| 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 | 32.2 | Very low | 30 | Very low | 242 Ų | 242 | 115.7 Ų | 115.7 | 100% | 1.192 | 68% | 0.676 | S | S | * | * | 0 | 92.4 | 0 | -77.5 | 171.8 | -177.7 | 0 | 0 | 106.7 | T3 | M1-T3 PolarHBondContact O-N 3.48Š| |||
| 2 | G | 31.6 | Very low | 30.2 | Very low | 74 Ų | 74 | 112.8 Ų | 112.8 | 76% | 0.763 | 66% | 0.655 | S | S | * | * | trans | -71 | 120.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | M4 | G2-M4 PolarHBondContact O-N 2.99Å; G2-M4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | T | 26.4 | Very low | 30.2 | Very low | 136 Ų | 136 | 110.2 Ų | 110.2 | 83% | 0.834 | 64% | 0.643 | S | S | * | * | trans | -58.4 | 110.1 | 170.2 | 42.1 | 0 | 0 | 0 | 0 | 107.8 | M1 S5 | M1-T3 PolarHBondContact O-N 3.48Å; T3-S5 PolarHBondContact O-N 2.91Å | ||
| 4 | M | 25.5 | Very low | 30.1 | Very low | 151 Ų | 151 | 105.9 Ų | 105.9 | 74% | 0.744 | 61% | 0.613 | S | S | * | * | trans | -66.9 | 112.6 | 174 | -70.8 | -172.4 | -176.9 | 0 | 0 | 108.3 | G2 Y6 | G2-M4 PolarHBondContact O-N 2.99Å; G2-M4 VanDerWaalsContact O-N 3.1Å; M4-Y6 HydrophobicContact CB-CE2 3.98Å; M4-Y6 WeakPolarHBondContact O-CD2 3.4Å | ||
| 5 | S | 24.2 | Very low | 29.9 | Very low | 119 Ų | 119 | 106.7 Ų | 106.7 | 83% | 0.832 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 120.6 | 167 | -10.6 | 0 | 0 | 0 | 0 | 108.1 | T3 | T3-S5 PolarHBondContact O-N 2.91Š|
| 6 | Y | 27.3 | Very low | 30 | Very low | 188 Ų | 188 | 102.4 Ų | 102.4 | 74% | 0.737 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 127.9 | 177 | -68.1 | -89.9 | 0 | 0 | 0 | 109.4 | M4 | M4-Y6 HydrophobicContact CB-CE2 3.98Å; M4-Y6 WeakPolarHBondContact O-CD2 3.4Å |
| 7 | P | 30.9 | Very low | 30 | Very low | 107 Ų | 107 | 107.5 Ų | 107.5 | 70% | 0.695 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 132.7 | 172.4 | 26.3 | -21.9 | 0 | 0 | 0 | 111.8 | ||
| 8 | C | 33.6 | Very low | 30 | Very low | 91 Ų | 91 | 110 Ų | 110 | 62% | 0.615 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 160.5 | -178.9 | -77.3 | 0 | 0 | 0 | 0 | 113.1 | Q53 | C8-Q53 PolarHBondContact O-OE1 3.4Š|
| 9 | S | 33.2 | Very low | 30 | Very low | 49 Ų | 49 | 114.4 Ų | 114.4 | 34% | 0.343 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -50.5 | 153.5 | -170.1 | -81.2 | 0 | 0 | 0 | 0 | 118.9 | S28 Q30 | S9-S28 PolarHBondContact OG-O 3.23Å; S9-Q30 PolarHBondContact OG-N 3.14Å; S9-Q30 VanDerWaalsContact OG-N 3.15Å |
| 10 | P | 32.5 | Very low | 30.2 | Very low | 62 Ų | 62 | 116.9 Ų | 116.9 | 40% | 0.403 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -91.6 | 136.6 | 158.6 | 33.4 | -29.2 | 0 | 0 | 0 | 113.3 | S28 | P10-S28 PolarHBondContact O-OG 3.29Š|
| 11 | L | 33.2 | Very low | 30.2 | Very low | 54 Ų | 54 | 117.5 Ų | 117.5 | 28% | 0.283 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -88 | 135.3 | 160.1 | -63.1 | -175.9 | 0 | 0 | 0 | 108.7 | P13 L25 W27 L60 | L11-P13 WeakPolarHBondContact O-CD 3.27Å; L11-L25 HydrophobicContact CB-CB 4.39Å; L11-L25 HydrophobicContact CB-CD2 4.02Å; L11-L25 HydrophobicContact CD1-CB 4.46Å; L11-L25 HydrophobicContact CD1-CD1 4.11Å; L11-W27 HydrophobicContact CD2-CB 4.24Å; L11-W27 HydrophobicContact CD2-CG 4.11Å; L11-L60 HydrophobicContact CD1-CD2 3.74Å |
| 12 | I | 31.7 | Very low | 30.3 | Very low | 81 Ų | 81 | 108.2 Ų | 108.2 | 42% | 0.415 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.2 | 116.4 | 177.2 | -58.1 | 175.1 | 0 | 0 | 0 | 108.9 | F14 L26 | I12-F14 HydrophobicContact CG2-CD2 4.32Å; I12-F14 HydrophobicContact CG2-CE2 4.22Å; I12-L26 PolarHBondContact O-N 3.36Å |
| 13 | P | 30.4 | Very low | 30.4 | Very low | 78 Ų | 78 | 106.7 Ų | 106.7 | 51% | 0.506 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.2 | 126.8 | 169.4 | 1.1 | 12.2 | 0 | 0 | 0 | 110.3 | L11 L25 | L11-P13 WeakPolarHBondContact O-CD 3.27Å; P13-L25 VanDerWaalsContact CA-CD2 3.47Å; P13-L25 HydrophobicContact CB-CD2 3.55Å; P13-L25 HydrophobicContact CG-CD2 3.58Å |
| 14 | F | 28.9 | Very low | 31.1 | Very low | 51 Ų | 51 | 102.9 Ų | 102.9 | 22% | 0.224 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.1 | 167.9 | -98.3 | -96.3 | 0 | 0 | 0 | 110.8 | I12 T16 Y24 E287 F288 | I12-F14 HydrophobicContact CG2-CD2 4.32Å; I12-F14 HydrophobicContact CG2-CE2 4.22Å; F14-T16 PolarHBondContact O-N 3.1Å; F14-Y24 PolarHBondContact N-O 3.02Å; F14-Y24 VanDerWaalsContact N-O 3.11Å; F14-E287 HydrophobicContact CE1-CB 4.44Å; F14-F288 AromaticContact CE2-CD2 3.74Å; F14-F288 HydrophobicContact CE2-CD2 3.74Å; F14-F288 HydrophobicContact CE2-CE2 4.47Å; F14-F288 HydrophobicContact CZ-CD2 4.23Å |
| 15 | P | 26.8 | Very low | 32 | Very low | 118 Ų | 118 | 97.2 Ų | 97.2 | 77% | 0.766 | 53% | 0.534 | S | S | * | . | trans | -77.6 | 111.3 | 169.9 | 5.5 | 9.4 | 0 | 0 | 0 | 109.4 | ||||
| 16 | T | 31.3 | Very low | 32.7 | Very low | 37 Ų | 37 | 92.7 Ų | 92.7 | 23% | 0.227 | 50% | 0.5 | C | S | . | . | trans | -79.9 | 126.7 | 167.8 | 47.5 | 0 | 0 | 0 | 0 | 109.7 | F14 H18 | F14-T16 PolarHBondContact O-N 3.1Å; T16-H18 PolarHBondContact O-N 3.37Å | ||
| 17 | Q | 29.9 | Very low | 33.1 | Very low | 190 Ų | 190 | 84.3 Ų | 84.3 | 89% | 0.888 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -69.6 | 74 | 163.5 | -69.8 | -172 | -9.2 | 0 | 0 | 109.5 | ||
| 18 | H | 30.1 | Very low | 33.3 | Very low | 152 Ų | 152 | 80.3 Ų | 80.3 | 70% | 0.704 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -165.6 | 108.6 | 157.9 | -110.8 | -78.1 | 0 | 0 | 0 | 106 | T16 D20 | T16-H18 PolarHBondContact O-N 3.37Å; H18-D20 VanDerWaalsContact C-N 3.3Å; H18-D20 PolarHBondContact O-N 3.11Å |
| 19 | E | 30.9 | Very low | 33.1 | Very low | 193 Ų | 193 | 77.3 Ų | 77.3 | 90% | 0.902 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 94.5 | 168.2 | -65.6 | -175.6 | 146.4 | 0 | 0 | 107.6 | ||
| 20 | D | 34.1 | Very low | 33.2 | Very low | 164 Ų | 164 | 80.8 Ų | 80.8 | 88% | 0.877 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 162.5 | 6.8 | 154.7 | -90.3 | -17.5 | 0 | 0 | 0 | 114.8 | H18 | H18-D20 VanDerWaalsContact C-N 3.3Å; H18-D20 PolarHBondContact O-N 3.11Å |
| 21 | M | 30.3 | Very low | 33 | Very low | 131 Ų | 131 | 80.2 Ų | 80.2 | 65% | 0.645 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -126.7 | 122.4 | 166.6 | -74 | -121.4 | -133.3 | 0 | 0 | 110.5 | Y24 | M21-Y24 HydrophobicContact CB-CE2 4.26Å; M21-Y24 PolarHBondContact SD-OH 3.11Å |
| 22 | G | 33.4 | Very low | 32.6 | Very low | 46 Ų | 46 | 83.3 Ų | 83.3 | 47% | 0.474 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 150.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y24 | G22-Y24 WeakPolarHBondContact O-CD2 3.05Å; G22-Y24 WeakPolarHBondContact O-CE2 3.33Å; G22-Y24 PolarHBondContact O-N 3.07Å |
| 23 | S | 34.9 | Very low | 32.3 | Very low | 42 Ų | 42 | 84.8 Ų | 84.8 | 29% | 0.294 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -46.7 | 120.1 | 175.8 | 46.3 | 0 | 0 | 0 | 0 | 111.5 | R200 | S23-R200 PolarHBondContact O-NH2 2.88Š|
| 24 | Y | 40.7 | Very low | 31.9 | Very low | 57 Ų | 57 | 86.4 Ų | 86.4 | 22% | 0.224 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 122.1 | 174.6 | -65.1 | -82.8 | 0 | 0 | 0 | 108.8 | F14 M21 G22 | F14-Y24 PolarHBondContact N-O 3.02Å; F14-Y24 VanDerWaalsContact N-O 3.11Å; M21-Y24 HydrophobicContact CB-CE2 4.26Å; M21-Y24 PolarHBondContact SD-OH 3.11Å; G22-Y24 WeakPolarHBondContact O-CD2 3.05Å; G22-Y24 WeakPolarHBondContact O-CE2 3.33Å; G22-Y24 PolarHBondContact O-N 3.07Å |
| 25 | L | 43.8 | Very low | 31.7 | Very low | 31 Ų | 31 | 91.9 Ų | 91.9 | 16% | 0.162 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 127.8 | 173.9 | -67.9 | 166.9 | 0 | 0 | 0 | 108.4 | L11 P13 L60 | L11-L25 HydrophobicContact CB-CB 4.39Å; L11-L25 HydrophobicContact CB-CD2 4.02Å; L11-L25 HydrophobicContact CD1-CB 4.46Å; L11-L25 HydrophobicContact CD1-CD1 4.11Å; P13-L25 VanDerWaalsContact CA-CD2 3.47Å; P13-L25 HydrophobicContact CB-CD2 3.55Å; P13-L25 HydrophobicContact CG-CD2 3.58Å; L25-L60 HydrophobicContact CD1-CB 4.3Å; L25-L60 HydrophobicContact CD1-CD1 3.39Å; L25-L60 HydrophobicContact CD1-CD2 3.56Å; L25-L60 HydrophobicContact CD1-CG 3.91Å |
| 26 | L | 39.7 | Very low | 31.6 | Very low | 24 Ų | 24 | 95 Ų | 95 | 13% | 0.126 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.8 | 170.7 | -68.3 | 170.7 | 0 | 0 | 0 | 109 | I12 A244 F288 | I12-L26 PolarHBondContact O-N 3.36Å; L26-A244 HydrophobicContact CB-CB 4.07Å; L26-A244 HydrophobicContact CD1-CB 3.83Å; L26-A244 HydrophobicContact CD2-CB 3.71Å; L26-A244 HydrophobicContact CG-CB 4.07Å; L26-F288 HydrophobicContact CD1-CB 4.18Å; L26-F288 HydrophobicContact CD1-CD1 4.43Å; L26-F288 HydrophobicContact CD1-CD2 3.96Å; L26-F288 HydrophobicContact CD1-CE2 4.48Å; L26-F288 HydrophobicContact CD1-CG 3.92Å |
| 27 | W | 35.8 | Very low | 31.3 | Very low | 12 Ų | 12 | 101 Ų | 101 | 5% | 0.045 | 54% | 0.538 | C | S | . | . | trans | -65.2 | 137.2 | 179.1 | -62.2 | -13.8 | 0 | 0 | 0 | 112.1 | L11 Q203 E204 A209 K210 F214 | L11-W27 HydrophobicContact CD2-CB 4.24Å; L11-W27 HydrophobicContact CD2-CG 4.11Å; W27-Q203 HydrophobicContact CH2-CB 3.85Å; W27-Q203 WeakPolarHBondContact CH2-O 3.37Å; W27-Q203 VanDerWaalsContact CZ2-C 3.45Å; W27-Q203 HydrophobicContact CZ2-CB 3.86Å; W27-Q203 WeakPolarHBondContact CZ2-O 3.44Å; W27-E204 PolarHBondContact NE1-OE1 3.43Å; W27-E204 PolarHBondContact NE1-OE2 2.86Å; W27-A209 HydrophobicContact CH2-CB 4.12Å; W27-A209 HydrophobicContact CZ3-CB 4.45Å; W27-K210 HydrophobicContact CD2-CG 4.39Å; W27-K210 HydrophobicContact CE3-CG 3.73Å; W27-K210 HydrophobicContact CH2-CD 4.32Å; W27-K210 HydrophobicContact CH2-CG 3.4Å; W27-K210 VanDerWaalsContact CH2-CG 3.4Å; W27-K210 HydrophobicContact CZ2-CG 4.1Å; W27-K210 HydrophobicContact CZ3-CB 4.08Å; W27-K210 HydrophobicContact CZ3-CD 4.36Å; W27-K210 HydrophobicContact CZ3-CG 3.2Å; W27-F214 HydrophobicContact CE3-CZ 4.35Å | ||
| 28 | S | 33.4 | Very low | 31.1 | Very low | 23 Ų | 23 | 95.6 Ų | 95.6 | 16% | 0.161 | 53% | 0.534 | C | S | . | . | trans | -106.4 | 121.7 | 159.7 | 79.3 | 0 | 0 | 0 | 0 | 110 | S9 P10 Q30 | S9-S28 PolarHBondContact OG-O 3.23Å; P10-S28 PolarHBondContact O-OG 3.29Å; S28-Q30 PolarHBondContact O-N 2.86Å | ||
| 29 | P | 30.7 | Very low | 30.8 | Very low | 29 Ų | 29 | 94.9 Ų | 94.9 | 19% | 0.188 | 54% | 0.539 | C | S | . | . | trans | -78.4 | 110.1 | 172.3 | 27.9 | -27.7 | 0 | 0 | 0 | 109.3 | F214 | P29-F214 HydrophobicContact CB-CE1 4.02Å; P29-F214 HydrophobicContact CB-CE2 4.43Å; P29-F214 HydrophobicContact CB-CZ 3.95Å; P29-F214 HydrophobicContact CG-CE1 4.29Å | ||
| 30 | Q | 34.4 | Very low | 30.5 | Very low | 121 Ų | 121 | 94.4 Ų | 94.4 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | trans | -118.4 | 94.5 | 165.3 | -65.4 | -157.8 | 2.1 | 0 | 0 | 110.4 | S9 S28 | S9-Q30 PolarHBondContact OG-N 3.14Å; S9-Q30 VanDerWaalsContact OG-N 3.15Å; S28-Q30 PolarHBondContact O-N 2.86Å | ||
| 31 | A | 28.4 | Very low | 30 | Very low | 50 Ų | 50 | 92.3 Ų | 92.3 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | trans | -103.7 | 99.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 107 | I33 M456 | A31-I33 PolarHBondContact O-N 3.17Å; A31-M456 HydrophobicContact CB-CE 3.61Å; A31-M456 HydrophobicContact CB-SD 3.68Å | ||
| 32 | V | 25.1 | Very low | 29.6 | Very low | 120 Ų | 120 | 94 Ų | 94 | 73% | 0.727 | 55% | 0.548 | S | S | * | . | trans | -73.7 | 114.8 | 172.4 | 176.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 33 | I | 25.5 | Very low | 29.3 | Very low | 112 Ų | 112 | 95.1 Ų | 95.1 | 57% | 0.574 | 56% | 0.56 | S | S | * | * | trans | -85 | 119.1 | 165.1 | -58.2 | 174.4 | 0 | 0 | 0 | 106.3 | A31 L35 F449 | A31-I33 PolarHBondContact O-N 3.17Å; I33-L35 PolarHBondContact O-N 3.12Å; I33-L35 VanDerWaalsContact O-N 3.11Å; I33-F449 HydrophobicContact CD1-CD2 4.46Å; I33-F449 HydrophobicContact CD1-CE2 3.49Å; I33-F449 VanDerWaalsContact CD1-CE2 3.49Å; I33-F449 HydrophobicContact CD1-CZ 4.15Å | ||
| 34 | P | 23 | Very low | 28.9 | Very low | 112 Ų | 112 | 101.2 Ų | 101.2 | 73% | 0.727 | 59% | 0.589 | S | S | * | * | trans | -65.1 | 116 | 177.7 | -14.5 | 27.8 | 0 | 0 | 0 | 109.2 | ||||
| 35 | L | 24.5 | Very low | 28.3 | Very low | 166 Ų | 166 | 103.9 Ų | 103.9 | 87% | 0.869 | 62% | 0.623 | S | S | * | * | trans | -73.4 | 122 | 153.4 | -93.8 | 108.7 | 0 | 0 | 0 | 107 | I33 N37 | I33-L35 PolarHBondContact O-N 3.12Å; I33-L35 VanDerWaalsContact O-N 3.11Å; L35-N37 PolarHBondContact O-N 3.06Å | ||
| 36 | E | 23.3 | Very low | 27.5 | Very low | 183 Ų | 183 | 105.2 Ų | 105.2 | 86% | 0.855 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -46.8 | 110.2 | 163.1 | -78.5 | 179.9 | 138.2 | 0 | 0 | 109.1 | ||
| 37 | N | 26.5 | Very low | 27.2 | Very low | 162 Ų | 162 | 108.5 Ų | 108.5 | 87% | 0.866 | 67% | 0.669 | S | S | * | * | trans | 178.1 | 108.2 | 136.7 | -86.1 | -27.4 | 0 | 0 | 0 | 108.7 | L35 | L35-N37 PolarHBondContact O-N 3.06Š| ||
| 38 | G | 23.7 | Very low | 27.2 | Very low | 78 Ų | 78 | 110.5 Ų | 110.5 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -69.3 | 135 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 39 | V | 25.2 | Very low | 27.4 | Very low | 136 Ų | 136 | 113.2 Ų | 113.2 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | trans | -146.3 | 110.3 | 140.2 | 179 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 40 | M | 23.5 | Very low | 27.9 | Very low | 183 Ų | 183 | 116.2 Ų | 116.2 | 90% | 0.901 | 72% | 0.717 | S | S | * | * | trans | -77.4 | 125.8 | 171.4 | -65.5 | -163.2 | -150.5 | 0 | 0 | 108.7 | ||||
| 41 | C | 23.8 | Very low | 28.2 | Very low | 120 Ų | 120 | 117.7 Ų | 117.7 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | trans | -107.3 | 114.2 | 160.7 | -72.2 | 0 | 0 | 0 | 0 | 107.4 | G43 | C41-G43 PolarHBondContact O-N 3.35Š| ||
| 42 | D | 23 | Very low | 29.1 | Very low | 166 Ų | 166 | 120.3 Ų | 120.3 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | trans | -60 | 125.9 | 168.7 | -72.9 | -47.8 | 0 | 0 | 0 | 109.9 | ||||
| 43 | G | 25.6 | Very low | 30.3 | Very low | 71 Ų | 71 | 117.8 Ų | 117.8 | 73% | 0.732 | 71% | 0.707 | S | S | * | * | trans | -163.3 | 96.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C41 | C41-G43 PolarHBondContact O-N 3.35Š| ||
| 44 | D | 26.7 | Very low | 31.7 | Very low | 169 Ų | 169 | 117.5 Ų | 117.5 | 90% | 0.904 | 70% | 0.703 | S | S | * | * | trans | 35.9 | 118 | 160.6 | -75.5 | -31.6 | 0 | 0 | 0 | 121.1 | G46 | D44-G46 PolarHBondContact O-N 2.8Š| ||
| 45 | A | 27.9 | Very low | 33.6 | Very low | 114 Ų | 114 | 116.8 Ų | 116.8 | 94% | 0.942 | 69% | 0.69 | S | S | * | * | trans | -63.1 | 84.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 46 | G | 28.3 | Very low | 35.7 | Very low | 59 Ų | 59 | 113.7 Ų | 113.7 | 61% | 0.608 | 67% | 0.674 | S | S | * | * | trans | -76.3 | 147 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110 | D44 S48 | D44-G46 PolarHBondContact O-N 2.8Å; G46-S48 PolarHBondContact O-N 3.32Å | ||
| 47 | S | 33 | Very low | 37.8 | Very low | 93 Ų | 93 | 109.5 Ų | 109.5 | 65% | 0.65 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -29.4 | 125.2 | 175.5 | 44.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 48 | S | 34.7 | Very low | 39.9 | Very low | 54 Ų | 54 | 105 Ų | 105 | 38% | 0.378 | 63% | 0.631 | S | S | . | * | trans | -50.3 | 123.6 | -171.7 | -160.6 | 0 | 0 | 0 | 0 | 110.9 | G46 D50 H51 | G46-S48 PolarHBondContact O-N 3.32Å; S48-D50 PolarHBondContact O-N 3.35Å; S48-D50 PolarHBondContact OG-OD2 3.02Å; S48-D50 VanDerWaalsContact OG-OD2 3.07Å; S48-H51 PolarHBondContact O-N 3.16Å; S48-H51 VanDerWaalsContact O-N 3.14Å | ||
| 49 | P | 38.5 | Very low | 42.5 | Very low | 80 Ų | 80 | 106.1 Ų | 106.1 | 52% | 0.519 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -54.8 | -24.2 | 177.4 | 18 | -28.8 | 0 | 0 | 0 | 112.7 | H51 H52 Q53 | P49-H51 VanDerWaalsContact C-N 3.3Å; P49-H51 PolarHBondContact O-N 3.39Å; P49-H52 PolarHBondContact O-N 3.28Å; P49-Q53 VanDerWaalsContact O-CG 3.27Å; P49-Q53 WeakPolarHBondContact O-CG 3.36Å; P49-Q53 PolarHBondContact O-N 3.17Å; P49-Q53 VanDerWaalsContact O-N 3.11Å |
| 50 | D | 41.1 | Very low | 44.9 | Very low | 92 Ų | 92 | 100.1 Ų | 100.1 | 49% | 0.492 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -56 | -37.7 | 177.2 | -58.6 | -31.7 | 0 | 0 | 0 | 113.6 | S48 Q54 | S48-D50 PolarHBondContact O-N 3.35Å; S48-D50 PolarHBondContact OG-OD2 3.02Å; S48-D50 VanDerWaalsContact OG-OD2 3.07Å; D50-Q54 WeakPolarHBondContact O-CB 3.49Å; D50-Q54 PolarHBondContact O-N 3.44Å |
| 51 | H | 41.5 | Very low | 47.4 | Very low | 151 Ų | 151 | 91.8 Ų | 91.8 | 70% | 0.699 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.9 | -40.2 | -177.1 | -88.1 | -55.3 | 0 | 0 | 0 | 112.5 | S48 P49 Q55 | S48-H51 PolarHBondContact O-N 3.16Å; S48-H51 VanDerWaalsContact O-N 3.14Å; P49-H51 VanDerWaalsContact C-N 3.3Å; P49-H51 PolarHBondContact O-N 3.39Å; H51-Q55 WeakPolarHBondContact O-CB 3.34Å; H51-Q55 PolarHBondContact O-N 2.95Å; H51-Q55 VanDerWaalsContact O-N 3.16Å |
| 52 | H | 46.3 | Very low | 50.1 | Low | 105 Ų | 105 | 90.7 Ų | 90.7 | 49% | 0.486 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.4 | -38.1 | 176.4 | -73.5 | -65.3 | 0 | 0 | 0 | 111.3 | P49 Q55 D56 | P49-H52 PolarHBondContact O-N 3.28Å; H52-Q55 WeakPolarHBondContact O-CB 3.44Å; H52-Q55 PolarHBondContact O-N 3.35Å; H52-D56 PolarHBondContact O-N 3.21Å |
| 53 | Q | 50.9 | Low | 53 | Low | 68 Ų | 68 | 86.6 Ų | 86.6 | 32% | 0.318 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.1 | -43.6 | 179.5 | -71.3 | 173.1 | 7.2 | 0 | 0 | 113.2 | C8 P49 Q55 D56 H57 | C8-Q53 PolarHBondContact O-OE1 3.4Å; P49-Q53 VanDerWaalsContact O-CG 3.27Å; P49-Q53 WeakPolarHBondContact O-CG 3.36Å; P49-Q53 PolarHBondContact O-N 3.17Å; P49-Q53 VanDerWaalsContact O-N 3.11Å; Q53-Q55 PolarHBondContact O-N 3.06Å; Q53-D56 PolarHBondContact O-N 2.97Å; Q53-H57 PolarHBondContact O-N 3.34Å |
| 54 | Q | 55.4 | Low | 55.7 | Low | 105 Ų | 105 | 83.2 Ų | 83.2 | 49% | 0.491 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 174.9 | -172.6 | 63 | 37.4 | 0 | 0 | 110.3 | D50 H57 D58 | D50-Q54 WeakPolarHBondContact O-CB 3.49Å; D50-Q54 PolarHBondContact O-N 3.44Å; Q54-H57 PolarHBondContact O-N 3.14Å; Q54-D58 PolarHBondContact NE2-OD1 3.49Å; Q54-D58 VanDerWaalsContact O-CB 3.29Å; Q54-D58 WeakPolarHBondContact O-CB 3.47Å; Q54-D58 PolarHBondContact O-N 2.84Å |
| 55 | Q | 61.6 | Low | 58.3 | Low | 97 Ų | 97 | 76.7 Ų | 76.7 | 45% | 0.453 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 176.2 | -174.2 | -179.9 | -10.7 | 0 | 0 | 112.3 | H51 H52 Q53 H57 D58 E59 | H51-Q55 WeakPolarHBondContact O-CB 3.34Å; H51-Q55 PolarHBondContact O-N 2.95Å; H51-Q55 VanDerWaalsContact O-N 3.16Å; H52-Q55 WeakPolarHBondContact O-CB 3.44Å; H52-Q55 PolarHBondContact O-N 3.35Å; Q53-Q55 PolarHBondContact O-N 3.06Å; Q55-H57 VanDerWaalsContact C-N 3.33Å; Q55-H57 PolarHBondContact O-N 2.85Å; Q55-D58 PolarHBondContact O-N 2.69Å; Q55-E59 HydrophobicContact CG-CG 4.39Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.4Å; Q55-E59 PolarHBondContact NE2-OE1 3.34Å; Q55-E59 WeakPolarHBondContact O-CB 3.15Å; Q55-E59 VanDerWaalsContact O-CG 3.3Å; Q55-E59 WeakPolarHBondContact O-CG 3.46Å; Q55-E59 PolarHBondContact O-N 3.44Å |
| 56 | D | 68.6 | Low | 61 | Low | 101 Ų | 101 | 77.8 Ų | 77.8 | 54% | 0.54 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 179 | -70.3 | -21.9 | 0 | 0 | 0 | 112 | H52 Q53 L60 | H52-D56 PolarHBondContact O-N 3.21Å; Q53-D56 PolarHBondContact O-N 2.97Å; D56-L60 WeakPolarHBondContact O-CB 3.45Å; D56-L60 PolarHBondContact O-N 3.46Å |
| 57 | H | 67.2 | Low | 63.6 | Low | 96 Ų | 96 | 78.3 Ų | 78.3 | 44% | 0.444 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.9 | -50.5 | 174.2 | -174.7 | 66.3 | 0 | 0 | 0 | 110.8 | Q53 Q54 Q55 E59 L60 M61 | Q53-H57 PolarHBondContact O-N 3.34Å; Q54-H57 PolarHBondContact O-N 3.14Å; Q55-H57 VanDerWaalsContact C-N 3.33Å; Q55-H57 PolarHBondContact O-N 2.85Å; H57-E59 VanDerWaalsContact C-N 3.28Å; H57-E59 PolarHBondContact O-N 2.9Å; H57-L60 WeakPolarHBondContact O-CB 3.42Å; H57-L60 PolarHBondContact O-N 3.21Å; H57-M61 WeakPolarHBondContact O-CB 3.46Å; H57-M61 WeakPolarHBondContact O-CG 3.36Å; H57-M61 PolarHBondContact O-N 2.91Å |
| 58 | D | 71.7 | Confident | 66 | Low | 67 Ų | 67 | 73.9 Ų | 73.9 | 36% | 0.358 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.4 | -38.4 | 179.1 | -68.3 | -18.1 | 0 | 0 | 0 | 111.7 | Q54 Q55 M61 N62 | Q54-D58 PolarHBondContact NE2-OD1 3.49Å; Q54-D58 VanDerWaalsContact O-CB 3.29Å; Q54-D58 WeakPolarHBondContact O-CB 3.47Å; Q54-D58 PolarHBondContact O-N 2.84Å; Q55-D58 PolarHBondContact O-N 2.69Å; D58-M61 PolarHBondContact O-N 3.37Å; D58-N62 WeakPolarHBondContact O-CB 3.31Å; D58-N62 VanDerWaalsContact O-CG 3.23Å; D58-N62 PolarHBondContact O-N 2.85Å; D58-N62 PolarHBondContact O-ND2 2.8Å |
| 59 | E | 78.3 | Confident | 68.3 | Low | 102 Ų | 102 | 74.7 Ų | 74.7 | 48% | 0.477 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 175.2 | -77.6 | -179.3 | -165.3 | 0 | 0 | 112.2 | Q55 H57 M61 N62 M63 | Q55-E59 HydrophobicContact CG-CG 4.39Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.4Å; Q55-E59 PolarHBondContact NE2-OE1 3.34Å; Q55-E59 WeakPolarHBondContact O-CB 3.15Å; Q55-E59 VanDerWaalsContact O-CG 3.3Å; Q55-E59 WeakPolarHBondContact O-CG 3.46Å; Q55-E59 PolarHBondContact O-N 3.44Å; H57-E59 VanDerWaalsContact C-N 3.28Å; H57-E59 PolarHBondContact O-N 2.9Å; E59-M61 VanDerWaalsContact C-N 3.3Å; E59-M61 PolarHBondContact O-N 3.2Å; E59-N62 PolarHBondContact O-N 3.24Å; E59-M63 PolarHBondContact O-N 3.46Å |
| 60 | L | 75.2 | Confident | 70.5 | Confident | 10 Ų | 10 | 74.1 Ų | 74.1 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 173.1 | 172 | 59.7 | 0 | 0 | 0 | 111 | L11 L25 D56 H57 N62 M63 L64 | L11-L60 HydrophobicContact CD1-CD2 3.74Å; L25-L60 HydrophobicContact CD1-CB 4.3Å; L25-L60 HydrophobicContact CD1-CD1 3.39Å; L25-L60 HydrophobicContact CD1-CD2 3.56Å; L25-L60 HydrophobicContact CD1-CG 3.91Å; D56-L60 WeakPolarHBondContact O-CB 3.45Å; D56-L60 PolarHBondContact O-N 3.46Å; H57-L60 WeakPolarHBondContact O-CB 3.42Å; H57-L60 PolarHBondContact O-N 3.21Å; L60-N62 VanDerWaalsContact C-N 3.34Å; L60-N62 PolarHBondContact O-N 3.47Å; L60-M63 WeakPolarHBondContact O-CB 3.45Å; L60-M63 PolarHBondContact O-N 3.22Å; L60-L64 HydrophobicContact CD1-CD1 4.21Å; L60-L64 HydrophobicContact CD1-CG 4.12Å; L60-L64 HydrophobicContact CG-CD1 4.22Å; L60-L64 WeakPolarHBondContact O-CG 3.26Å; L60-L64 PolarHBondContact O-N 3.35Å |
