4.35Å; K252-E272 VanDerWaalsContact CA-OE1 3.26Å; K252-E272 WeakPolarHBondContact CA-OE1 3.25Å; K252-E272 WeakPolarHBondContact CB-OE1 3.37Å; K252-E272 PolarHBondContact N-OE1 3.29Å | ||
| 253 | G | 93.1 | Very high | 89.8 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 59% | 0.588 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 82.7 | 16 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E272 | G253-E272 WeakPolarHBondContact CA-OE2 3.31Å; G253-E272 PolarHBondContact N-OE1 3.2Å; G253-E272 PolarHBondContact N-OE2 2.84Å; G253-E272 VanDerWaalsContact N-OE2 3.1Å |
| 254 | V | 92.8 | Very high | 89.5 | Confident | 84 Ų | 84 | 70.6 Ų | 70.6 | 51% | 0.509 | 44% | 0.444 | S | S | . | . | trans | -110 | 94.9 | 177.6 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | E272 | V254-E272 PolarHBondContact N-OE1 2.77Š| ||
| 255 | H | 94 | Very high | 88.9 | Confident | 118 Ų | 118 | 70.4 Ų | 70.4 | 55% | 0.546 | 45% | 0.453 | S | S | . | . | trans | -64.6 | 141.2 | -179.8 | -58.2 | -43.2 | 0 | 0 | 0 | 112.4 | ||||
| 256 | G | 95 | Very high | 88.6 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 12% | 0.124 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 91.4 | -162.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V271 E272 | G256-V271 WeakPolarHBondContact O-CA 3.22Å; G256-E272 PolarHBondContact N-O 2.94Å; G256-E272 PolarHBondContact O-N 3.18Å |
| 257 | L | 94.4 | Very high | 88.6 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 29% | 0.288 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 130.7 | -174.7 | 172.8 | 61.5 | 0 | 0 | 0 | 111.9 | L269 V271 Y320 A321 I322 | L257-L269 HydrophobicContact CD1-CD1 3.22Å; L257-L269 HydrophobicContact CD1-CD2 4.44Å; L257-L269 HydrophobicContact CD1-CG 3.64Å; L257-L269 HydrophobicContact CD2-CD1 4.42Å; L257-L269 HydrophobicContact CG-CD1 4.43Å; L257-V271 HydrophobicContact CB-CG2 4.37Å; L257-V271 HydrophobicContact CD1-CG2 3.68Å; L257-Y320 HydrophobicContact CB-CD1 3.94Å; L257-Y320 HydrophobicContact CB-CG 4.3Å; L257-A321 WeakPolarHBondContact CD2-O 3.34Å; L257-I322 HydrophobicContact CD2-CG2 4.26Å |
| 258 | S | 94.6 | Very high | 88.9 | Confident | 27 Ų | 27 | 66.1 Ų | 66.1 | 19% | 0.189 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 179.6 | 170.1 | 67.7 | 0 | 0 | 0 | 0 | 111 | H270 | S258-H270 PolarHBondContact N-O 2.92Å; S258-H270 PolarHBondContact O-N 2.92Å; S258-H270 VanDerWaalsContact O-O 3.1Å; S258-H270 PolarHBondContact OG-CD2 2.9Å; S258-H270 PolarHBondContact OG-O 2.85Å |
| 259 | Y | 91.5 | Very high | 89.1 | Confident | 103 Ų | 103 | 64.4 Ų | 64.4 | 40% | 0.404 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.1 | 177.5 | -58.7 | -85 | 0 | 0 | 0 | 110.2 | R268 L269 P323 L346 | Y259-R268 WeakPolarHBondContact CA-O 3.33Å; Y259-L269 HydrophobicContact CE1-CD1 4.18Å; Y259-P323 HydrophobicContact CE1-CG 4.21Å; Y259-P323 WeakPolarHBondContact OH-CD 3.06Å; Y259-P323 WeakPolarHBondContact OH-CG 3.47Å; Y259-L346 HydrophobicContact CD1-CD1 3.89Å; Y259-L346 HydrophobicContact CE1-CD1 3.84Å |
| 260 | V | 91 | Very high | 89.2 | Confident | 15 Ų | 15 | 63.7 Ų | 63.7 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 144.2 | -177.6 | -52.4 | 0 | 0 | 0 | 0 | 109 | K252 K267 R268 H270 | K252-V260 HydrophobicContact CD-CG1 4.35Å; V260-K267 CarbonylContact O-C 3.58Å; V260-K267 WeakPolarHBondContact O-CA 3.38Å; V260-R268 HydrophobicContact CG2-CB 3.72Å; V260-R268 PolarHBondContact N-O 2.75Å; V260-R268 PolarHBondContact O-N 2.99Å; V260-H270 HydrophobicContact CG1-CB 3.49Å; V260-H270 VanDerWaalsContact CG1-CB 3.49Å; V260-H270 HydrophobicContact CG2-CB 4.28Å |
| 261 | D | 87.1 | Confident | 89.4 | Confident | 113 Ų | 113 | 59 Ų | 59 | 60% | 0.604 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 138.6 | 177.3 | -163.1 | -73.8 | 0 | 0 | 0 | 109.8 | G263 | D261-G263 VanDerWaalsContact C-N 3.32Å; D261-G263 WeakPolarHBondContact OD1-CA 3.26Å; D261-G263 PolarHBondContact OD1-N 2.87Å |
| 262 | D | 82.6 | Confident | 89.6 | Confident | 64 Ų | 64 | 57.3 Ų | 57.3 | 34% | 0.342 | 34% | 0.339 | S | S | . | . | trans | -87.5 | 2.3 | 179.9 | 72.8 | 7 | 0 | 0 | 0 | 114.2 | S264 G265 G266 R268 | D262-S264 PolarHBondContact O-N 2.94Å; D262-S264 VanDerWaalsContact OD1-CA 3.31Å; D262-S264 WeakPolarHBondContact OD1-CA 3.44Å; D262-S264 WeakPolarHBondContact OD1-CB 3.34Å; D262-S264 PolarHBondContact OD1-N 2.99Å; D262-S264 PolarHBondContact OD1-OG 2.79Å; D262-S264 PolarHBondContact OD2-OG 3.1Å; D262-G265 PolarHBondContact OD1-N 3.05Å; D262-G266 VanDerWaalsContact CG-C 3.4Å; D262-G266 VanDerWaalsContact CG-CA 3.4Å; D262-G266 PolarHBondContact N-O 2.79Å; D262-G266 VanDerWaalsContact N-O 3.1Å; D262-G266 WeakPolarHBondContact OD1-CA 3.37Å; D262-G266 PolarHBondContact OD1-N 2.63Å; D262-G266 WeakPolarHBondContact OD2-CA 3.41Å; D262-G266 PolarHBondContact OD2-N 3.3Å; D262-R268 HydrophobicContact CB-CG 3.83Å | ||
| 263 | G | 79.9 | Confident | 89.8 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 76% | 0.763 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 81.8 | -6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D261 | D261-G263 VanDerWaalsContact C-N 3.32Å; D261-G263 WeakPolarHBondContact OD1-CA 3.26Å; D261-G263 PolarHBondContact OD1-N 2.87Å |
| 264 | S | 80.3 | Confident | 89.9 | Confident | 101 Ų | 101 | 52.5 Ų | 52.5 | 71% | 0.706 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -118.9 | 10.9 | -179.7 | 72.1 | 0 | 0 | 0 | 0 | 113.3 | D262 G266 | D262-S264 PolarHBondContact O-N 2.94Å; D262-S264 VanDerWaalsContact OD1-CA 3.31Å; D262-S264 WeakPolarHBondContact OD1-CA 3.44Å; D262-S264 WeakPolarHBondContact OD1-CB 3.34Å; D262-S264 PolarHBondContact OD1-N 2.99Å; D262-S264 PolarHBondContact OD1-OG 2.79Å; D262-S264 PolarHBondContact OD2-OG 3.1Å; S264-G266 VanDerWaalsContact C-N 3.32Å |
| 265 | G | 74.8 | Confident | 90 | Very high | 57 Ų | 57 | 49 Ų | 49 | 59% | 0.588 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 80.2 | 11.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D262 K348 | D262-G265 PolarHBondContact OD1-N 3.05Å; G265-K348 PolarHBondContact O-NZ 3.48Å |
| 266 | G | 79.2 | Confident | 90 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | trans | -95.8 | 178.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D262 S264 | D262-G266 VanDerWaalsContact CG-C 3.4Å; D262-G266 VanDerWaalsContact CG-CA 3.4Å; D262-G266 PolarHBondContact N-O 2.79Å; D262-G266 VanDerWaalsContact N-O 3.1Å; D262-G266 WeakPolarHBondContact OD1-CA 3.37Å; D262-G266 PolarHBondContact OD1-N 2.63Å; D262-G266 WeakPolarHBondContact OD2-CA 3.41Å; D262-G266 PolarHBondContact OD2-N 3.3Å; S264-G266 VanDerWaalsContact C-N 3.32Å | ||
| 267 | K | 85.8 | Confident | 89.9 | Confident | 131 Ų | 131 | 52.4 Ų | 52.4 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 142.4 | 179.3 | -69.5 | -176.5 | -179.6 | -178.9 | 0 | 108.9 | V260 L346 | V260-K267 CarbonylContact O-C 3.58Å; V260-K267 WeakPolarHBondContact O-CA 3.38Å; K267-L346 HydrophobicContact CB-CD1 4.06Å; K267-L346 PolarHBondContact O-N 3.32Å |
| 268 | R | 90.3 | Very high | 89.8 | Confident | 72 Ų | 72 | 52 Ų | 52 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 146.4 | 165.7 | -54.6 | -179.1 | 63.8 | 146.3 | -0.3 | 109.3 | Y259 V260 D262 E343 A344 | Y259-R268 WeakPolarHBondContact CA-O 3.33Å; V260-R268 HydrophobicContact CG2-CB 3.72Å; V260-R268 PolarHBondContact N-O 2.75Å; V260-R268 PolarHBondContact O-N 2.99Å; D262-R268 HydrophobicContact CB-CG 3.83Å; R268-E343 IonicContact NE-OE2 2.88Å; R268-A344 CarbonylContact C-O 3.55Å; R268-A344 VanDerWaalsContact CA-O 3.27Å; R268-A344 WeakPolarHBondContact CA-O 3.25Å; R268-A344 WeakPolarHBondContact CB-O 3.4Å |
| 269 | L | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 139.2 | 162.2 | -163.6 | 85.3 | 0 | 0 | 0 | 109.1 | L257 Y259 V271 V293 I322 L342 E343 A344 L346 | L257-L269 HydrophobicContact CD1-CD1 3.22Å; L257-L269 HydrophobicContact CD1-CD2 4.44Å; L257-L269 HydrophobicContact CD1-CG 3.64Å; L257-L269 HydrophobicContact CD2-CD1 4.42Å; L257-L269 HydrophobicContact CG-CD1 4.43Å; Y259-L269 HydrophobicContact CE1-CD1 4.18Å; L269-V271 HydrophobicContact CD2-CG2 4.05Å; L269-V271 HydrophobicContact CG-CG2 4.23Å; L269-V293 HydrophobicContact CD2-CB 4.49Å; L269-V293 HydrophobicContact CD2-CG2 3.51Å; L269-I322 HydrophobicContact CD1-CB 4.08Å; L269-I322 HydrophobicContact CD1-CG2 3.41Å; L269-I322 VanDerWaalsContact CD1-CG2 3.41Å; L269-I322 HydrophobicContact CD2-CG2 3.97Å; L269-I322 HydrophobicContact CG-CG2 4.34Å; L269-L342 HydrophobicContact CD2-CD1 4.03Å; L269-E343 WeakPolarHBondContact O-CA 3.47Å; L269-E343 WeakPolarHBondContact O-CB 3.34Å; L269-A344 PolarHBondContact N-O 3.41Å; L269-A344 PolarHBondContact O-N 2.78Å; L269-L346 HydrophobicContact CB-CD2 4.39Å; L269-L346 HydrophobicContact CD1-CD2 4.32Å |
| 270 | H | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 123.5 | 169.4 | -178.9 | 94.9 | 0 | 0 | 0 | 109.6 | V250 S258 V260 E272 V341 L342 E343 | V250-H270 PolarHBondContact O-CE1 2.93Å; S258-H270 PolarHBondContact N-O 2.92Å; S258-H270 PolarHBondContact O-N 2.92Å; S258-H270 VanDerWaalsContact O-O 3.1Å; S258-H270 PolarHBondContact OG-CD2 2.9Å; S258-H270 PolarHBondContact OG-O 2.85Å; V260-H270 HydrophobicContact CG1-CB 3.49Å; V260-H270 VanDerWaalsContact CG1-CB 3.49Å; V260-H270 HydrophobicContact CG2-CB 4.28Å; H270-E272 WeakPolarHBondContact NE2-CG 2.91Å; H270-E272 IonicContact NE2-OE1 2.68Å; H270-E272 PolarHBondContact NE2-OE1 3.25Å; H270-V341 VanDerWaalsContact CE1-CG1 3.45Å; H270-V341 WeakPolarHBondContact CE1-CG1 3.39Å; H270-L342 WeakPolarHBondContact CA-O 3.37Å; H270-E343 HydrophobicContact CB-CG 4.14Å; H270-E343 IonicContact CE1-OE1 2.82Å; H270-E343 IonicContact CG-OE1 3.99Å; H270-E343 WeakPolarHBondContact ND1-CG 3.17Å; H270-E343 IonicContact ND1-OE1 3.83Å; H270-E343 PolarHBondContact ND1-OE1 2.91Å |
| 271 | V | 96.6 | Very high | 90 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.5 | 178.6 | -173.2 | 0 | 0 | 0 | 0 | 110 | G256 L257 L269 V273 Y320 V341 L342 | G256-V271 WeakPolarHBondContact O-CA 3.22Å; L257-V271 HydrophobicContact CB-CG2 4.37Å; L257-V271 HydrophobicContact CD1-CG2 3.68Å; L269-V271 HydrophobicContact CD2-CG2 4.05Å; L269-V271 HydrophobicContact CG-CG2 4.23Å; V271-V273 HydrophobicContact CG1-CG2 3.93Å; V271-Y320 HydrophobicContact CG1-CD2 3.64Å; V271-Y320 HydrophobicContact CG1-CE1 4.33Å; V271-Y320 HydrophobicContact CG1-CE2 3.41Å; V271-Y320 VanDerWaalsContact CG1-CE2 3.41Å; V271-Y320 HydrophobicContact CG1-CG 4.17Å; V271-V341 WeakPolarHBondContact O-CA 3.44Å; V271-L342 HydrophobicContact CB-CD1 3.96Å; V271-L342 HydrophobicContact CB-CD2 3.92Å; V271-L342 HydrophobicContact CB-CG 3.74Å; V271-L342 HydrophobicContact CG1-CD2 4.41Å; V271-L342 HydrophobicContact CG2-CD1 3.87Å; V271-L342 HydrophobicContact CG2-CD2 4.47Å; V271-L342 HydrophobicContact CG2-CG 4.23Å; V271-L342 PolarHBondContact N-O 2.82Å; V271-L342 PolarHBondContact O-N 3.01Å |
| 272 | E | 97.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.2 | 170.4 | -68.4 | -176.3 | -136.1 | 0 | 0 | 110.7 | K252 G253 V254 G256 H270 T339 L340 V341 | K252-E272 VanDerWaalsContact CA-OE1 3.26Å; K252-E272 WeakPolarHBondContact CA-OE1 3.25Å; K252-E272 WeakPolarHBondContact CB-OE1 3.37Å; K252-E272 PolarHBondContact N-OE1 3.29Å; G253-E272 WeakPolarHBondContact CA-OE2 3.31Å; G253-E272 PolarHBondContact N-OE1 3.2Å; G253-E272 PolarHBondContact N-OE2 2.84Å; G253-E272 VanDerWaalsContact N-OE2 3.1Å; V254-E272 PolarHBondContact N-OE1 2.77Å; G256-E272 PolarHBondContact N-O 2.94Å; G256-E272 PolarHBondContact O-N 3.18Å; H270-E272 WeakPolarHBondContact NE2-CG 2.91Å; H270-E272 IonicContact NE2-OE1 2.68Å; H270-E272 PolarHBondContact NE2-OE1 3.25Å; E272-T339 HydrophobicContact CB-CG2 3.83Å; E272-T339 HydrophobicContact CG-CG2 4.14Å; E272-L340 CarbonylContact C-O 3.5Å; E272-L340 WeakPolarHBondContact CA-O 3.26Å; E272-V341 HydrophobicContact CG-CG2 4.39Å |
| 273 | V | 96.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 118.3 | 177.8 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | V271 V275 V295 F316 Y320 T339 L340 | V271-V273 HydrophobicContact CG1-CG2 3.93Å; V273-V275 PolarHBondContact O-N 2.74Å; V273-V295 HydrophobicContact CG2-CB 4.31Å; V273-V295 HydrophobicContact CG2-CG1 4.38Å; V273-V295 HydrophobicContact CG2-CG2 3.97Å; V273-F316 HydrophobicContact CG1-CE2 4.44Å; V273-Y320 HydrophobicContact CG2-CE2 3.88Å; V273-T339 WeakPolarHBondContact O-CA 3.5Å; V273-L340 HydrophobicContact CB-CB 4.4Å; V273-L340 HydrophobicContact CG2-CD2 4.44Å; V273-L340 PolarHBondContact N-O 2.92Å; V273-L340 PolarHBondContact O-N 2.93Å |
| 274 | P | 95.8 | Very high | 91.5 | Very high | 72 Ų | 72 | 47.3 Ų | 47.3 | 47% | 0.468 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 127.5 | 167.2 | -20.7 | 32.3 | 0 | 0 | 0 | 110 | ||
| 275 | V | 94.7 | Very high | 92.3 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | trans | -117.3 | 129.7 | -179.7 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | V273 Y279 L284 F316 N338 L340 | V273-V275 PolarHBondContact O-N 2.74Å; V275-Y279 HydrophobicContact CG1-CD2 4.05Å; V275-Y279 HydrophobicContact CG1-CG 4.21Å; V275-L284 HydrophobicContact CG1-CD1 4.11Å; V275-L284 HydrophobicContact CG1-CD2 4.09Å; V275-L284 HydrophobicContact CG2-CD1 4.33Å; V275-F316 HydrophobicContact CG2-CZ 4.33Å; V275-N338 PolarHBondContact N-O 2.89Å; V275-L340 HydrophobicContact CG2-CB 3.71Å | ||
| 276 | D | 94.4 | Very high | 93.3 | Very high | 98 Ų | 98 | 40.6 Ų | 40.6 | 52% | 0.524 | 21% | 0.21 | S | C | . | . | trans | -58.7 | 133.8 | 174.1 | -174.2 | -67.7 | 0 | 0 | 0 | 109.7 | V278 Y279 | D276-V278 HydrophobicContact CB-CG1 4.15Å; D276-V278 PolarHBondContact O-N 3.43Å; D276-V278 VanDerWaalsContact OD1-CB 3.29Å; D276-V278 WeakPolarHBondContact OD1-CB 3.45Å; D276-V278 WeakPolarHBondContact OD1-CG1 3.28Å; D276-V278 PolarHBondContact OD1-N 2.77Å; D276-Y279 HydrophobicContact CB-CD2 3.94Å; D276-Y279 HydrophobicContact CB-CE2 4.06Å; D276-Y279 PolarHBondContact O-N 2.98Å | ||