| 61 | M | 76.5 | Confident | 72.5 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 3% | 0.034 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | -178.1 | -68.3 | -51.6 | -66.1 | 0 | 0 | 112.2 | H57 D58 E59 M63 L64 L65 L205 Y401 | H57-M61 WeakPolarHBondContact O-CB 3.46Å; H57-M61 WeakPolarHBondContact O-CG 3.36Å; H57-M61 PolarHBondContact O-N 2.91Å; D58-M61 PolarHBondContact O-N 3.37Å; E59-M61 VanDerWaalsContact C-N 3.3Å; E59-M61 PolarHBondContact O-N 3.2Å; M61-M63 VanDerWaalsContact C-N 3.33Å; M61-L64 PolarHBondContact O-N 3.2Å; M61-L64 HydrophobicContact SD-CD1 4.5Å; M61-L65 WeakPolarHBondContact O-CB 3.25Å; M61-L65 PolarHBondContact O-N 3.5Å; M61-L205 HydrophobicContact CE-CD1 3.6Å; M61-L205 HydrophobicContact CE-CD2 3.34Å; M61-L205 HydrophobicContact CE-CG 4.14Å; M61-L205 HydrophobicContact SD-CD1 4.49Å; M61-L205 HydrophobicContact SD-CD2 3.34Å; M61-L205 WeakPolarHBondContact SD-CD2 3.34Å; M61-Y401 HydrophobicContact CB-CE1 4.07Å; M61-Y401 VanDerWaalsContact CB-OH 3.27Å; M61-Y401 WeakPolarHBondContact CB-OH 3.29Å; M61-Y401 HydrophobicContact CE-CD1 3.94Å; M61-Y401 HydrophobicContact CE-CD2 3.94Å; M61-Y401 HydrophobicContact CE-CE1 3.37Å; M61-Y401 HydrophobicContact CE-CE2 3.37Å; M61-Y401 HydrophobicContact CE-CG 4.23Å; M61-Y401 WeakPolarHBondContact CE-OH 3.3Å |
| 62 | N | 80.4 | Confident | 74.3 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 52% | 0.519 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 174.7 | -76 | -40.9 | 0 | 0 | 0 | 111.8 | D58 E59 L60 L65 Q66 | D58-N62 WeakPolarHBondContact O-CB 3.31Å; D58-N62 VanDerWaalsContact O-CG 3.23Å; D58-N62 PolarHBondContact O-N 2.85Å; D58-N62 PolarHBondContact O-ND2 2.8Å; E59-N62 PolarHBondContact O-N 3.24Å; L60-N62 VanDerWaalsContact C-N 3.34Å; L60-N62 PolarHBondContact O-N 3.47Å; N62-L65 PolarHBondContact O-N 2.83Å; N62-Q66 WeakPolarHBondContact O-CB 3.42Å; N62-Q66 PolarHBondContact O-N 2.89Å |
| 63 | M | 82.9 | Confident | 75.8 | Confident | 80 Ų | 80 | 64 Ų | 64 | 39% | 0.394 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 175.1 | -175 | -169 | -60.4 | 0 | 0 | 111.5 | E59 L60 M61 L65 Q66 E67 | E59-M63 PolarHBondContact O-N 3.46Å; L60-M63 WeakPolarHBondContact O-CB 3.45Å; L60-M63 PolarHBondContact O-N 3.22Å; M61-M63 VanDerWaalsContact C-N 3.33Å; M63-L65 VanDerWaalsContact C-N 3.34Å; M63-L65 PolarHBondContact O-N 3.02Å; M63-Q66 PolarHBondContact O-N 3.42Å; M63-E67 WeakPolarHBondContact O-CB 2.92Å; M63-E67 PolarHBondContact O-N 3.15Å |
| 64 | L | 82.2 | Confident | 76.8 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 178.9 | -67.8 | 176.3 | 0 | 0 | 0 | 112 | L60 M61 A68 R200 I201 E204 | L60-L64 HydrophobicContact CD1-CD1 4.21Å; L60-L64 HydrophobicContact CD1-CG 4.12Å; L60-L64 HydrophobicContact CG-CD1 4.22Å; L60-L64 WeakPolarHBondContact O-CG 3.26Å; L60-L64 PolarHBondContact O-N 3.35Å; M61-L64 PolarHBondContact O-N 3.2Å; M61-L64 HydrophobicContact SD-CD1 4.5Å; L64-A68 WeakPolarHBondContact O-CB 3.41Å; L64-A68 PolarHBondContact O-N 3.07Å; L64-R200 HydrophobicContact CD2-CG 4.4Å; L64-I201 HydrophobicContact CB-CG1 4.3Å; L64-I201 HydrophobicContact CD2-CG1 3.99Å; L64-E204 HydrophobicContact CD1-CB 4.17Å; L64-E204 HydrophobicContact CD1-CG 4.32Å |
| 65 | L | 82 | Confident | 77.2 | Confident | 32 Ų | 32 | 63.2 Ų | 63.2 | 17% | 0.168 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 177.1 | -178.5 | 60.1 | 0 | 0 | 0 | 111.8 | M61 N62 M63 A68 N69 Y401 A403 | M61-L65 WeakPolarHBondContact O-CB 3.25Å; M61-L65 PolarHBondContact O-N 3.5Å; N62-L65 PolarHBondContact O-N 2.83Å; M63-L65 VanDerWaalsContact C-N 3.34Å; M63-L65 PolarHBondContact O-N 3.02Å; L65-A68 PolarHBondContact O-N 2.95Å; L65-N69 PolarHBondContact O-N 3.11Å; L65-N69 PolarHBondContact O-ND2 3.19Å; L65-Y401 HydrophobicContact CB-CD1 4.28Å; L65-Y401 HydrophobicContact CB-CE1 4.31Å; L65-Y401 HydrophobicContact CD1-CD1 4.27Å; L65-Y401 HydrophobicContact CD2-CD1 4.49Å; L65-Y401 HydrophobicContact CD2-CE1 4.44Å; L65-A403 HydrophobicContact CD1-CB 4.1Å |
| 66 | Q | 84.2 | Confident | 77.1 | Confident | 138 Ų | 138 | 63.6 Ų | 63.6 | 65% | 0.645 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 177.2 | -174.7 | 174.4 | 0.4 | 0 | 0 | 111.3 | N62 M63 N69 V70 | N62-Q66 WeakPolarHBondContact O-CB 3.42Å; N62-Q66 PolarHBondContact O-N 2.89Å; M63-Q66 PolarHBondContact O-N 3.42Å; Q66-N69 PolarHBondContact O-N 3.04Å; Q66-V70 WeakPolarHBondContact O-CG2 3.5Å; Q66-V70 PolarHBondContact O-N 2.92Å |
| 67 | E | 83.9 | Confident | 76.5 | Confident | 70 Ų | 70 | 66 Ų | 66 | 33% | 0.327 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 175.3 | -177.3 | 172.4 | -159.4 | 0 | 0 | 111.3 | M63 N69 V70 L71 A197 | M63-E67 WeakPolarHBondContact O-CB 2.92Å; M63-E67 PolarHBondContact O-N 3.15Å; E67-N69 PolarHBondContact O-N 2.7Å; E67-V70 PolarHBondContact O-N 3.44Å; E67-L71 HydrophobicContact CG-CD1 3.86Å; E67-L71 HydrophobicContact CG-CG 4.44Å; E67-L71 WeakPolarHBondContact O-CG 3.37Å; E67-L71 PolarHBondContact O-N 3.43Å; E67-A197 HydrophobicContact CG-CB 4.31Å |
| 68 | A | 82.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L64 L65 V70 L71 L72 I201 A403 L407 | L64-A68 WeakPolarHBondContact O-CB 3.41Å; L64-A68 PolarHBondContact O-N 3.07Å; L65-A68 PolarHBondContact O-N 2.95Å; A68-V70 PolarHBondContact O-N 3.02Å; A68-L71 PolarHBondContact O-N 3.45Å; A68-L72 WeakPolarHBondContact O-CB 3.33Å; A68-L72 WeakPolarHBondContact O-CG 3.41Å; A68-L72 PolarHBondContact O-N 3.1Å; A68-I201 HydrophobicContact CB-CD1 4.1Å; A68-A403 HydrophobicContact CB-CB 4.35Å; A68-L407 HydrophobicContact CB-CB 4.5Å; A68-L407 HydrophobicContact CB-CD2 4.23Å |
| 69 | N | 84.4 | Confident | 74.6 | Confident | 70 Ų | 70 | 67.3 Ų | 67.3 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 176.8 | -77.2 | -45 | 0 | 0 | 0 | 112 | L65 Q66 E67 L71 L72 L73 A403 | L65-N69 PolarHBondContact O-N 3.11Å; L65-N69 PolarHBondContact O-ND2 3.19Å; Q66-N69 PolarHBondContact O-N 3.04Å; E67-N69 PolarHBondContact O-N 2.7Å; N69-L71 PolarHBondContact O-N 3.23Å; N69-L72 PolarHBondContact O-N 3.27Å; N69-L73 WeakPolarHBondContact O-CB 3.5Å; N69-L73 VanDerWaalsContact O-CG 3.22Å; N69-L73 WeakPolarHBondContact O-CG 3.13Å; N69-L73 PolarHBondContact O-N 2.65Å; N69-A403 WeakPolarHBondContact OD1-CB 2.87Å |
| 70 | V | 84.2 | Confident | 72.4 | Confident | 69 Ų | 69 | 65 Ų | 65 | 42% | 0.418 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 178.1 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | Q66 E67 A68 L73 Q74 | Q66-V70 WeakPolarHBondContact O-CG2 3.5Å; Q66-V70 PolarHBondContact O-N 2.92Å; E67-V70 PolarHBondContact O-N 3.44Å; A68-V70 PolarHBondContact O-N 3.02Å; V70-L73 PolarHBondContact O-N 3.48Å; V70-Q74 WeakPolarHBondContact O-CG 3.36Å; V70-Q74 PolarHBondContact O-N 2.89Å |
| 71 | L | 82.7 | Confident | 70.2 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 9% | 0.089 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -72.2 | -29.6 | -177.7 | -67.3 | 173.8 | 0 | 0 | 0 | 113.5 | E67 A68 N69 K194 A197 L407 | E67-L71 HydrophobicContact CG-CD1 3.86Å; E67-L71 HydrophobicContact CG-CG 4.44Å; E67-L71 WeakPolarHBondContact O-CG 3.37Å; E67-L71 PolarHBondContact O-N 3.43Å; A68-L71 PolarHBondContact O-N 3.45Å; N69-L71 PolarHBondContact O-N 3.23Å; L71-K194 HydrophobicContact CB-CG 4.46Å; L71-K194 HydrophobicContact CD2-CG 4.16Å; L71-A197 HydrophobicContact CD1-CB 3.46Å; L71-A197 VanDerWaalsContact CD1-CB 3.46Å; L71-L407 HydrophobicContact CB-CD1 4.15Å; L71-L407 HydrophobicContact CB-CD2 4.41Å; L71-L407 HydrophobicContact CD1-CD2 3.9Å |
| 72 | L | 79 | Confident | 68.1 | Low | 24 Ų | 24 | 76.5 Ų | 76.5 | 13% | 0.126 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -72.6 | -45.1 | 172.6 | -73 | 178.3 | 0 | 0 | 0 | 111.5 | A68 N69 Q74 D75 A403 L407 | A68-L72 WeakPolarHBondContact O-CB 3.33Å; A68-L72 WeakPolarHBondContact O-CG 3.41Å; A68-L72 PolarHBondContact O-N 3.1Å; N69-L72 PolarHBondContact O-N 3.27Å; L72-Q74 VanDerWaalsContact C-N 3.35Å; L72-Q74 PolarHBondContact O-N 2.91Å; L72-D75 VanDerWaalsContact O-CB 3.28Å; L72-D75 WeakPolarHBondContact O-CB 3.38Å; L72-D75 PolarHBondContact O-N 3.03Å; L72-D75 VanDerWaalsContact O-N 3.12Å; L72-A403 HydrophobicContact CD1-CB 3.93Å; L72-A403 WeakPolarHBondContact CD1-O 3.42Å; L72-L407 HydrophobicContact CD2-CB 4.45Å; L72-L407 HydrophobicContact CD2-CD1 4.18Å; L72-L407 HydrophobicContact CG-CD1 4.49Å |
| 73 | L | 77.8 | Confident | 65.7 | Low | 94 Ų | 94 | 76.6 Ų | 76.6 | 49% | 0.492 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.5 | -33.1 | -179.6 | -72.6 | 171.3 | 0 | 0 | 0 | 113.8 | N69 V70 D75 E76 L77 | N69-L73 WeakPolarHBondContact O-CB 3.5Å; N69-L73 VanDerWaalsContact O-CG 3.22Å; N69-L73 WeakPolarHBondContact O-CG 3.13Å; N69-L73 PolarHBondContact O-N 2.65Å; V70-L73 PolarHBondContact O-N 3.48Å; L73-D75 PolarHBondContact O-N 2.83Å; L73-E76 PolarHBondContact O-N 3.22Å; L73-L77 PolarHBondContact O-N 3.36Å |
| 74 | Q | 72.6 | Confident | 63.1 | Low | 98 Ų | 98 | 77.7 Ų | 77.7 | 46% | 0.458 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.9 | -28 | 174.8 | -78.1 | 176 | 5 | 0 | 0 | 112.7 | V70 L72 S78 | V70-Q74 WeakPolarHBondContact O-CG 3.36Å; V70-Q74 PolarHBondContact O-N 2.89Å; L72-Q74 VanDerWaalsContact C-N 3.35Å; L72-Q74 PolarHBondContact O-N 2.91Å; Q74-S78 WeakPolarHBondContact O-CB 3.46Å; Q74-S78 PolarHBondContact O-N 3.28Å; Q74-S78 PolarHBondContact O-OG 2.86Å |
| 75 | D | 63 | Low | 60.4 | Low | 58 Ų | 58 | 85.9 Ų | 85.9 | 31% | 0.31 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -75.7 | -44 | 177.9 | -138.9 | 49.3 | 0 | 0 | 0 | 111.1 | L72 L73 L77 S78 S79 K194 R410 | L72-D75 VanDerWaalsContact O-CB 3.28Å; L72-D75 WeakPolarHBondContact O-CB 3.38Å; L72-D75 PolarHBondContact O-N 3.03Å; L72-D75 VanDerWaalsContact O-N 3.12Å; L73-D75 PolarHBondContact O-N 2.83Å; D75-L77 VanDerWaalsContact C-N 3.28Å; D75-L77 PolarHBondContact O-N 3.42Å; D75-S78 CarbonylContact O-C 3.59Å; D75-S78 WeakPolarHBondContact O-CA 3.47Å; D75-S78 PolarHBondContact O-N 3.46Å; D75-S79 WeakPolarHBondContact O-CB 3.47Å; D75-S79 PolarHBondContact O-N 2.88Å; D75-S79 PolarHBondContact O-OG 3.29Å; D75-S79 VanDerWaalsContact O-OG 3.05Å; D75-K194 IonicContact OD1-NZ 3.61Å; D75-K194 PolarHBondContact OD1-NZ 2.86Å; D75-R410 IonicContact OD2-CZ 2.91Å; D75-R410 IonicContact OD2-NH1 2.62Å; D75-R410 PolarHBondContact OD2-NH1 2.94Å |
| 76 | E | 59.9 | Low | 57.6 | Low | 105 Ų | 105 | 87.2 Ų | 87.2 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.2 | -38.2 | 178 | -63 | -175.1 | 166.1 | 0 | 0 | 112.1 | L73 S78 G80 | L73-E76 PolarHBondContact O-N 3.22Å; E76-S78 VanDerWaalsContact C-N 3.31Å; E76-G80 PolarHBondContact O-N 3.5Å |
| 77 | L | 55.4 | Low | 54.9 | Low | 152 Ų | 152 | 90.7 Ų | 90.7 | 80% | 0.796 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.8 | -27.3 | 174.9 | -69.7 | 171.3 | 0 | 0 | 0 | 112.9 | L73 D75 | L73-L77 PolarHBondContact O-N 3.36Å; D75-L77 VanDerWaalsContact C-N 3.28Å; D75-L77 PolarHBondContact O-N 3.42Å |
| 78 | S | 53.1 | Low | 52.1 | Low | 104 Ų | 104 | 93.6 Ų | 93.6 | 73% | 0.727 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -88.1 | -28.9 | 179.5 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | Q74 D75 E76 G80 | Q74-S78 WeakPolarHBondContact O-CB 3.46Å; Q74-S78 PolarHBondContact O-N 3.28Å; Q74-S78 PolarHBondContact O-OG 2.86Å; D75-S78 CarbonylContact O-C 3.59Å; D75-S78 WeakPolarHBondContact O-CA 3.47Å; D75-S78 PolarHBondContact O-N 3.46Å; E76-S78 VanDerWaalsContact C-N 3.31Å; S78-G80 VanDerWaalsContact C-N 3.34Å |
| 79 | S | 46.8 | Very low | 49.4 | Very low | 86 Ų | 86 | 102.4 Ų | 102.4 | 60% | 0.601 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -90.9 | 6.1 | 178 | 69.4 | 0 | 0 | 0 | 0 | 113.3 | D75 D81 | D75-S79 WeakPolarHBondContact O-CB 3.47Å; D75-S79 PolarHBondContact O-N 2.88Å; D75-S79 PolarHBondContact O-OG 3.29Å; D75-S79 VanDerWaalsContact O-OG 3.05Å; S79-D81 PolarHBondContact O-N 2.68Å |
| 80 | G | 32.1 | Very low | 46.5 | Very low | 54 Ų | 54 | 109.3 Ų | 109.3 | 56% | 0.557 | 61% | 0.612 | S | S | * | * | trans | -63.2 | 89.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E76 S78 | E76-G80 PolarHBondContact O-N 3.5Å; S78-G80 VanDerWaalsContact C-N 3.34Å | ||
| 81 | D | 28.7 | Very low | 43.7 | Very low | 127 Ų | 127 | 113.5 Ų | 113.5 | 68% | 0.679 | 63% | 0.631 | S | S | * | * | trans | -68.4 | 121.2 | 157.4 | -155.7 | -4.9 | 0 | 0 | 0 | 107.3 | S79 S83 | S79-D81 PolarHBondContact O-N 2.68Å; D81-S83 PolarHBondContact O-N 2.68Å | ||
| 82 | P | 32.8 | Very low | 41 | Very low | 132 Ų | 132 | 120.9 Ų | 120.9 | 86% | 0.857 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -74.7 | 29.7 | -168.4 | 23.3 | -24.9 | 0 | 0 | 0 | 114.7 | ||
| 83 | S | 30.9 | Very low | 38.3 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | trans | -130.9 | 61.7 | 179.8 | 64 | 0 | 0 | 0 | 0 | 113.2 | D81 | D81-S83 PolarHBondContact O-N 2.68Š| ||
| 84 | S | 28.2 | Very low | 35.8 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | trans | -152.6 | 73.3 | 163.3 | 173.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 85 | D | 24.1 | Very low | 33.4 | Very low | 173 Ų | 173 | 129.6 Ų | 129.6 | 93% | 0.925 | 74% | 0.735 | S | S | * | * | trans | -81.9 | 122.2 | 167.4 | -156.4 | 9.6 | 0 | 0 | 0 | 108.6 | ||||
| 86 | G | 23.8 | Very low | 31.8 | Very low | 60 Ų | 60 | 130.3 Ų | 130.3 | 62% | 0.619 | 76% | 0.756 | S | S | * | * | trans | 78 | 98.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 87 | F | 28 | Very low | 30 | Very low | 211 Ų | 211 | 133.6 Ų | 133.6 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -130.4 | 126.2 | 153.3 | -109.8 | -90.4 | 0 | 0 | 0 | 111.8 | ||||
| 88 | D | 24.3 | Very low | 28.7 | Very low | 130 Ų | 130 | 130 Ų | 130 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | trans | -76.2 | 133.3 | -162.2 | -158.7 | -4.9 | 0 | 0 | 0 | 112.4 | R90 | D88-R90 PolarHBondContact O-N 2.86Å; D88-R90 VanDerWaalsContact O-N 3.13Å | ||
| 89 | Q | 25.6 | Very low | 27.4 | Very low | 186 Ų | 186 | 128.1 Ų | 128.1 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -73.8 | 95.2 | 175.2 | -84 | 173.3 | -4.8 | 0 | 0 | 110 | ||||
| 90 | R | 23.3 | Very low | 26.6 | Very low | 214 Ų | 214 | 131.5 Ų | 131.5 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -127.6 | 93.5 | 161.3 | -76.3 | -172.5 | 168.9 | 158.9 | -0.6 | 111.4 | D88 L92 | D88-R90 PolarHBondContact O-N 2.86Å; D88-R90 VanDerWaalsContact O-N 3.13Å; R90-L92 PolarHBondContact O-N 3.01Å | ||
| 91 | L | 25.2 | Very low | 26.7 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -39.6 | 118.5 | 159.8 | -108.1 | 77.5 | 0 | 0 | 0 | 110.7 | V93 | L91-V93 HydrophobicContact CD2-CG2 4.23Š| ||
| 92 | L | 26.5 | Very low | 27.1 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | trans | -106.4 | 104.4 | 154.3 | -77.3 | 173.2 | 0 | 0 | 0 | 107.8 | R90 G94 | R90-L92 PolarHBondContact O-N 3.01Å; L92-G94 VanDerWaalsContact C-N 3.35Å; L92-G94 PolarHBondContact O-N 3.08Å | ||
| 93 | V | 22.8 | Very low | 26.8 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 76% | 0.758 | 76% | 0.762 | S | S | * | * | trans | -71 | 91.9 | 168.4 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | L91 | L91-V93 HydrophobicContact CD2-CG2 4.23Š| ||
| 94 | G | 25.3 | Very low | 26.5 | Very low | 72 Ų | 72 | 131.6 Ų | 131.6 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | -93.3 | 103.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L92 G96 | L92-G94 VanDerWaalsContact C-N 3.35Å; L92-G94 PolarHBondContact O-N 3.08Å; G94-G96 PolarHBondContact O-N 3.13Å | ||
| 95 | Q | 22.5 | Very low | 26.3 | Very low | 202 Ų | 202 | 130 Ų | 130 | 94% | 0.944 | 77% | 0.77 | S | S | * | * | trans | -68 | 114.1 | 159 | -79.3 | -175 | -43.3 | 0 | 0 | 108 | ||||
| 96 | G | 27.9 | Very low | 26.4 | Very low | 73 Ų | 73 | 128.9 Ų | 128.9 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -147.5 | 119.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.6 | G94 | G94-G96 PolarHBondContact O-N 3.13Š| ||
| 97 | N | 23.8 | Very low | 26.3 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | trans | -56.3 | 131.2 | -175.1 | -88.1 | -19.2 | 0 | 0 | 0 | 114.1 | ||||
| 98 | G | 26.4 | Very low | 26.2 | Very low | 75 Ų | 75 | 132.8 Ų | 132.8 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 4.5 | 117.9 | 141.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 99 | G | 25.8 | Very low | 26.1 | Very low | 66 Ų | 66 | 135.1 Ų | 135.1 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | trans | 79.7 | 111.9 | 143.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 100 | L | 30.2 | Very low | 26.2 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | 169 | 85.1 | 146.2 | -92.9 | 151.7 | 0 | 0 | 0 | 108.8 | ||||
| 101 | L | 34.9 | Very low | 26.4 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 49% | 0.492 | 78% | 0.78 | S | S | . | * | S | Bend | trans | -123.5 | -6.4 | 155.9 | -156.1 | 75.7 | 0 | 0 | 0 | 113.2 | V162 | L101-V162 HydrophobicContact CD2-CG1 3.49Å; L101-V162 VanDerWaalsContact CD2-CG1 3.49Å; L101-V162 HydrophobicContact CD2-CG2 4.34Å |
| 102 | L | 37.9 | Very low | 26.9 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 46% | 0.455 | 78% | 0.781 | S | S | . | * | S | Bend | trans | -133.4 | 91.9 | 172.7 | -65.6 | 173.1 | 0 | 0 | 0 | 107.4 | L104 Q383 | L102-L104 PolarHBondContact O-N 2.99Å; L102-Q383 HydrophobicContact CD1-CG 4.46Å |
| 103 | G | 25.5 | Very low | 27.4 | Very low | 66 Ų | 66 | 132.3 Ų | 132.3 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | trans | -53.1 | 100.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 104 | L | 25.4 | Very low | 28.9 | Very low | 167 Ų | 167 | 129.3 Ų | 129.3 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -113.8 | 95.9 | 155.5 | -69.1 | 178.8 | 0 | 0 | 0 | 106.8 | L102 | L102-L104 PolarHBondContact O-N 2.99Š| ||
| 105 | G | 23.5 | Very low | 31.6 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 85.5 | 96.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 106 | V | 26.2 | Very low | 34.8 | Very low | 150 Ų | 150 | 119.5 Ų | 119.5 | 91% | 0.909 | 70% | 0.704 | S | S | * | * | 161.4 | 135.7 | 119.9 | 166.1 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 107 | Q | 21.7 | Very low | 37.8 | Very low | 178 Ų | 178 | 116.7 Ų | 116.7 | 83% | 0.832 | 68% | 0.675 | S | S | * | * | trans | -62.7 | 156.2 | -171.9 | -74 | 163.3 | -38.8 | 0 | 0 | 114.7 | ||||
| 108 | E | 24.6 | Very low | 41.1 | Very low | 176 Ų | 176 | 112.9 Ų | 112.9 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | trans | 70.9 | 94.8 | 147 | -122.9 | 165.9 | -167.9 | 0 | 0 | 117.7 | ||||
| 109 | E | 23.6 | Very low | 44.4 | Very low | 179 Ų | 179 | 109.8 Ų | 109.8 | 84% | 0.836 | 62% | 0.621 | S | S | * | * | 163.9 | 147.5 | 108.5 | -85.9 | -174.2 | 168.1 | 0 | 0 | 111.9 | |||||
| 110 | V | 28.2 | Very low | 47.8 | Very low | 137 Ų | 137 | 106.8 Ų | 106.8 | 83% | 0.83 | 59% | 0.589 | S | S | * | * | trans | 92.1 | 108.9 | 164.1 | -162.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 111 | M | 26.6 | Very low | 50.9 | Low | 168 Ų | 168 | 100 Ų | 100 | 83% | 0.828 | 55% | 0.554 | S | S | * | * | trans | -58.1 | 142.6 | 161.2 | -76.1 | 162.6 | 34.4 | 0 | 0 | 113.3 | ||||
| 112 | E | 34.7 | Very low | 53.9 | Low | 180 Ų | 180 | 97.1 Ų | 97.1 | 84% | 0.841 | 54% | 0.544 | S | S | * | . | trans | 127.3 | 133.4 | 154.5 | -75.5 | -173.7 | 157.7 | 0 | 0 | 111.8 | ||||
| 113 | E | 38.5 | Very low | 56.7 | Low | 185 Ų | 185 | 93 Ų | 93 | 86% | 0.864 | 52% | 0.523 | S | S | * | . | trans | 79 | 104 | -171 | -51.7 | -176.6 | 176.4 | 0 | 0 | 114.4 | S115 | E113-S115 PolarHBondContact O-N 3.18Å; E113-S115 VanDerWaalsContact O-N 3.07Å | ||
| 114 | S | 53.5 | Low | 60.1 | Low | 63 Ų | 63 | 89.9 Ų | 89.9 | 44% | 0.441 | 49% | 0.49 | S | S | . | . | trans | -52 | 118.9 | 156.8 | -46.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 115 | S | 81.7 | Confident | 63.5 | Low | 44 Ų | 44 | 88.7 Ų | 88.7 | 31% | 0.308 | 47% | 0.474 | S | S | . | . | trans | -55.1 | 149.4 | 178.8 | 70.5 | 0 | 0 | 0 | 0 | 108.6 | E113 G117 D118 L119 | E113-S115 PolarHBondContact O-N 3.18Å; E113-S115 VanDerWaalsContact O-N 3.07Å; S115-G117 PolarHBondContact O-N 3.15Å; S115-D118 WeakPolarHBondContact CB-OD2 3.3Å; S115-D118 PolarHBondContact N-OD2 3.24Å; S115-D118 VanDerWaalsContact N-OD2 3.13Å; S115-D118 WeakPolarHBondContact O-CA 3.42Å; S115-D118 WeakPolarHBondContact O-CB 3.39Å; S115-D118 PolarHBondContact O-N 3.01Å; S115-D118 PolarHBondContact OG-N 2.59Å; S115-D118 PolarHBondContact OG-OD2 3.11Å; S115-L119 PolarHBondContact O-N 3.25Å; S115-L119 VanDerWaalsContact O-N 3.14Å | ||
| 116 | L | 89.7 | Confident | 67.1 | Low | 23 Ų | 23 | 85.8 Ų | 85.8 | 12% | 0.12 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -51.5 | -33.9 | 177.3 | -178.3 | 58.1 | 0 | 0 | 0 | 111.6 | L119 L120 I142 I146 V162 A166 | L116-L119 PolarHBondContact O-N 2.87Å; L116-L120 HydrophobicContact CG-CD1 4.48Å; L116-L120 VanDerWaalsContact O-CG 3.31Å; L116-L120 WeakPolarHBondContact O-CG 3.2Å; L116-L120 PolarHBondContact O-N 3.45Å; L116-I142 HydrophobicContact CD1-CG1 4.32Å; L116-I142 HydrophobicContact CD1-CG2 4.12Å; L116-I146 HydrophobicContact CD1-CD1 4.41Å; L116-I146 HydrophobicContact CD1-CG1 4.45Å; L116-I146 HydrophobicContact CD2-CG1 4.41Å; L116-V162 HydrophobicContact CD2-CG1 4.49Å; L116-A166 HydrophobicContact CD1-CB 4.21Å; L116-A166 HydrophobicContact CD2-CB 3.43Å; L116-A166 VanDerWaalsContact CD2-CB 3.43Å; L116-A166 HydrophobicContact CG-CB 3.82Å |
| 117 | G | 91.1 | Very high | 70.4 | Confident | 14 Ų | 14 | 79.5 Ų | 79.5 | 14% | 0.144 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62 | -42.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114 | S115 L119 L120 V121 | S115-G117 PolarHBondContact O-N 3.15Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 3.42Å; G117-L120 PolarHBondContact O-N 3.41Å; G117-V121 VanDerWaalsContact O-CG2 3.29Å; G117-V121 WeakPolarHBondContact O-CG2 3.28Å; G117-V121 PolarHBondContact O-N 2.83Å |
| 118 | D | 93.2 | Very high | 73.8 | Confident | 94 Ų | 94 | 74.7 Ų | 74.7 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 176.6 | -64.3 | -45.6 | 0 | 0 | 0 | 112 | S115 V121 A122 | S115-D118 WeakPolarHBondContact CB-OD2 3.3Å; S115-D118 PolarHBondContact N-OD2 3.24Å; S115-D118 VanDerWaalsContact N-OD2 3.13Å; S115-D118 WeakPolarHBondContact O-CA 3.42Å; S115-D118 WeakPolarHBondContact O-CB 3.39Å; S115-D118 PolarHBondContact O-N 3.01Å; S115-D118 PolarHBondContact OG-N 2.59Å; S115-D118 PolarHBondContact OG-OD2 3.11Å; D118-V121 PolarHBondContact O-N 2.7Å; D118-A122 VanDerWaalsContact O-CB 3.27Å; D118-A122 WeakPolarHBondContact O-CB 3.35Å; D118-A122 PolarHBondContact O-N 3.35Å |
| 119 | L | 95.4 | Very high | 77.1 | Confident | 11 Ų | 11 | 70.2 Ų | 70.2 | 6% | 0.058 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 174.6 | -71.2 | 174.9 | 0 | 0 | 0 | 111.4 | S115 L116 G117 V121 A122 G123 I138 R141 I142 I145 | S115-L119 PolarHBondContact O-N 3.25Å; S115-L119 VanDerWaalsContact O-N 3.14Å; L116-L119 PolarHBondContact O-N 2.87Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 3.42Å; L119-V121 PolarHBondContact O-N 2.89Å; L119-A122 PolarHBondContact O-N 3.49Å; L119-G123 PolarHBondContact O-N 2.93Å; L119-I138 HydrophobicContact CB-CG2 4.47Å; L119-I138 WeakPolarHBondContact O-CG2 3.2Å; L119-R141 HydrophobicContact CD1-CG 4.25Å; L119-I142 HydrophobicContact CB-CD1 4.23Å; L119-I142 HydrophobicContact CB-CG1 3.93Å; L119-I142 HydrophobicContact CD1-CG1 4.43Å; L119-I145 HydrophobicContact CD1-CD1 3.31Å |
| 120 | L | 96.8 | Very high | 80.5 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 176.5 | -72.9 | 167.1 | 0 | 0 | 0 | 111.6 | L116 G117 G123 A124 I142 A166 F169 A170 F378 L382 | L116-L120 HydrophobicContact CG-CD1 4.48Å; L116-L120 VanDerWaalsContact O-CG 3.31Å; L116-L120 WeakPolarHBondContact O-CG 3.2Å; L116-L120 PolarHBondContact O-N 3.45Å; G117-L120 PolarHBondContact O-N 3.41Å; L120-G123 PolarHBondContact O-N 3.05Å; L120-A124 PolarHBondContact O-N 3.38Å; L120-I142 HydrophobicContact CD2-CD1 3.82Å; L120-I142 HydrophobicContact CG-CD1 4.25Å; L120-A166 HydrophobicContact CD1-CB 3.88Å; L120-F169 HydrophobicContact CD1-CB 4.47Å; L120-F169 HydrophobicContact CD2-CB 3.87Å; L120-A170 HydrophobicContact CD2-CB 4.49Å; L120-F378 HydrophobicContact CB-CE1 3.83Å; L120-F378 HydrophobicContact CB-CZ 4.01Å; L120-F378 HydrophobicContact CD2-CZ 4.48Å; L120-F378 WeakPolarHBondContact O-CE1 3.41Å; L120-L382 HydrophobicContact CD1-CD1 4.08Å |
| 121 | V | 96.6 | Very high | 83.7 | Confident | 13 Ų | 13 | 68.7 Ų | 68.7 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 177.7 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | G117 D118 L119 G123 A124 R125 F378 L382 | G117-V121 VanDerWaalsContact O-CG2 3.29Å; G117-V121 WeakPolarHBondContact O-CG2 3.28Å; G117-V121 PolarHBondContact O-N 2.83Å; D118-V121 PolarHBondContact O-N 2.7Å; L119-V121 PolarHBondContact O-N 2.89Å; V121-G123 VanDerWaalsContact C-N 3.35Å; V121-A124 PolarHBondContact O-N 2.94Å; V121-R125 WeakPolarHBondContact O-CG 3.34Å; V121-R125 PolarHBondContact O-N 2.88Å; V121-F378 HydrophobicContact CG2-CD1 4.42Å; V121-L382 HydrophobicContact CG2-CD2 4.35Å |
| 122 | A | 97.1 | Very high | 87 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 28% | 0.281 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D118 L119 R125 A126 I138 | D118-A122 VanDerWaalsContact O-CB 3.27Å; D118-A122 WeakPolarHBondContact O-CB 3.35Å; D118-A122 PolarHBondContact O-N 3.35Å; L119-A122 PolarHBondContact O-N 3.49Å; A122-R125 PolarHBondContact O-N 3.39Å; A122-A126 PolarHBondContact O-N 3.41Å; A122-I138 HydrophobicContact CB-CD1 3.96Å |
| 123 | G | 97.4 | Very high | 90 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.9 | -47 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L119 L120 V121 R125 A126 V127 | L119-G123 PolarHBondContact O-N 2.93Å; L120-G123 PolarHBondContact O-N 3.05Å; V121-G123 VanDerWaalsContact C-N 3.35Å; G123-R125 VanDerWaalsContact C-N 3.34Å; G123-R125 PolarHBondContact O-N 3.44Å; G123-A126 PolarHBondContact O-N 3.48Å; G123-V127 WeakPolarHBondContact O-CG2 3.45Å; G123-V127 PolarHBondContact O-N 2.92Å |
| 124 | A | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L120 V121 V127 E128 L173 F374 F378 | L120-A124 PolarHBondContact O-N 3.38Å; V121-A124 PolarHBondContact O-N 2.94Å; A124-V127 PolarHBondContact O-N 2.93Å; A124-E128 WeakPolarHBondContact O-CB 3.35Å; A124-E128 PolarHBondContact O-N 3.39Å; A124-L173 HydrophobicContact CB-CD2 4.08Å; A124-F374 HydrophobicContact CB-CD1 4.44Å; A124-F374 HydrophobicContact CB-CE1 3.93Å; A124-F374 WeakPolarHBondContact O-CD1 3.41Å; A124-F378 HydrophobicContact CB-CB 3.8Å; A124-F378 HydrophobicContact CB-CD1 3.56Å; A124-F378 HydrophobicContact CB-CD2 3.68Å; A124-F378 HydrophobicContact CB-CE1 4Å; A124-F378 HydrophobicContact CB-CE2 4.09Å; A124-F378 HydrophobicContact CB-CG 3.38Å; A124-F378 HydrophobicContact CB-CZ 4.24Å |
| 125 | R | 97.6 | Very high | 94.8 | Very high | 141 Ų | 141 | 53 Ų | 53 | 53% | 0.532 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 174.5 | -72.9 | 173.1 | 177.1 | 158 | -0.2 | 112.3 | V121 A122 G123 E128 S129 A375 | V121-R125 WeakPolarHBondContact O-CG 3.34Å; V121-R125 PolarHBondContact O-N 2.88Å; A122-R125 PolarHBondContact O-N 3.39Å; G123-R125 VanDerWaalsContact C-N 3.34Å; G123-R125 PolarHBondContact O-N 3.44Å; R125-E128 WeakPolarHBondContact O-CB 3.42Å; R125-E128 PolarHBondContact O-N 3.5Å; R125-S129 PolarHBondContact O-N 3.07Å; R125-S129 PolarHBondContact O-OG 2.69Å; R125-A375 HydrophobicContact CG-CB 3.65Å |
| 126 | A | 97.6 | Very high | 95.5 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | A122 G123 S129 R130 D131 A135 I138 | A122-A126 PolarHBondContact O-N 3.41Å; G123-A126 PolarHBondContact O-N 3.48Å; A126-S129 PolarHBondContact O-N 3.5Å; A126-S129 PolarHBondContact O-OG 2.87Å; A126-S129 VanDerWaalsContact O-OG 3.08Å; A126-R130 PolarHBondContact O-N 3.48Å; A126-R130 VanDerWaalsContact O-N 3.15Å; A126-D131 PolarHBondContact O-N 2.91Å; A126-A135 HydrophobicContact CB-CB 3.82Å; A126-I138 HydrophobicContact CB-CD1 4.38Å |
| 127 | V | 95.3 | Very high | 95.9 | Very high | 18 Ų | 18 | 55.3 Ų | 55.3 | 11% | 0.109 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 173.6 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | G123 A124 S129 R130 A135 L173 R176 M177 F374 | G123-V127 WeakPolarHBondContact O-CG2 3.45Å; G123-V127 PolarHBondContact O-N 2.92Å; A124-V127 PolarHBondContact O-N 2.93Å; V127-S129 PolarHBondContact O-N 3.3Å; V127-R130 PolarHBondContact O-N 3.38Å; V127-R130 VanDerWaalsContact O-N 3.11Å; V127-A135 HydrophobicContact CG2-CB 3.87Å; V127-L173 HydrophobicContact CB-CD2 4.37Å; V127-L173 HydrophobicContact CG2-CD2 4.06Å; V127-R176 HydrophobicContact CG1-CB 4.33Å; V127-R176 HydrophobicContact CG1-CG 3.83Å; V127-M177 HydrophobicContact CB-CG 4.41Å; V127-M177 HydrophobicContact CG1-CG 4.09Å; V127-M177 HydrophobicContact CG2-CG 3.5Å; V127-M177 VanDerWaalsContact CG2-CG 3.5Å; V127-M177 HydrophobicContact CG2-SD 3.71Å; V127-F374 HydrophobicContact CB-CE1 4.28Å; V127-F374 HydrophobicContact CG1-CE1 4.2Å |
| 128 | E | 93.1 | Very high | 96.1 | Very high | 78 Ų | 78 | 56.1 Ų | 56.1 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59 | -44.1 | 174.7 | 179.7 | 163.7 | -120.7 | 0 | 0 | 112.5 | A124 R125 R130 T373 F374 A375 | A124-E128 WeakPolarHBondContact O-CB 3.35Å; A124-E128 PolarHBondContact O-N 3.39Å; R125-E128 WeakPolarHBondContact O-CB 3.42Å; R125-E128 PolarHBondContact O-N 3.5Å; E128-R130 PolarHBondContact O-N 3.23Å; E128-T373 VanDerWaalsContact OE1-CB 3.25Å; E128-T373 WeakPolarHBondContact OE1-CB 3.48Å; E128-F374 HydrophobicContact CB-CB 4.42Å; E128-F374 HydrophobicContact CB-CD1 4.13Å; E128-F374 HydrophobicContact CG-CB 4.41Å; E128-F374 WeakPolarHBondContact OE1-CB 3.35Å; E128-F374 PolarHBondContact OE1-N 3.12Å; E128-A375 VanDerWaalsContact OE2-CB 3.24Å; E128-A375 WeakPolarHBondContact OE2-CB 3.5Å |
| 129 | S | 95.5 | Very high | 96.2 | Very high | 82 Ų | 82 | 52 Ų | 52 | 57% | 0.573 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 1.8 | 177.6 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | R125 A126 V127 D131 | R125-S129 PolarHBondContact O-N 3.07Å; R125-S129 PolarHBondContact O-OG 2.69Å; A126-S129 PolarHBondContact O-N 3.5Å; A126-S129 PolarHBondContact O-OG 2.87Å; A126-S129 VanDerWaalsContact O-OG 3.08Å; V127-S129 PolarHBondContact O-N 3.3Å; S129-D131 PolarHBondContact O-N 3.02Å |
| 130 | R | 94.1 | Very high | 96.2 | Very high | 221 Ų | 221 | 55.1 Ų | 55.1 | 83% | 0.834 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 25.9 | -172.9 | -54 | -177.3 | 175.9 | -166 | -2.4 | 113.7 | A126 V127 E128 T132 | A126-R130 PolarHBondContact O-N 3.48Å; A126-R130 VanDerWaalsContact O-N 3.15Å; V127-R130 PolarHBondContact O-N 3.38Å; V127-R130 VanDerWaalsContact O-N 3.11Å; E128-R130 PolarHBondContact O-N 3.23Å; R130-T132 VanDerWaalsContact C-N 3.33Å; R130-T132 PolarHBondContact O-N 3.29Å; R130-T132 VanDerWaalsContact O-N 3.09Å |
| 131 | D | 96.5 | Very high | 96 | Very high | 63 Ų | 63 | 61.5 Ų | 61.5 | 34% | 0.337 | 33% | 0.326 | S | S | . | . | trans | -82.7 | 82 | 172.7 | -175.6 | -7.1 | 0 | 0 | 0 | 109.3 | A126 S129 I133 S134 A135 | A126-D131 PolarHBondContact O-N 2.91Å; S129-D131 PolarHBondContact O-N 3.02Å; D131-I133 PolarHBondContact O-N 2.86Å; D131-I133 PolarHBondContact OD1-N 3.34Å; D131-S134 VanDerWaalsContact CG-CB 3.41Å; D131-S134 VanDerWaalsContact CG-OG 3.22Å; D131-S134 PolarHBondContact O-N 3.4Å; D131-S134 PolarHBondContact OD1-N 3.25Å; D131-S134 PolarHBondContact OD1-OG 2.98Å; D131-S134 WeakPolarHBondContact OD2-CB 3.18Å; D131-S134 PolarHBondContact OD2-OG 3.44Å; D131-A135 VanDerWaalsContact O-CB 3.27Å; D131-A135 WeakPolarHBondContact O-CB 3.3Å; D131-A135 PolarHBondContact O-N 3.07Å | ||
| 132 | T | 95 | Very high | 95.8 | Very high | 83 Ų | 83 | 60.9 Ų | 60.9 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.6 | -26.4 | -177 | 55.4 | 0 | 0 | 0 | 0 | 113 | R130 S136 | R130-T132 VanDerWaalsContact C-N 3.33Å; R130-T132 PolarHBondContact O-N 3.29Å; R130-T132 VanDerWaalsContact O-N 3.09Å; T132-S136 VanDerWaalsContact O-CB 3.25Å; T132-S136 WeakPolarHBondContact O-CB 3.44Å; T132-S136 PolarHBondContact O-N 3.38Å; T132-S136 PolarHBondContact O-OG 2.91Å |
| 133 | I | 97.1 | Very high | 95.5 | Very high | 136 Ų | 136 | 63 Ų | 63 | 70% | 0.697 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -70.4 | -53.8 | 177.7 | -64.1 | 165.2 | 0 | 0 | 0 | 109.2 | D131 A135 S136 A137 | D131-I133 PolarHBondContact O-N 2.86Å; D131-I133 PolarHBondContact OD1-N 3.34Å; I133-A135 PolarHBondContact O-N 3.29Å; I133-S136 PolarHBondContact O-N 3.26Å; I133-A137 WeakPolarHBondContact O-CB 3.26Å; I133-A137 PolarHBondContact O-N 2.94Å |
| 134 | S | 97.2 | Very high | 95.2 | Very high | 46 Ų | 46 | 67.1 Ų | 67.1 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 178.1 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | D131 S136 A137 I138 | D131-S134 VanDerWaalsContact CG-CB 3.41Å; D131-S134 VanDerWaalsContact CG-OG 3.22Å; D131-S134 PolarHBondContact O-N 3.4Å; D131-S134 PolarHBondContact OD1-N 3.25Å; D131-S134 PolarHBondContact OD1-OG 2.98Å; D131-S134 WeakPolarHBondContact OD2-CB 3.18Å; D131-S134 PolarHBondContact OD2-OG 3.44Å; S134-S136 PolarHBondContact O-N 2.86Å; S134-A137 PolarHBondContact O-N 3.38Å; S134-I138 WeakPolarHBondContact O-CB 3.26Å; S134-I138 WeakPolarHBondContact O-CD1 3.48Å; S134-I138 WeakPolarHBondContact O-CG1 3.28Å; S134-I138 PolarHBondContact O-N 2.93Å |
| 135 | A | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59 | -46.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A126 V127 D131 I133 I138 L139 M177 | A126-A135 HydrophobicContact CB-CB 3.82Å; V127-A135 HydrophobicContact CG2-CB 3.87Å; D131-A135 VanDerWaalsContact O-CB 3.27Å; D131-A135 WeakPolarHBondContact O-CB 3.3Å; D131-A135 PolarHBondContact O-N 3.07Å; I133-A135 PolarHBondContact O-N 3.29Å; A135-I138 PolarHBondContact O-N 3.5Å; A135-L139 WeakPolarHBondContact O-CB 3.3Å; A135-L139 VanDerWaalsContact O-CG 3.29Å; A135-L139 WeakPolarHBondContact O-CG 3.32Å; A135-L139 PolarHBondContact O-N 2.88Å; A135-M177 HydrophobicContact CB-CE 3.79Å; A135-M177 HydrophobicContact CB-SD 3.74Å |
| 136 | S | 96.5 | Very high | 94.1 | Very high | 56 Ų | 56 | 64.1 Ų | 64.1 | 39% | 0.392 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 178.3 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | T132 I133 S134 I138 L139 S140 | T132-S136 VanDerWaalsContact O-CB 3.25Å; T132-S136 WeakPolarHBondContact O-CB 3.44Å; T132-S136 PolarHBondContact O-N 3.38Å; T132-S136 PolarHBondContact O-OG 2.91Å; I133-S136 PolarHBondContact O-N 3.26Å; S134-S136 PolarHBondContact O-N 2.86Å; S136-I138 VanDerWaalsContact C-N 3.34Å; S136-I138 PolarHBondContact O-N 3.11Å; S136-L139 PolarHBondContact O-N 3.43Å; S136-S140 PolarHBondContact O-N 3.31Å; S136-S140 PolarHBondContact O-OG 2.95Å; S136-S140 VanDerWaalsContact O-OG 3.08Å |
| 137 | A | 97 | Very high | 92.8 | Very high | 61 Ų | 61 | 66.5 Ų | 66.5 | 50% | 0.504 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I133 S134 R141 | I133-A137 WeakPolarHBondContact O-CB 3.26Å; I133-A137 PolarHBondContact O-N 2.94Å; S134-A137 PolarHBondContact O-N 3.38Å; A137-R141 PolarHBondContact O-N 3.2Å; A137-R141 VanDerWaalsContact O-N 3.08Å |
| 138 | I | 96.5 | Very high | 91.2 | Very high | 31 Ų | 31 | 68.5 Ų | 68.5 | 16% | 0.159 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 176.5 | -68.7 | 164.2 | 0 | 0 | 0 | 110.8 | L119 A122 A126 S134 A135 S136 S140 R141 I142 | L119-I138 HydrophobicContact CB-CG2 4.47Å; L119-I138 WeakPolarHBondContact O-CG2 3.2Å; A122-I138 HydrophobicContact CB-CD1 3.96Å; A126-I138 HydrophobicContact CB-CD1 4.38Å; S134-I138 WeakPolarHBondContact O-CB 3.26Å; S134-I138 WeakPolarHBondContact O-CD1 3.48Å; S134-I138 WeakPolarHBondContact O-CG1 3.28Å; S134-I138 PolarHBondContact O-N 2.93Å; A135-I138 PolarHBondContact O-N 3.5Å; S136-I138 VanDerWaalsContact C-N 3.34Å; S136-I138 PolarHBondContact O-N 3.11Å; I138-S140 PolarHBondContact O-N 3.4Å; I138-R141 WeakPolarHBondContact O-CB 3.34Å; I138-R141 PolarHBondContact O-N 3.04Å; I138-R141 VanDerWaalsContact O-N 3.12Å; I138-I142 HydrophobicContact CG2-CD1 3.96Å; I138-I142 WeakPolarHBondContact O-CG1 3.46Å; I138-I142 PolarHBondContact O-N 3.07Å |
| 139 | L | 95.4 | Very high | 89.3 | Confident | 7 Ų | 7 | 71.7 Ų | 71.7 | 4% | 0.037 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 177.6 | -71.7 | 168.5 | 0 | 0 | 0 | 111.8 | A135 S136 R141 I142 D143 A170 L173 R174 M177 | A135-L139 WeakPolarHBondContact O-CB 3.3Å; A135-L139 VanDerWaalsContact O-CG 3.29Å; A135-L139 WeakPolarHBondContact O-CG 3.32Å; A135-L139 PolarHBondContact O-N 2.88Å; S136-L139 PolarHBondContact O-N 3.43Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 PolarHBondContact O-N 2.99Å; L139-I142 HydrophobicContact CD2-CD1 4.39Å; L139-I142 WeakPolarHBondContact O-CB 3.17Å; L139-I142 PolarHBondContact O-N 3.35Å; L139-I142 VanDerWaalsContact O-N 3.16Å; L139-D143 VanDerWaalsContact O-CG 3.3Å; L139-D143 PolarHBondContact O-N 2.96Å; L139-A170 HydrophobicContact CD2-CB 3.76Å; L139-L173 HydrophobicContact CD2-CB 4.21Å; L139-L173 HydrophobicContact CD2-CD1 4.15Å; L139-R174 HydrophobicContact CD1-CG 3.77Å; L139-M177 HydrophobicContact CD1-SD 3.62Å |
| 140 | S | 94.3 | Very high | 87.1 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 53% | 0.531 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.9 | -34.8 | 173.8 | -61.5 | 0 | 0 | 0 | 0 | 112.7 | S136 I138 D143 A144 | S136-S140 PolarHBondContact O-N 3.31Å; S136-S140 PolarHBondContact O-OG 2.95Å; S136-S140 VanDerWaalsContact O-OG 3.08Å; I138-S140 PolarHBondContact O-N 3.4Å; S140-D143 PolarHBondContact O-N 2.8Å; S140-A144 PolarHBondContact O-N 2.91Å; S140-A144 VanDerWaalsContact O-N 3.09Å |
| 141 | R | 93.8 | Very high | 85.1 | Confident | 138 Ų | 138 | 63.7 Ų | 63.7 | 52% | 0.521 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.3 | -38.7 | 174.5 | -177.1 | 173.4 | 178.8 | 166.5 | -0.1 | 111.8 | L119 A137 I138 L139 D143 A144 I145 | L119-R141 HydrophobicContact CD1-CG 4.25Å; A137-R141 PolarHBondContact O-N 3.2Å; A137-R141 VanDerWaalsContact O-N 3.08Å; I138-R141 WeakPolarHBondContact O-CB 3.34Å; I138-R141 PolarHBondContact O-N 3.04Å; I138-R141 VanDerWaalsContact O-N 3.12Å; L139-R141 VanDerWaalsContact C-N 3.27Å; L139-R141 PolarHBondContact O-N 2.99Å; R141-D143 VanDerWaalsContact C-N 3.35Å; R141-A144 PolarHBondContact O-N 3.36Å; R141-I145 HydrophobicContact CG-CD1 4.15Å; R141-I145 WeakPolarHBondContact O-CD1 3.39Å; R141-I145 WeakPolarHBondContact O-CG1 3.27Å; R141-I145 PolarHBondContact O-N 3.37Å |
| 142 | I | 92.6 | Very high | 83 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 173.4 | -70.8 | 162.6 | 0 | 0 | 0 | 110 | L116 L119 L120 I138 L139 A144 I145 I146 A170 | L116-I142 HydrophobicContact CD1-CG1 4.32Å; L116-I142 HydrophobicContact CD1-CG2 4.12Å; L119-I142 HydrophobicContact CB-CD1 4.23Å; L119-I142 HydrophobicContact CB-CG1 3.93Å; L119-I142 HydrophobicContact CD1-CG1 4.43Å; L120-I142 HydrophobicContact CD2-CD1 3.82Å; L120-I142 HydrophobicContact CG-CD1 4.25Å; I138-I142 HydrophobicContact CG2-CD1 3.96Å; I138-I142 WeakPolarHBondContact O-CG1 3.46Å; I138-I142 PolarHBondContact O-N 3.07Å; L139-I142 HydrophobicContact CD2-CD1 4.39Å; L139-I142 WeakPolarHBondContact O-CB 3.17Å; L139-I142 PolarHBondContact O-N 3.35Å; L139-I142 VanDerWaalsContact O-N 3.16Å; I142-A144 VanDerWaalsContact C-N 3.26Å; I142-A144 PolarHBondContact O-N 3.08Å; I142-I145 PolarHBondContact O-N 3.48Å; I142-I145 VanDerWaalsContact O-N 3.1Å; I142-I146 HydrophobicContact CG2-CD1 3.55Å; I142-I146 HydrophobicContact CG2-CG1 4.37Å; I142-I146 WeakPolarHBondContact O-CG1 3.48Å; I142-I146 PolarHBondContact O-N 3.21Å; I142-A170 HydrophobicContact CG2-CB 4.32Å |
| 143 | D | 90.5 | Very high | 80.9 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 42% | 0.417 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.5 | -34.4 | 177.8 | -63.2 | -24.2 | 0 | 0 | 0 | 112.4 | L139 S140 R141 I145 R174 | L139-D143 VanDerWaalsContact O-CG 3.3Å; L139-D143 PolarHBondContact O-N 2.96Å; S140-D143 PolarHBondContact O-N 2.8Å; R141-D143 VanDerWaalsContact C-N 3.35Å; D143-I145 VanDerWaalsContact C-N 3.34Å; D143-R174 IonicContact OD1-CZ 3.45Å; D143-R174 IonicContact OD1-NH2 3.05Å; D143-R174 PolarHBondContact OD1-NH2 3.27Å; D143-R174 IonicContact OD2-CZ 3.38Å; D143-R174 IonicContact OD2-NH2 3.93Å; D143-R174 PolarHBondContact OD2-NH2 3.36Å |
| 144 | A | 89.4 | Confident | 78.6 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 72% | 0.719 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -72.1 | -25.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S140 R141 I142 | S140-A144 PolarHBondContact O-N 2.91Å; S140-A144 VanDerWaalsContact O-N 3.09Å; R141-A144 PolarHBondContact O-N 3.36Å; I142-A144 VanDerWaalsContact C-N 3.26Å; I142-A144 PolarHBondContact O-N 3.08Å |
| 145 | I | 87 | Confident | 76.2 | Confident | 69 Ų | 69 | 62.9 Ų | 62.9 | 35% | 0.354 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -82.4 | -37.3 | 178.5 | -68.6 | 164.2 | 0 | 0 | 0 | 110.8 | L119 R141 I142 D143 P147 | L119-I145 HydrophobicContact CD1-CD1 3.31Å; R141-I145 HydrophobicContact CG-CD1 4.15Å; R141-I145 WeakPolarHBondContact O-CD1 3.39Å; R141-I145 WeakPolarHBondContact O-CG1 3.27Å; R141-I145 PolarHBondContact O-N 3.37Å; I142-I145 PolarHBondContact O-N 3.48Å; I142-I145 VanDerWaalsContact O-N 3.1Å; D143-I145 VanDerWaalsContact C-N 3.34Å; I145-P147 WeakPolarHBondContact O-CD 3.49Å |
| 146 | I | 84.9 | Confident | 73.9 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 5% | 0.046 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -86.1 | 120.9 | -176.2 | -61.6 | 172.5 | 0 | 0 | 0 | 109.9 | L116 I142 D163 A166 R167 | L116-I146 HydrophobicContact CD1-CD1 4.41Å; L116-I146 HydrophobicContact CD1-CG1 4.45Å; L116-I146 HydrophobicContact CD2-CG1 4.41Å; I142-I146 HydrophobicContact CG2-CD1 3.55Å; I142-I146 HydrophobicContact CG2-CG1 4.37Å; I142-I146 WeakPolarHBondContact O-CG1 3.48Å; I142-I146 PolarHBondContact O-N 3.21Å; I146-D163 HydrophobicContact CG2-CB 3.9Å; I146-A166 HydrophobicContact CD1-CB 3.76Å; I146-R167 HydrophobicContact CD1-CG 3.87Å; I146-R167 HydrophobicContact CG2-CG 4Å |
| 147 | P | 71.6 | Confident | 72 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 37% | 0.37 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 147.6 | 175.7 | -23.2 | 33.4 | 0 | 0 | 0 | 112.7 | I145 R167 | I145-P147 WeakPolarHBondContact O-CD 3.49Å; P147-R167 PolarHBondContact O-NH2 2.92Å |
| 148 | G | 60.9 | Low | 70.4 | Confident | 61 Ų | 61 | 70 Ų | 70 | 63% | 0.629 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 155.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G150 | G148-G150 PolarHBondContact O-N 3.14Š|
| 149 | V | 53 | Low | 69 | Low | 144 Ų | 144 | 76 Ų | 76 | 87% | 0.873 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 106.7 | 179.8 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 150 | G | 49.6 | Very low | 68.1 | Low | 65 Ų | 65 | 76.2 Ų | 76.2 | 67% | 0.67 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 153.9 | 2.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | G148 P152 | G148-G150 PolarHBondContact O-N 3.14Å; G150-P152 WeakPolarHBondContact O-CD 3.24Å |
| 151 | V | 52.3 | Low | 67.4 | Low | 71 Ų | 71 | 73.1 Ų | 73.1 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | trans | -71.5 | 112.9 | 167.4 | -174.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 152 | P | 50.9 | Low | 66.9 | Low | 63 Ų | 63 | 67.8 Ų | 67.8 | 41% | 0.409 | 43% | 0.431 | S | S | . | . | trans | -63.8 | 156.1 | -179.4 | -16.1 | 30.4 | 0 | 0 | 0 | 110.2 | G150 N154 | G150-P152 WeakPolarHBondContact O-CD 3.24Å; P152-N154 HydrophobicContact CB-CB 4.49Å; P152-N154 PolarHBondContact O-N 3.03Å; P152-N154 PolarHBondContact O-OD1 2.99Å | ||
| 153 | Y | 51.3 | Low | 66.7 | Low | 61 Ų | 61 | 68.4 Ų | 68.4 | 24% | 0.239 | 43% | 0.434 | C | S | . | . | trans | -68.7 | 56.6 | 166 | -92.3 | -85 | 0 | 0 | 0 | 111.2 | G155 H164 G402 G406 E409 | Y153-G155 VanDerWaalsContact C-N 3.29Å; Y153-G155 PolarHBondContact O-N 2.6Å; Y153-G155 VanDerWaalsContact O-N 3.16Å; Y153-H164 AromaticContact CE2-CE1 3.61Å; Y153-H164 AromaticContact CE2-ND1 3.87Å; Y153-H164 AromaticContact CZ-CE1 3.77Å; Y153-H164 AromaticContact CZ-ND1 3.65Å; Y153-H164 PolarHBondContact OH-ND1 3.48Å; Y153-H164 VanDerWaalsContact OH-ND1 3.14Å; Y153-G402 VanDerWaalsContact CD1-O 3.31Å; Y153-G402 WeakPolarHBondContact CD1-O 2.93Å; Y153-G406 VanDerWaalsContact CE1-CA 3.48Å; Y153-E409 PolarHBondContact OH-OE1 3.25Å; Y153-E409 PolarHBondContact OH-OE2 3.13Å | ||
| 154 | N | 49.7 | Very low | 66.6 | Low | 105 Ų | 105 | 66.1 Ų | 66.1 | 56% | 0.561 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -89.7 | 58.8 | 178.9 | 67.2 | 0.7 | 0 | 0 | 0 | 111.5 | P152 S156 | P152-N154 HydrophobicContact CB-CB 4.49Å; P152-N154 PolarHBondContact O-N 3.03Å; P152-N154 PolarHBondContact O-OD1 2.99Å; N154-S156 PolarHBondContact O-N 2.81Å |
| 155 | G | 46.8 | Very low | 66.7 | Low | 81 Ų | 81 | 62.6 Ų | 62.6 | 84% | 0.835 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 63.3 | -1.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | Y153 | Y153-G155 VanDerWaalsContact C-N 3.29Å; Y153-G155 PolarHBondContact O-N 2.6Å; Y153-G155 VanDerWaalsContact O-N 3.16Å |
| 156 | S | 48.4 | Very low | 67 | Low | 74 Ų | 74 | 59.5 Ų | 59.5 | 52% | 0.517 | 37% | 0.374 | S | S | . | . | trans | -134.3 | 131.8 | 171.6 | 71 | 0 | 0 | 0 | 0 | 105.8 | N154 | N154-S156 PolarHBondContact O-N 2.81Š| ||