| 277 | P | 92.6 | Very high | 94 | Very high | 102 Ų | 102 | 41 Ų | 41 | 66% | 0.662 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -17 | -178.6 | -15.2 | 17.2 | 0 | 0 | 0 | 115.5 | Y279 N338 | P277-Y279 VanDerWaalsContact C-N 3.27Å; P277-Y279 PolarHBondContact O-N 3.31Å; P277-N338 VanDerWaalsContact CG-ND2 3.3Å; P277-N338 WeakPolarHBondContact CG-ND2 3.47Å |
| 278 | V | 92.9 | Very high | 94.3 | Very high | 46 Ų | 46 | 34.9 Ų | 34.9 | 28% | 0.279 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -30.8 | 174.5 | 76.8 | 0 | 0 | 0 | 0 | 112.8 | D276 H299 | D276-V278 HydrophobicContact CB-CG1 4.15Å; D276-V278 PolarHBondContact O-N 3.43Å; D276-V278 VanDerWaalsContact OD1-CB 3.29Å; D276-V278 WeakPolarHBondContact OD1-CB 3.45Å; D276-V278 WeakPolarHBondContact OD1-CG1 3.28Å; D276-V278 PolarHBondContact OD1-N 2.77Å; V278-H299 PolarHBondContact O-CE1 3.39Å; V278-H299 PolarHBondContact O-ND1 3.33Å |
| 279 | Y | 94.7 | Very high | 94.1 | Very high | 28 Ų | 28 | 34 Ų | 34 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | trans | -84.3 | 122.7 | 179.8 | -61.9 | -81.8 | 0 | 0 | 0 | 110.1 | V275 D276 P277 D283 L284 H299 A314 E315 F316 | V275-Y279 HydrophobicContact CG1-CD2 4.05Å; V275-Y279 HydrophobicContact CG1-CG 4.21Å; D276-Y279 HydrophobicContact CB-CD2 3.94Å; D276-Y279 HydrophobicContact CB-CE2 4.06Å; D276-Y279 PolarHBondContact O-N 2.98Å; P277-Y279 VanDerWaalsContact C-N 3.27Å; P277-Y279 PolarHBondContact O-N 3.31Å; Y279-D283 HydrophobicContact CD1-CB 4.12Å; Y279-L284 HydrophobicContact CD1-CD2 4.49Å; Y279-L284 HydrophobicContact CG-CD2 4.3Å; Y279-H299 HydrophobicContact CD1-CB 3.77Å; Y279-H299 HydrophobicContact CE1-CB 3.85Å; Y279-A314 HydrophobicContact CE1-CB 4.44Å; Y279-A314 VanDerWaalsContact OH-C 3.23Å; Y279-A314 WeakPolarHBondContact OH-CB 3.32Å; Y279-E315 VanDerWaalsContact OH-C 3.27Å; Y279-E315 WeakPolarHBondContact OH-CA 3.4Å; Y279-E315 PolarHBondContact OH-N 2.82Å; Y279-F316 HydrophobicContact CD1-CD1 4.37Å; Y279-F316 HydrophobicContact CD1-CE1 4.14Å; Y279-F316 HydrophobicContact CD2-CD1 4.11Å; Y279-F316 AromaticContact CD2-CE1 3.88Å; Y279-F316 HydrophobicContact CD2-CE1 3.88Å; Y279-F316 AromaticContact CE1-CD1 3.91Å; Y279-F316 HydrophobicContact CE1-CD1 3.91Å; Y279-F316 HydrophobicContact CE1-CE1 4.15Å; Y279-F316 AromaticContact CE2-CD1 3.61Å; Y279-F316 HydrophobicContact CE2-CD1 3.61Å; Y279-F316 AromaticContact CE2-CE1 3.88Å; Y279-F316 HydrophobicContact CE2-CE1 3.88Å; Y279-F316 HydrophobicContact CG-CD1 4.47Å; Y279-F316 HydrophobicContact CG-CE1 4.02Å; Y279-F316 AromaticContact CZ-CD1 3.51Å | ||
| 280 | K | 93.2 | Very high | 93.5 | Very high | 111 Ų | 111 | 35 Ų | 35 | 48% | 0.483 | 19% | 0.192 | S | C | . | . | trans | -89.6 | 162.8 | 170.6 | -58.6 | -179.5 | -178.3 | 177.8 | 0 | 110.1 | E282 D283 L284 | K280-E282 VanDerWaalsContact CB-CD 3.41Å; K280-E282 HydrophobicContact CB-CG 4.09Å; K280-E282 VanDerWaalsContact CB-OE2 3.29Å; K280-E282 WeakPolarHBondContact CB-OE2 3.32Å; K280-E282 WeakPolarHBondContact CD-OE1 3.44Å; K280-E282 PolarHBondContact O-N 2.98Å; K280-E282 VanDerWaalsContact O-N 3.14Å; K280-D283 PolarHBondContact N-OD2 3.13Å; K280-D283 WeakPolarHBondContact O-CA 3.37Å; K280-D283 WeakPolarHBondContact O-CB 3.33Å; K280-D283 PolarHBondContact O-N 3.41Å; K280-L284 WeakPolarHBondContact O-CG 3.44Å | ||
| 281 | P | 93.5 | Very high | 93 | Very high | 23 Ų | 23 | 39 Ų | 39 | 15% | 0.149 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -53 | -34.9 | 176.4 | -27.4 | 36.2 | 0 | 0 | 0 | 113.9 | R233 P234 D283 L284 V335 | R233-P281 WeakPolarHBondContact CG-O 3.4Å; P234-P281 WeakPolarHBondContact O-CB 3.36Å; P281-D283 VanDerWaalsContact C-N 3.26Å; P281-D283 PolarHBondContact O-N 3.43Å; P281-L284 PolarHBondContact O-N 3.28Å; P281-V335 HydrophobicContact CB-CG2 4.41Å; P281-V335 HydrophobicContact CG-CB 4.36Å; P281-V335 HydrophobicContact CG-CG2 4.07Å |
| 282 | E | 92 | Very high | 92.8 | Very high | 100 Ų | 100 | 44 Ų | 44 | 47% | 0.467 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -66.6 | -21.9 | 174.1 | 61.5 | -94.8 | -147.7 | 0 | 0 | 115 | K280 L284 | K280-E282 VanDerWaalsContact CB-CD 3.41Å; K280-E282 HydrophobicContact CB-CG 4.09Å; K280-E282 VanDerWaalsContact CB-OE2 3.29Å; K280-E282 WeakPolarHBondContact CB-OE2 3.32Å; K280-E282 WeakPolarHBondContact CD-OE1 3.44Å; K280-E282 PolarHBondContact O-N 2.98Å; K280-E282 VanDerWaalsContact O-N 3.14Å; E282-L284 VanDerWaalsContact C-N 3.32Å |
| 283 | D | 93.9 | Very high | 92.6 | Very high | 33 Ų | 33 | 43.9 Ų | 43.9 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -83.7 | -9.6 | 175.6 | -58.3 | -48.1 | 0 | 0 | 0 | 112.1 | Y279 K280 P281 G297 R298 H299 | Y279-D283 HydrophobicContact CD1-CB 4.12Å; K280-D283 PolarHBondContact N-OD2 3.13Å; K280-D283 WeakPolarHBondContact O-CA 3.37Å; K280-D283 WeakPolarHBondContact O-CB 3.33Å; K280-D283 PolarHBondContact O-N 3.41Å; P281-D283 VanDerWaalsContact C-N 3.26Å; P281-D283 PolarHBondContact O-N 3.43Å; D283-G297 CarbonylContact O-C 3.59Å; D283-G297 WeakPolarHBondContact O-CA 3.37Å; D283-R298 WeakPolarHBondContact CB-O 3.43Å; D283-R298 PolarHBondContact O-N 2.92Å; D283-H299 HydrophobicContact CB-CB 4.45Å; D283-H299 IonicContact OD1-ND1 3.56Å; D283-H299 IonicContact OD2-CE1 3.81Å; D283-H299 IonicContact OD2-CG 3.67Å; D283-H299 IonicContact OD2-ND1 2.8Å; D283-H299 PolarHBondContact OD2-ND1 2.62Å |
| 284 | L | 95.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 146.7 | -171.2 | -60 | 175.5 | 0 | 0 | 0 | 112.6 | P234 V275 Y279 K280 P281 E282 S296 F316 V335 L340 | P234-L284 WeakPolarHBondContact CD-O 3.23Å; P234-L284 HydrophobicContact CG-CB 3.81Å; P234-L284 HydrophobicContact CG-CD1 4.35Å; V275-L284 HydrophobicContact CG1-CD1 4.11Å; V275-L284 HydrophobicContact CG1-CD2 4.09Å; V275-L284 HydrophobicContact CG2-CD1 4.33Å; Y279-L284 HydrophobicContact CD1-CD2 4.49Å; Y279-L284 HydrophobicContact CG-CD2 4.3Å; K280-L284 WeakPolarHBondContact O-CG 3.44Å; P281-L284 PolarHBondContact O-N 3.28Å; E282-L284 VanDerWaalsContact C-N 3.32Å; L284-S296 CarbonylContact C-O 3.6Å; L284-S296 WeakPolarHBondContact CA-O 3.45Å; L284-F316 HydrophobicContact CD2-CE1 3.66Å; L284-F316 HydrophobicContact CD2-CZ 3.69Å; L284-V335 HydrophobicContact CD1-CG2 3.74Å; L284-L340 HydrophobicContact CB-CD1 4.41Å; L284-L340 HydrophobicContact CD1-CD1 3.95Å |
| 285 | C | 95.5 | Very high | 92.5 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 10% | 0.101 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 126.7 | -178.4 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | A231 S296 | A231-C285 WeakPolarHBondContact CB-SG 3.48Å; C285-S296 PolarHBondContact N-O 3.15Å; C285-S296 PolarHBondContact O-N 3.49Å; C285-S296 PolarHBondContact O-OG 3.08Å |