| 157 | C | 56.4 | Low | 67.4 | Low | 66 Ų | 66 | 60.8 Ų | 60.8 | 45% | 0.446 | 38% | 0.379 | S | S | . | . | cis | -163 | 150.8 | 33.5 | 49.6 | 0 | 0 | 0 | 0 | 106.3 | R159 A160 | C157-R159 HydrophobicContact CB-CB 4.42Å; C157-R159 PolarHBondContact O-N 2.72Å; C157-A160 PolarHBondContact O-N 3.07Å; C157-A160 PolarHBondContact SG-N 3.38Å | ||
| 158 | H | 62.4 | Low | 68.4 | Low | 127 Ų | 127 | 59.3 Ų | 59.3 | 59% | 0.588 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -46.3 | -31.6 | 171 | 178.8 | 65.8 | 0 | 0 | 0 | 112.8 | A161 V162 | H158-A161 PolarHBondContact O-N 2.83Å; H158-V162 WeakPolarHBondContact O-CG2 3.29Å; H158-V162 PolarHBondContact O-N 2.98Å; H158-V162 VanDerWaalsContact O-N 3.09Å |
| 159 | R | 67.4 | Low | 70.1 | Confident | 156 Ų | 156 | 56.4 Ų | 56.4 | 59% | 0.589 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.6 | -41.9 | 174.3 | -173.2 | 172.4 | -174.7 | -119.8 | -0.9 | 113.9 | C157 A161 V162 D163 | C157-R159 HydrophobicContact CB-CB 4.42Å; C157-R159 PolarHBondContact O-N 2.72Å; R159-A161 VanDerWaalsContact C-N 3.35Å; R159-A161 PolarHBondContact O-N 2.94Å; R159-V162 PolarHBondContact O-N 3.27Å; R159-D163 WeakPolarHBondContact O-CB 3.17Å; R159-D163 PolarHBondContact O-N 3.49Å |
| 160 | A | 77.1 | Confident | 72.2 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 11% | 0.107 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | C157 V162 D163 H164 | C157-A160 PolarHBondContact O-N 3.07Å; C157-A160 PolarHBondContact SG-N 3.38Å; A160-V162 PolarHBondContact O-N 2.88Å; A160-D163 WeakPolarHBondContact O-CB 3.38Å; A160-D163 PolarHBondContact O-N 3.42Å; A160-H164 PolarHBondContact O-N 2.89Å; A160-H164 PolarHBondContact O-ND1 2.98Å; A160-H164 VanDerWaalsContact O-ND1 3.1Å |
| 161 | A | 79.9 | Confident | 74.2 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H158 R159 D163 H164 L165 L389 | H158-A161 PolarHBondContact O-N 2.83Å; R159-A161 VanDerWaalsContact C-N 3.35Å; R159-A161 PolarHBondContact O-N 2.94Å; A161-D163 VanDerWaalsContact C-N 3.34Å; A161-D163 PolarHBondContact O-N 3.43Å; A161-H164 PolarHBondContact O-N 2.81Å; A161-L165 WeakPolarHBondContact O-CB 3.49Å; A161-L165 PolarHBondContact O-N 3.12Å; A161-L389 HydrophobicContact CB-CD1 4.29Å; A161-L389 HydrophobicContact CB-CD2 3.93Å; A161-L389 HydrophobicContact CB-CG 4.38Å |
| 162 | V | 82.5 | Confident | 76.2 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 16% | 0.164 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 172.7 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | L101 L116 H158 R159 A160 L165 A166 | L101-V162 HydrophobicContact CD2-CG1 3.49Å; L101-V162 VanDerWaalsContact CD2-CG1 3.49Å; L101-V162 HydrophobicContact CD2-CG2 4.34Å; L116-V162 HydrophobicContact CD2-CG1 4.49Å; H158-V162 WeakPolarHBondContact O-CG2 3.29Å; H158-V162 PolarHBondContact O-N 2.98Å; H158-V162 VanDerWaalsContact O-N 3.09Å; R159-V162 PolarHBondContact O-N 3.27Å; A160-V162 PolarHBondContact O-N 2.88Å; V162-L165 WeakPolarHBondContact O-CB 3.27Å; V162-L165 PolarHBondContact O-N 3.32Å; V162-A166 WeakPolarHBondContact O-CB 3.18Å; V162-A166 PolarHBondContact O-N 3.4Å |
| 163 | D | 88.8 | Confident | 78.3 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 177.5 | -71 | -15.7 | 0 | 0 | 0 | 111.3 | I146 R159 A160 A161 A166 R167 | I146-D163 HydrophobicContact CG2-CB 3.9Å; R159-D163 WeakPolarHBondContact O-CB 3.17Å; R159-D163 PolarHBondContact O-N 3.49Å; A160-D163 WeakPolarHBondContact O-CB 3.38Å; A160-D163 PolarHBondContact O-N 3.42Å; A161-D163 VanDerWaalsContact C-N 3.34Å; A161-D163 PolarHBondContact O-N 3.43Å; D163-A166 PolarHBondContact O-N 3.24Å; D163-R167 PolarHBondContact O-N 2.82Å; D163-R167 PolarHBondContact O-NH1 3.3Å |
| 164 | H | 88.5 | Confident | 80.4 | Confident | 30 Ų | 30 | 44.4 Ų | 44.4 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.4 | -47.1 | 173.8 | -60.3 | 142.2 | 0 | 0 | 0 | 111.2 | Y153 A160 A161 A166 R167 Y168 E409 | Y153-H164 AromaticContact CE2-CE1 3.61Å; Y153-H164 AromaticContact CE2-ND1 3.87Å; Y153-H164 AromaticContact CZ-CE1 3.77Å; Y153-H164 AromaticContact CZ-ND1 3.65Å; Y153-H164 PolarHBondContact OH-ND1 3.48Å; Y153-H164 VanDerWaalsContact OH-ND1 3.14Å; A160-H164 PolarHBondContact O-N 2.89Å; A160-H164 PolarHBondContact O-ND1 2.98Å; A160-H164 VanDerWaalsContact O-ND1 3.1Å; A161-H164 PolarHBondContact O-N 2.81Å; H164-A166 VanDerWaalsContact C-N 3.31Å; H164-A166 PolarHBondContact O-N 2.96Å; H164-R167 PolarHBondContact CD2-NH1 3.25Å; H164-R167 WeakPolarHBondContact O-CB 3.34Å; H164-R167 PolarHBondContact O-N 3.08Å; H164-Y168 HydrophobicContact CB-CE2 3.99Å; H164-Y168 WeakPolarHBondContact O-CD2 3.41Å; H164-Y168 PolarHBondContact O-N 3.36Å; H164-E409 WeakPolarHBondContact CB-OE1 3.16Å; H164-E409 IonicContact CG-OE1 2.74Å; H164-E409 IonicContact ND1-OE1 3.65Å; H164-E409 PolarHBondContact ND1-OE1 3.45Å; H164-E409 IonicContact ND1-OE2 2.67Å |
| 165 | L | 91.6 | Very high | 82.3 | Confident | 13 Ų | 13 | 41.1 Ų | 41.1 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -53.1 | -50.6 | 174.8 | -169.6 | 72.4 | 0 | 0 | 0 | 111 | A161 V162 R167 Y168 F169 F385 L389 I417 | A161-L165 WeakPolarHBondContact O-CB 3.49Å; A161-L165 PolarHBondContact O-N 3.12Å; V162-L165 WeakPolarHBondContact O-CB 3.27Å; V162-L165 PolarHBondContact O-N 3.32Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 2.85Å; L165-Y168 PolarHBondContact O-N 3.42Å; L165-Y168 VanDerWaalsContact O-N 3.16Å; L165-F169 HydrophobicContact CD1-CD2 4.49Å; L165-F169 HydrophobicContact CD1-CE2 4.02Å; L165-F169 HydrophobicContact CD2-CE2 4.46Å; L165-F169 HydrophobicContact CG-CD2 4.13Å; L165-F169 HydrophobicContact CG-CE2 3.92Å; L165-F169 VanDerWaalsContact O-CD2 3.28Å; L165-F169 WeakPolarHBondContact O-CD2 3.33Å; L165-F169 PolarHBondContact O-N 3.4Å; L165-F169 VanDerWaalsContact O-N 3.1Å; L165-F385 HydrophobicContact CD1-CB 4.04Å; L165-L389 HydrophobicContact CB-CD2 4.06Å; L165-L389 HydrophobicContact CD1-CD2 4.41Å; L165-L389 HydrophobicContact CD2-CD2 4.19Å; L165-L389 HydrophobicContact CG-CD2 4.46Å; L165-I417 HydrophobicContact CD1-CD1 3.33Å |
| 166 | A | 93.3 | Very high | 84.3 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.4 | -38.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L116 L120 I146 V162 D163 H164 F169 A170 | L116-A166 HydrophobicContact CD1-CB 4.21Å; L116-A166 HydrophobicContact CD2-CB 3.43Å; L116-A166 VanDerWaalsContact CD2-CB 3.43Å; L116-A166 HydrophobicContact CG-CB 3.82Å; L120-A166 HydrophobicContact CD1-CB 3.88Å; I146-A166 HydrophobicContact CD1-CB 3.76Å; V162-A166 WeakPolarHBondContact O-CB 3.18Å; V162-A166 PolarHBondContact O-N 3.4Å; D163-A166 PolarHBondContact O-N 3.24Å; H164-A166 VanDerWaalsContact C-N 3.31Å; H164-A166 PolarHBondContact O-N 2.96Å; A166-F169 PolarHBondContact O-N 3.47Å; A166-A170 WeakPolarHBondContact O-CB 3.42Å; A166-A170 PolarHBondContact O-N 3.06Å |
| 167 | R | 92.2 | Very high | 86.3 | Confident | 37 Ų | 37 | 39.6 Ų | 39.6 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 173.7 | -77.1 | -172.5 | -143.7 | 80 | -13.7 | 112 | I146 P147 D163 H164 L165 F169 A170 Q171 | I146-R167 HydrophobicContact CD1-CG 3.87Å; I146-R167 HydrophobicContact CG2-CG 4Å; P147-R167 PolarHBondContact O-NH2 2.92Å; D163-R167 PolarHBondContact O-N 2.82Å; D163-R167 PolarHBondContact O-NH1 3.3Å; H164-R167 PolarHBondContact CD2-NH1 3.25Å; H164-R167 WeakPolarHBondContact O-CB 3.34Å; H164-R167 PolarHBondContact O-N 3.08Å; L165-R167 VanDerWaalsContact C-N 3.33Å; L165-R167 PolarHBondContact O-N 2.85Å; R167-F169 VanDerWaalsContact C-N 3.35Å; R167-F169 PolarHBondContact O-N 3.49Å; R167-A170 PolarHBondContact O-N 3.34Å; R167-Q171 WeakPolarHBondContact O-CB 3.45Å; R167-Q171 VanDerWaalsContact O-CG 3.31Å; R167-Q171 WeakPolarHBondContact O-CG 3.48Å; R167-Q171 PolarHBondContact O-N 2.83Å |
| 168 | Y | 94.2 | Very high | 87.8 | Confident | 25 Ų | 25 | 39.6 Ų | 39.6 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | 178.4 | -60.7 | -48.3 | 0 | 0 | 0 | 112 | H164 L165 Q171 G172 E409 R410 G414 I417 Q418 | H164-Y168 HydrophobicContact CB-CE2 3.99Å; H164-Y168 WeakPolarHBondContact O-CD2 3.41Å; H164-Y168 PolarHBondContact O-N 3.36Å; L165-Y168 PolarHBondContact O-N 3.42Å; L165-Y168 VanDerWaalsContact O-N 3.16Å; Y168-Q171 PolarHBondContact O-N 3.48Å; Y168-G172 PolarHBondContact O-N 2.96Å; Y168-E409 HydrophobicContact CE2-CG 3.99Å; Y168-R410 WeakPolarHBondContact OH-CA 3.28Å; Y168-G414 VanDerWaalsContact CD2-CA 3.48Å; Y168-G414 VanDerWaalsContact CG-CA 3.46Å; Y168-I417 HydrophobicContact CD2-CD1 4.23Å; Y168-Q418 WeakPolarHBondContact O-CG 3.31Å |
| 169 | F | 96.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.2 | -44 | 172.7 | -84.1 | -79.6 | 0 | 0 | 0 | 112.3 | L120 L165 A166 R167 Q171 G172 L173 F378 A381 L382 F385 I417 V421 | L120-F169 HydrophobicContact CD1-CB 4.47Å; L120-F169 HydrophobicContact CD2-CB 3.87Å; L165-F169 HydrophobicContact CD1-CD2 4.49Å; L165-F169 HydrophobicContact CD1-CE2 4.02Å; L165-F169 HydrophobicContact CD2-CE2 4.46Å; L165-F169 HydrophobicContact CG-CD2 4.13Å; L165-F169 HydrophobicContact CG-CE2 3.92Å; L165-F169 VanDerWaalsContact O-CD2 3.28Å; L165-F169 WeakPolarHBondContact O-CD2 3.33Å; L165-F169 PolarHBondContact O-N 3.4Å; L165-F169 VanDerWaalsContact O-N 3.1Å; A166-F169 PolarHBondContact O-N 3.47Å; R167-F169 VanDerWaalsContact C-N 3.35Å; R167-F169 PolarHBondContact O-N 3.49Å; F169-Q171 VanDerWaalsContact C-N 3.32Å; F169-Q171 PolarHBondContact O-N 3.07Å; F169-G172 PolarHBondContact O-N 2.86Å; F169-L173 WeakPolarHBondContact O-CG 3.17Å; F169-L173 PolarHBondContact O-N 3.37Å; F169-F378 HydrophobicContact CB-CE2 4.39Å; F169-F378 HydrophobicContact CB-CZ 4.03Å; F169-F378 HydrophobicContact CD1-CD2 4.27Å; F169-F378 HydrophobicContact CD1-CE1 4.26Å; F169-F378 AromaticContact CD1-CE2 3.58Å; F169-F378 HydrophobicContact CD1-CE2 3.58Å; F169-F378 AromaticContact CD1-CZ 3.58Å; F169-F378 HydrophobicContact CD1-CZ 3.58Å; F169-F378 HydrophobicContact CE1-CE2 4.38Å; F169-F378 HydrophobicContact CE1-CZ 4.43Å; F169-F378 HydrophobicContact CG-CE2 4.44Å; F169-F378 HydrophobicContact CG-CZ 4.14Å; F169-A381 HydrophobicContact CE1-CB 3.95Å; F169-A381 HydrophobicContact CZ-CB 4.24Å; F169-L382 HydrophobicContact CD2-CD1 3.89Å; F169-L382 HydrophobicContact CE1-CB 4.45Å; F169-L382 HydrophobicContact CE2-CD1 3.7Å; F169-L382 HydrophobicContact CG-CD1 4.44Å; F169-L382 VanDerWaalsContact CZ-CA 3.48Å; F169-L382 HydrophobicContact CZ-CB 4.2Å; F169-L382 HydrophobicContact CZ-CD1 4.08Å; F169-F385 HydrophobicContact CE2-CB 4.36Å; F169-F385 HydrophobicContact CZ-CB 4.32Å; F169-F385 AromaticContact CZ-CD2 3.86Å; F169-F385 HydrophobicContact CZ-CD2 3.86Å; F169-I417 HydrophobicContact CD1-CG2 3.97Å; F169-I417 HydrophobicContact CD2-CG2 3.75Å; F169-I417 HydrophobicContact CE1-CG2 4.03Å; F169-I417 HydrophobicContact CE2-CG2 3.8Å; F169-I417 HydrophobicContact CG-CG2 3.82Å; F169-I417 HydrophobicContact CZ-CG2 3.93Å; F169-V421 HydrophobicContact CD1-CG2 3.63Å; F169-V421 HydrophobicContact CE1-CG2 3.81Å |
| 170 | A | 95.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L120 L139 I142 A166 R167 L173 R174 | L120-A170 HydrophobicContact CD2-CB 4.49Å; L139-A170 HydrophobicContact CD2-CB 3.76Å; I142-A170 HydrophobicContact CG2-CB 4.32Å; A166-A170 WeakPolarHBondContact O-CB 3.42Å; A166-A170 PolarHBondContact O-N 3.06Å; R167-A170 PolarHBondContact O-N 3.34Å; A170-L173 PolarHBondContact O-N 2.83Å; A170-R174 WeakPolarHBondContact O-CG 3.28Å; A170-R174 PolarHBondContact O-N 2.94Å; A170-R174 VanDerWaalsContact O-N 3.08Å; A170-R174 PolarHBondContact O-NH1 3.49Å |
| 171 | Q | 93.4 | Very high | 88 | Confident | 71 Ų | 71 | 37.7 Ų | 37.7 | 33% | 0.332 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 172.7 | -74.5 | 168.2 | -3 | 0 | 0 | 111.3 | R167 Y168 F169 L173 R174 S175 Q418 | R167-Q171 WeakPolarHBondContact O-CB 3.45Å; R167-Q171 VanDerWaalsContact O-CG 3.31Å; R167-Q171 WeakPolarHBondContact O-CG 3.48Å; R167-Q171 PolarHBondContact O-N 2.83Å; Y168-Q171 PolarHBondContact O-N 3.48Å; F169-Q171 VanDerWaalsContact C-N 3.32Å; F169-Q171 PolarHBondContact O-N 3.07Å; Q171-L173 VanDerWaalsContact C-N 3.29Å; Q171-L173 PolarHBondContact O-N 3Å; Q171-R174 WeakPolarHBondContact O-CA 3.25Å; Q171-R174 WeakPolarHBondContact O-CB 3.15Å; Q171-R174 PolarHBondContact O-N 3.38Å; Q171-S175 PolarHBondContact O-N 2.7Å; Q171-S175 PolarHBondContact O-OG 3.11Å; Q171-Q418 HydrophobicContact CB-CG 3.95Å |
| 172 | G | 93.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.3 | -39.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y168 F169 S175 R176 V421 G422 | Y168-G172 PolarHBondContact O-N 2.96Å; F169-G172 PolarHBondContact O-N 2.86Å; G172-S175 PolarHBondContact O-N 3.12Å; G172-R176 WeakPolarHBondContact O-CB 3.37Å; G172-R176 PolarHBondContact O-N 3.02Å; G172-V421 VanDerWaalsContact C-CG1 3.5Å; G172-G422 VanDerWaalsContact O-CA 3.3Å; G172-G422 WeakPolarHBondContact O-CA 3.34Å |
| 173 | L | 95.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 172.9 | -72.7 | 174.7 | 0 | 0 | 0 | 112 | A124 V127 L139 F169 A170 Q171 R176 M177 F374 F378 V421 | A124-L173 HydrophobicContact CB-CD2 4.08Å; V127-L173 HydrophobicContact CB-CD2 4.37Å; V127-L173 HydrophobicContact CG2-CD2 4.06Å; L139-L173 HydrophobicContact CD2-CB 4.21Å; L139-L173 HydrophobicContact CD2-CD1 4.15Å; F169-L173 WeakPolarHBondContact O-CG 3.17Å; F169-L173 PolarHBondContact O-N 3.37Å; A170-L173 PolarHBondContact O-N 2.83Å; Q171-L173 VanDerWaalsContact C-N 3.29Å; Q171-L173 PolarHBondContact O-N 3Å; L173-R176 PolarHBondContact O-N 3.44Å; L173-M177 VanDerWaalsContact O-CG 3.25Å; L173-M177 WeakPolarHBondContact O-CG 3.48Å; L173-M177 PolarHBondContact O-N 3.37Å; L173-F374 HydrophobicContact CD2-CE1 3.87Å; L173-F374 HydrophobicContact CD2-CZ 3.82Å; L173-F378 HydrophobicContact CD1-CE2 3.97Å; L173-F378 HydrophobicContact CD1-CZ 3.99Å; L173-F378 HydrophobicContact CD2-CD2 4.07Å; L173-F378 HydrophobicContact CD2-CE2 3.67Å; L173-F378 HydrophobicContact CD2-CZ 4.44Å; L173-F378 HydrophobicContact CG-CE2 3.73Å; L173-F378 HydrophobicContact CG-CZ 4.27Å; L173-V421 HydrophobicContact CD2-CG1 4.13Å; L173-V421 HydrophobicContact CG-CG1 4.27Å |
| 174 | R | 94 | Very high | 83.7 | Confident | 81 Ų | 81 | 46.7 Ų | 46.7 | 31% | 0.306 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.8 | -46.4 | 176.4 | -70.5 | 177.8 | -173.4 | 99.5 | -4.8 | 112 | L139 D143 A170 Q171 R176 M177 S178 | L139-R174 HydrophobicContact CD1-CG 3.77Å; D143-R174 IonicContact OD1-CZ 3.45Å; D143-R174 IonicContact OD1-NH2 3.05Å; D143-R174 PolarHBondContact OD1-NH2 3.27Å; D143-R174 IonicContact OD2-CZ 3.38Å; D143-R174 IonicContact OD2-NH2 3.93Å; D143-R174 PolarHBondContact OD2-NH2 3.36Å; A170-R174 WeakPolarHBondContact O-CG 3.28Å; A170-R174 PolarHBondContact O-N 2.94Å; A170-R174 VanDerWaalsContact O-N 3.08Å; A170-R174 PolarHBondContact O-NH1 3.49Å; Q171-R174 WeakPolarHBondContact O-CA 3.25Å; Q171-R174 WeakPolarHBondContact O-CB 3.15Å; Q171-R174 PolarHBondContact O-N 3.38Å; R174-R176 VanDerWaalsContact C-N 3.26Å; R174-R176 PolarHBondContact O-N 3.03Å; R174-M177 WeakPolarHBondContact O-CB 3.35Å; R174-M177 PolarHBondContact O-N 2.89Å; R174-M177 VanDerWaalsContact O-N 3.08Å; R174-S178 PolarHBondContact O-N 3.44Å |
| 175 | S | 90.3 | Very high | 81.6 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.6 | -38.4 | 175.7 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | Q171 G172 S178 G179 E180 | Q171-S175 PolarHBondContact O-N 2.7Å; Q171-S175 PolarHBondContact O-OG 3.11Å; G172-S175 PolarHBondContact O-N 3.12Å; S175-S178 PolarHBondContact O-OG 2.87Å; S175-S178 VanDerWaalsContact O-OG 3.07Å; S175-G179 PolarHBondContact O-N 2.98Å; S175-E180 PolarHBondContact O-N 3.05Å |
| 176 | R | 89.5 | Confident | 79.3 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 173.6 | -174 | 171.4 | -174.1 | 73.5 | -0.5 | 112.3 | V127 G172 L173 R174 G179 F374 Y424 | V127-R176 HydrophobicContact CG1-CB 4.33Å; V127-R176 HydrophobicContact CG1-CG 3.83Å; G172-R176 WeakPolarHBondContact O-CB 3.37Å; G172-R176 PolarHBondContact O-N 3.02Å; L173-R176 PolarHBondContact O-N 3.44Å; R174-R176 VanDerWaalsContact C-N 3.26Å; R174-R176 PolarHBondContact O-N 3.03Å; R176-G179 PolarHBondContact O-N 3.45Å; R176-F374 VanDerWaalsContact CD-CE2 3.47Å; R176-Y424 PolarHBondContact NH1-O 3.43Å |
| 177 | M | 90.5 | Very high | 77.1 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 28% | 0.281 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 178.7 | -74.1 | 171.3 | 64.5 | 0 | 0 | 112.8 | V127 A135 L139 L173 R174 G179 | V127-M177 HydrophobicContact CB-CG 4.41Å; V127-M177 HydrophobicContact CG1-CG 4.09Å; V127-M177 HydrophobicContact CG2-CG 3.5Å; V127-M177 VanDerWaalsContact CG2-CG 3.5Å; V127-M177 HydrophobicContact CG2-SD 3.71Å; A135-M177 HydrophobicContact CB-CE 3.79Å; A135-M177 HydrophobicContact CB-SD 3.74Å; L139-M177 HydrophobicContact CD1-SD 3.62Å; L173-M177 VanDerWaalsContact O-CG 3.25Å; L173-M177 WeakPolarHBondContact O-CG 3.48Å; L173-M177 PolarHBondContact O-N 3.37Å; R174-M177 WeakPolarHBondContact O-CB 3.35Å; R174-M177 PolarHBondContact O-N 2.89Å; R174-M177 VanDerWaalsContact O-N 3.08Å; M177-G179 PolarHBondContact O-N 3.41Å |
| 178 | S | 87.6 | Confident | 75.2 | Confident | 66 Ų | 66 | 58.1 Ų | 58.1 | 46% | 0.462 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.4 | -14.6 | 177.9 | 64.4 | 0 | 0 | 0 | 0 | 113 | R174 S175 E180 | R174-S178 PolarHBondContact O-N 3.44Å; S175-S178 PolarHBondContact O-OG 2.87Å; S175-S178 VanDerWaalsContact O-OG 3.07Å; S178-E180 WeakPolarHBondContact CB-OE1 3.21Å; S178-E180 PolarHBondContact O-N 3.46Å; S178-E180 VanDerWaalsContact OG-CG 3.29Å; S178-E180 WeakPolarHBondContact OG-CG 3.36Å; S178-E180 PolarHBondContact OG-OE1 3.45Å |
| 179 | G | 78.4 | Confident | 73.3 | Confident | 55 Ų | 55 | 60 Ų | 60 | 57% | 0.567 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 19.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S175 R176 M177 C181 | S175-G179 PolarHBondContact O-N 2.98Å; R176-G179 PolarHBondContact O-N 3.45Å; M177-G179 PolarHBondContact O-N 3.41Å; G179-C181 PolarHBondContact O-N 3.19Å |
| 180 | E | 67.9 | Low | 71.3 | Confident | 132 Ų | 132 | 65.4 Ų | 65.4 | 62% | 0.617 | 39% | 0.393 | S | S | * | . | trans | -69.3 | 74.6 | 173.7 | -76.9 | 165.6 | -131.9 | 0 | 0 | 110.3 | S175 S178 R182 | S175-E180 PolarHBondContact O-N 3.05Å; S178-E180 WeakPolarHBondContact CB-OE1 3.21Å; S178-E180 PolarHBondContact O-N 3.46Å; S178-E180 VanDerWaalsContact OG-CG 3.29Å; S178-E180 WeakPolarHBondContact OG-CG 3.36Å; S178-E180 PolarHBondContact OG-OE1 3.45Å; E180-R182 PolarHBondContact O-N 2.97Å | ||
| 181 | C | 64.2 | Low | 70.1 | Confident | 69 Ų | 69 | 68.4 Ų | 68.4 | 47% | 0.466 | 41% | 0.408 | S | S | . | . | trans | -73.7 | 99.8 | 164.9 | -100.6 | 0 | 0 | 0 | 0 | 108.4 | G179 P183 C426 | G179-C181 PolarHBondContact O-N 3.19Å; C181-P183 WeakPolarHBondContact O-CD 3.48Å; C181-C426 WeakPolarHBondContact CA-SG 2.91Å; C181-C426 HydrophobicContact CB-CB 4.32Å; C181-C426 WeakPolarHBondContact CB-SG 3.35Å; C181-C426 WeakPolarHBondContact SG-CB 3.25Å; C181-C426 CovalentContact SG-SG 2.01Å; C181-C426 PolarHBondContact SG-SG 3.32Å | ||
| 182 | R | 60.8 | Low | 69.3 | Low | 139 Ų | 139 | 67.1 Ų | 67.1 | 53% | 0.525 | 41% | 0.414 | S | S | . | . | trans | -65.4 | 122.2 | 163.9 | -78.3 | -178.9 | 70.7 | 99.1 | 0.9 | 107.9 | E180 T184 | E180-R182 PolarHBondContact O-N 2.97Å; R182-T184 PolarHBondContact O-N 3.19Å | ||
| 183 | P | 51 | Low | 68.8 | Low | 73 Ų | 73 | 77.2 Ų | 77.2 | 47% | 0.474 | 45% | 0.452 | S | S | . | . | trans | -62.2 | 125.8 | 169.9 | -8.9 | 21.8 | 0 | 0 | 0 | 108.2 | C181 A185 D186 | C181-P183 WeakPolarHBondContact O-CD 3.48Å; P183-A185 PolarHBondContact O-N 2.92Å; P183-D186 PolarHBondContact O-N 2.94Å; P183-D186 VanDerWaalsContact O-N 3.16Å | ||
| 184 | T | 48.9 | Very low | 68.2 | Low | 28 Ų | 28 | 79.4 Ų | 79.4 | 17% | 0.172 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -6.5 | 174 | 67 | 0 | 0 | 0 | 0 | 113.1 | R182 S334 G428 | R182-T184 PolarHBondContact O-N 3.19Å; T184-S334 PolarHBondContact OG1-OG 2.89Å; T184-G428 WeakPolarHBondContact CG2-O 3.45Å |
| 185 | A | 44.1 | Very low | 67.8 | Low | 92 Ų | 92 | 78.3 Ų | 78.3 | 76% | 0.76 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -23.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P183 A187 | P183-A185 PolarHBondContact O-N 2.92Å; A185-A187 PolarHBondContact O-N 3.32Å |
| 186 | D | 43.7 | Very low | 67.5 | Low | 101 Ų | 101 | 81 Ų | 81 | 54% | 0.54 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -74.3 | 119.6 | 168.8 | -67 | -29.6 | 0 | 0 | 0 | 106.7 | P183 | P183-D186 PolarHBondContact O-N 2.94Å; P183-D186 VanDerWaalsContact O-N 3.16Å |
| 187 | A | 46.6 | Very low | 67.4 | Low | 73 Ų | 73 | 78.1 Ų | 78.1 | 60% | 0.603 | 46% | 0.457 | S | S | * | . | trans | -45.7 | 131 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108 | A185 A189 | A185-A187 PolarHBondContact O-N 3.32Å; A187-A189 PolarHBondContact O-N 2.89Å | ||
| 188 | P | 52.2 | Low | 67.3 | Low | 57 Ų | 57 | 75.4 Ų | 75.4 | 37% | 0.37 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -49.9 | 136 | 172.8 | 20.1 | -29.6 | 0 | 0 | 0 | 107.3 | ||
| 189 | A | 55 | Low | 67.3 | Low | 65 Ų | 65 | 74.1 Ų | 74.1 | 54% | 0.537 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -48.7 | 140.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | A187 L191 | A187-A189 PolarHBondContact O-N 2.89Å; A189-L191 PolarHBondContact O-N 2.82Å; A189-L191 VanDerWaalsContact O-N 3.08Å |
| 190 | P | 54.9 | Low | 67.7 | Low | 112 Ų | 112 | 73.7 Ų | 73.7 | 73% | 0.727 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -46.2 | 123.6 | -177.2 | -28.5 | 33.1 | 0 | 0 | 0 | 110.2 | G192 | P190-G192 PolarHBondContact O-N 3.47Å; P190-G192 VanDerWaalsContact O-N 3.1Å |
| 191 | L | 69.3 | Low | 68.8 | Low | 64 Ų | 64 | 67.4 Ų | 67.4 | 34% | 0.335 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 117.8 | -176 | -63.6 | 166.9 | 0 | 0 | 0 | 108 | A189 W195 M196 | A189-L191 PolarHBondContact O-N 2.82Å; A189-L191 VanDerWaalsContact O-N 3.08Å; L191-W195 HydrophobicContact CB-CB 4.35Å; L191-W195 HydrophobicContact CB-CD2 3.8Å; L191-W195 HydrophobicContact CB-CE3 3.44Å; L191-W195 VanDerWaalsContact CB-CE3 3.44Å; L191-W195 HydrophobicContact CB-CG 4.19Å; L191-W195 HydrophobicContact CB-CZ3 4.06Å; L191-W195 HydrophobicContact CD1-CD2 3.82Å; L191-W195 HydrophobicContact CD1-CE3 3.58Å; L191-W195 HydrophobicContact CD1-CH2 3.55Å; L191-W195 HydrophobicContact CD1-CZ2 3.79Å; L191-W195 HydrophobicContact CD1-CZ3 3.43Å; L191-W195 VanDerWaalsContact CD1-CZ3 3.43Å; L191-W195 HydrophobicContact CD2-CD2 3.92Å; L191-W195 HydrophobicContact CD2-CE3 4.36Å; L191-W195 HydrophobicContact CD2-CG 4.03Å; L191-W195 HydrophobicContact CG-CD2 4.04Å; L191-W195 HydrophobicContact CG-CE3 3.96Å; L191-W195 HydrophobicContact CG-CZ3 4.3Å; L191-M196 WeakPolarHBondContact O-CE 3.49Å |