| 286 | V | 96.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 116.6 | 173.4 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | A231 V232 P234 V293 V294 V295 V331 A333 L340 L342 | A231-V286 WeakPolarHBondContact CA-O 3.34Å; A231-V286 WeakPolarHBondContact CB-O 3.5Å; V232-V286 HydrophobicContact CB-CB 4.4Å; V232-V286 PolarHBondContact N-O 3.48Å; V232-V286 PolarHBondContact O-N 3.35Å; P234-V286 HydrophobicContact CG-CG2 4.26Å; V286-V293 HydrophobicContact CG1-CG1 3.84Å; V286-V294 WeakPolarHBondContact CA-O 3.17Å; V286-V295 HydrophobicContact CG2-CG2 4.39Å; V286-V331 HydrophobicContact CG1-CG1 3.88Å; V286-A333 HydrophobicContact CG2-CB 3.92Å; V286-L340 HydrophobicContact CG2-CD1 4.15Å; V286-L340 HydrophobicContact CG2-CD2 4.26Å; V286-L342 HydrophobicContact CG1-CD2 3.85Å; V286-L342 HydrophobicContact CG2-CD2 4.2Å |
| 287 | N | 94.7 | Very high | 92.6 | Very high | 10 Ų | 10 | 38.3 Ų | 38.3 | 5% | 0.053 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 144 | -178.7 | -174.3 | 73.6 | 0 | 0 | 0 | 110.8 | N225 A231 V293 V294 | N225-N287 VanDerWaalsContact ND2-CG 3.34Å; N225-N287 PolarHBondContact ND2-OD1 2.99Å; A231-N287 HydrophobicContact CB-CB 4.33Å; N287-V293 CarbonylContact O-C 3.56Å; N287-V293 WeakPolarHBondContact O-CA 3.28Å; N287-V294 HydrophobicContact CB-CB 4.46Å; N287-V294 PolarHBondContact N-O 3.33Å; N287-V294 PolarHBondContact O-N 2.81Å |
| 288 | V | 91.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.024 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 117.9 | 169.5 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | R292 V293 I322 V326 P328 V331 | V288-R292 WeakPolarHBondContact CA-O 3.46Å; V288-V293 HydrophobicContact CG2-CG2 4.4Å; V288-I322 HydrophobicContact CG1-CD1 4.48Å; V288-V326 HydrophobicContact CG1-CB 4.22Å; V288-V326 HydrophobicContact CG2-CB 4.45Å; V288-V326 HydrophobicContact CG2-CG1 4.22Å; V288-P328 HydrophobicContact CB-CB 4.46Å; V288-P328 HydrophobicContact CB-CG 4.18Å; V288-V331 HydrophobicContact CG2-CG2 3.69Å |
| 289 | D | 86.5 | Confident | 92.7 | Very high | 52 Ų | 52 | 38.3 Ų | 38.3 | 28% | 0.278 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 97.7 | 178.3 | -178.6 | 18.3 | 0 | 0 | 0 | 108.3 | K128 N291 R292 | K128-D289 WeakPolarHBondContact CD-OD1 3.33Å; K128-D289 IonicContact NZ-OD1 3.25Å; K128-D289 PolarHBondContact NZ-OD1 2.72Å; D289-N291 PolarHBondContact O-N 3.38Å; D289-R292 PolarHBondContact N-O 2.84Å; D289-R292 PolarHBondContact O-N 3.42Å |
| 290 | S | 80 | Confident | 92.4 | Very high | 22 Ų | 22 | 41.7 Ų | 41.7 | 15% | 0.154 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -92.4 | -176.5 | -8.6 | 0 | 0 | 0 | 0 | 113.8 | D125 K128 T325 | D125-S290 VanDerWaalsContact CG-CB 3.49Å; D125-S290 WeakPolarHBondContact OD1-CB 3.3Å; D125-S290 PolarHBondContact OD1-OG 3.32Å; K128-S290 PolarHBondContact NZ-OG 2.92Å; S290-T325 PolarHBondContact O-OG1 3.48Å |
| 291 | N | 84.3 | Confident | 91.9 | Very high | 84 Ų | 84 | 40.8 Ų | 40.8 | 45% | 0.449 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 25.3 | -174.2 | 66.7 | -7.2 | 0 | 0 | 0 | 110.2 | D289 A321 I322 | D289-N291 PolarHBondContact O-N 3.38Å; N291-A321 CarbonylContact O-C 3.6Å; N291-A321 WeakPolarHBondContact O-CA 3.29Å; N291-I322 WeakPolarHBondContact O-CG1 3.46Å; N291-I322 PolarHBondContact O-N 2.7Å |
| 292 | R | 91.5 | Very high | 91 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 39% | 0.392 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.8 | 176.1 | -64.8 | 173.9 | -173.6 | -87.7 | -4.4 | 111.1 | V288 D289 Y320 | V288-R292 WeakPolarHBondContact CA-O 3.46Å; D289-R292 PolarHBondContact N-O 2.84Å; D289-R292 PolarHBondContact O-N 3.42Å; R292-Y320 CarbonylContact C-O 3.42Å; R292-Y320 WeakPolarHBondContact CA-O 3.26Å |
| 293 | V | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 128.6 | 158.5 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | L269 V286 N287 V288 S319 Y320 I322 L342 | L269-V293 HydrophobicContact CD2-CB 4.49Å; L269-V293 HydrophobicContact CD2-CG2 3.51Å; V286-V293 HydrophobicContact CG1-CG1 3.84Å; N287-V293 CarbonylContact O-C 3.56Å; N287-V293 WeakPolarHBondContact O-CA 3.28Å; V288-V293 HydrophobicContact CG2-CG2 4.4Å; V293-S319 CarbonylContact O-C 3.58Å; V293-S319 WeakPolarHBondContact O-CA 3.37Å; V293-Y320 PolarHBondContact N-O 3.01Å; V293-Y320 PolarHBondContact O-N 3.14Å; V293-I322 HydrophobicContact CG2-CD1 4.12Å; V293-I322 HydrophobicContact CG2-CG2 4.03Å; V293-L342 HydrophobicContact CG1-CD1 4.1Å; V293-L342 HydrophobicContact CG1-CD2 3.9Å |
| 294 | V | 95.3 | Very high | 88 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 16% | 0.158 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.7 | 178.1 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | V286 N287 Q318 | V286-V294 WeakPolarHBondContact CA-O 3.17Å; N287-V294 HydrophobicContact CB-CB 4.46Å; N287-V294 PolarHBondContact N-O 3.33Å; N287-V294 PolarHBondContact O-N 2.81Å; V294-Q318 CarbonylContact C-O 3.56Å; V294-Q318 WeakPolarHBondContact CA-O 3.36Å |
| 295 | V | 96.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.1 | 170.6 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | V273 V286 F316 S317 Q318 L340 L342 | V273-V295 HydrophobicContact CG2-CB 4.31Å; V273-V295 HydrophobicContact CG2-CG1 4.38Å; V273-V295 HydrophobicContact CG2-CG2 3.97Å; V286-V295 HydrophobicContact CG2-CG2 4.39Å; V295-F316 HydrophobicContact CG1-CE2 4.07Å; V295-F316 HydrophobicContact CG1-CZ 4.31Å; V295-S317 CarbonylContact O-C 3.52Å; V295-S317 WeakPolarHBondContact O-CA 3.33Å; V295-Q318 PolarHBondContact N-O 2.9Å; V295-Q318 PolarHBondContact O-N 3.01Å; V295-L340 HydrophobicContact CG1-CD1 3.71Å; V295-L340 HydrophobicContact CG1-CD2 4.21Å; V295-L340 HydrophobicContact CG2-CD2 4.16Å; V295-L342 HydrophobicContact CG2-CD2 3.7Å |
| 296 | S | 96.1 | Very high | 85.3 | Confident | 34 Ų | 34 | 65.2 Ų | 65.2 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 151.7 | 178.8 | 55.3 | 0 | 0 | 0 | 0 | 110.3 | L284 C285 F316 | L284-S296 CarbonylContact C-O 3.6Å; L284-S296 WeakPolarHBondContact CA-O 3.45Å; C285-S296 PolarHBondContact N-O 3.15Å; C285-S296 PolarHBondContact O-N 3.49Å; C285-S296 PolarHBondContact O-OG 3.08Å; S296-F316 VanDerWaalsContact CA-O 3.28Å; S296-F316 WeakPolarHBondContact CA-O 3.45Å |
| 297 | G | 94.9 | Very high | 83.7 | Confident | 4 Ų | 4 | 74.1 Ų | 74.1 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 141.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D283 E315 F316 | D283-G297 CarbonylContact O-C 3.59Å; D283-G297 WeakPolarHBondContact O-CA 3.37Å; G297-E315 CarbonylContact O-C 3.6Å; G297-E315 WeakPolarHBondContact O-CA 3.44Å; G297-F316 PolarHBondContact N-O 3.31Å; G297-F316 PolarHBondContact O-N 3.14Å |
| 298 | R | 93.9 | Very high | 82.3 | Confident | 110 Ų | 110 | 75.7 Ų | 75.7 | 42% | 0.415 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 110.8 | 176 | -172.2 | 174.2 | -174.2 | 166.1 | 3.2 | 110.6 | E226 D283 F313 A314 | E226-R298 IonicContact OE1-CZ 3.74Å; E226-R298 IonicContact OE1-NH1 2.72Å; E226-R298 PolarHBondContact OE1-NH1 3.27Å; D283-R298 WeakPolarHBondContact CB-O 3.43Å; D283-R298 PolarHBondContact O-N 2.92Å; R298-F313 HydrophobicContact CG-CB 4.37Å; R298-F313 HydrophobicContact CG-CD2 4.24Å; R298-F313 HydrophobicContact CG-CG 4.5Å; R298-A314 CarbonylContact C-O 3.59Å; R298-A314 WeakPolarHBondContact CA-O 3.47Å |
| 299 | H | 92.8 | Very high | 80.8 | Confident | 39 Ų | 39 | 85.8 Ų | 85.8 | 18% | 0.181 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123.3 | -178.8 | -177.8 | 81.1 | 0 | 0 | 0 | 111.2 | V278 Y279 D283 F313 A314 | V278-H299 PolarHBondContact O-CE1 3.39Å; V278-H299 PolarHBondContact O-ND1 3.33Å; Y279-H299 HydrophobicContact CD1-CB 3.77Å; Y279-H299 HydrophobicContact CE1-CB 3.85Å; D283-H299 HydrophobicContact CB-CB 4.45Å; D283-H299 IonicContact OD1-ND1 3.56Å; D283-H299 IonicContact OD2-CE1 3.81Å; D283-H299 IonicContact OD2-CG 3.67Å; D283-H299 IonicContact OD2-ND1 2.8Å; D283-H299 PolarHBondContact OD2-ND1 2.62Å; H299-F313 CarbonylContact O-C 3.54Å; H299-F313 WeakPolarHBondContact O-CA 3.24Å; H299-F313 WeakPolarHBondContact O-CB 3.36Å; H299-A314 PolarHBondContact N-O 3.37Å; H299-A314 PolarHBondContact O-N 2.94Å |
| 300 | H | 88.2 | Confident | 79.8 | Confident | 98 Ų | 98 | 86.7 Ų | 86.7 | 45% | 0.454 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 118 | -178.7 | -162 | 91.5 | 0 | 0 | 0 | 112 | S311 | H300-S311 WeakPolarHBondContact CE1-CB 3.17Å; H300-S311 VanDerWaalsContact NE2-CB 3.29Å; H300-S311 WeakPolarHBondContact NE2-CB 3.12Å |
| 301 | K | 83.7 | Confident | 79.7 | Confident | 92 Ų | 92 | 89.5 Ų | 89.5 | 40% | 0.4 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 106.8 | 175.9 | -66 | 179.5 | 179.1 | 175 | 0 | 109.3 | K303 S312 | K301-K303 PolarHBondContact O-N 2.96Å; K301-S312 WeakPolarHBondContact CA-O 3.37Å; K301-S312 PolarHBondContact N-O 2.92Å; K301-S312 PolarHBondContact O-N 2.89Å |
| 302 | Q | 73.9 | Confident | 79.7 | Confident | 143 Ų | 143 | 87.8 Ų | 87.8 | 67% | 0.668 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 114.2 | 167.6 | -66.8 | -168.7 | 11.9 | 0 | 0 | 109.5 | ||
| 303 | K | 63.5 | Low | 79.5 | Confident | 129 Ų | 129 | 87.1 Ų | 87.1 | 56% | 0.561 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120.8 | 162.9 | -75.1 | -171.1 | 176.2 | -174.6 | 0 | 109 | K301 | K301-K303 PolarHBondContact O-N 2.96Å |
| 304 | S | 60 | Low | 79.4 | Confident | 114 Ų | 114 | 88 Ų | 88 | 80% | 0.797 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 97.2 | 166.9 | 56.6 | 0 | 0 | 0 | 0 | 108.4 | ||
| 305 | D | 64.3 | Low | 79.3 | Confident | 104 Ų | 104 | 92.5 Ų | 92.5 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 153.2 | 168.2 | -67.1 | -17 | 0 | 0 | 0 | 109.1 | H307 G308 | D305-H307 PolarHBondContact O-N 3.24Å; D305-G308 PolarHBondContact O-N 2.8Å |
| 306 | Q | 68.5 | Low | 79.3 | Confident | 198 Ų | 198 | 94.9 Ų | 94.9 | 93% | 0.925 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -10.1 | -177.2 | -68.4 | -174.7 | -5.9 | 0 | 0 | 114.2 | ||
| 307 | H | 64.2 | Low | 79.2 | Confident | 189 Ų | 189 | 97.5 Ų | 97.5 | 88% | 0.875 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 8.8 | -175.2 | -73.9 | 76.7 | 0 | 0 | 0 | 114.7 | D305 | D305-H307 PolarHBondContact O-N 3.24Š|
| 308 | G | 64.9 | Low | 79.2 | Confident | 43 Ų | 43 | 101.1 Ų | 101.1 | 44% | 0.443 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.7 | 158.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D305 S310 | D305-G308 PolarHBondContact O-N 2.8Å; G308-S310 PolarHBondContact O-N 2.84Å |
| 309 | R | 61 | Low | 79.3 | Confident | 216 Ų | 216 | 98.8 Ų | 98.8 | 82% | 0.815 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 102.5 | 178.8 | -136.5 | 175.8 | -173.4 | 167.8 | 0.3 | 108.4 | ||
| 310 | S | 65.8 | Low | 79.3 | Confident | 72 Ų | 72 | 98.3 Ų | 98.3 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 109.8 | 170.3 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | G308 | G308-S310 PolarHBondContact O-N 2.84Å |
| 311 | S | 76 | Confident | 79.5 | Confident | 80 Ų | 80 | 96.4 Ų | 96.4 | 56% | 0.559 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 123.7 | 169.5 | 53.2 | 0 | 0 | 0 | 0 | 109.9 | H300 | H300-S311 WeakPolarHBondContact CE1-CB 3.17Å; H300-S311 VanDerWaalsContact NE2-CB 3.29Å; H300-S311 WeakPolarHBondContact NE2-CB 3.12Å |
| 312 | S | 86.1 | Confident | 79.7 | Confident | 48 Ų | 48 | 92.4 Ų | 92.4 | 34% | 0.336 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 164.7 | 162.9 | 63.5 | 0 | 0 | 0 | 0 | 109.6 | K301 | K301-S312 WeakPolarHBondContact CA-O 3.37Å; K301-S312 PolarHBondContact N-O 2.92Å; K301-S312 PolarHBondContact O-N 2.89Å |
| 313 | F | 86.6 | Confident | 79.9 | Confident | 90 Ų | 90 | 89.7 Ų | 89.7 | 40% | 0.395 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 149.6 | 172.1 | 53.9 | -89.5 | 0 | 0 | 0 | 109.2 | R298 H299 E315 | R298-F313 HydrophobicContact CG-CB 4.37Å; R298-F313 HydrophobicContact CG-CD2 4.24Å; R298-F313 HydrophobicContact CG-CG 4.5Å; H299-F313 CarbonylContact O-C 3.54Å; H299-F313 WeakPolarHBondContact O-CA 3.24Å; H299-F313 WeakPolarHBondContact O-CB 3.36Å; F313-E315 HydrophobicContact CD2-CB 4.15Å; F313-E315 HydrophobicContact CD2-CG 4.37Å; F313-E315 HydrophobicContact CE2-CB 4.38Å; F313-E315 HydrophobicContact CE2-CG 4.19Å; F313-E315 WeakPolarHBondContact CE2-OE2 3.42Å |
| 314 | A | 91.5 | Very high | 80.6 | Confident | 18 Ų | 18 | 87.1 Ų | 87.1 | 15% | 0.149 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 136.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | Y279 R298 H299 | Y279-A314 HydrophobicContact CE1-CB 4.44Å; Y279-A314 VanDerWaalsContact OH-C 3.23Å; Y279-A314 WeakPolarHBondContact OH-CB 3.32Å; R298-A314 CarbonylContact C-O 3.59Å; R298-A314 WeakPolarHBondContact CA-O 3.47Å; H299-A314 PolarHBondContact N-O 3.37Å; H299-A314 PolarHBondContact O-N 2.94Å |
| 315 | E | 94.1 | Very high | 81.4 | Confident | 122 Ų | 122 | 83.2 Ų | 83.2 | 57% | 0.57 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 153.3 | 174.6 | 69.9 | -179.3 | -171.1 | 0 | 0 | 111.6 | Y279 G297 F313 | Y279-E315 VanDerWaalsContact OH-C 3.27Å; Y279-E315 WeakPolarHBondContact OH-CA 3.4Å; Y279-E315 PolarHBondContact OH-N 2.82Å; G297-E315 CarbonylContact O-C 3.6Å; G297-E315 WeakPolarHBondContact O-CA 3.44Å; F313-E315 HydrophobicContact CD2-CB 4.15Å; F313-E315 HydrophobicContact CD2-CG 4.37Å; F313-E315 HydrophobicContact CE2-CB 4.38Å; F313-E315 HydrophobicContact CE2-CG 4.19Å; F313-E315 WeakPolarHBondContact CE2-OE2 3.42Å |
| 316 | F | 95 | Very high | 82.5 | Confident | 50 Ų | 50 | 78.2 Ų | 78.2 | 22% | 0.219 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 156.6 | 164.9 | 76.9 | -83.6 | 0 | 0 | 0 | 110.5 | V273 V275 Y279 L284 V295 S296 G297 | V273-F316 HydrophobicContact CG1-CE2 4.44Å; V275-F316 HydrophobicContact CG2-CZ 4.33Å; Y279-F316 HydrophobicContact CD1-CD1 4.37Å; Y279-F316 HydrophobicContact CD1-CE1 4.14Å; Y279-F316 HydrophobicContact CD2-CD1 4.11Å; Y279-F316 AromaticContact CD2-CE1 3.88Å; Y279-F316 HydrophobicContact CD2-CE1 3.88Å; Y279-F316 AromaticContact CE1-CD1 3.91Å; Y279-F316 HydrophobicContact CE1-CD1 3.91Å; Y279-F316 HydrophobicContact CE1-CE1 4.15Å; Y279-F316 AromaticContact CE2-CD1 3.61Å; Y279-F316 HydrophobicContact CE2-CD1 3.61Å; Y279-F316 AromaticContact CE2-CE1 3.88Å; Y279-F316 HydrophobicContact CE2-CE1 3.88Å; Y279-F316 HydrophobicContact CG-CD1 4.47Å; Y279-F316 HydrophobicContact CG-CE1 4.02Å; Y279-F316 AromaticContact CZ-CD1 3.51Å; L284-F316 HydrophobicContact CD2-CE1 3.66Å; L284-F316 HydrophobicContact CD2-CZ 3.69Å; V295-F316 HydrophobicContact CG1-CE2 4.07Å; V295-F316 HydrophobicContact CG1-CZ 4.31Å; S296-F316 VanDerWaalsContact CA-O 3.28Å; S296-F316 WeakPolarHBondContact CA-O 3.45Å; G297-F316 PolarHBondContact N-O 3.31Å; G297-F316 PolarHBondContact O-N 3.14Å |