| 192 | G | 78 | Confident | 70.1 | Confident | 43 Ų | 43 | 66 Ų | 66 | 44% | 0.443 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 168.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113 | P190 K194 W195 M196 | P190-G192 PolarHBondContact O-N 3.47Å; P190-G192 VanDerWaalsContact O-N 3.1Å; G192-K194 PolarHBondContact O-N 2.91Å; G192-K194 VanDerWaalsContact O-N 3.13Å; G192-W195 PolarHBondContact O-N 2.94Å; G192-M196 PolarHBondContact O-N 3.49Å; G192-M196 VanDerWaalsContact O-N 3.16Å |
| 193 | R | 82 | Confident | 71.4 | Confident | 212 Ų | 212 | 61.3 Ų | 61.3 | 80% | 0.8 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -48.5 | -39.7 | 175.5 | -75.8 | -180 | 162.3 | 156.2 | -6.9 | 113.6 | M196 A197 | R193-M196 HydrophobicContact CG-CE 4.44Å; R193-M196 PolarHBondContact O-N 2.79Å; R193-A197 PolarHBondContact O-N 2.75Å; R193-A197 VanDerWaalsContact O-N 3.09Å |
| 194 | K | 84.3 | Confident | 73.1 | Confident | 46 Ų | 46 | 59.1 Ų | 59.1 | 20% | 0.2 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 179.1 | -64.5 | -174.3 | 179.2 | 179.6 | 0 | 112.8 | L71 D75 G192 A197 A198 E411 | L71-K194 HydrophobicContact CB-CG 4.46Å; L71-K194 HydrophobicContact CD2-CG 4.16Å; D75-K194 IonicContact OD1-NZ 3.61Å; D75-K194 PolarHBondContact OD1-NZ 2.86Å; G192-K194 PolarHBondContact O-N 2.91Å; G192-K194 VanDerWaalsContact O-N 3.13Å; K194-A197 PolarHBondContact O-N 2.81Å; K194-A198 WeakPolarHBondContact O-CB 3.11Å; K194-A198 PolarHBondContact O-N 2.93Å; K194-E411 HydrophobicContact CB-CG 3.9Å; K194-E411 WeakPolarHBondContact CB-OE2 3.29Å; K194-E411 WeakPolarHBondContact CD-OE1 3.43Å |
| 195 | W | 85.5 | Confident | 75.1 | Confident | 58 Ų | 58 | 58.7 Ų | 58.7 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 176.6 | 179.9 | 86.7 | 0 | 0 | 0 | 111.4 | L191 G192 A197 A198 D199 | L191-W195 HydrophobicContact CB-CB 4.35Å; L191-W195 HydrophobicContact CB-CD2 3.8Å; L191-W195 HydrophobicContact CB-CE3 3.44Å; L191-W195 VanDerWaalsContact CB-CE3 3.44Å; L191-W195 HydrophobicContact CB-CG 4.19Å; L191-W195 HydrophobicContact CB-CZ3 4.06Å; L191-W195 HydrophobicContact CD1-CD2 3.82Å; L191-W195 HydrophobicContact CD1-CE3 3.58Å; L191-W195 HydrophobicContact CD1-CH2 3.55Å; L191-W195 HydrophobicContact CD1-CZ2 3.79Å; L191-W195 HydrophobicContact CD1-CZ3 3.43Å; L191-W195 VanDerWaalsContact CD1-CZ3 3.43Å; L191-W195 HydrophobicContact CD2-CD2 3.92Å; L191-W195 HydrophobicContact CD2-CE3 4.36Å; L191-W195 HydrophobicContact CD2-CG 4.03Å; L191-W195 HydrophobicContact CG-CD2 4.04Å; L191-W195 HydrophobicContact CG-CE3 3.96Å; L191-W195 HydrophobicContact CG-CZ3 4.3Å; G192-W195 PolarHBondContact O-N 2.94Å; W195-A197 VanDerWaalsContact C-N 3.31Å; W195-A197 PolarHBondContact O-N 3.21Å; W195-A198 WeakPolarHBondContact O-CB 3.41Å; W195-A198 PolarHBondContact O-N 3.31Å; W195-D199 HydrophobicContact CE3-CB 4.44Å; W195-D199 HydrophobicContact CH2-CB 4.12Å; W195-D199 HydrophobicContact CZ2-CB 4.18Å; W195-D199 HydrophobicContact CZ3-CB 4.25Å; W195-D199 WeakPolarHBondContact O-CB 3.45Å; W195-D199 PolarHBondContact O-N 3.05Å |
| 196 | M | 84 | Confident | 77.4 | Confident | 95 Ų | 95 | 54.3 Ų | 54.3 | 47% | 0.468 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 177.3 | -72.9 | -176.4 | -98 | 0 | 0 | 112.1 | L191 G192 R193 R200 | L191-M196 WeakPolarHBondContact O-CE 3.49Å; G192-M196 PolarHBondContact O-N 3.49Å; G192-M196 VanDerWaalsContact O-N 3.16Å; R193-M196 HydrophobicContact CG-CE 4.44Å; R193-M196 PolarHBondContact O-N 2.79Å; M196-R200 WeakPolarHBondContact O-CB 3.4Å; M196-R200 PolarHBondContact O-N 2.68Å |
| 197 | A | 86.4 | Confident | 79.8 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E67 L71 R193 K194 W195 R200 I201 L407 | E67-A197 HydrophobicContact CG-CB 4.31Å; L71-A197 HydrophobicContact CD1-CB 3.46Å; L71-A197 VanDerWaalsContact CD1-CB 3.46Å; R193-A197 PolarHBondContact O-N 2.75Å; R193-A197 VanDerWaalsContact O-N 3.09Å; K194-A197 PolarHBondContact O-N 2.81Å; W195-A197 VanDerWaalsContact C-N 3.31Å; W195-A197 PolarHBondContact O-N 3.21Å; A197-R200 PolarHBondContact O-N 2.83Å; A197-I201 WeakPolarHBondContact O-CB 3.25Å; A197-I201 VanDerWaalsContact O-CG1 3.23Å; A197-I201 WeakPolarHBondContact O-CG1 3.43Å; A197-I201 PolarHBondContact O-N 3.33Å; A197-L407 HydrophobicContact CB-CD2 4.07Å |
| 198 | A | 89.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K194 W195 I201 L202 L407 V408 E411 | K194-A198 WeakPolarHBondContact O-CB 3.11Å; K194-A198 PolarHBondContact O-N 2.93Å; W195-A198 WeakPolarHBondContact O-CB 3.41Å; W195-A198 PolarHBondContact O-N 3.31Å; A198-I201 PolarHBondContact O-N 2.86Å; A198-L202 WeakPolarHBondContact O-CB 3.01Å; A198-L202 PolarHBondContact O-N 2.93Å; A198-L407 HydrophobicContact CB-CG 4.29Å; A198-V408 HydrophobicContact CB-CG2 4.47Å; A198-E411 HydrophobicContact CB-CB 3.83Å |
| 199 | D | 87 | Confident | 84.2 | Confident | 40 Ų | 40 | 45.6 Ų | 45.6 | 21% | 0.214 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 177.3 | -178.2 | 53.9 | 0 | 0 | 0 | 111.1 | W195 I201 L202 Q203 | W195-D199 HydrophobicContact CE3-CB 4.44Å; W195-D199 HydrophobicContact CH2-CB 4.12Å; W195-D199 HydrophobicContact CZ2-CB 4.18Å; W195-D199 HydrophobicContact CZ3-CB 4.25Å; W195-D199 WeakPolarHBondContact O-CB 3.45Å; W195-D199 PolarHBondContact O-N 3.05Å; D199-I201 PolarHBondContact O-N 3.04Å; D199-L202 WeakPolarHBondContact O-CB 3.37Å; D199-L202 PolarHBondContact O-N 3.48Å; D199-Q203 VanDerWaalsContact O-CG 3.27Å; D199-Q203 WeakPolarHBondContact O-CG 3.35Å; D199-Q203 PolarHBondContact O-N 2.92Å; D199-Q203 PolarHBondContact OD1-NE2 3.22Å; D199-Q203 PolarHBondContact OD2-NE2 3.37Å |
| 200 | R | 87.3 | Confident | 86.1 | Confident | 46 Ų | 46 | 43.9 Ų | 43.9 | 17% | 0.174 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -48 | 174.7 | -174.4 | -178.3 | -177.3 | 169.6 | 4.9 | 112.2 | S23 L64 M196 A197 L202 Q203 E204 | S23-R200 PolarHBondContact O-NH2 2.88Å; L64-R200 HydrophobicContact CD2-CG 4.4Å; M196-R200 WeakPolarHBondContact O-CB 3.4Å; M196-R200 PolarHBondContact O-N 2.68Å; A197-R200 PolarHBondContact O-N 2.83Å; R200-L202 VanDerWaalsContact C-N 3.32Å; R200-L202 PolarHBondContact O-N 2.8Å; R200-Q203 PolarHBondContact O-N 2.91Å; R200-E204 WeakPolarHBondContact O-CG 3.31Å; R200-E204 PolarHBondContact O-N 3.13Å |
| 201 | I | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 177.2 | -73.9 | 168.4 | 0 | 0 | 0 | 110.6 | L64 A68 A197 A198 D199 E204 L205 F396 C404 L407 V408 | L64-I201 HydrophobicContact CB-CG1 4.3Å; L64-I201 HydrophobicContact CD2-CG1 3.99Å; A68-I201 HydrophobicContact CB-CD1 4.1Å; A197-I201 WeakPolarHBondContact O-CB 3.25Å; A197-I201 VanDerWaalsContact O-CG1 3.23Å; A197-I201 WeakPolarHBondContact O-CG1 3.43Å; A197-I201 PolarHBondContact O-N 3.33Å; A198-I201 PolarHBondContact O-N 2.86Å; D199-I201 PolarHBondContact O-N 3.04Å; I201-E204 PolarHBondContact O-N 3.02Å; I201-L205 HydrophobicContact CG2-CD1 4.22Å; I201-L205 WeakPolarHBondContact O-CB 2.91Å; I201-L205 WeakPolarHBondContact O-CG 3.38Å; I201-L205 PolarHBondContact O-N 3.11Å; I201-F396 HydrophobicContact CG2-CE1 3.53Å; I201-F396 HydrophobicContact CG2-CZ 3.97Å; I201-C404 HydrophobicContact CD1-CB 4.37Å; I201-C404 HydrophobicContact CG2-CB 3.78Å; I201-L407 HydrophobicContact CD1-CD2 4.01Å; I201-V408 HydrophobicContact CB-CG2 4.1Å; I201-V408 HydrophobicContact CG2-CG2 3.61Å |
| 202 | L | 90.6 | Very high | 89.4 | Confident | 39 Ų | 39 | 35.7 Ų | 35.7 | 20% | 0.204 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 178.1 | 178.2 | 65.4 | 0 | 0 | 0 | 110.8 | A198 D199 R200 E204 S206 F208 L392 V408 | A198-L202 WeakPolarHBondContact O-CB 3.01Å; A198-L202 PolarHBondContact O-N 2.93Å; D199-L202 WeakPolarHBondContact O-CB 3.37Å; D199-L202 PolarHBondContact O-N 3.48Å; R200-L202 VanDerWaalsContact C-N 3.32Å; R200-L202 PolarHBondContact O-N 2.8Å; L202-E204 VanDerWaalsContact C-N 3.34Å; L202-E204 PolarHBondContact O-N 3.23Å; L202-S206 WeakPolarHBondContact CD1-OG 3.39Å; L202-S206 VanDerWaalsContact O-CB 3.29Å; L202-S206 WeakPolarHBondContact O-CB 3.39Å; L202-S206 PolarHBondContact O-N 2.87Å; L202-S206 VanDerWaalsContact O-N 3.11Å; L202-S206 PolarHBondContact O-OG 2.9Å; L202-F208 HydrophobicContact CD1-CD2 4.24Å; L202-L392 HydrophobicContact CD1-CD2 3.38Å; L202-V408 HydrophobicContact CB-CG1 4.4Å; L202-V408 HydrophobicContact CB-CG2 4.39Å; L202-V408 HydrophobicContact CD1-CG1 4.17Å |
| 203 | Q | 89.9 | Confident | 90.3 | Very high | 41 Ų | 41 | 34.6 Ų | 34.6 | 19% | 0.192 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 179 | -71 | -178.7 | 25.8 | 0 | 0 | 112 | W27 D199 R200 A209 K210 | W27-Q203 HydrophobicContact CH2-CB 3.85Å; W27-Q203 WeakPolarHBondContact CH2-O 3.37Å; W27-Q203 VanDerWaalsContact CZ2-C 3.45Å; W27-Q203 HydrophobicContact CZ2-CB 3.86Å; W27-Q203 WeakPolarHBondContact CZ2-O 3.44Å; D199-Q203 VanDerWaalsContact O-CG 3.27Å; D199-Q203 WeakPolarHBondContact O-CG 3.35Å; D199-Q203 PolarHBondContact O-N 2.92Å; D199-Q203 PolarHBondContact OD1-NE2 3.22Å; D199-Q203 PolarHBondContact OD2-NE2 3.37Å; R200-Q203 PolarHBondContact O-N 2.91Å; Q203-A209 HydrophobicContact CB-CB 4.23Å; Q203-A209 HydrophobicContact CG-CB 3.73Å; Q203-K210 WeakPolarHBondContact O-CE 3.25Å |
| 204 | E | 86.7 | Confident | 90.9 | Very high | 27 Ų | 27 | 25.8 Ų | 25.8 | 13% | 0.126 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.7 | -45.5 | -178 | -69.9 | -57.8 | 162 | 0 | 0 | 112.9 | W27 L64 R200 I201 L202 K210 | W27-E204 PolarHBondContact NE1-OE1 3.43Å; W27-E204 PolarHBondContact NE1-OE2 2.86Å; L64-E204 HydrophobicContact CD1-CB 4.17Å; L64-E204 HydrophobicContact CD1-CG 4.32Å; R200-E204 WeakPolarHBondContact O-CG 3.31Å; R200-E204 PolarHBondContact O-N 3.13Å; I201-E204 PolarHBondContact O-N 3.02Å; L202-E204 VanDerWaalsContact C-N 3.34Å; L202-E204 PolarHBondContact O-N 3.23Å; E204-K210 WeakPolarHBondContact O-CE 3.38Å; E204-K210 IonicContact OE2-NZ 3.76Å |
| 205 | L | 89 | Confident | 91.6 | Very high | 18 Ų | 18 | 23.6 Ų | 23.6 | 9% | 0.094 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -96.4 | -5.2 | -166.3 | -54.3 | -167.6 | 0 | 0 | 0 | 114 | M61 I201 C395 F396 | M61-L205 HydrophobicContact CE-CD1 3.6Å; M61-L205 HydrophobicContact CE-CD2 3.34Å; M61-L205 HydrophobicContact CE-CG 4.14Å; M61-L205 HydrophobicContact SD-CD1 4.49Å; M61-L205 HydrophobicContact SD-CD2 3.34Å; M61-L205 WeakPolarHBondContact SD-CD2 3.34Å; I201-L205 HydrophobicContact CG2-CD1 4.22Å; I201-L205 WeakPolarHBondContact O-CB 2.91Å; I201-L205 WeakPolarHBondContact O-CG 3.38Å; I201-L205 PolarHBondContact O-N 3.11Å; L205-C395 VanDerWaalsContact O-CB 3.25Å; L205-C395 WeakPolarHBondContact O-CB 3Å; L205-F396 HydrophobicContact CB-CD1 4.28Å; L205-F396 HydrophobicContact CB-CE1 3.71Å; L205-F396 HydrophobicContact CB-CZ 3.99Å; L205-F396 HydrophobicContact CD1-CD1 3.8Å; L205-F396 HydrophobicContact CD1-CE1 3.54Å; L205-F396 HydrophobicContact CG-CE1 4.12Å |
| 206 | S | 92.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -128.1 | 159.1 | -179.3 | 82.8 | 0 | 0 | 0 | 0 | 112.6 | L202 F208 | L202-S206 WeakPolarHBondContact CD1-OG 3.39Å; L202-S206 VanDerWaalsContact O-CB 3.29Å; L202-S206 WeakPolarHBondContact O-CB 3.39Å; L202-S206 PolarHBondContact O-N 2.87Å; L202-S206 VanDerWaalsContact O-N 3.11Å; L202-S206 PolarHBondContact O-OG 2.9Å; S206-F208 VanDerWaalsContact C-N 3.34Å; S206-F208 PolarHBondContact O-N 2.87Å; S206-F208 WeakPolarHBondContact OG-CD2 3.37Å |
| 207 | P | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -79.2 | -8.8 | 179.9 | 26.8 | -30.8 | 0 | 0 | 0 | 114.6 | A209 K210 F211 F461 F464 L475 | P207-A209 PolarHBondContact O-N 2.84Å; P207-K210 PolarHBondContact O-N 2.88Å; P207-F211 WeakPolarHBondContact O-CB 3.42Å; P207-F211 PolarHBondContact O-N 2.93Å; P207-F461 HydrophobicContact CB-CD2 3.66Å; P207-F461 HydrophobicContact CB-CE2 3.77Å; P207-F461 HydrophobicContact CB-CG 4.08Å; P207-F461 HydrophobicContact CB-CZ 4.27Å; P207-F461 HydrophobicContact CG-CB 4.25Å; P207-F461 HydrophobicContact CG-CD1 4.28Å; P207-F461 HydrophobicContact CG-CD2 4.04Å; P207-F461 HydrophobicContact CG-CE2 4.47Å; P207-F461 HydrophobicContact CG-CG 3.94Å; P207-F464 HydrophobicContact CG-CD1 3.62Å; P207-F464 HydrophobicContact CG-CD2 3.95Å; P207-F464 HydrophobicContact CG-CE1 3.41Å; P207-F464 VanDerWaalsContact CG-CE1 3.41Å; P207-F464 HydrophobicContact CG-CE2 3.76Å; P207-F464 HydrophobicContact CG-CG 3.86Å; P207-F464 HydrophobicContact CG-CZ 3.45Å; P207-F464 VanDerWaalsContact CG-CZ 3.45Å; P207-L475 HydrophobicContact CB-CD1 4.49Å; P207-L475 HydrophobicContact CB-CD2 4.09Å; P207-L475 HydrophobicContact CG-CD2 4.01Å |
| 208 | F | 95.9 | Very high | 93.2 | Very high | 32 Ų | 32 | 17.4 Ų | 17.4 | 14% | 0.14 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.9 | -58.6 | -167.8 | -69.6 | -76.4 | 0 | 0 | 0 | 112.9 | L202 S206 F211 A212 V388 S391 L392 F464 L475 L482 T483 | L202-F208 HydrophobicContact CD1-CD2 4.24Å; S206-F208 VanDerWaalsContact C-N 3.34Å; S206-F208 PolarHBondContact O-N 2.87Å; S206-F208 WeakPolarHBondContact OG-CD2 3.37Å; F208-F211 PolarHBondContact O-N 2.83Å; F208-A212 WeakPolarHBondContact O-CB 3.38Å; F208-A212 PolarHBondContact O-N 3.38Å; F208-A212 VanDerWaalsContact O-N 3.08Å; F208-V388 HydrophobicContact CZ-CG1 4.47Å; F208-S391 WeakPolarHBondContact CZ-OG 3.36Å; F208-L392 HydrophobicContact CD2-CD2 4.27Å; F208-L392 HydrophobicContact CE2-CD2 3.77Å; F208-L392 HydrophobicContact CE2-CG 4.43Å; F208-F464 HydrophobicContact CE2-CZ 4.48Å; F208-F464 HydrophobicContact CZ-CE1 4.26Å; F208-L475 HydrophobicContact CD1-CD2 4.02Å; F208-L475 HydrophobicContact CE1-CD2 4.36Å; F208-L482 HydrophobicContact CE1-CB 3.91Å; F208-L482 HydrophobicContact CE1-CD1 3.74Å; F208-L482 HydrophobicContact CZ-CD1 3.73Å; F208-T483 HydrophobicContact CD1-CG2 3.89Å |
| 209 | A | 94 | Very high | 93.5 | Very high | 16 Ų | 16 | 17.4 Ų | 17.4 | 13% | 0.132 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.2 | -42 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W27 Q203 P207 F211 A212 H213 | W27-A209 HydrophobicContact CH2-CB 4.12Å; W27-A209 HydrophobicContact CZ3-CB 4.45Å; Q203-A209 HydrophobicContact CB-CB 4.23Å; Q203-A209 HydrophobicContact CG-CB 3.73Å; P207-A209 PolarHBondContact O-N 2.84Å; A209-F211 VanDerWaalsContact C-N 3.3Å; A209-F211 PolarHBondContact O-N 2.95Å; A209-A212 PolarHBondContact O-N 2.59Å; A209-H213 VanDerWaalsContact O-CB 3.28Å; A209-H213 WeakPolarHBondContact O-CB 3.45Å; A209-H213 PolarHBondContact O-CD2 2.94Å; A209-H213 PolarHBondContact O-N 2.72Å; A209-H213 PolarHBondContact O-ND1 2.85Å |
| 210 | K | 95 | Very high | 93.9 | Very high | 30 Ų | 30 | 15.5 Ų | 15.5 | 13% | 0.13 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.2 | -45.3 | 177.1 | -65.6 | 178.2 | -156.7 | -66.7 | 0 | 111.1 | W27 Q203 E204 P207 F214 L457 | W27-K210 HydrophobicContact CD2-CG 4.39Å; W27-K210 HydrophobicContact CE3-CG 3.73Å; W27-K210 HydrophobicContact CH2-CD 4.32Å; W27-K210 HydrophobicContact CH2-CG 3.4Å; W27-K210 VanDerWaalsContact CH2-CG 3.4Å; W27-K210 HydrophobicContact CZ2-CG 4.1Å; W27-K210 HydrophobicContact CZ3-CB 4.08Å; W27-K210 HydrophobicContact CZ3-CD 4.36Å; W27-K210 HydrophobicContact CZ3-CG 3.2Å; Q203-K210 WeakPolarHBondContact O-CE 3.25Å; E204-K210 WeakPolarHBondContact O-CE 3.38Å; E204-K210 IonicContact OE2-NZ 3.76Å; P207-K210 PolarHBondContact O-N 2.88Å; K210-F214 HydrophobicContact CB-CD2 4.4Å; K210-F214 HydrophobicContact CB-CE2 4.1Å; K210-F214 VanDerWaalsContact O-CB 3.3Å; K210-F214 WeakPolarHBondContact O-CB 3.5Å; K210-F214 VanDerWaalsContact O-CD2 3.3Å; K210-F214 WeakPolarHBondContact O-CD2 3.39Å; K210-F214 WeakPolarHBondContact O-CG 3.32Å; K210-F214 PolarHBondContact O-N 2.88Å; K210-L457 HydrophobicContact CB-CD1 4.08Å; K210-L457 HydrophobicContact CB-CD2 3.83Å; K210-L457 HydrophobicContact CD-CD1 4.38Å |
| 211 | F | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.5 | -49.2 | 179.3 | 173.5 | -92.2 | 0 | 0 | 0 | 111.4 | P207 F208 A209 T215 L457 V466 L473 L475 T483 V485 | P207-F211 WeakPolarHBondContact O-CB 3.42Å; P207-F211 PolarHBondContact O-N 2.93Å; F208-F211 PolarHBondContact O-N 2.83Å; A209-F211 VanDerWaalsContact C-N 3.3Å; A209-F211 PolarHBondContact O-N 2.95Å; F211-T215 WeakPolarHBondContact O-CB 3.32Å; F211-T215 PolarHBondContact O-N 2.95Å; F211-T215 VanDerWaalsContact O-N 3.07Å; F211-T215 PolarHBondContact O-OG1 2.84Å; F211-L457 HydrophobicContact CB-CD2 3.8Å; F211-L457 VanDerWaalsContact N-CD2 3.32Å; F211-V466 HydrophobicContact CD2-CG2 4.37Å; F211-V466 HydrophobicContact CE2-CG1 4.24Å; F211-V466 HydrophobicContact CE2-CG2 3.77Å; F211-L473 HydrophobicContact CE2-CD2 4.1Å; F211-L473 HydrophobicContact CE2-CG 4.15Å; F211-L473 HydrophobicContact CZ-CB 4.26Å; F211-L473 HydrophobicContact CZ-CD2 4.16Å; F211-L473 HydrophobicContact CZ-CG 3.85Å; F211-L475 HydrophobicContact CB-CB 4.46Å; F211-L475 HydrophobicContact CB-CD1 4.4Å; F211-L475 HydrophobicContact CB-CD2 4.1Å; F211-L475 HydrophobicContact CD1-CB 3.6Å; F211-L475 HydrophobicContact CD2-CB 4.06Å; F211-L475 HydrophobicContact CD2-CD1 4.03Å; F211-L475 HydrophobicContact CE1-CB 3.73Å; F211-L475 HydrophobicContact CE2-CB 4.17Å; F211-L475 HydrophobicContact CG-CB 3.76Å; F211-L475 HydrophobicContact CG-CD1 4.18Å; F211-L475 HydrophobicContact CG-CD2 4.29Å; F211-L475 HydrophobicContact CG-CG 4.3Å; F211-L475 HydrophobicContact CZ-CB 4.01Å; F211-L475 VanDerWaalsContact CZ-N 3.32Å; F211-T483 HydrophobicContact CD1-CG2 4.19Å; F211-V485 HydrophobicContact CE1-CG2 4.24Å |
| 212 | A | 96.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 3% | 0.025 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.6 | -53.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F208 A209 A216 T355 V485 | F208-A212 WeakPolarHBondContact O-CB 3.38Å; F208-A212 PolarHBondContact O-N 3.38Å; F208-A212 VanDerWaalsContact O-N 3.08Å; A209-A212 PolarHBondContact O-N 2.59Å; A212-A216 WeakPolarHBondContact O-CB 3.22Å; A212-A216 PolarHBondContact O-N 2.91Å; A212-T355 HydrophobicContact CB-CG2 3.66Å; A212-V485 HydrophobicContact CB-CG2 4.45Å |
| 213 | H | 96.2 | Very high | 94.7 | Very high | 20 Ų | 20 | 16.3 Ų | 16.3 | 9% | 0.093 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.4 | -50.2 | -176.5 | -62.2 | 166 | 0 | 0 | 0 | 112.4 | A209 A216 N217 Q242 | A209-H213 VanDerWaalsContact O-CB 3.28Å; A209-H213 WeakPolarHBondContact O-CB 3.45Å; A209-H213 PolarHBondContact O-CD2 2.94Å; A209-H213 PolarHBondContact O-N 2.72Å; A209-H213 PolarHBondContact O-ND1 2.85Å; H213-A216 PolarHBondContact O-N 3.49Å; H213-N217 WeakPolarHBondContact O-CB 3.29Å; H213-N217 PolarHBondContact O-N 3.15Å; H213-N217 PolarHBondContact O-ND2 2.79Å; H213-N217 PolarHBondContact O-OD1 2.83Å; H213-Q242 HydrophobicContact CB-CB 4.14Å; H213-Q242 HydrophobicContact CB-CG 3.95Å |
| 214 | F | 96.2 | Very high | 94.8 | Very high | 27 Ų | 27 | 14.4 Ų | 14.4 | 12% | 0.118 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.6 | -40.4 | -176.3 | -62.1 | -20.5 | 0 | 0 | 0 | 111.9 | W27 P29 K210 A216 N217 Q218 Q453 L457 | W27-F214 HydrophobicContact CE3-CZ 4.35Å; P29-F214 HydrophobicContact CB-CE1 4.02Å; P29-F214 HydrophobicContact CB-CE2 4.43Å; P29-F214 HydrophobicContact CB-CZ 3.95Å; P29-F214 HydrophobicContact CG-CE1 4.29Å; K210-F214 HydrophobicContact CB-CD2 4.4Å; K210-F214 HydrophobicContact CB-CE2 4.1Å; K210-F214 VanDerWaalsContact O-CB 3.3Å; K210-F214 WeakPolarHBondContact O-CB 3.5Å; K210-F214 VanDerWaalsContact O-CD2 3.3Å; K210-F214 WeakPolarHBondContact O-CD2 3.39Å; K210-F214 WeakPolarHBondContact O-CG 3.32Å; K210-F214 PolarHBondContact O-N 2.88Å; F214-A216 PolarHBondContact O-N 2.92Å; F214-N217 PolarHBondContact O-N 3.49Å; F214-Q218 VanDerWaalsContact O-CB 3.3Å; F214-Q218 WeakPolarHBondContact O-CB 3.27Å; F214-Q218 PolarHBondContact O-N 3.01Å; F214-Q453 PolarHBondContact O-OE1 3.45Å; F214-L457 HydrophobicContact CD2-CD2 4.26Å |
| 215 | T | 97.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 175.8 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | F211 A219 L473 V485 | F211-T215 WeakPolarHBondContact O-CB 3.32Å; F211-T215 PolarHBondContact O-N 2.95Å; F211-T215 VanDerWaalsContact O-N 3.07Å; F211-T215 PolarHBondContact O-OG1 2.84Å; T215-A219 PolarHBondContact O-N 3.22Å; T215-A219 VanDerWaalsContact O-N 3.15Å; T215-L473 HydrophobicContact CG2-CB 4.09Å; T215-L473 HydrophobicContact CG2-CD2 3.66Å; T215-L473 HydrophobicContact CG2-CG 4.45Å; T215-V485 HydrophobicContact CG2-CB 3.77Å; T215-V485 HydrophobicContact CG2-CG1 3.86Å; T215-V485 HydrophobicContact CG2-CG2 4.17Å |
| 216 | A | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A212 H213 F214 Q218 A219 I220 V353 V485 | A212-A216 WeakPolarHBondContact O-CB 3.22Å; A212-A216 PolarHBondContact O-N 2.91Å; H213-A216 PolarHBondContact O-N 3.49Å; F214-A216 PolarHBondContact O-N 2.92Å; A216-Q218 VanDerWaalsContact C-N 3.32Å; A216-Q218 PolarHBondContact O-N 3.39Å; A216-A219 WeakPolarHBondContact O-CB 3.48Å; A216-A219 PolarHBondContact O-N 3.1Å; A216-A219 VanDerWaalsContact O-N 3.11Å; A216-I220 VanDerWaalsContact O-CG1 3.31Å; A216-I220 WeakPolarHBondContact O-CG1 3.44Å; A216-I220 PolarHBondContact O-N 3Å; A216-V353 HydrophobicContact CB-CG1 3.61Å; A216-V485 HydrophobicContact CB-CG1 4.43Å |
| 217 | N | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.2 | -40.7 | 179.3 | -71.5 | -8 | 0 | 0 | 0 | 111.8 | H213 F214 A219 I220 L221 Q242 S245 L246 | H213-N217 WeakPolarHBondContact O-CB 3.29Å; H213-N217 PolarHBondContact O-N 3.15Å; H213-N217 PolarHBondContact O-ND2 2.79Å; H213-N217 PolarHBondContact O-OD1 2.83Å; F214-N217 PolarHBondContact O-N 3.49Å; N217-A219 VanDerWaalsContact C-N 3.32Å; N217-A219 PolarHBondContact O-N 2.57Å; N217-I220 WeakPolarHBondContact O-CB 3.36Å; N217-I220 PolarHBondContact O-N 3.38Å; N217-I220 VanDerWaalsContact O-N 3.14Å; N217-L221 VanDerWaalsContact O-CG 3.28Å; N217-L221 WeakPolarHBondContact O-CG 3.44Å; N217-L221 PolarHBondContact O-N 3.38Å; N217-Q242 PolarHBondContact ND2-O 2.66Å; N217-Q242 WeakPolarHBondContact OD1-CG 3.38Å; N217-Q242 PolarHBondContact OD1-NE2 3.42Å; N217-S245 PolarHBondContact ND2-OG 3.03Å; N217-L246 HydrophobicContact CB-CB 4.43Å; N217-L246 HydrophobicContact CB-CD1 3.93Å; N217-L246 PolarHBondContact ND2-N 3.38Å |