| 317 | S | 95.1 | Very high | 83.5 | Confident | 88 Ų | 88 | 69 Ų | 69 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 132.3 | 170 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | V295 | V295-S317 CarbonylContact O-C 3.52Å; V295-S317 WeakPolarHBondContact O-CA 3.33Å |
| 318 | Q | 94.6 | Very high | 84.8 | Confident | 81 Ų | 81 | 60.2 Ų | 60.2 | 38% | 0.379 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 128.7 | 177.2 | -170.2 | 158.7 | 3.2 | 0 | 0 | 109.7 | V294 V295 Y320 | V294-Q318 CarbonylContact C-O 3.56Å; V294-Q318 WeakPolarHBondContact CA-O 3.36Å; V295-Q318 PolarHBondContact N-O 2.9Å; V295-Q318 PolarHBondContact O-N 3.01Å; Q318-Y320 HydrophobicContact CB-CE2 4.49Å; Q318-Y320 HydrophobicContact CG-CE2 3.79Å; Q318-Y320 PolarHBondContact NE2-OH 2.78Å |
| 319 | S | 94.9 | Very high | 86.1 | Confident | 61 Ų | 61 | 58.3 Ų | 58.3 | 43% | 0.427 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 142.3 | -177.7 | 73.3 | 0 | 0 | 0 | 0 | 111.7 | V293 | V293-S319 CarbonylContact O-C 3.58Å; V293-S319 WeakPolarHBondContact O-CA 3.37Å |
| 320 | Y | 94.4 | Very high | 87.5 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 124.9 | 176.1 | -59.1 | -85.9 | 0 | 0 | 0 | 109.5 | L257 V271 V273 R292 V293 Q318 | L257-Y320 HydrophobicContact CB-CD1 3.94Å; L257-Y320 HydrophobicContact CB-CG 4.3Å; V271-Y320 HydrophobicContact CG1-CD2 3.64Å; V271-Y320 HydrophobicContact CG1-CE1 4.33Å; V271-Y320 HydrophobicContact CG1-CE2 3.41Å; V271-Y320 VanDerWaalsContact CG1-CE2 3.41Å; V271-Y320 HydrophobicContact CG1-CG 4.17Å; V273-Y320 HydrophobicContact CG2-CE2 3.88Å; R292-Y320 CarbonylContact C-O 3.42Å; R292-Y320 WeakPolarHBondContact CA-O 3.26Å; V293-Y320 PolarHBondContact N-O 3.01Å; V293-Y320 PolarHBondContact O-N 3.14Å; Q318-Y320 HydrophobicContact CB-CE2 4.49Å; Q318-Y320 HydrophobicContact CG-CE2 3.79Å; Q318-Y320 PolarHBondContact NE2-OH 2.78Å |
| 321 | A | 91.8 | Very high | 88.8 | Confident | 59 Ų | 59 | 45.9 Ų | 45.9 | 49% | 0.488 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 130.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L257 N291 | L257-A321 WeakPolarHBondContact CD2-O 3.34Å; N291-A321 CarbonylContact O-C 3.6Å; N291-A321 WeakPolarHBondContact O-CA 3.29Å |
| 322 | I | 88.2 | Confident | 89.6 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | trans | -116.3 | 145.1 | 178.7 | 62.7 | 171.7 | 0 | 0 | 0 | 109.4 | L257 L269 V288 N291 V293 E324 V326 | L257-I322 HydrophobicContact CD2-CG2 4.26Å; L269-I322 HydrophobicContact CD1-CB 4.08Å; L269-I322 HydrophobicContact CD1-CG2 3.41Å; L269-I322 VanDerWaalsContact CD1-CG2 3.41Å; L269-I322 HydrophobicContact CD2-CG2 3.97Å; L269-I322 HydrophobicContact CG-CG2 4.34Å; V288-I322 HydrophobicContact CG1-CD1 4.48Å; N291-I322 WeakPolarHBondContact O-CG1 3.46Å; N291-I322 PolarHBondContact O-N 2.7Å; V293-I322 HydrophobicContact CG2-CD1 4.12Å; V293-I322 HydrophobicContact CG2-CG2 4.03Å; I322-E324 VanDerWaalsContact C-N 3.35Å; I322-E324 WeakPolarHBondContact CD1-O 3.32Å; I322-E324 WeakPolarHBondContact CG1-O 3.48Å; I322-V326 HydrophobicContact CD1-CB 4.13Å; I322-V326 HydrophobicContact CD1-CG2 3.78Å | ||
| 323 | P | 77.6 | Confident | 90 | Very high | 86 Ų | 86 | 41.5 Ų | 41.5 | 56% | 0.558 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -75 | -27.4 | -170.6 | 28.5 | -35.4 | 0 | 0 | 0 | 112.7 | Y259 | Y259-P323 HydrophobicContact CE1-CG 4.21Å; Y259-P323 WeakPolarHBondContact OH-CD 3.06Å; Y259-P323 WeakPolarHBondContact OH-CG 3.47Å |
| 324 | E | 78.2 | Confident | 90.4 | Very high | 75 Ų | 75 | 37.2 Ų | 37.2 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -133.9 | 152 | -176.3 | -66 | 176.8 | -178.6 | 0 | 0 | 108.3 | I322 | I322-E324 VanDerWaalsContact C-N 3.35Å; I322-E324 WeakPolarHBondContact CD1-O 3.32Å; I322-E324 WeakPolarHBondContact CG1-O 3.48Å |
| 325 | T | 76.7 | Confident | 90.6 | Very high | 32 Ų | 32 | 37.1 Ų | 37.1 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | trans | -62.9 | 147.3 | 175 | -168.6 | 0 | 0 | 0 | 0 | 109.9 | L127 S290 | L127-T325 HydrophobicContact CD1-CG2 4.02Å; S290-T325 PolarHBondContact O-OG1 3.48Å | ||
| 326 | V | 88.1 | Confident | 90.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -113.7 | 138.1 | 172.3 | 164.2 | 0 | 0 | 0 | 0 | 107 | V288 I322 P328 V331 A344 L346 | V288-V326 HydrophobicContact CG1-CB 4.22Å; V288-V326 HydrophobicContact CG2-CB 4.45Å; V288-V326 HydrophobicContact CG2-CG1 4.22Å; I322-V326 HydrophobicContact CD1-CB 4.13Å; I322-V326 HydrophobicContact CD1-CG2 3.78Å; V326-P328 VanDerWaalsContact O-CD 3.27Å; V326-P328 WeakPolarHBondContact O-CD 3.4Å; V326-V331 HydrophobicContact CG1-CG2 3.74Å; V326-A344 HydrophobicContact CG1-CB 3.4Å; V326-A344 VanDerWaalsContact CG1-CB 3.4Å; V326-A344 HydrophobicContact CG2-CB 4.29Å; V326-L346 HydrophobicContact CG2-CD2 4.18Å | ||
| 327 | D | 89.7 | Confident | 90.4 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | trans | -63.8 | 117.5 | 167 | 175.3 | -4.2 | 0 | 0 | 0 | 108.7 | Y131 P190 S192 L329 S330 | Y131-D327 PolarHBondContact OH-OD1 2.85Å; P190-D327 HydrophobicContact CB-CB 4.21Å; P190-D327 VanDerWaalsContact CB-OD2 3.26Å; P190-D327 WeakPolarHBondContact CB-OD2 3.26Å; S192-D327 WeakPolarHBondContact CB-OD2 3.47Å; S192-D327 VanDerWaalsContact OG-CG 3.29Å; S192-D327 PolarHBondContact OG-OD1 3.15Å; S192-D327 PolarHBondContact OG-OD2 2.73Å; D327-L329 PolarHBondContact O-N 2.73Å; D327-L329 VanDerWaalsContact O-N 3.13Å; D327-L329 PolarHBondContact OD1-N 3.28Å; D327-S330 WeakPolarHBondContact O-CB 3.48Å; D327-S330 PolarHBondContact O-N 2.97Å; D327-S330 PolarHBondContact O-OG 2.78Å | ||
| 328 | P | 91.5 | Very high | 90.3 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -50.9 | -35.8 | 177.8 | -23.9 | 31.2 | 0 | 0 | 0 | 113.4 | Y131 V288 V326 S330 V331 | Y131-P328 HydrophobicContact CD2-CB 4.38Å; Y131-P328 HydrophobicContact CD2-CG 3.95Å; Y131-P328 HydrophobicContact CE2-CG 4.01Å; V288-P328 HydrophobicContact CB-CB 4.46Å; V288-P328 HydrophobicContact CB-CG 4.18Å; V326-P328 VanDerWaalsContact O-CD 3.27Å; V326-P328 WeakPolarHBondContact O-CD 3.4Å; P328-S330 VanDerWaalsContact C-N 3.26Å; P328-S330 PolarHBondContact O-N 3.5Å; P328-V331 PolarHBondContact O-N 3.39Å |