| 218 | Q | 95.9 | Very high | 94.9 | Very high | 25 Ų | 25 | 28.8 Ų | 28.8 | 12% | 0.117 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 175 | -175.1 | 58.3 | 34.1 | 0 | 0 | 111.7 | F214 A216 I220 L221 E222 F449 S450 | F214-Q218 VanDerWaalsContact O-CB 3.3Å; F214-Q218 WeakPolarHBondContact O-CB 3.27Å; F214-Q218 PolarHBondContact O-N 3.01Å; A216-Q218 VanDerWaalsContact C-N 3.32Å; A216-Q218 PolarHBondContact O-N 3.39Å; Q218-I220 VanDerWaalsContact C-N 3.31Å; Q218-I220 PolarHBondContact O-N 2.91Å; Q218-L221 PolarHBondContact O-N 3.42Å; Q218-E222 PolarHBondContact NE2-OE1 3.48Å; Q218-E222 WeakPolarHBondContact O-CG 3.24Å; Q218-E222 PolarHBondContact O-N 2.68Å; Q218-F449 VanDerWaalsContact CD-CE1 3.42Å; Q218-F449 HydrophobicContact CG-CD1 3.79Å; Q218-F449 HydrophobicContact CG-CE1 4.22Å; Q218-F449 VanDerWaalsContact OE1-CE1 3.24Å; Q218-S450 WeakPolarHBondContact CG-OG 3.42Å |
| 219 | A | 96.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.4 | -36.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T215 A216 N217 G223 L351 V353 R444 V487 | T215-A219 PolarHBondContact O-N 3.22Å; T215-A219 VanDerWaalsContact O-N 3.15Å; A216-A219 WeakPolarHBondContact O-CB 3.48Å; A216-A219 PolarHBondContact O-N 3.1Å; A216-A219 VanDerWaalsContact O-N 3.11Å; N217-A219 VanDerWaalsContact C-N 3.32Å; N217-A219 PolarHBondContact O-N 2.57Å; A219-G223 WeakPolarHBondContact O-CA 3.23Å; A219-G223 PolarHBondContact O-N 3.3Å; A219-L351 WeakPolarHBondContact O-CD2 3.45Å; A219-V353 HydrophobicContact CB-CG2 4.19Å; A219-R444 PolarHBondContact O-NH2 2.72Å; A219-V487 HydrophobicContact CB-CG1 4.38Å; A219-V487 HydrophobicContact CB-CG2 3.37Å |
| 220 | I | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67 | -48.2 | 175.1 | -63.2 | 170.3 | 0 | 0 | 0 | 110.4 | A216 N217 Q218 E222 G223 T224 V230 V232 W243 L246 V322 V353 | A216-I220 VanDerWaalsContact O-CG1 3.31Å; A216-I220 WeakPolarHBondContact O-CG1 3.44Å; A216-I220 PolarHBondContact O-N 3Å; N217-I220 WeakPolarHBondContact O-CB 3.36Å; N217-I220 PolarHBondContact O-N 3.38Å; N217-I220 VanDerWaalsContact O-N 3.14Å; Q218-I220 VanDerWaalsContact C-N 3.31Å; Q218-I220 PolarHBondContact O-N 2.91Å; I220-E222 PolarHBondContact O-N 2.87Å; I220-G223 PolarHBondContact O-N 2.88Å; I220-T224 HydrophobicContact CG2-CG2 4.4Å; I220-T224 WeakPolarHBondContact O-CB 3.38Å; I220-T224 WeakPolarHBondContact O-CG2 3.11Å; I220-T224 PolarHBondContact O-N 2.56Å; I220-T224 PolarHBondContact O-OG1 3Å; I220-V230 HydrophobicContact CG2-CG1 4.09Å; I220-V232 HydrophobicContact CD1-CG2 4.3Å; I220-V232 HydrophobicContact CG2-CG2 4.19Å; I220-W243 HydrophobicContact CD1-CH2 4.29Å; I220-W243 HydrophobicContact CD1-CZ3 4.03Å; I220-L246 HydrophobicContact CD1-CD2 4.43Å; I220-L246 HydrophobicContact CG2-CD1 4.44Å; I220-L246 HydrophobicContact CG2-CD2 4.21Å; I220-V322 HydrophobicContact CG1-CG1 3.99Å; I220-V353 HydrophobicContact CG1-CG2 4.14Å |
| 221 | L | 94.6 | Very high | 94.8 | Very high | 26 Ų | 26 | 26.4 Ų | 26.4 | 14% | 0.136 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.5 | -48.6 | 178.8 | -71.6 | 168.1 | 0 | 0 | 0 | 111.1 | N217 Q218 T224 A225 L246 D249 L250 | N217-L221 VanDerWaalsContact O-CG 3.28Å; N217-L221 WeakPolarHBondContact O-CG 3.44Å; N217-L221 PolarHBondContact O-N 3.38Å; Q218-L221 PolarHBondContact O-N 3.42Å; L221-T224 CarbonylContact O-C 3.56Å; L221-T224 PolarHBondContact O-N 2.86Å; L221-A225 PolarHBondContact O-N 2.9Å; L221-L246 HydrophobicContact CD1-CD1 4.46Å; L221-L246 HydrophobicContact CD2-CD1 3.88Å; L221-L246 HydrophobicContact CG-CD1 3.85Å; L221-D249 HydrophobicContact CD1-CB 3.67Å; L221-D249 HydrophobicContact CD2-CB 4.23Å; L221-L250 HydrophobicContact CD2-CD2 3.63Å; L221-L250 HydrophobicContact CD2-CG 4.05Å |
| 222 | E | 94.3 | Very high | 94.8 | Very high | 63 Ų | 63 | 26.4 Ų | 26.4 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.2 | -42.7 | 176.7 | -70.2 | 172 | -178.2 | 0 | 0 | 111.9 | Q218 I220 T224 A225 S447 | Q218-E222 PolarHBondContact NE2-OE1 3.48Å; Q218-E222 WeakPolarHBondContact O-CG 3.24Å; Q218-E222 PolarHBondContact O-N 2.68Å; I220-E222 PolarHBondContact O-N 2.87Å; E222-T224 PolarHBondContact O-N 3.45Å; E222-A225 PolarHBondContact O-N 3.24Å; E222-S447 VanDerWaalsContact CD-OG 3.29Å; E222-S447 VanDerWaalsContact OE1-CB 3.25Å; E222-S447 WeakPolarHBondContact OE1-CB 3.36Å; E222-S447 PolarHBondContact OE1-OG 2.89Å; E222-S447 VanDerWaalsContact OE2-CB 3.26Å; E222-S447 WeakPolarHBondContact OE2-CB 3.48Å; E222-S447 PolarHBondContact OE2-OG 2.84Å |
| 223 | G | 94.2 | Very high | 94.8 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 12% | 0.124 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.5 | -25.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | A219 I220 K350 | A219-G223 WeakPolarHBondContact O-CA 3.23Å; A219-G223 PolarHBondContact O-N 3.3Å; I220-G223 PolarHBondContact O-N 2.88Å; G223-K350 WeakPolarHBondContact O-CE 3.36Å; G223-K350 PolarHBondContact O-NZ 3.03Å |
| 224 | T | 93.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 14.6 | -175.3 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | I220 L221 E222 D226 D227 V230 K258 V322 | I220-T224 HydrophobicContact CG2-CG2 4.4Å; I220-T224 WeakPolarHBondContact O-CB 3.38Å; I220-T224 WeakPolarHBondContact O-CG2 3.11Å; I220-T224 PolarHBondContact O-N 2.56Å; I220-T224 PolarHBondContact O-OG1 3Å; L221-T224 CarbonylContact O-C 3.56Å; L221-T224 PolarHBondContact O-N 2.86Å; E222-T224 PolarHBondContact O-N 3.45Å; T224-D226 VanDerWaalsContact C-N 3.25Å; T224-D226 PolarHBondContact O-N 3.45Å; T224-D227 WeakPolarHBondContact CA-OD2 3.19Å; T224-D227 WeakPolarHBondContact CB-OD2 3.43Å; T224-D227 WeakPolarHBondContact CG2-OD2 3.4Å; T224-D227 PolarHBondContact O-N 2.81Å; T224-V230 HydrophobicContact CG2-CG1 4.38Å; T224-K258 PolarHBondContact O-NZ 3.33Å; T224-V322 HydrophobicContact CG2-CG2 3.58Å |
| 225 | A | 91.6 | Very high | 94.7 | Very high | 58 Ų | 58 | 24.5 Ų | 24.5 | 48% | 0.479 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -36.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L221 E222 K258 | L221-A225 PolarHBondContact O-N 2.9Å; E222-A225 PolarHBondContact O-N 3.24Å; A225-K258 VanDerWaalsContact C-NZ 3.28Å; A225-K258 PolarHBondContact O-NZ 2.81Å |
| 226 | D | 90.3 | Very high | 94.3 | Very high | 163 Ų | 163 | 27.5 Ų | 27.5 | 87% | 0.872 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -5.6 | 179.4 | -61 | -43.8 | 0 | 0 | 0 | 113.9 | T224 | T224-D226 VanDerWaalsContact C-N 3.25Å; T224-D226 PolarHBondContact O-N 3.45Å |
| 227 | D | 91.6 | Very high | 94.1 | Very high | 34 Ų | 34 | 28 Ų | 28 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | trans | -79 | 146.7 | -177.2 | -61.5 | -16.9 | 0 | 0 | 0 | 111.4 | T224 A229 K258 K350 | T224-D227 WeakPolarHBondContact CA-OD2 3.19Å; T224-D227 WeakPolarHBondContact CB-OD2 3.43Å; T224-D227 WeakPolarHBondContact CG2-OD2 3.4Å; T224-D227 PolarHBondContact O-N 2.81Å; D227-A229 VanDerWaalsContact C-N 3.31Å; D227-A229 WeakPolarHBondContact CB-O 3.43Å; D227-A229 PolarHBondContact O-N 3.34Å; D227-K258 WeakPolarHBondContact O-CD 3.45Å; D227-K258 WeakPolarHBondContact O-CE 3.3Å; D227-K258 PolarHBondContact O-NZ 2.9Å; D227-K350 IonicContact OD1-NZ 2.86Å; D227-K350 PolarHBondContact OD1-NZ 3.13Å; D227-K350 IonicContact OD2-NZ 2.68Å; D227-K350 PolarHBondContact OD2-NZ 3.1Å | ||
| 228 | A | 90.8 | Very high | 93.6 | Very high | 91 Ų | 91 | 29.2 Ų | 29.2 | 75% | 0.752 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -72.6 | -24 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P259 | A228-P259 WeakPolarHBondContact O-CD 3.34Š|
| 229 | A | 92.4 | Very high | 93.2 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -148.6 | 154.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | D227 P259 | D227-A229 VanDerWaalsContact C-N 3.31Å; D227-A229 WeakPolarHBondContact CB-O 3.43Å; D227-A229 PolarHBondContact O-N 3.34Å; A229-P259 WeakPolarHBondContact CA-O 3.31Å; A229-P259 HydrophobicContact CB-CB 4.2Å; A229-P259 HydrophobicContact CB-CG 4.44Å |
| 230 | V | 94.3 | Very high | 93 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.6 | 176.4 | -180 | 0 | 0 | 0 | 0 | 108 | I220 T224 V232 L250 P259 F260 R261 | I220-V230 HydrophobicContact CG2-CG1 4.09Å; T224-V230 HydrophobicContact CG2-CG1 4.38Å; V230-V232 HydrophobicContact CG1-CG2 4.09Å; V230-L250 HydrophobicContact CB-CD1 4.49Å; V230-L250 HydrophobicContact CG2-CD1 4.45Å; V230-L250 HydrophobicContact CG2-CD2 3.9Å; V230-P259 PolarHBondContact N-O 2.91Å; V230-F260 HydrophobicContact CB-CD2 4.07Å; V230-F260 HydrophobicContact CG1-CD2 3.93Å; V230-F260 HydrophobicContact CG1-CE2 4.2Å; V230-F260 CarbonylContact O-C 3.58Å; V230-F260 WeakPolarHBondContact O-CA 3.25Å; V230-R261 PolarHBondContact O-N 2.99Å |
| 231 | H | 96.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 113 | 173.4 | -172.3 | 179.3 | 0 | 0 | 0 | 109.5 | R261 T263 F312 C319 V322 | H231-R261 CarbonylContact C-O 3.6Å; H231-R261 WeakPolarHBondContact CA-O 3.29Å; H231-R261 HydrophobicContact CB-CB 4.32Å; H231-R261 PolarHBondContact CD2-O 3.02Å; H231-R261 VanDerWaalsContact CE1-CD 3.48Å; H231-R261 WeakPolarHBondContact CE1-CD 3.34Å; H231-R261 WeakPolarHBondContact NE2-CD 3.4Å; H231-T263 PolarHBondContact NE2-OG1 3.33Å; H231-F312 AromaticContact CE1-CZ 3.48Å; H231-F312 VanDerWaalsContact CE1-CZ 3.48Å; H231-F312 WeakPolarHBondContact CE1-CZ 3.42Å; H231-F312 AromaticContact NE2-CZ 3.69Å; H231-C319 HydrophobicContact CB-CB 4.36Å; H231-V322 PolarHBondContact O-N 3.05Å |
| 232 | V | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.1 | 175.5 | -177.7 | 0 | 0 | 0 | 0 | 110 | I220 V230 D234 W243 F260 R261 L262 T263 V322 | I220-V232 HydrophobicContact CD1-CG2 4.3Å; I220-V232 HydrophobicContact CG2-CG2 4.19Å; V230-V232 HydrophobicContact CG1-CG2 4.09Å; V232-D234 HydrophobicContact CG1-CB 4.27Å; V232-W243 HydrophobicContact CB-CH2 4.44Å; V232-W243 HydrophobicContact CB-CZ3 4.17Å; V232-W243 HydrophobicContact CG1-CH2 3.54Å; V232-W243 HydrophobicContact CG1-CZ2 4.31Å; V232-W243 HydrophobicContact CG1-CZ3 3.75Å; V232-W243 HydrophobicContact CG2-CZ3 4.11Å; V232-F260 HydrophobicContact CB-CE2 4.26Å; V232-F260 HydrophobicContact CG2-CE2 3.93Å; V232-R261 PolarHBondContact N-O 3.27Å; V232-L262 HydrophobicContact CB-CD1 4.26Å; V232-L262 HydrophobicContact CG1-CD1 4.36Å; V232-L262 CarbonylContact O-C 3.6Å; V232-T263 PolarHBondContact O-N 2.88Å; V232-V322 CarbonylContact C-O 3.53Å; V232-V322 WeakPolarHBondContact CA-O 3.47Å; V232-V322 HydrophobicContact CG2-CB 4.36Å |
| 233 | V | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 113.5 | 161.9 | 175.4 | 0 | 0 | 0 | 0 | 106.9 | L235 T263 A265 F312 V321 V322 V323 S324 I343 L347 | V233-L235 HydrophobicContact CG1-CD1 4.35Å; V233-T263 CarbonylContact C-O 3.58Å; V233-T263 WeakPolarHBondContact CA-O 3.31Å; V233-A265 HydrophobicContact CG1-CB 3.87Å; V233-F312 HydrophobicContact CG2-CE1 3.68Å; V233-F312 HydrophobicContact CG2-CZ 3.68Å; V233-V321 HydrophobicContact CB-CG1 4.15Å; V233-V321 HydrophobicContact CG2-CG1 3.59Å; V233-V322 PolarHBondContact N-O 3.23Å; V233-V323 HydrophobicContact CB-CG2 4.35Å; V233-V323 VanDerWaalsContact O-CA 3.31Å; V233-V323 WeakPolarHBondContact O-CA 3.45Å; V233-S324 PolarHBondContact O-N 2.79Å; V233-I343 HydrophobicContact CG1-CD1 4.23Å; V233-L347 HydrophobicContact CG2-CD1 4.41Å |
| 234 | D | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 137.7 | -178.4 | -175.3 | -99.7 | 0 | 0 | 0 | 111.2 | V232 N236 V237 W243 L262 T263 E264 A265 S324 | V232-D234 HydrophobicContact CG1-CB 4.27Å; D234-N236 WeakPolarHBondContact OD1-CA 3.49Å; D234-N236 PolarHBondContact OD1-N 3.42Å; D234-V237 HydrophobicContact CB-CG2 3.85Å; D234-V237 VanDerWaalsContact OD1-CA 3.3Å; D234-V237 WeakPolarHBondContact OD1-CA 3.39Å; D234-V237 VanDerWaalsContact OD1-CG2 3.31Å; D234-V237 WeakPolarHBondContact OD1-CG2 3.09Å; D234-V237 PolarHBondContact OD1-N 2.86Å; D234-W243 HydrophobicContact CB-CH2 4.18Å; D234-W243 HydrophobicContact CB-CZ2 3.47Å; D234-W243 VanDerWaalsContact CB-CZ2 3.47Å; D234-W243 VanDerWaalsContact OD2-CZ2 3.24Å; D234-W243 WeakPolarHBondContact OD2-CZ2 3.32Å; D234-L262 HydrophobicContact CB-CD1 4.04Å; D234-T263 PolarHBondContact N-O 2.88Å; D234-E264 WeakPolarHBondContact O-CA 3.29Å; D234-A265 PolarHBondContact O-N 2.9Å; D234-S324 WeakPolarHBondContact CA-O 3.44Å; D234-S324 WeakPolarHBondContact OD2-CB 3.45Å; D234-S324 VanDerWaalsContact OD2-O 3.13Å; D234-S324 PolarHBondContact OD2-OG 3.35Å |
| 235 | L | 93.4 | Very high | 93.1 | Very high | 10 Ų | 10 | 27.9 Ų | 27.9 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -96.2 | -4.8 | -174.8 | -76.8 | 64.9 | 0 | 0 | 0 | 112.7 | V233 A265 V323 S324 C325 L336 L339 L340 I343 | V233-L235 HydrophobicContact CG1-CD1 4.35Å; L235-A265 HydrophobicContact CD1-CB 4.29Å; L235-A265 HydrophobicContact CG-CB 4.31Å; L235-V323 HydrophobicContact CD1-CG1 3.84Å; L235-S324 WeakPolarHBondContact CD1-O 3.44Å; L235-S324 PolarHBondContact N-O 2.84Å; L235-S324 VanDerWaalsContact N-O 3.08Å; L235-C325 HydrophobicContact CB-CB 4.44Å; L235-C325 HydrophobicContact CD2-CB 4.22Å; L235-L336 HydrophobicContact CB-CD2 4.01Å; L235-L336 WeakPolarHBondContact O-CD2 3.31Å; L235-L339 HydrophobicContact CB-CD2 4.33Å; L235-L339 HydrophobicContact CD2-CB 4.15Å; L235-L339 HydrophobicContact CD2-CD2 3.8Å; L235-L339 HydrophobicContact CD2-CG 3.78Å; L235-L339 HydrophobicContact CG-CD2 3.69Å; L235-L339 HydrophobicContact CG-CG 4.09Å; L235-L340 HydrophobicContact CD2-CB 3.77Å; L235-L340 HydrophobicContact CD2-CD1 4.35Å; L235-I343 HydrophobicContact CD1-CD1 3.72Å; L235-I343 HydrophobicContact CD2-CD1 4.26Å; L235-I343 HydrophobicContact CG-CD1 4.1Å |
| 236 | N | 90 | Very high | 93.3 | Very high | 64 Ų | 64 | 25.1 Ų | 25.1 | 34% | 0.342 | 16% | 0.157 | S | C | . | . | trans | -153.9 | 71.4 | -179.3 | -173.3 | 18 | 0 | 0 | 0 | 111.7 | D234 G238 D326 | D234-N236 WeakPolarHBondContact OD1-CA 3.49Å; D234-N236 PolarHBondContact OD1-N 3.42Å; N236-G238 VanDerWaalsContact C-N 3.28Å; N236-G238 PolarHBondContact O-N 3.35Å; N236-D326 HydrophobicContact CB-CB 4.42Å | ||
| 237 | V | 92 | Very high | 93.6 | Very high | 9 Ų | 9 | 17.4 Ų | 17.4 | 6% | 0.055 | 12% | 0.115 | C | C | . | . | trans | -69.9 | -28.4 | -172.8 | 169.6 | 0 | 0 | 0 | 0 | 112.3 | D234 E239 G240 L262 E264 T281 Y298 | D234-V237 HydrophobicContact CB-CG2 3.85Å; D234-V237 VanDerWaalsContact OD1-CA 3.3Å; D234-V237 WeakPolarHBondContact OD1-CA 3.39Å; D234-V237 VanDerWaalsContact OD1-CG2 3.31Å; D234-V237 WeakPolarHBondContact OD1-CG2 3.09Å; D234-V237 PolarHBondContact OD1-N 2.86Å; V237-E239 PolarHBondContact O-N 2.97Å; V237-G240 PolarHBondContact O-N 3.38Å; V237-L262 HydrophobicContact CG1-CD2 4.34Å; V237-L262 HydrophobicContact CG2-CD1 4.48Å; V237-L262 HydrophobicContact CG2-CD2 4.42Å; V237-E264 HydrophobicContact CB-CB 4.47Å; V237-E264 HydrophobicContact CB-CG 4.01Å; V237-E264 HydrophobicContact CG2-CB 3.75Å; V237-E264 HydrophobicContact CG2-CG 3.68Å; V237-T281 HydrophobicContact CG1-CG2 3.88Å; V237-Y298 HydrophobicContact CG1-CE2 4.37Å | ||
| 238 | G | 87 | Confident | 93.7 | Very high | 26 Ų | 26 | 16.9 Ų | 16.9 | 27% | 0.268 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | -129.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N236 R277 T281 | N236-G238 VanDerWaalsContact C-N 3.28Å; N236-G238 PolarHBondContact O-N 3.35Å; G238-R277 PolarHBondContact O-NH1 3.03Å; G238-T281 PolarHBondContact O-OG1 3.28Å |
| 239 | E | 87.2 | Confident | 93.7 | Very high | 72 Ų | 72 | 13.1 Ų | 13.1 | 34% | 0.336 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 0.1 | 175.8 | -65.2 | -60.3 | 109.8 | 0 | 0 | 113.5 | V237 R277 R284 | V237-E239 PolarHBondContact O-N 2.97Å; E239-R277 WeakPolarHBondContact OE1-CG 3.4Å; E239-R284 IonicContact OE1-NH2 2.85Å; E239-R284 IonicContact OE2-CZ 3.21Å; E239-R284 VanDerWaalsContact OE2-CZ 3.25Å; E239-R284 IonicContact OE2-NH1 3.01Å; E239-R284 PolarHBondContact OE2-NH1 2.93Å; E239-R284 IonicContact OE2-NH2 3.56Å; E239-R284 PolarHBondContact OE2-NH2 3.36Å |
| 240 | G | 92.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | S | Bend | trans | 90.1 | 8.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | V237 Q242 W243 A244 | V237-G240 PolarHBondContact O-N 3.38Å; G240-Q242 PolarHBondContact O-N 3.01Å; G240-W243 PolarHBondContact O-N 2.98Å; G240-A244 PolarHBondContact O-N 2.97Å; G240-A244 VanDerWaalsContact O-N 3.07Å |
| 241 | A | 91.4 | Very high | 93.5 | Very high | 19 Ų | 19 | 13.9 Ų | 13.9 | 16% | 0.157 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.6 | -43.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | W243 A244 S245 | A241-W243 VanDerWaalsContact C-N 3.29Å; A241-W243 PolarHBondContact O-N 2.93Å; A241-A244 PolarHBondContact O-N 3.42Å; A241-S245 PolarHBondContact O-N 3.46Å |
| 242 | Q | 95.2 | Very high | 93 | Very high | 10 Ų | 10 | 21.5 Ų | 21.5 | 5% | 0.047 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -55.9 | -45.8 | 174.9 | -178.9 | 179.4 | -1.7 | 0 | 0 | 111.5 | H213 N217 G240 S245 L246 | H213-Q242 HydrophobicContact CB-CB 4.14Å; H213-Q242 HydrophobicContact CB-CG 3.95Å; N217-Q242 PolarHBondContact ND2-O 2.66Å; N217-Q242 WeakPolarHBondContact OD1-CG 3.38Å; N217-Q242 PolarHBondContact OD1-NE2 3.42Å; G240-Q242 PolarHBondContact O-N 3.01Å; Q242-S245 PolarHBondContact O-N 3.18Å; Q242-S245 PolarHBondContact O-OG 3.03Å; Q242-L246 PolarHBondContact O-N 3.01Å |
| 243 | W | 97.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.6 | -35.2 | -172.7 | -53.5 | 114.6 | 0 | 0 | 0 | 112.6 | I220 V232 D234 G240 A241 S245 L246 M247 F260 L262 L285 | I220-W243 HydrophobicContact CD1-CH2 4.29Å; I220-W243 HydrophobicContact CD1-CZ3 4.03Å; V232-W243 HydrophobicContact CB-CH2 4.44Å; V232-W243 HydrophobicContact CB-CZ3 4.17Å; V232-W243 HydrophobicContact CG1-CH2 3.54Å; V232-W243 HydrophobicContact CG1-CZ2 4.31Å; V232-W243 HydrophobicContact CG1-CZ3 3.75Å; V232-W243 HydrophobicContact CG2-CZ3 4.11Å; D234-W243 HydrophobicContact CB-CH2 4.18Å; D234-W243 HydrophobicContact CB-CZ2 3.47Å; D234-W243 VanDerWaalsContact CB-CZ2 3.47Å; D234-W243 VanDerWaalsContact OD2-CZ2 3.24Å; D234-W243 WeakPolarHBondContact OD2-CZ2 3.32Å; G240-W243 PolarHBondContact O-N 2.98Å; A241-W243 VanDerWaalsContact C-N 3.29Å; A241-W243 PolarHBondContact O-N 2.93Å; W243-S245 VanDerWaalsContact C-N 3.29Å; W243-S245 PolarHBondContact O-N 3.45Å; W243-L246 HydrophobicContact CE3-CD2 3.83Å; W243-L246 HydrophobicContact CZ3-CD2 3.84Å; W243-L246 PolarHBondContact O-N 2.89Å; W243-M247 WeakPolarHBondContact O-CB 3.42Å; W243-M247 WeakPolarHBondContact O-CG 3.04Å; W243-M247 PolarHBondContact O-N 3.49Å; W243-F260 HydrophobicContact CB-CE1 4.44Å; W243-F260 HydrophobicContact CD2-CZ 4.47Å; W243-F260 AromaticContact CE3-CZ 3.82Å; W243-F260 HydrophobicContact CE3-CZ 3.82Å; W243-L262 HydrophobicContact CB-CD2 3.99Å; W243-L262 VanDerWaalsContact CD1-CD2 3.41Å; W243-L262 HydrophobicContact CD2-CD1 3.69Å; W243-L262 HydrophobicContact CD2-CD2 4Å; W243-L262 HydrophobicContact CD2-CG 4.49Å; W243-L262 HydrophobicContact CE3-CD1 4.11Å; W243-L262 HydrophobicContact CG-CD1 4.11Å; W243-L262 HydrophobicContact CG-CD2 3.48Å; W243-L262 VanDerWaalsContact CG-CD2 3.48Å; W243-L262 HydrophobicContact CG-CG 4.43Å; W243-L262 HydrophobicContact CZ2-CD1 4.21Å; W243-L285 HydrophobicContact CB-CD1 4.22Å; W243-L285 HydrophobicContact CB-CD2 4.18Å |
| 244 | A | 95.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.1 | -41.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L26 G240 A241 M247 S248 L285 F288 | L26-A244 HydrophobicContact CB-CB 4.07Å; L26-A244 HydrophobicContact CD1-CB 3.83Å; L26-A244 HydrophobicContact CD2-CB 3.71Å; L26-A244 HydrophobicContact CG-CB 4.07Å; G240-A244 PolarHBondContact O-N 2.97Å; G240-A244 VanDerWaalsContact O-N 3.07Å; A241-A244 PolarHBondContact O-N 3.42Å; A244-M247 PolarHBondContact O-N 3.2Å; A244-S248 PolarHBondContact O-N 3.34Å; A244-S248 VanDerWaalsContact O-N 3.11Å; A244-S248 PolarHBondContact O-OG 3.06Å; A244-L285 HydrophobicContact CB-CD2 4.36Å; A244-F288 HydrophobicContact CB-CD1 3.93Å; A244-F288 HydrophobicContact CB-CE1 3.84Å; A244-F288 VanDerWaalsContact O-CE1 3.28Å; A244-F288 WeakPolarHBondContact O-CE1 3.46Å |
| 245 | S | 94.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | 175.9 | 70.1 | 0 | 0 | 0 | 0 | 112.3 | N217 A241 Q242 W243 M247 S248 D249 | N217-S245 PolarHBondContact ND2-OG 3.03Å; A241-S245 PolarHBondContact O-N 3.46Å; Q242-S245 PolarHBondContact O-N 3.18Å; Q242-S245 PolarHBondContact O-OG 3.03Å; W243-S245 VanDerWaalsContact C-N 3.29Å; W243-S245 PolarHBondContact O-N 3.45Å; S245-M247 PolarHBondContact O-N 2.78Å; S245-S248 WeakPolarHBondContact O-CB 3.35Å; S245-S248 PolarHBondContact O-N 3.14Å; S245-D249 PolarHBondContact O-N 3.48Å |
| 246 | L | 95.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -42.3 | 174.5 | -176.7 | 63 | 0 | 0 | 0 | 112.4 | N217 I220 L221 Q242 W243 S248 D249 L250 F260 | N217-L246 HydrophobicContact CB-CB 4.43Å; N217-L246 HydrophobicContact CB-CD1 3.93Å; N217-L246 PolarHBondContact ND2-N 3.38Å; I220-L246 HydrophobicContact CD1-CD2 4.43Å; I220-L246 HydrophobicContact CG2-CD1 4.44Å; I220-L246 HydrophobicContact CG2-CD2 4.21Å; L221-L246 HydrophobicContact CD1-CD1 4.46Å; L221-L246 HydrophobicContact CD2-CD1 3.88Å; L221-L246 HydrophobicContact CG-CD1 3.85Å; Q242-L246 PolarHBondContact O-N 3.01Å; W243-L246 HydrophobicContact CE3-CD2 3.83Å; W243-L246 HydrophobicContact CZ3-CD2 3.84Å; W243-L246 PolarHBondContact O-N 2.89Å; L246-S248 VanDerWaalsContact C-N 3.28Å; L246-S248 PolarHBondContact O-N 3.28Å; L246-D249 PolarHBondContact O-N 2.96Å; L246-L250 HydrophobicContact CD1-CG 4.4Å; L246-L250 HydrophobicContact CG-CD1 4.01Å; L246-L250 HydrophobicContact CG-CG 4.33Å; L246-L250 WeakPolarHBondContact O-CG 3.48Å; L246-L250 PolarHBondContact O-N 3.38Å; L246-F260 HydrophobicContact CD2-CE2 3.99Å; L246-F260 HydrophobicContact CD2-CZ 3.95Å |
| 247 | M | 95.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.9 | -41.6 | 177.2 | -73.4 | 172.1 | 175.3 | 0 | 0 | 111.7 | W243 A244 S245 D249 L250 A251 F260 L285 F288 A289 L292 L294 F296 | W243-M247 WeakPolarHBondContact O-CB 3.42Å; W243-M247 WeakPolarHBondContact O-CG 3.04Å; W243-M247 PolarHBondContact O-N 3.49Å; A244-M247 PolarHBondContact O-N 3.2Å; S245-M247 PolarHBondContact O-N 2.78Å; M247-D249 VanDerWaalsContact C-N 3.34Å; M247-D249 PolarHBondContact O-N 2.87Å; M247-L250 PolarHBondContact O-N 2.92Å; M247-A251 VanDerWaalsContact O-CB 3.31Å; M247-A251 WeakPolarHBondContact O-CB 3.5Å; M247-A251 PolarHBondContact O-N 3.15Å; M247-F260 HydrophobicContact CE-CD1 3.8Å; M247-F260 HydrophobicContact CE-CE1 3.77Å; M247-F260 HydrophobicContact CG-CD1 3.71Å; M247-F260 HydrophobicContact CG-CE1 3.91Å; M247-L285 HydrophobicContact CE-CB 3.98Å; M247-L285 HydrophobicContact CE-CD2 4.22Å; M247-L285 HydrophobicContact SD-CD2 4.38Å; M247-F288 HydrophobicContact CB-CD1 4.32Å; M247-F288 HydrophobicContact CB-CE1 4.13Å; M247-F288 HydrophobicContact SD-CD1 3.78Å; M247-F288 HydrophobicContact SD-CE1 4.47Å; M247-A289 HydrophobicContact CE-CB 4.14Å; M247-A289 HydrophobicContact SD-CB 4.03Å; M247-L292 HydrophobicContact CB-CD1 3.97Å; M247-L294 HydrophobicContact CB-CD2 3.74Å; M247-L294 HydrophobicContact CG-CD2 3.7Å; M247-F296 HydrophobicContact CE-CD1 3.91Å; M247-F296 HydrophobicContact CE-CD2 3.35Å; M247-F296 HydrophobicContact CE-CE1 3.74Å; M247-F296 HydrophobicContact CE-CE2 3.17Å; M247-F296 HydrophobicContact CE-CG 3.7Å; M247-F296 HydrophobicContact CE-CZ 3.36Å |
| 248 | S | 93.2 | Very high | 86 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 16% | 0.161 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 176.6 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | A244 S245 L246 A251 R252 | A244-S248 PolarHBondContact O-N 3.34Å; A244-S248 VanDerWaalsContact O-N 3.11Å; A244-S248 PolarHBondContact O-OG 3.06Å; S245-S248 WeakPolarHBondContact O-CB 3.35Å; S245-S248 PolarHBondContact O-N 3.14Å; L246-S248 VanDerWaalsContact C-N 3.28Å; L246-S248 PolarHBondContact O-N 3.28Å; S248-A251 PolarHBondContact O-N 2.71Å; S248-R252 PolarHBondContact O-N 3.31Å; S248-R252 VanDerWaalsContact O-N 3.17Å |
| 249 | D | 91.8 | Very high | 86.3 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 177.5 | -74 | -38.4 | 0 | 0 | 0 | 112.9 | L221 S245 L246 M247 R252 H253 | L221-D249 HydrophobicContact CD1-CB 3.67Å; L221-D249 HydrophobicContact CD2-CB 4.23Å; S245-D249 PolarHBondContact O-N 3.48Å; L246-D249 PolarHBondContact O-N 2.96Å; M247-D249 VanDerWaalsContact C-N 3.34Å; M247-D249 PolarHBondContact O-N 2.87Å; D249-R252 PolarHBondContact O-N 3.37Å; D249-H253 PolarHBondContact O-N 3.11Å; D249-H253 VanDerWaalsContact O-N 3.17Å; D249-H253 PolarHBondContact O-ND1 2.81Å |
| 250 | L | 92.7 | Very high | 86.6 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 176.3 | -73.1 | 173 | 0 | 0 | 0 | 112.1 | L221 V230 L246 M247 R252 G254 F260 L294 | L221-L250 HydrophobicContact CD2-CD2 3.63Å; L221-L250 HydrophobicContact CD2-CG 4.05Å; V230-L250 HydrophobicContact CB-CD1 4.49Å; V230-L250 HydrophobicContact CG2-CD1 4.45Å; V230-L250 HydrophobicContact CG2-CD2 3.9Å; L246-L250 HydrophobicContact CD1-CG 4.4Å; L246-L250 HydrophobicContact CG-CD1 4.01Å; L246-L250 HydrophobicContact CG-CG 4.33Å; L246-L250 WeakPolarHBondContact O-CG 3.48Å; L246-L250 PolarHBondContact O-N 3.38Å; M247-L250 PolarHBondContact O-N 2.92Å; L250-R252 PolarHBondContact O-N 2.96Å; L250-G254 PolarHBondContact O-N 3.41Å; L250-F260 HydrophobicContact CD1-CB 3.99Å; L250-F260 HydrophobicContact CD1-CD1 4.47Å; L250-F260 HydrophobicContact CD1-CD2 4.15Å; L250-F260 HydrophobicContact CD1-CG 3.95Å; L250-L294 HydrophobicContact CB-CD1 4.34Å |
| 251 | A | 90.6 | Very high | 86.8 | Confident | 29 Ų | 29 | 52.2 Ų | 52.2 | 24% | 0.24 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -29.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | M247 S248 L292 | M247-A251 VanDerWaalsContact O-CB 3.31Å; M247-A251 WeakPolarHBondContact O-CB 3.5Å; M247-A251 PolarHBondContact O-N 3.15Å; S248-A251 PolarHBondContact O-N 2.71Å; A251-L292 HydrophobicContact CB-CB 4.06Å; A251-L292 HydrophobicContact CB-CD1 4.25Å |
| 252 | R | 84.7 | Confident | 87.1 | Confident | 162 Ų | 162 | 51.3 Ų | 51.3 | 61% | 0.611 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -80.4 | -40.5 | -178.7 | -170.5 | 173.5 | 67.9 | 79.3 | -13.8 | 114.3 | S248 D249 L250 | S248-R252 PolarHBondContact O-N 3.31Å; S248-R252 VanDerWaalsContact O-N 3.17Å; D249-R252 PolarHBondContact O-N 3.37Å; L250-R252 PolarHBondContact O-N 2.96Å |
| 253 | H | 72.9 | Confident | 87.2 | Confident | 108 Ų | 108 | 51.1 Ų | 51.1 | 50% | 0.5 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -95.7 | -9.3 | -172.1 | -62.5 | 81.3 | 0 | 0 | 0 | 114.4 | D249 S255 | D249-H253 PolarHBondContact O-N 3.11Å; D249-H253 VanDerWaalsContact O-N 3.17Å; D249-H253 PolarHBondContact O-ND1 2.81Å; H253-S255 PolarHBondContact O-N 2.9Å; H253-S255 VanDerWaalsContact O-N 3.12Å |
| 254 | G | 61.1 | Low | 87 | Confident | 26 Ų | 26 | 51.3 Ų | 51.3 | 27% | 0.268 | 25% | 0.248 | S | C | . | . | trans | -76.9 | 98.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L250 R256 | L250-G254 PolarHBondContact O-N 3.41Å; G254-R256 CarbonylContact C-O 3.57Å; G254-R256 WeakPolarHBondContact CA-O 3.24Å; G254-R256 CarbonylContact O-C 3.53Å; G254-R256 PolarHBondContact O-N 2.99Å | ||
| 255 | S | 54.5 | Low | 86.9 | Confident | 131 Ų | 131 | 51.4 Ų | 51.4 | 92% | 0.916 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -52.8 | -24.5 | 159.4 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | H253 | H253-S255 PolarHBondContact O-N 2.9Å; H253-S255 VanDerWaalsContact O-N 3.12Å |
| 256 | R | 64.6 | Low | 86.5 | Confident | 219 Ų | 219 | 53 Ų | 53 | 83% | 0.826 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -125.7 | 128.6 | 160.1 | -68.2 | 170.9 | 73.9 | 168.3 | 2.2 | 106.6 | G254 K258 | G254-R256 CarbonylContact C-O 3.57Å; G254-R256 WeakPolarHBondContact CA-O 3.24Å; G254-R256 CarbonylContact O-C 3.53Å; G254-R256 PolarHBondContact O-N 2.99Å; R256-K258 VanDerWaalsContact C-N 3.31Å; R256-K258 PolarHBondContact O-N 2.9Å |
| 257 | R | 79 | Confident | 85.7 | Confident | 152 Ų | 152 | 56.6 Ų | 56.6 | 57% | 0.574 | 28% | 0.28 | S | S | * | . | trans | -61.6 | 91.6 | 173.4 | -67.9 | -168.4 | 172.5 | 138.6 | -5.7 | 109.5 | G293 | R257-G293 WeakPolarHBondContact CD-O 3.39Š| ||
| 258 | K | 87.6 | Confident | 84.2 | Confident | 44 Ų | 44 | 58.8 Ų | 58.8 | 19% | 0.191 | 29% | 0.294 | C | S | . | . | trans | -61.7 | 128.2 | -179 | -67.6 | -173.7 | -178.9 | -162.8 | 0 | 108.6 | T224 A225 D227 R256 F260 L294 | T224-K258 PolarHBondContact O-NZ 3.33Å; A225-K258 VanDerWaalsContact C-NZ 3.28Å; A225-K258 PolarHBondContact O-NZ 2.81Å; D227-K258 WeakPolarHBondContact O-CD 3.45Å; D227-K258 WeakPolarHBondContact O-CE 3.3Å; D227-K258 PolarHBondContact O-NZ 2.9Å; R256-K258 VanDerWaalsContact C-N 3.31Å; R256-K258 PolarHBondContact O-N 2.9Å; K258-F260 PolarHBondContact O-N 3.37Å; K258-L294 WeakPolarHBondContact O-CD1 3.31Å | ||
| 259 | P | 92.9 | Very high | 82.4 | Confident | 62 Ų | 62 | 62.6 Ų | 62.6 | 40% | 0.403 | 33% | 0.327 | S | S | . | . | trans | -58.4 | 136.2 | 172.5 | -23.5 | 34.1 | 0 | 0 | 0 | 110.6 | A228 A229 V230 P295 | A228-P259 WeakPolarHBondContact O-CD 3.34Å; A229-P259 WeakPolarHBondContact CA-O 3.31Å; A229-P259 HydrophobicContact CB-CB 4.2Å; A229-P259 HydrophobicContact CB-CG 4.44Å; V230-P259 PolarHBondContact N-O 2.91Å; P259-P295 CarbonylContact C-O 3.52Å; P259-P295 WeakPolarHBondContact CA-O 3.31Å; P259-P295 HydrophobicContact CB-CB 4.25Å; P259-P295 HydrophobicContact CG-CB 4.45Å | ||
| 260 | F | 95.4 | Very high | 80.5 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.009 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.6 | 174.8 | 177.8 | -137 | 0 | 0 | 0 | 109.8 | V230 V232 W243 L246 M247 L250 K258 L262 L294 P295 F296 Q297 | V230-F260 HydrophobicContact CB-CD2 4.07Å; V230-F260 HydrophobicContact CG1-CD2 3.93Å; V230-F260 HydrophobicContact CG1-CE2 4.2Å; V230-F260 CarbonylContact O-C 3.58Å; V230-F260 WeakPolarHBondContact O-CA 3.25Å; V232-F260 HydrophobicContact CB-CE2 4.26Å; V232-F260 HydrophobicContact CG2-CE2 3.93Å; W243-F260 HydrophobicContact CB-CE1 4.44Å; W243-F260 HydrophobicContact CD2-CZ 4.47Å; W243-F260 AromaticContact CE3-CZ 3.82Å; W243-F260 HydrophobicContact CE3-CZ 3.82Å; L246-F260 HydrophobicContact CD2-CE2 3.99Å; L246-F260 HydrophobicContact CD2-CZ 3.95Å; M247-F260 HydrophobicContact CE-CD1 3.8Å; M247-F260 HydrophobicContact CE-CE1 3.77Å; M247-F260 HydrophobicContact CG-CD1 3.71Å; M247-F260 HydrophobicContact CG-CE1 3.91Å; L250-F260 HydrophobicContact CD1-CB 3.99Å; L250-F260 HydrophobicContact CD1-CD1 4.47Å; L250-F260 HydrophobicContact CD1-CD2 4.15Å; L250-F260 HydrophobicContact CD1-CG 3.95Å; K258-F260 PolarHBondContact O-N 3.37Å; F260-L262 HydrophobicContact CE1-CB 4.32Å; F260-L262 HydrophobicContact CZ-CB 3.97Å; F260-L262 HydrophobicContact CZ-CD1 4.42Å; F260-L294 HydrophobicContact CB-CD2 4.19Å; F260-P295 PolarHBondContact N-O 2.79Å; F260-F296 HydrophobicContact CB-CD2 4.24Å; F260-F296 AromaticContact CD1-CD2 3.48Å; F260-F296 HydrophobicContact CD1-CD2 3.48Å; F260-F296 VanDerWaalsContact CD1-CD2 3.48Å; F260-F296 AromaticContact CD1-CE2 3.58Å; F260-F296 HydrophobicContact CD1-CE2 3.58Å; F260-F296 HydrophobicContact CE1-CD2 4.08Å; F260-F296 AromaticContact CE1-CE2 3.68Å; F260-F296 HydrophobicContact CE1-CE2 3.68Å; F260-F296 HydrophobicContact CG-CD2 4.09Å; F260-F296 HydrophobicContact CG-CE2 4.38Å; F260-F296 CarbonylContact O-C 3.53Å; F260-F296 VanDerWaalsContact O-CA 3.26Å; F260-F296 WeakPolarHBondContact O-CA 3.45Å; F260-F296 VanDerWaalsContact O-CD2 3.26Å; F260-F296 WeakPolarHBondContact O-CD2 3.5Å; F260-Q297 PolarHBondContact O-N 3.08Å |
| 261 | R | 96.4 | Very high | 78.7 | Confident | 82 Ų | 82 | 67.5 Ų | 67.5 | 31% | 0.309 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.1 | 172.4 | -177 | -179.4 | -69.1 | 130.5 | 0.6 | 109.1 | V230 H231 V232 Q297 | V230-R261 PolarHBondContact O-N 2.99Å; H231-R261 CarbonylContact C-O 3.6Å; H231-R261 WeakPolarHBondContact CA-O 3.29Å; H231-R261 HydrophobicContact CB-CB 4.32Å; H231-R261 PolarHBondContact CD2-O 3.02Å; H231-R261 VanDerWaalsContact CE1-CD 3.48Å; H231-R261 WeakPolarHBondContact CE1-CD 3.34Å; H231-R261 WeakPolarHBondContact NE2-CD 3.4Å; V232-R261 PolarHBondContact N-O 3.27Å; R261-Q297 WeakPolarHBondContact CA-O 3.46Å; R261-Q297 HydrophobicContact CG-CB 4.28Å |
| 262 | L | 97.8 | Very high | 77.4 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 132.6 | 171.9 | 179.7 | 63 | 0 | 0 | 0 | 109 | V232 D234 V237 W243 F260 L285 F296 Q297 Y298 G299 | V232-L262 HydrophobicContact CB-CD1 4.26Å; V232-L262 HydrophobicContact CG1-CD1 4.36Å; V232-L262 CarbonylContact O-C 3.6Å; D234-L262 HydrophobicContact CB-CD1 4.04Å; V237-L262 HydrophobicContact CG1-CD2 4.34Å; V237-L262 HydrophobicContact CG2-CD1 4.48Å; V237-L262 HydrophobicContact CG2-CD2 4.42Å; W243-L262 HydrophobicContact CB-CD2 3.99Å; W243-L262 VanDerWaalsContact CD1-CD2 3.41Å; W243-L262 HydrophobicContact CD2-CD1 3.69Å; W243-L262 HydrophobicContact CD2-CD2 4Å; W243-L262 HydrophobicContact CD2-CG 4.49Å; W243-L262 HydrophobicContact CE3-CD1 4.11Å; W243-L262 HydrophobicContact CG-CD1 4.11Å; W243-L262 HydrophobicContact CG-CD2 3.48Å; W243-L262 VanDerWaalsContact CG-CD2 3.48Å; W243-L262 HydrophobicContact CG-CG 4.43Å; W243-L262 HydrophobicContact CZ2-CD1 4.21Å; F260-L262 HydrophobicContact CE1-CB 4.32Å; F260-L262 HydrophobicContact CZ-CB 3.97Å; F260-L262 HydrophobicContact CZ-CD1 4.42Å; L262-L285 HydrophobicContact CD2-CD1 3.76Å; L262-F296 HydrophobicContact CB-CE2 3.81Å; L262-F296 HydrophobicContact CB-CZ 4.09Å; L262-Q297 PolarHBondContact N-O 3.06Å; L262-Y298 HydrophobicContact CD2-CD2 4Å; L262-Y298 HydrophobicContact CD2-CE2 3.74Å; L262-Y298 HydrophobicContact CG-CD2 4.45Å; L262-Y298 HydrophobicContact CG-CE2 4.33Å; L262-Y298 CarbonylContact O-C 3.53Å; L262-G299 PolarHBondContact O-N 3.48Å |
| 263 | T | 96.2 | Very high | 76.3 | Confident | 6 Ų | 6 | 67.4 Ų | 67.4 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 114.1 | 175 | -58.2 | 0 | 0 | 0 | 0 | 109.6 | H231 V232 V233 D234 A265 G299 L301 F312 | H231-T263 PolarHBondContact NE2-OG1 3.33Å; V232-T263 PolarHBondContact O-N 2.88Å; V233-T263 CarbonylContact C-O 3.58Å; V233-T263 WeakPolarHBondContact CA-O 3.31Å; D234-T263 PolarHBondContact N-O 2.88Å; T263-A265 PolarHBondContact O-N 3.09Å; T263-G299 CarbonylContact C-O 3.59Å; T263-G299 VanDerWaalsContact CA-O 3.31Å; T263-G299 WeakPolarHBondContact CA-O 3.29Å; T263-L301 HydrophobicContact CG2-CB 3.61Å; T263-F312 HydrophobicContact CG2-CE2 3.81Å; T263-F312 HydrophobicContact CG2-CZ 4.03Å |
| 264 | E | 94.8 | Very high | 76.4 | Confident | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.028 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 117 | 174 | -171.7 | 175 | -172.8 | 0 | 0 | 109.5 | D234 V237 V266 R277 M278 Y298 G299 S300 L301 | D234-E264 WeakPolarHBondContact O-CA 3.29Å; V237-E264 HydrophobicContact CB-CB 4.47Å; V237-E264 HydrophobicContact CB-CG 4.01Å; V237-E264 HydrophobicContact CG2-CB 3.75Å; V237-E264 HydrophobicContact CG2-CG 3.68Å; E264-V266 HydrophobicContact CG-CG1 4Å; E264-R277 IonicContact OE1-CZ 3.93Å; E264-R277 IonicContact OE1-NH1 2.79Å; E264-R277 PolarHBondContact OE1-NH1 3.01Å; E264-R277 IonicContact OE1-NH2 3.91Å; E264-R277 PolarHBondContact OE1-NH2 3.22Å; E264-M278 WeakPolarHBondContact OE2-CG 3.33Å; E264-Y298 HydrophobicContact CB-CE1 4.43Å; E264-Y298 PolarHBondContact OE2-OH 3.48Å; E264-G299 PolarHBondContact N-O 3.1Å; E264-S300 CarbonylContact O-C 3.52Å; E264-S300 WeakPolarHBondContact O-CA 3.28Å; E264-L301 PolarHBondContact O-N 3.38Å |
| 265 | A | 92.8 | Very high | 77.4 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 2% | 0.017 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V233 D234 L235 T263 L301 L339 I343 | V233-A265 HydrophobicContact CG1-CB 3.87Å; D234-A265 PolarHBondContact O-N 2.9Å; L235-A265 HydrophobicContact CD1-CB 4.29Å; L235-A265 HydrophobicContact CG-CB 4.31Å; T263-A265 PolarHBondContact O-N 3.09Å; A265-L301 WeakPolarHBondContact CA-O 3.02Å; A265-L339 HydrophobicContact CB-CD2 4.31Å; A265-I343 HydrophobicContact CB-CD1 3.98Å |
| 266 | V | 86.5 | Confident | 78.9 | Confident | 32 Ų | 32 | 67.7 Ų | 67.7 | 19% | 0.194 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139.7 | -176.1 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | E264 L301 R302 V303 | E264-V266 HydrophobicContact CG-CG1 4Å; V266-L301 PolarHBondContact N-O 3.36Å; V266-R302 HydrophobicContact CG2-CB 4.41Å; V266-R302 HydrophobicContact CG2-CG 4.45Å; V266-V303 PolarHBondContact O-N 3.03Å |
| 267 | V | 78.6 | Confident | 79.9 | Confident | 76 Ų | 76 | 60.4 Ų | 60.4 | 46% | 0.461 | 33% | 0.334 | S | S | . | . | trans | -110.6 | 88.7 | 169.7 | 176.6 | 0 | 0 | 0 | 0 | 107.5 | L339 | V267-L339 HydrophobicContact CG2-CB 3.93Å; V267-L339 HydrophobicContact CG2-CD1 3.61Å; V267-L339 HydrophobicContact CG2-CD2 3.78Å; V267-L339 HydrophobicContact CG2-CG 3.95Å | ||
| 268 | T | 65.1 | Low | 80.4 | Confident | 46 Ų | 46 | 55.4 Ų | 55.4 | 28% | 0.282 | 32% | 0.318 | S | S | . | . | trans | -136.9 | 138.1 | 171 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | A271 R302 | T268-A271 VanDerWaalsContact OG1-CA 3.27Å; T268-A271 WeakPolarHBondContact OG1-CA 3.34Å; T268-A271 PolarHBondContact OG1-N 2.82Å; T268-R302 PolarHBondContact O-NE 2.76Å; T268-R302 PolarHBondContact O-NH2 3.22Å | ||
| 269 | A | 55.2 | Low | 80.6 | Confident | 104 Ų | 104 | 56.1 Ų | 56.1 | 86% | 0.86 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -69.3 | -30.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | R302 | A269-R302 PolarHBondContact O-NH2 2.82Š|
| 270 | D | 52.4 | Low | 80.6 | Confident | 105 Ų | 105 | 54.5 Ų | 54.5 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | trans | -119 | 79.4 | -177.2 | -147.8 | -11.7 | 0 | 0 | 0 | 110.6 | D272 | D270-D272 PolarHBondContact O-N 3.42Š| ||
| 271 | A | 53.5 | Low | 80.4 | Confident | 24 Ų | 24 | 54.4 Ų | 54.4 | 20% | 0.198 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -13.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T268 A273 A275 R302 | T268-A271 VanDerWaalsContact OG1-CA 3.27Å; T268-A271 WeakPolarHBondContact OG1-CA 3.34Å; T268-A271 PolarHBondContact OG1-N 2.82Å; A271-A273 VanDerWaalsContact C-N 3.3Å; A271-A273 PolarHBondContact O-N 2.8Å; A271-A275 PolarHBondContact O-N 3.43Å; A271-R302 VanDerWaalsContact CB-CZ 3.48Å |
| 272 | D | 63.1 | Low | 80.4 | Confident | 121 Ų | 121 | 51.4 Ų | 51.4 | 65% | 0.647 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -25.8 | -174.7 | -64 | -18.9 | 0 | 0 | 0 | 111.5 | D270 D274 A275 | D270-D272 PolarHBondContact O-N 3.42Å; D272-D274 VanDerWaalsContact C-N 3.28Å; D272-D274 PolarHBondContact O-N 2.99Å; D272-A275 PolarHBondContact O-N 2.95Å |
| 273 | A | 62.6 | Low | 80.4 | Confident | 68 Ų | 68 | 56.9 Ų | 56.9 | 56% | 0.562 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | A271 | A271-A273 VanDerWaalsContact C-N 3.3Å; A271-A273 PolarHBondContact O-N 2.8Å |
| 274 | D | 74.5 | Confident | 80.4 | Confident | 76 Ų | 76 | 58.1 Ų | 58.1 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -3.5 | -174.7 | -95 | 25.8 | 0 | 0 | 0 | 113.9 | D272 H276 R277 M278 | D272-D274 VanDerWaalsContact C-N 3.28Å; D272-D274 PolarHBondContact O-N 2.99Å; D274-H276 PolarHBondContact O-N 3.4Å; D274-R277 PolarHBondContact O-N 2.88Å; D274-R277 VanDerWaalsContact O-N 3.07Å; D274-R277 IonicContact OD2-CZ 3.48Å; D274-R277 IonicContact OD2-NE 3.69Å; D274-R277 PolarHBondContact OD2-NE 2.95Å; D274-R277 IonicContact OD2-NH2 3.06Å; D274-R277 PolarHBondContact OD2-NH2 3.18Å; D274-M278 PolarHBondContact O-N 3.39Å |
| 275 | A | 82.2 | Confident | 80.5 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 30% | 0.298 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.4 | -37.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A271 D272 A279 | A271-A275 PolarHBondContact O-N 3.43Å; D272-A275 PolarHBondContact O-N 2.95Å; A275-A279 VanDerWaalsContact O-CB 3.27Å; A275-A279 WeakPolarHBondContact O-CB 3.48Å; A275-A279 PolarHBondContact O-N 2.94Å |
| 276 | H | 85.5 | Confident | 80.8 | Confident | 158 Ų | 158 | 59.7 Ų | 59.7 | 73% | 0.731 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.8 | -43.5 | 177.6 | -67.1 | 90.2 | 0 | 0 | 0 | 112.3 | D274 A279 A280 | D274-H276 PolarHBondContact O-N 3.4Å; H276-A279 PolarHBondContact O-N 3.48Å; H276-A280 WeakPolarHBondContact O-CB 3.27Å; H276-A280 PolarHBondContact O-N 2.86Å |
| 277 | R | 86.4 | Confident | 81.3 | Confident | 67 Ų | 67 | 62.1 Ų | 62.1 | 25% | 0.253 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -50.6 | 176.2 | -178 | -170.9 | 60.3 | 70.1 | 2.4 | 110.3 | G238 E239 E264 D274 A279 A280 T281 | G238-R277 PolarHBondContact O-NH1 3.03Å; E239-R277 WeakPolarHBondContact OE1-CG 3.4Å; E264-R277 IonicContact OE1-CZ 3.93Å; E264-R277 IonicContact OE1-NH1 2.79Å; E264-R277 PolarHBondContact OE1-NH1 3.01Å; E264-R277 IonicContact OE1-NH2 3.91Å; E264-R277 PolarHBondContact OE1-NH2 3.22Å; D274-R277 PolarHBondContact O-N 2.88Å; D274-R277 VanDerWaalsContact O-N 3.07Å; D274-R277 IonicContact OD2-CZ 3.48Å; D274-R277 IonicContact OD2-NE 3.69Å; D274-R277 PolarHBondContact OD2-NE 2.95Å; D274-R277 IonicContact OD2-NH2 3.06Å; D274-R277 PolarHBondContact OD2-NH2 3.18Å; R277-A279 VanDerWaalsContact C-N 3.34Å; R277-A279 PolarHBondContact O-N 2.86Å; R277-A280 PolarHBondContact O-N 3.22Å; R277-T281 PolarHBondContact O-N 2.94Å; R277-T281 PolarHBondContact O-OG1 2.8Å |
| 278 | M | 89.4 | Confident | 82.1 | Confident | 46 Ų | 46 | 58.8 Ų | 58.8 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 179.1 | 179 | 171.1 | 65 | 0 | 0 | 111.7 | E264 D274 T281 A282 Y298 | E264-M278 WeakPolarHBondContact OE2-CG 3.33Å; D274-M278 PolarHBondContact O-N 3.39Å; M278-T281 PolarHBondContact O-N 3.31Å; M278-A282 VanDerWaalsContact O-CB 3.27Å; M278-A282 WeakPolarHBondContact O-CB 3.43Å; M278-A282 PolarHBondContact O-N 3.45Å; M278-Y298 HydrophobicContact CG-CE1 3.93Å |
| 279 | A | 92 | Very high | 83.6 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 50% | 0.496 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A275 H276 R277 R283 | A275-A279 VanDerWaalsContact O-CB 3.27Å; A275-A279 WeakPolarHBondContact O-CB 3.48Å; A275-A279 PolarHBondContact O-N 2.94Å; H276-A279 PolarHBondContact O-N 3.48Å; R277-A279 VanDerWaalsContact C-N 3.34Å; R277-A279 PolarHBondContact O-N 2.86Å; A279-R283 WeakPolarHBondContact O-CB 3.45Å; A279-R283 PolarHBondContact O-N 3.47Å |
| 280 | A | 91.6 | Very high | 85.5 | Confident | 27 Ų | 27 | 57.4 Ų | 57.4 | 22% | 0.223 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H276 R277 R283 R284 | H276-A280 WeakPolarHBondContact O-CB 3.27Å; H276-A280 PolarHBondContact O-N 2.86Å; R277-A280 PolarHBondContact O-N 3.22Å; A280-R283 PolarHBondContact O-N 3.5Å; A280-R284 WeakPolarHBondContact O-CG 3.47Å; A280-R284 PolarHBondContact O-N 2.97Å; A280-R284 PolarHBondContact O-NE 2.94Å |
| 281 | T | 93 | Very high | 87.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 175.9 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | V237 G238 R277 M278 R283 R284 L285 Y298 | V237-T281 HydrophobicContact CG1-CG2 3.88Å; G238-T281 PolarHBondContact O-OG1 3.28Å; R277-T281 PolarHBondContact O-N 2.94Å; R277-T281 PolarHBondContact O-OG1 2.8Å; M278-T281 PolarHBondContact O-N 3.31Å; T281-R283 VanDerWaalsContact C-N 3.31Å; T281-R283 PolarHBondContact O-N 2.91Å; T281-R284 PolarHBondContact O-N 3.42Å; T281-R284 PolarHBondContact OG1-NH2 3.29Å; T281-L285 HydrophobicContact CG2-CD1 3.82Å; T281-L285 HydrophobicContact CG2-CG 4.24Å; T281-L285 WeakPolarHBondContact O-CB 3.35Å; T281-L285 WeakPolarHBondContact O-CG 3.42Å; T281-L285 PolarHBondContact O-N 2.82Å; T281-Y298 HydrophobicContact CG2-CE2 4.39Å |
| 282 | A | 96.4 | Very high | 89.4 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.5 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | M278 S286 Y298 | M278-A282 VanDerWaalsContact O-CB 3.27Å; M278-A282 WeakPolarHBondContact O-CB 3.43Å; M278-A282 PolarHBondContact O-N 3.45Å; A282-S286 WeakPolarHBondContact O-CB 3.23Å; A282-S286 PolarHBondContact O-N 2.99Å; A282-S286 PolarHBondContact O-OG 3.44Å; A282-Y298 HydrophobicContact CB-CD1 3.49Å; A282-Y298 VanDerWaalsContact CB-CD1 3.49Å; A282-Y298 HydrophobicContact CB-CD2 4.08Å; A282-Y298 HydrophobicContact CB-CE1 3.86Å; A282-Y298 HydrophobicContact CB-CE2 4.4Å; A282-Y298 HydrophobicContact CB-CG 3.6Å |
| 283 | R | 97.4 | Very high | 90.8 | Very high | 115 Ų | 115 | 53 Ų | 53 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62 | -53.1 | 175.5 | -177.8 | -175.4 | 63.6 | 166.5 | -0 | 111.5 | A279 A280 T281 L285 S286 E287 | A279-R283 WeakPolarHBondContact O-CB 3.45Å; A279-R283 PolarHBondContact O-N 3.47Å; A280-R283 PolarHBondContact O-N 3.5Å; T281-R283 VanDerWaalsContact C-N 3.31Å; T281-R283 PolarHBondContact O-N 2.91Å; R283-L285 VanDerWaalsContact C-N 3.34Å; R283-L285 PolarHBondContact O-N 3.18Å; R283-S286 PolarHBondContact O-N 3.39Å; R283-S286 VanDerWaalsContact O-N 3.12Å; R283-E287 WeakPolarHBondContact CD-OE1 3.39Å; R283-E287 HydrophobicContact CG-CG 4.4Å; R283-E287 VanDerWaalsContact CG-OE1 3.25Å; R283-E287 WeakPolarHBondContact CG-OE1 3.43Å; R283-E287 WeakPolarHBondContact O-CG 3.27Å; R283-E287 PolarHBondContact O-N 3.09Å |