| 329 | L | 91 | Very high | 90.3 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -80.7 | -2.7 | 179 | -59.4 | -170.1 | 0 | 0 | 0 | 113.5 | Y131 V214 Q220 L222 V230 D327 | Y131-L329 HydrophobicContact CD1-CD1 3.55Å; Y131-L329 HydrophobicContact CD1-CG 3.91Å; Y131-L329 HydrophobicContact CE1-CD1 3.31Å; Y131-L329 HydrophobicContact CE1-CG 3.73Å; Y131-L329 HydrophobicContact CG-CD1 4.42Å; Y131-L329 HydrophobicContact CG-CG 4.34Å; V214-L329 HydrophobicContact CB-CD1 3.59Å; V214-L329 HydrophobicContact CG1-CD1 3.64Å; V214-L329 HydrophobicContact CG2-CD1 3.79Å; Q220-L329 VanDerWaalsContact CD-O 3.23Å; Q220-L329 PolarHBondContact NE2-O 3.3Å; Q220-L329 PolarHBondContact OE1-O 3.34Å; Q220-L329 VanDerWaalsContact OE1-O 3.14Å; L222-L329 HydrophobicContact CD1-CD2 3.79Å; L222-L329 HydrophobicContact CD2-CD2 3.62Å; L222-L329 HydrophobicContact CG-CD2 4.38Å; V230-L329 HydrophobicContact CG1-CD2 3.92Å; D327-L329 PolarHBondContact O-N 2.73Å; D327-L329 VanDerWaalsContact O-N 3.13Å; D327-L329 PolarHBondContact OD1-N 3.28Å |
| 330 | S | 90.3 | Very high | 90.4 | Very high | 24 Ų | 24 | 28.3 Ų | 28.3 | 17% | 0.168 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -92 | -9.8 | 171.9 | 76.1 | 0 | 0 | 0 | 0 | 113.1 | D327 P328 S332 | D327-S330 WeakPolarHBondContact O-CB 3.48Å; D327-S330 PolarHBondContact O-N 2.97Å; D327-S330 PolarHBondContact O-OG 2.78Å; P328-S330 VanDerWaalsContact C-N 3.26Å; P328-S330 PolarHBondContact O-N 3.5Å; S330-S332 PolarHBondContact O-N 2.84Å |
| 331 | V | 93 | Very high | 90.5 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | trans | -72.7 | 124.9 | -177.3 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | V232 V286 V288 V326 P328 L342 A344 | V232-V331 HydrophobicContact CG2-CB 4.07Å; V232-V331 HydrophobicContact CG2-CG1 4.45Å; V286-V331 HydrophobicContact CG1-CG1 3.88Å; V288-V331 HydrophobicContact CG2-CG2 3.69Å; V326-V331 HydrophobicContact CG1-CG2 3.74Å; P328-V331 PolarHBondContact O-N 3.39Å; V331-L342 HydrophobicContact CG1-CB 4.48Å; V331-A344 HydrophobicContact CB-CB 4.48Å; V331-A344 HydrophobicContact CG2-CB 3.94Å | ||
| 332 | S | 92.8 | Very high | 90.7 | Very high | 34 Ų | 34 | 24.2 Ų | 24.2 | 24% | 0.238 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132.7 | 167 | -64.7 | 0 | 0 | 0 | 0 | 108.8 | L249 S330 L342 E343 | L249-S332 WeakPolarHBondContact CD1-O 3.15Å; S330-S332 PolarHBondContact O-N 2.84Å; S332-L342 CarbonylContact O-C 3.52Å; S332-L342 WeakPolarHBondContact O-CA 3.45Å; S332-L342 WeakPolarHBondContact O-CB 3.42Å; S332-E343 PolarHBondContact N-O 3.21Å; S332-E343 PolarHBondContact O-N 3.39Å |
| 333 | A | 95.4 | Very high | 91 | Very high | 3 Ų | 3 | 25 Ų | 25 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 139.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V232 P234 K235 V286 V341 L342 | V232-A333 HydrophobicContact CG1-CB 4.12Å; P234-A333 WeakPolarHBondContact CA-O 3.39Å; P234-A333 HydrophobicContact CB-CB 4.14Å; P234-A333 HydrophobicContact CG-CB 4.17Å; K235-A333 PolarHBondContact N-O 3.24Å; V286-A333 HydrophobicContact CG2-CB 3.92Å; A333-V341 CarbonylContact C-O 3.43Å; A333-V341 WeakPolarHBondContact CA-O 3.27Å; A333-L342 HydrophobicContact CB-CB 4.03Å |
| 334 | Q | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 141.4 | -176 | -59.4 | -174.9 | 15.5 | 0 | 0 | 109.5 | K235 I240 Q247 L249 V341 | K235-Q334 HydrophobicContact CB-CG 4.2Å; K235-Q334 HydrophobicContact CD-CG 4.23Å; I240-Q334 HydrophobicContact CD1-CB 3.8Å; I240-Q334 HydrophobicContact CD1-CG 4.36Å; I240-Q334 HydrophobicContact CG1-CB 4.17Å; I240-Q334 HydrophobicContact CG1-CG 4.18Å; Q247-Q334 PolarHBondContact O-NE2 2.99Å; L249-Q334 HydrophobicContact CB-CB 4.39Å; L249-Q334 HydrophobicContact CB-CG 4.27Å; L249-Q334 HydrophobicContact CD1-CB 4.41Å; L249-Q334 HydrophobicContact CD1-CG 4.06Å; L249-Q334 HydrophobicContact CG-CG 4.1Å; Q334-V341 PolarHBondContact N-O 2.83Å; Q334-V341 PolarHBondContact O-N 3.19Å |
| 335 | V | 94.9 | Very high | 92.2 | Very high | 16 Ų | 16 | 19.4 Ų | 19.4 | 10% | 0.097 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.3 | 167.5 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | P234 K235 I240 P281 L284 G337 | P234-V335 HydrophobicContact CB-CG2 3.88Å; K235-V335 PolarHBondContact O-N 3.19Å; I240-V335 VanDerWaalsContact CD1-O 3.23Å; I240-V335 WeakPolarHBondContact CD1-O 3.45Å; P281-V335 HydrophobicContact CB-CG2 4.41Å; P281-V335 HydrophobicContact CG-CB 4.36Å; P281-V335 HydrophobicContact CG-CG2 4.07Å; L284-V335 HydrophobicContact CD1-CG2 3.74Å; V335-G337 WeakPolarHBondContact CG1-O 3.39Å |
| 336 | V | 93.2 | Very high | 92.4 | Very high | 53 Ų | 53 | 19.1 Ų | 19.1 | 32% | 0.321 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 101.8 | 176.9 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | N338 T339 V341 | V336-N338 PolarHBondContact O-N 2.82Å; V336-N338 VanDerWaalsContact O-N 3.13Å; V336-T339 PolarHBondContact N-O 2.78Å; V336-T339 PolarHBondContact O-N 2.87Å; V336-T339 VanDerWaalsContact O-N 3.11Å; V336-V341 HydrophobicContact CB-CG2 4.37Å; V336-V341 HydrophobicContact CG2-CG2 4.15Å |
| 337 | G | 91.5 | Very high | 91.4 | Very high | 51 Ų | 51 | 21.4 Ų | 21.4 | 53% | 0.526 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | -110.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V335 | V335-G337 WeakPolarHBondContact CG1-O 3.39Š|
| 338 | N | 92.9 | Very high | 90 | Very high | 87 Ų | 87 | 27 Ų | 27 | 47% | 0.465 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 15.2 | 178.1 | -73.7 | 87.2 | 0 | 0 | 0 | 113.1 | V275 P277 V336 | V275-N338 PolarHBondContact N-O 2.89Å; P277-N338 VanDerWaalsContact CG-ND2 3.3Å; P277-N338 WeakPolarHBondContact CG-ND2 3.47Å; V336-N338 PolarHBondContact O-N 2.82Å; V336-N338 VanDerWaalsContact O-N 3.13Å |
| 339 | T | 95.2 | Very high | 88 | Confident | 26 Ų | 26 | 32.3 Ų | 32.3 | 16% | 0.16 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.5 | -178.5 | -57.1 | 0 | 0 | 0 | 0 | 109.2 | E272 V273 V336 V341 | E272-T339 HydrophobicContact CB-CG2 3.83Å; E272-T339 HydrophobicContact CG-CG2 4.14Å; V273-T339 WeakPolarHBondContact O-CA 3.5Å; V336-T339 PolarHBondContact N-O 2.78Å; V336-T339 PolarHBondContact O-N 2.87Å; V336-T339 VanDerWaalsContact O-N 3.11Å; T339-V341 HydrophobicContact CG2-CG2 4.11Å; T339-V341 PolarHBondContact O-N 2.78Å |
| 340 | L | 96.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 122.1 | 163.8 | 179.5 | 154.4 | 0 | 0 | 0 | 108.1 | P234 E272 V273 V275 L284 V286 V295 L342 | P234-L340 HydrophobicContact CB-CD1 4.33Å; P234-L340 HydrophobicContact CG-CD1 3.47Å; P234-L340 VanDerWaalsContact CG-CD1 3.47Å; P234-L340 HydrophobicContact CG-CG 4.21Å; E272-L340 CarbonylContact C-O 3.5Å; E272-L340 WeakPolarHBondContact CA-O 3.26Å; V273-L340 HydrophobicContact CB-CB 4.4Å; V273-L340 HydrophobicContact CG2-CD2 4.44Å; V273-L340 PolarHBondContact N-O 2.92Å; V273-L340 PolarHBondContact O-N 2.93Å; V275-L340 HydrophobicContact CG2-CB 3.71Å; L284-L340 HydrophobicContact CB-CD1 4.41Å; L284-L340 HydrophobicContact CD1-CD1 3.95Å; V286-L340 HydrophobicContact CG2-CD1 4.15Å; V286-L340 HydrophobicContact CG2-CD2 4.26Å; V295-L340 HydrophobicContact CG1-CD1 3.71Å; V295-L340 HydrophobicContact CG1-CD2 4.21Å; V295-L340 HydrophobicContact CG2-CD2 4.16Å; L340-L342 HydrophobicContact CD2-CB 4.31Å; L340-L342 HydrophobicContact CD2-CD2 3.76Å; L340-L342 HydrophobicContact CD2-CG 4.44Å |
| 341 | V | 96.7 | Very high | 82.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.8 | 174.6 | -170.8 | 0 | 0 | 0 | 0 | 107.8 | L249 A251 H270 V271 E272 A333 Q334 V336 T339 | L249-V341 HydrophobicContact CB-CB 4.24Å; L249-V341 HydrophobicContact CB-CG1 3.9Å; L249-V341 HydrophobicContact CD1-CB 4.5Å; L249-V341 HydrophobicContact CD1-CG1 4.27Å; L249-V341 WeakPolarHBondContact CD1-O 3.38Å; A251-V341 HydrophobicContact CB-CG2 3.84Å; H270-V341 VanDerWaalsContact CE1-CG1 3.45Å; H270-V341 WeakPolarHBondContact CE1-CG1 3.39Å; V271-V341 WeakPolarHBondContact O-CA 3.44Å; E272-V341 HydrophobicContact CG-CG2 4.39Å; A333-V341 CarbonylContact C-O 3.43Å; A333-V341 WeakPolarHBondContact CA-O 3.27Å; Q334-V341 PolarHBondContact N-O 2.83Å; Q334-V341 PolarHBondContact O-N 3.19Å; V336-V341 HydrophobicContact CB-CG2 4.37Å; V336-V341 HydrophobicContact CG2-CG2 4.15Å; T339-V341 HydrophobicContact CG2-CG2 4.11Å; T339-V341 PolarHBondContact O-N 2.78Å |
| 342 | L | 95.5 | Very high | 80 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 144.6 | 171.5 | 71.3 | 94.3 | 0 | 0 | 0 | 111.3 | L269 H270 V271 V286 V293 V295 V331 S332 A333 L340 | L269-L342 HydrophobicContact CD2-CD1 4.03Å; H270-L342 WeakPolarHBondContact CA-O 3.37Å; V271-L342 HydrophobicContact CB-CD1 3.96Å; V271-L342 HydrophobicContact CB-CD2 3.92Å; V271-L342 HydrophobicContact CB-CG 3.74Å; V271-L342 HydrophobicContact CG1-CD2 4.41Å; V271-L342 HydrophobicContact CG2-CD1 3.87Å; V271-L342 HydrophobicContact CG2-CD2 4.47Å; V271-L342 HydrophobicContact CG2-CG 4.23Å; V271-L342 PolarHBondContact N-O 2.82Å; V271-L342 PolarHBondContact O-N 3.01Å; V286-L342 HydrophobicContact CG1-CD2 3.85Å; V286-L342 HydrophobicContact CG2-CD2 4.2Å; V293-L342 HydrophobicContact CG1-CD1 4.1Å; V293-L342 HydrophobicContact CG1-CD2 3.9Å; V295-L342 HydrophobicContact CG2-CD2 3.7Å; V331-L342 HydrophobicContact CG1-CB 4.48Å; S332-L342 CarbonylContact O-C 3.52Å; S332-L342 WeakPolarHBondContact O-CA 3.45Å; S332-L342 WeakPolarHBondContact O-CB 3.42Å; A333-L342 HydrophobicContact CB-CB 4.03Å; L340-L342 HydrophobicContact CD2-CB 4.31Å; L340-L342 HydrophobicContact CD2-CD2 3.76Å; L340-L342 HydrophobicContact CD2-CG 4.44Å |
| 343 | E | 94.6 | Very high | 76.8 | Confident | 25 Ų | 25 | 51.4 Ų | 51.4 | 12% | 0.117 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 145.3 | 172.8 | -68.1 | -167.7 | 176.4 | 0 | 0 | 111.9 | L249 R268 L269 H270 S332 | L249-E343 HydrophobicContact CD2-CB 3.91Å; L249-E343 HydrophobicContact CD2-CG 3.84Å; R268-E343 IonicContact NE-OE2 2.88Å; L269-E343 WeakPolarHBondContact O-CA 3.47Å; L269-E343 WeakPolarHBondContact O-CB 3.34Å; H270-E343 HydrophobicContact CB-CG 4.14Å; H270-E343 IonicContact CE1-OE1 2.82Å; H270-E343 IonicContact CG-OE1 3.99Å; H270-E343 WeakPolarHBondContact ND1-CG 3.17Å; H270-E343 IonicContact ND1-OE1 3.83Å; H270-E343 PolarHBondContact ND1-OE1 2.91Å; S332-E343 PolarHBondContact N-O 3.21Å; S332-E343 PolarHBondContact O-N 3.39Å |
| 344 | A | 92.1 | Very high | 73.8 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 143.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | R268 L269 V326 V331 | R268-A344 CarbonylContact C-O 3.55Å; R268-A344 VanDerWaalsContact CA-O 3.27Å; R268-A344 WeakPolarHBondContact CA-O 3.25Å; R268-A344 WeakPolarHBondContact CB-O 3.4Å; L269-A344 PolarHBondContact N-O 3.41Å; L269-A344 PolarHBondContact O-N 2.78Å; V326-A344 HydrophobicContact CG1-CB 3.4Å; V326-A344 VanDerWaalsContact CG1-CB 3.4Å; V326-A344 HydrophobicContact CG2-CB 4.29Å; V331-A344 HydrophobicContact CB-CB 4.48Å; V331-A344 HydrophobicContact CG2-CB 3.94Å |
| 345 | P | 88.8 | Confident | 72.7 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 28% | 0.279 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 139.3 | 171.1 | 28.8 | -34.2 | 0 | 0 | 0 | 110.3 | ||
| 346 | L | 80.4 | Confident | 71.5 | Confident | 26 Ų | 26 | 68.3 Ų | 68.3 | 14% | 0.136 | 37% | 0.374 | C | S | . | . | trans | -79.1 | 124.5 | 166.4 | -64.7 | 174.5 | 0 | 0 | 0 | 108.3 | Y259 K267 L269 V326 K348 | Y259-L346 HydrophobicContact CD1-CD1 3.89Å; Y259-L346 HydrophobicContact CE1-CD1 3.84Å; K267-L346 HydrophobicContact CB-CD1 4.06Å; K267-L346 PolarHBondContact O-N 3.32Å; L269-L346 HydrophobicContact CB-CD2 4.39Å; L269-L346 HydrophobicContact CD1-CD2 4.32Å; V326-L346 HydrophobicContact CG2-CD2 4.18Å; L346-K348 PolarHBondContact O-N 3.19Å | ||
| 347 | E | 67.8 | Low | 70.3 | Confident | 47 Ų | 47 | 69.1 Ų | 69.1 | 22% | 0.22 | 38% | 0.377 | C | S | . | . | trans | -73.7 | 91.9 | 174.6 | -71.3 | -65.2 | 158.3 | 0 | 0 | 108.8 | Q349 | E347-Q349 PolarHBondContact O-N 2.73Š| ||
| 348 | K | 59.7 | Low | 69.1 | Low | 122 Ų | 122 | 70.2 Ų | 70.2 | 53% | 0.53 | 37% | 0.368 | S | S | . | . | trans | -55.3 | 115.6 | 170.6 | -69.4 | -177.2 | -177.9 | 175.7 | 0 | 107.6 | G265 L346 H350 | G265-K348 PolarHBondContact O-NZ 3.48Å; L346-K348 PolarHBondContact O-N 3.19Å; K348-H350 PolarHBondContact O-N 3.04Å | ||
| 349 | Q | 51.2 | Low | 67.6 | Low | 116 Ų | 116 | 69.1 Ų | 69.1 | 54% | 0.542 | 36% | 0.362 | S | S | . | . | trans | -55.8 | 115.3 | 157 | -71.9 | -170.5 | -15.3 | 0 | 0 | 105.1 | N124 E347 A351 | N124-Q349 PolarHBondContact OD1-NE2 2.96Å; E347-Q349 PolarHBondContact O-N 2.73Å; Q349-A351 PolarHBondContact O-N 2.97Å | ||
| 350 | H | 42.5 | Very low | 65.7 | Low | 137 Ų | 137 | 72 Ų | 72 | 63% | 0.634 | 38% | 0.375 | S | S | * | . | trans | -56 | 106.3 | -178.7 | -77.1 | 63.4 | 0 | 0 | 0 | 106.8 | K348 I352 | K348-H350 PolarHBondContact O-N 3.04Å; H350-I352 VanDerWaalsContact C-N 3.31Å; H350-I352 PolarHBondContact O-N 3.14Å | ||
| 351 | A | 31.2 | Very low | 63.5 | Low | 84 Ų | 84 | 77.1 Ų | 77.1 | 69% | 0.694 | 40% | 0.402 | S | S | * | . | trans | -57.5 | 110.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 103.4 | Q349 T353 | Q349-A351 PolarHBondContact O-N 2.97Å; A351-T353 VanDerWaalsContact C-N 3.28Å; A351-T353 PolarHBondContact O-N 3.23Å | ||
| 352 | I | 31.2 | Very low | 61 | Low | 110 Ų | 110 | 83.1 Ų | 83.1 | 56% | 0.564 | 43% | 0.433 | S | S | * | . | trans | -57.7 | 104.5 | 171.1 | -67.3 | 160.5 | 0 | 0 | 0 | 104.2 | E92 H350 H354 | E92-I352 WeakPolarHBondContact O-CD1 2.98Å; H350-I352 VanDerWaalsContact C-N 3.31Å; H350-I352 PolarHBondContact O-N 3.14Å; I352-H354 PolarHBondContact O-N 3.19Å; I352-H354 VanDerWaalsContact O-N 3.14Å | ||
| 353 | T | 26.7 | Very low | 58.1 | Low | 134 Ų | 134 | 90 Ų | 90 | 82% | 0.822 | 47% | 0.469 | S | S | * | . | trans | -62 | 117.9 | 172.5 | -40.6 | 0 | 0 | 0 | 0 | 105.9 | A351 | A351-T353 VanDerWaalsContact C-N 3.28Å; A351-T353 PolarHBondContact O-N 3.23Å | ||
| 354 | H | 30.8 | Very low | 54.8 | Low | 236 Ų | 236 | 95.9 Ų | 95.9 | 100% | 1.093 | 50% | 0.501 | S | S | * | . | trans | -52.9 | 0 | 177 | -73.6 | -78 | 0 | 0 | 0 | 113.1 | I352 | I352-H354 PolarHBondContact O-N 3.19Å; I352-H354 VanDerWaalsContact O-N 3.14Å |
Retrieved 354 of 354 residues in 403.3 ms
(Link to these results)