| 284 | R | 95.5 | Very high | 92.3 | Very high | 31 Ų | 31 | 49.9 Ų | 49.9 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.7 | -45.2 | -178.5 | -74.8 | -179.7 | -63.2 | -133.2 | -1.3 | 112.3 | E239 A280 T281 S286 E287 F288 | E239-R284 IonicContact OE1-NH2 2.85Å; E239-R284 IonicContact OE2-CZ 3.21Å; E239-R284 VanDerWaalsContact OE2-CZ 3.25Å; E239-R284 IonicContact OE2-NH1 3.01Å; E239-R284 PolarHBondContact OE2-NH1 2.93Å; E239-R284 IonicContact OE2-NH2 3.56Å; E239-R284 PolarHBondContact OE2-NH2 3.36Å; A280-R284 WeakPolarHBondContact O-CG 3.47Å; A280-R284 PolarHBondContact O-N 2.97Å; A280-R284 PolarHBondContact O-NE 2.94Å; T281-R284 PolarHBondContact O-N 3.42Å; T281-R284 PolarHBondContact OG1-NH2 3.29Å; R284-S286 VanDerWaalsContact C-N 3.33Å; R284-S286 PolarHBondContact O-N 3.28Å; R284-E287 PolarHBondContact O-N 3.16Å; R284-F288 WeakPolarHBondContact O-CB 3.39Å; R284-F288 PolarHBondContact O-N 3.41Å |
| 285 | L | 97.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.9 | -34.8 | 178.4 | -71.5 | 179 | 0 | 0 | 0 | 112.4 | W243 A244 M247 L262 T281 R283 A289 F296 Y298 | W243-L285 HydrophobicContact CB-CD1 4.22Å; W243-L285 HydrophobicContact CB-CD2 4.18Å; A244-L285 HydrophobicContact CB-CD2 4.36Å; M247-L285 HydrophobicContact CE-CB 3.98Å; M247-L285 HydrophobicContact CE-CD2 4.22Å; M247-L285 HydrophobicContact SD-CD2 4.38Å; L262-L285 HydrophobicContact CD2-CD1 3.76Å; T281-L285 HydrophobicContact CG2-CD1 3.82Å; T281-L285 HydrophobicContact CG2-CG 4.24Å; T281-L285 WeakPolarHBondContact O-CB 3.35Å; T281-L285 WeakPolarHBondContact O-CG 3.42Å; T281-L285 PolarHBondContact O-N 2.82Å; R283-L285 VanDerWaalsContact C-N 3.34Å; R283-L285 PolarHBondContact O-N 3.18Å; L285-A289 WeakPolarHBondContact O-CB 3.34Å; L285-A289 PolarHBondContact O-N 2.76Å; L285-F296 HydrophobicContact CB-CE1 3.8Å; L285-F296 HydrophobicContact CB-CZ 3.98Å; L285-F296 HydrophobicContact CD1-CZ 4.48Å; L285-Y298 HydrophobicContact CD1-CD2 4.09Å; L285-Y298 HydrophobicContact CD1-CE2 3.91Å |
| 286 | S | 98 | Very high | 94 | Very high | 40 Ų | 40 | 49.3 Ų | 49.3 | 28% | 0.28 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.2 | -47.6 | 176.1 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | A282 R283 R284 F288 A289 D290 | A282-S286 WeakPolarHBondContact O-CB 3.23Å; A282-S286 PolarHBondContact O-N 2.99Å; A282-S286 PolarHBondContact O-OG 3.44Å; R283-S286 PolarHBondContact O-N 3.39Å; R283-S286 VanDerWaalsContact O-N 3.12Å; R284-S286 VanDerWaalsContact C-N 3.33Å; R284-S286 PolarHBondContact O-N 3.28Å; S286-F288 VanDerWaalsContact C-N 3.29Å; S286-F288 PolarHBondContact O-N 3.06Å; S286-A289 PolarHBondContact O-N 3.3Å; S286-D290 WeakPolarHBondContact O-CB 3.37Å; S286-D290 VanDerWaalsContact O-CG 3.31Å; S286-D290 PolarHBondContact O-N 3.48Å |
| 287 | E | 97.6 | Very high | 94.5 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.5 | -41 | 175.1 | -70.3 | 169.7 | -179.1 | 0 | 0 | 111.5 | F14 R283 R284 D290 S291 | F14-E287 HydrophobicContact CE1-CB 4.44Å; R283-E287 WeakPolarHBondContact CD-OE1 3.39Å; R283-E287 HydrophobicContact CG-CG 4.4Å; R283-E287 VanDerWaalsContact CG-OE1 3.25Å; R283-E287 WeakPolarHBondContact CG-OE1 3.43Å; R283-E287 WeakPolarHBondContact O-CG 3.27Å; R283-E287 PolarHBondContact O-N 3.09Å; R284-E287 PolarHBondContact O-N 3.16Å; E287-D290 PolarHBondContact O-N 3.26Å; E287-S291 PolarHBondContact O-N 3.01Å |
| 288 | F | 95.5 | Very high | 95 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -46 | 176.3 | -174 | -110.6 | 0 | 0 | 0 | 112.1 | F14 L26 A244 M247 R284 S286 D290 S291 L292 | F14-F288 AromaticContact CE2-CD2 3.74Å; F14-F288 HydrophobicContact CE2-CD2 3.74Å; F14-F288 HydrophobicContact CE2-CE2 4.47Å; F14-F288 HydrophobicContact CZ-CD2 4.23Å; L26-F288 HydrophobicContact CD1-CB 4.18Å; L26-F288 HydrophobicContact CD1-CD1 4.43Å; L26-F288 HydrophobicContact CD1-CD2 3.96Å; L26-F288 HydrophobicContact CD1-CE2 4.48Å; L26-F288 HydrophobicContact CD1-CG 3.92Å; A244-F288 HydrophobicContact CB-CD1 3.93Å; A244-F288 HydrophobicContact CB-CE1 3.84Å; A244-F288 VanDerWaalsContact O-CE1 3.28Å; A244-F288 WeakPolarHBondContact O-CE1 3.46Å; M247-F288 HydrophobicContact CB-CD1 4.32Å; M247-F288 HydrophobicContact CB-CE1 4.13Å; M247-F288 HydrophobicContact SD-CD1 3.78Å; M247-F288 HydrophobicContact SD-CE1 4.47Å; R284-F288 WeakPolarHBondContact O-CB 3.39Å; R284-F288 PolarHBondContact O-N 3.41Å; S286-F288 VanDerWaalsContact C-N 3.29Å; S286-F288 PolarHBondContact O-N 3.06Å; F288-D290 VanDerWaalsContact C-N 3.33Å; F288-D290 PolarHBondContact O-N 2.78Å; F288-S291 WeakPolarHBondContact O-CB 3.39Å; F288-S291 PolarHBondContact O-N 3.16Å; F288-S291 PolarHBondContact O-OG 3.43Å; F288-L292 HydrophobicContact CD1-CD1 4.08Å; F288-L292 HydrophobicContact CE1-CD1 3.56Å; F288-L292 HydrophobicContact CE1-CG 4.42Å; F288-L292 HydrophobicContact CZ-CD1 3.91Å; F288-L292 HydrophobicContact CZ-CG 4.44Å; F288-L292 PolarHBondContact O-N 3.46Å |
| 289 | A | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M247 L285 S286 S291 L292 G293 L294 F296 | M247-A289 HydrophobicContact CE-CB 4.14Å; M247-A289 HydrophobicContact SD-CB 4.03Å; L285-A289 WeakPolarHBondContact O-CB 3.34Å; L285-A289 PolarHBondContact O-N 2.76Å; S286-A289 PolarHBondContact O-N 3.3Å; A289-S291 VanDerWaalsContact C-N 3.31Å; A289-S291 PolarHBondContact O-N 3.18Å; A289-L292 CarbonylContact O-C 3.6Å; A289-L292 PolarHBondContact O-N 3.49Å; A289-L292 VanDerWaalsContact O-N 3.1Å; A289-G293 PolarHBondContact O-N 3.34Å; A289-G293 VanDerWaalsContact O-N 3.07Å; A289-L294 HydrophobicContact CB-CB 4.39Å; A289-L294 PolarHBondContact O-N 3Å; A289-F296 HydrophobicContact CB-CB 3.32Å; A289-F296 HydrophobicContact CB-CD1 4Å; A289-F296 HydrophobicContact CB-CG 3.77Å |
| 290 | D | 95.9 | Very high | 95.2 | Very high | 121 Ų | 121 | 44.9 Ų | 44.9 | 65% | 0.647 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -60.9 | -40.5 | 174.7 | -75.1 | -20.4 | 0 | 0 | 0 | 111.3 | S286 E287 F288 L292 G293 | S286-D290 WeakPolarHBondContact O-CB 3.37Å; S286-D290 VanDerWaalsContact O-CG 3.31Å; S286-D290 PolarHBondContact O-N 3.48Å; E287-D290 PolarHBondContact O-N 3.26Å; F288-D290 VanDerWaalsContact C-N 3.33Å; F288-D290 PolarHBondContact O-N 2.78Å; D290-L292 PolarHBondContact O-N 3.43Å; D290-G293 PolarHBondContact O-N 3Å |
| 291 | S | 95.2 | Very high | 95.2 | Very high | 75 Ų | 75 | 44.1 Ų | 44.1 | 52% | 0.524 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.2 | -27.8 | 175.5 | 83.3 | 0 | 0 | 0 | 0 | 113.3 | E287 F288 A289 | E287-S291 PolarHBondContact O-N 3.01Å; F288-S291 WeakPolarHBondContact O-CB 3.39Å; F288-S291 PolarHBondContact O-N 3.16Å; F288-S291 PolarHBondContact O-OG 3.43Å; A289-S291 VanDerWaalsContact C-N 3.31Å; A289-S291 PolarHBondContact O-N 3.18Å |
| 292 | L | 93.2 | Very high | 95.1 | Very high | 48 Ų | 48 | 47.4 Ų | 47.4 | 25% | 0.251 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -6.5 | 174.6 | -61.2 | 176.1 | 0 | 0 | 0 | 112.8 | M247 A251 F288 A289 D290 L294 | M247-L292 HydrophobicContact CB-CD1 3.97Å; A251-L292 HydrophobicContact CB-CB 4.06Å; A251-L292 HydrophobicContact CB-CD1 4.25Å; F288-L292 HydrophobicContact CD1-CD1 4.08Å; F288-L292 HydrophobicContact CE1-CD1 3.56Å; F288-L292 HydrophobicContact CE1-CG 4.42Å; F288-L292 HydrophobicContact CZ-CD1 3.91Å; F288-L292 HydrophobicContact CZ-CG 4.44Å; F288-L292 PolarHBondContact O-N 3.46Å; A289-L292 CarbonylContact O-C 3.6Å; A289-L292 PolarHBondContact O-N 3.49Å; A289-L292 VanDerWaalsContact O-N 3.1Å; D290-L292 PolarHBondContact O-N 3.43Å; L292-L294 HydrophobicContact CB-CB 4.25Å; L292-L294 PolarHBondContact O-N 2.97Å |
| 293 | G | 92.4 | Very high | 94.8 | Very high | 35 Ų | 35 | 47.3 Ų | 47.3 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 25.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R257 A289 D290 | R257-G293 WeakPolarHBondContact CD-O 3.39Å; A289-G293 PolarHBondContact O-N 3.34Å; A289-G293 VanDerWaalsContact O-N 3.07Å; D290-G293 PolarHBondContact O-N 3Å |
| 294 | L | 93.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | trans | -88 | 120.9 | -178.6 | 179.5 | 70.8 | 0 | 0 | 0 | 109.6 | M247 L250 K258 F260 A289 L292 F296 | M247-L294 HydrophobicContact CB-CD2 3.74Å; M247-L294 HydrophobicContact CG-CD2 3.7Å; L250-L294 HydrophobicContact CB-CD1 4.34Å; K258-L294 WeakPolarHBondContact O-CD1 3.31Å; F260-L294 HydrophobicContact CB-CD2 4.19Å; A289-L294 HydrophobicContact CB-CB 4.39Å; A289-L294 PolarHBondContact O-N 3Å; L292-L294 HydrophobicContact CB-CB 4.25Å; L292-L294 PolarHBondContact O-N 2.97Å; L294-F296 PolarHBondContact O-N 3.27Å | ||
| 295 | P | 95.1 | Very high | 94 | Very high | 63 Ų | 63 | 50.9 Ų | 50.9 | 41% | 0.409 | 28% | 0.279 | S | S | . | . | trans | -62.4 | 113.5 | 174.2 | -19.3 | 31.4 | 0 | 0 | 0 | 110.1 | P259 F260 | P259-P295 CarbonylContact C-O 3.52Å; P259-P295 WeakPolarHBondContact CA-O 3.31Å; P259-P295 HydrophobicContact CB-CB 4.25Å; P259-P295 HydrophobicContact CG-CB 4.45Å; F260-P295 PolarHBondContact N-O 2.79Å | ||
| 296 | F | 96.1 | Very high | 93.7 | Very high | 38 Ų | 38 | 53.8 Ų | 53.8 | 17% | 0.167 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144.6 | -173.7 | 176.3 | -112.1 | 0 | 0 | 0 | 112.7 | M247 F260 L262 L285 A289 L294 Y298 | M247-F296 HydrophobicContact CE-CD1 3.91Å; M247-F296 HydrophobicContact CE-CD2 3.35Å; M247-F296 HydrophobicContact CE-CE1 3.74Å; M247-F296 HydrophobicContact CE-CE2 3.17Å; M247-F296 HydrophobicContact CE-CG 3.7Å; M247-F296 HydrophobicContact CE-CZ 3.36Å; F260-F296 HydrophobicContact CB-CD2 4.24Å; F260-F296 AromaticContact CD1-CD2 3.48Å; F260-F296 HydrophobicContact CD1-CD2 3.48Å; F260-F296 VanDerWaalsContact CD1-CD2 3.48Å; F260-F296 AromaticContact CD1-CE2 3.58Å; F260-F296 HydrophobicContact CD1-CE2 3.58Å; F260-F296 HydrophobicContact CE1-CD2 4.08Å; F260-F296 AromaticContact CE1-CE2 3.68Å; F260-F296 HydrophobicContact CE1-CE2 3.68Å; F260-F296 HydrophobicContact CG-CD2 4.09Å; F260-F296 HydrophobicContact CG-CE2 4.38Å; F260-F296 CarbonylContact O-C 3.53Å; F260-F296 VanDerWaalsContact O-CA 3.26Å; F260-F296 WeakPolarHBondContact O-CA 3.45Å; F260-F296 VanDerWaalsContact O-CD2 3.26Å; F260-F296 WeakPolarHBondContact O-CD2 3.5Å; L262-F296 HydrophobicContact CB-CE2 3.81Å; L262-F296 HydrophobicContact CB-CZ 4.09Å; L285-F296 HydrophobicContact CB-CE1 3.8Å; L285-F296 HydrophobicContact CB-CZ 3.98Å; L285-F296 HydrophobicContact CD1-CZ 4.48Å; A289-F296 HydrophobicContact CB-CB 3.32Å; A289-F296 HydrophobicContact CB-CD1 4Å; A289-F296 HydrophobicContact CB-CG 3.77Å; L294-F296 PolarHBondContact O-N 3.27Å; F296-Y298 HydrophobicContact CE1-CD2 4.41Å; F296-Y298 AromaticContact CZ-CD2 3.98Å; F296-Y298 HydrophobicContact CZ-CD2 3.98Å |
| 297 | Q | 96.4 | Very high | 93.4 | Very high | 104 Ų | 104 | 58.3 Ų | 58.3 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 123.9 | 171 | -175.1 | 178.1 | 17.3 | 0 | 0 | 110.4 | F260 R261 L262 | F260-Q297 PolarHBondContact O-N 3.08Å; R261-Q297 WeakPolarHBondContact CA-O 3.46Å; R261-Q297 HydrophobicContact CG-CB 4.28Å; L262-Q297 PolarHBondContact N-O 3.06Å |
| 298 | Y | 97.2 | Very high | 93.2 | Very high | 36 Ų | 36 | 56.7 Ų | 56.7 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 137.8 | 167.1 | -162.4 | -84.3 | 0 | 0 | 0 | 110.3 | V237 L262 E264 M278 T281 A282 L285 F296 | V237-Y298 HydrophobicContact CG1-CE2 4.37Å; L262-Y298 HydrophobicContact CD2-CD2 4Å; L262-Y298 HydrophobicContact CD2-CE2 3.74Å; L262-Y298 HydrophobicContact CG-CD2 4.45Å; L262-Y298 HydrophobicContact CG-CE2 4.33Å; L262-Y298 CarbonylContact O-C 3.53Å; E264-Y298 HydrophobicContact CB-CE1 4.43Å; E264-Y298 PolarHBondContact OE2-OH 3.48Å; M278-Y298 HydrophobicContact CG-CE1 3.93Å; T281-Y298 HydrophobicContact CG2-CE2 4.39Å; A282-Y298 HydrophobicContact CB-CD1 3.49Å; A282-Y298 VanDerWaalsContact CB-CD1 3.49Å; A282-Y298 HydrophobicContact CB-CD2 4.08Å; A282-Y298 HydrophobicContact CB-CE1 3.86Å; A282-Y298 HydrophobicContact CB-CE2 4.4Å; A282-Y298 HydrophobicContact CB-CG 3.6Å; L285-Y298 HydrophobicContact CD1-CD2 4.09Å; L285-Y298 HydrophobicContact CD1-CE2 3.91Å; F296-Y298 HydrophobicContact CE1-CD2 4.41Å; F296-Y298 AromaticContact CZ-CD2 3.98Å; F296-Y298 HydrophobicContact CZ-CD2 3.98Å |
| 299 | G | 93.9 | Very high | 93 | Very high | 23 Ų | 23 | 56.5 Ų | 56.5 | 24% | 0.237 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 167.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L262 T263 E264 | L262-G299 PolarHBondContact O-N 3.48Å; T263-G299 CarbonylContact C-O 3.59Å; T263-G299 VanDerWaalsContact CA-O 3.31Å; T263-G299 WeakPolarHBondContact CA-O 3.29Å; E264-G299 PolarHBondContact N-O 3.1Å |
| 300 | S | 92.5 | Very high | 92.9 | Very high | 74 Ų | 74 | 61.3 Ų | 61.3 | 52% | 0.517 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.5 | 175.8 | 62.2 | 0 | 0 | 0 | 0 | 110 | E264 | E264-S300 CarbonylContact O-C 3.52Å; E264-S300 WeakPolarHBondContact O-CA 3.28Å |
| 301 | L | 91.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 57.7 Ų | 57.7 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 105.4 | 174.1 | 176 | 57.8 | 0 | 0 | 0 | 109 | T263 E264 A265 V266 V303 L309 F312 | T263-L301 HydrophobicContact CG2-CB 3.61Å; E264-L301 PolarHBondContact O-N 3.38Å; A265-L301 WeakPolarHBondContact CA-O 3.02Å; V266-L301 PolarHBondContact N-O 3.36Å; L301-V303 HydrophobicContact CD1-CG2 4.47Å; L301-V303 HydrophobicContact CD2-CG2 4.22Å; L301-V303 HydrophobicContact CG-CG2 3.81Å; L301-L309 HydrophobicContact CD2-CD2 3.96Å; L301-F312 HydrophobicContact CD1-CB 3.74Å; L301-F312 HydrophobicContact CD1-CD2 3.99Å; L301-F312 HydrophobicContact CD1-CG 3.97Å; L301-F312 HydrophobicContact CD2-CB 4.18Å; L301-F312 HydrophobicContact CD2-CD1 3.9Å; L301-F312 HydrophobicContact CD2-CD2 4.05Å; L301-F312 HydrophobicContact CD2-CE1 4.25Å; L301-F312 HydrophobicContact CD2-CE2 4.4Å; L301-F312 HydrophobicContact CD2-CG 3.77Å; L301-F312 HydrophobicContact CD2-CZ 4.47Å; L301-F312 HydrophobicContact CG-CD2 4.43Å; L301-F312 HydrophobicContact CG-CG 4.44Å |
| 302 | R | 89.8 | Confident | 92.5 | Very high | 68 Ų | 68 | 55.4 Ų | 55.4 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 116.5 | 174.8 | -172.8 | 164 | -177.6 | 176.8 | 1.9 | 109.3 | V266 T268 A269 A271 R304 D308 | V266-R302 HydrophobicContact CG2-CB 4.41Å; V266-R302 HydrophobicContact CG2-CG 4.45Å; T268-R302 PolarHBondContact O-NE 2.76Å; T268-R302 PolarHBondContact O-NH2 3.22Å; A269-R302 PolarHBondContact O-NH2 2.82Å; A271-R302 VanDerWaalsContact CB-CZ 3.48Å; R302-R304 HydrophobicContact CG-CG 4.26Å; R302-D308 WeakPolarHBondContact O-CB 3.44Å |
| 303 | V | 89.7 | Confident | 92.3 | Very high | 18 Ų | 18 | 55.1 Ų | 55.1 | 11% | 0.109 | 30% | 0.304 | C | S | . | . | trans | -105.1 | 104.9 | -176.3 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | V266 L301 L309 L339 | V266-V303 PolarHBondContact O-N 3.03Å; L301-V303 HydrophobicContact CD1-CG2 4.47Å; L301-V303 HydrophobicContact CD2-CG2 4.22Å; L301-V303 HydrophobicContact CG-CG2 3.81Å; V303-L309 HydrophobicContact CG1-CD1 4.02Å; V303-L309 HydrophobicContact CG1-CD2 4.1Å; V303-L309 HydrophobicContact CG1-CG 3.9Å; V303-L309 HydrophobicContact CG2-CD2 3.67Å; V303-L309 HydrophobicContact CG2-CG 4.34Å; V303-L339 HydrophobicContact CB-CD1 3.73Å; V303-L339 HydrophobicContact CG1-CD1 3.85Å; V303-L339 HydrophobicContact CG2-CD1 3.79Å | ||
| 304 | R | 88.2 | Confident | 92.1 | Very high | 176 Ų | 176 | 58.4 Ų | 58.4 | 66% | 0.664 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -107.4 | -30.5 | 174 | -53.6 | 172.8 | -173.2 | 145.9 | -3.6 | 110.9 | R302 D308 | R302-R304 HydrophobicContact CG-CG 4.26Å; R304-D308 WeakPolarHBondContact CA-OD2 3.25Å; R304-D308 WeakPolarHBondContact CB-OD2 3.47Å; R304-D308 PolarHBondContact N-OD2 3.22Å |
| 305 | S | 89.2 | Confident | 91.6 | Very high | 46 Ų | 46 | 62.5 Ų | 62.5 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -150.8 | 173.5 | 178.6 | 69.7 | 0 | 0 | 0 | 0 | 112 | E307 D308 | S305-E307 WeakPolarHBondContact CB-OE2 3.42Å; S305-E307 PolarHBondContact O-N 2.8Å; S305-E307 PolarHBondContact OG-OE2 2.77Å; S305-D308 PolarHBondContact N-OD2 2.96Å; S305-D308 VanDerWaalsContact N-OD2 3.12Å; S305-D308 PolarHBondContact O-N 3.49Å |
| 306 | D | 90.9 | Very high | 90.7 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 33% | 0.332 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.7 | -29.3 | 176.2 | -79.9 | 8.1 | 0 | 0 | 0 | 111.8 | D308 L309 H310 R345 I346 | D306-D308 VanDerWaalsContact C-N 3.32Å; D306-D308 PolarHBondContact O-N 2.73Å; D306-L309 WeakPolarHBondContact O-CB 3.48Å; D306-L309 PolarHBondContact O-N 3.02Å; D306-H310 PolarHBondContact O-N 2.95Å; D306-H310 PolarHBondContact O-ND1 3.46Å; D306-R345 IonicContact OD1-CZ 3.6Å; D306-R345 IonicContact OD1-NH2 3.35Å; D306-R345 PolarHBondContact OD1-NH2 3.14Å; D306-R345 IonicContact OD2-CZ 2.7Å; D306-R345 VanDerWaalsContact OD2-CZ 3.24Å; D306-R345 IonicContact OD2-NH1 3.6Å; D306-R345 PolarHBondContact OD2-NH1 3.05Å; D306-R345 IonicContact OD2-NH2 2.9Å; D306-R345 PolarHBondContact OD2-NH2 2.85Å; D306-I346 HydrophobicContact CB-CD1 3.61Å; D306-I346 WeakPolarHBondContact OD1-CD1 3.32Å |
| 307 | E | 92.3 | Very high | 88.8 | Confident | 134 Ų | 134 | 63.7 Ų | 63.7 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.8 | -35.6 | 178.3 | -65.3 | 77.7 | -169.3 | 0 | 0 | 112.7 | S305 L309 H310 G311 | S305-E307 WeakPolarHBondContact CB-OE2 3.42Å; S305-E307 PolarHBondContact O-N 2.8Å; S305-E307 PolarHBondContact OG-OE2 2.77Å; E307-L309 VanDerWaalsContact C-N 3.3Å; E307-L309 PolarHBondContact O-N 3.45Å; E307-H310 PolarHBondContact O-N 3.38Å; E307-G311 PolarHBondContact O-N 3.47Å |
| 308 | D | 92.4 | Very high | 87.4 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 176.2 | -63.3 | -44.8 | 0 | 0 | 0 | 110.7 | R302 R304 S305 D306 G311 F312 | R302-D308 WeakPolarHBondContact O-CB 3.44Å; R304-D308 WeakPolarHBondContact CA-OD2 3.25Å; R304-D308 WeakPolarHBondContact CB-OD2 3.47Å; R304-D308 PolarHBondContact N-OD2 3.22Å; S305-D308 PolarHBondContact N-OD2 2.96Å; S305-D308 VanDerWaalsContact N-OD2 3.12Å; S305-D308 PolarHBondContact O-N 3.49Å; D306-D308 VanDerWaalsContact C-N 3.32Å; D306-D308 PolarHBondContact O-N 2.73Å; D308-G311 PolarHBondContact O-N 2.83Å; D308-F312 WeakPolarHBondContact O-CB 3.49Å; D308-F312 PolarHBondContact O-N 3.31Å |
| 309 | L | 92.3 | Very high | 86.2 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 177.1 | -64.9 | 174.9 | 0 | 0 | 0 | 111.8 | L301 V303 D306 E307 F312 A313 I343 I346 L347 | L301-L309 HydrophobicContact CD2-CD2 3.96Å; V303-L309 HydrophobicContact CG1-CD1 4.02Å; V303-L309 HydrophobicContact CG1-CD2 4.1Å; V303-L309 HydrophobicContact CG1-CG 3.9Å; V303-L309 HydrophobicContact CG2-CD2 3.67Å; V303-L309 HydrophobicContact CG2-CG 4.34Å; D306-L309 WeakPolarHBondContact O-CB 3.48Å; D306-L309 PolarHBondContact O-N 3.02Å; E307-L309 VanDerWaalsContact C-N 3.3Å; E307-L309 PolarHBondContact O-N 3.45Å; L309-F312 PolarHBondContact O-N 2.89Å; L309-A313 WeakPolarHBondContact O-CB 3.49Å; L309-A313 PolarHBondContact O-N 2.85Å; L309-I343 HydrophobicContact CD1-CG1 4.39Å; L309-I343 HydrophobicContact CD2-CG1 3.74Å; L309-I346 HydrophobicContact CB-CB 4.09Å; L309-I346 HydrophobicContact CB-CD1 3.91Å; L309-I346 HydrophobicContact CB-CG2 3.69Å; L309-I346 HydrophobicContact CD1-CB 4.42Å; L309-I346 HydrophobicContact CD1-CD1 3.68Å; L309-I346 HydrophobicContact CG-CD1 4.42Å; L309-L347 HydrophobicContact CB-CD2 4.44Å; L309-L347 WeakPolarHBondContact O-CD2 3.41Å |
| 310 | H | 92.3 | Very high | 85.9 | Confident | 102 Ų | 102 | 66.1 Ų | 66.1 | 47% | 0.472 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 174.5 | -73.9 | 85 | 0 | 0 | 0 | 112.1 | D306 E307 F312 A313 T314 | D306-H310 PolarHBondContact O-N 2.95Å; D306-H310 PolarHBondContact O-ND1 3.46Å; E307-H310 PolarHBondContact O-N 3.38Å; H310-F312 VanDerWaalsContact C-N 3.33Å; H310-A313 PolarHBondContact O-N 3.45Å; H310-T314 WeakPolarHBondContact O-CB 3.42Å; H310-T314 PolarHBondContact O-N 3.32Å; H310-T314 PolarHBondContact O-OG1 3.46Å |
| 311 | G | 91.8 | Very high | 86 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 46% | 0.464 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E307 D308 T314 S315 | E307-G311 PolarHBondContact O-N 3.47Å; D308-G311 PolarHBondContact O-N 2.83Å; G311-T314 PolarHBondContact O-N 3Å; G311-S315 PolarHBondContact O-N 3.22Å; G311-S315 VanDerWaalsContact O-N 3.11Å |
| 312 | F | 91.9 | Very high | 86.2 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 12% | 0.118 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 174.2 | -178.6 | -98.7 | 0 | 0 | 0 | 113 | H231 V233 T263 L301 D308 L309 H310 T314 S315 C316 L347 | H231-F312 AromaticContact CE1-CZ 3.48Å; H231-F312 VanDerWaalsContact CE1-CZ 3.48Å; H231-F312 WeakPolarHBondContact CE1-CZ 3.42Å; H231-F312 AromaticContact NE2-CZ 3.69Å; V233-F312 HydrophobicContact CG2-CE1 3.68Å; V233-F312 HydrophobicContact CG2-CZ 3.68Å; T263-F312 HydrophobicContact CG2-CE2 3.81Å; T263-F312 HydrophobicContact CG2-CZ 4.03Å; L301-F312 HydrophobicContact CD1-CB 3.74Å; L301-F312 HydrophobicContact CD1-CD2 3.99Å; L301-F312 HydrophobicContact CD1-CG 3.97Å; L301-F312 HydrophobicContact CD2-CB 4.18Å; L301-F312 HydrophobicContact CD2-CD1 3.9Å; L301-F312 HydrophobicContact CD2-CD2 4.05Å; L301-F312 HydrophobicContact CD2-CE1 4.25Å; L301-F312 HydrophobicContact CD2-CE2 4.4Å; L301-F312 HydrophobicContact CD2-CG 3.77Å; L301-F312 HydrophobicContact CD2-CZ 4.47Å; L301-F312 HydrophobicContact CG-CD2 4.43Å; L301-F312 HydrophobicContact CG-CG 4.44Å; D308-F312 WeakPolarHBondContact O-CB 3.49Å; D308-F312 PolarHBondContact O-N 3.31Å; L309-F312 PolarHBondContact O-N 2.89Å; H310-F312 VanDerWaalsContact C-N 3.33Å; F312-T314 PolarHBondContact O-N 3.45Å; F312-S315 PolarHBondContact O-N 3.23Å; F312-S315 VanDerWaalsContact O-N 3.15Å; F312-S315 PolarHBondContact O-OG 3.09Å; F312-C316 VanDerWaalsContact CZ-SG 3.57Å; F312-C316 PolarHBondContact O-N 3.43Å; F312-C316 VanDerWaalsContact O-N 3.13Å; F312-C316 PolarHBondContact O-SG 2.62Å; F312-L347 HydrophobicContact CD1-CD1 3.82Å; F312-L347 HydrophobicContact CD1-CD2 3.87Å; F312-L347 HydrophobicContact CE1-CD1 3.86Å |
| 313 | A | 88.6 | Confident | 86.6 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 35% | 0.347 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59 | -38.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L309 H310 C316 L347 | L309-A313 WeakPolarHBondContact O-CB 3.49Å; L309-A313 PolarHBondContact O-N 2.85Å; H310-A313 PolarHBondContact O-N 3.45Å; A313-C316 PolarHBondContact O-N 2.91Å; A313-L347 HydrophobicContact CB-CD2 3.88Å |
| 314 | T | 87.5 | Confident | 86.9 | Confident | 103 Ų | 103 | 58.7 Ų | 58.7 | 63% | 0.632 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -70.1 | -32.2 | 178 | -53.3 | 0 | 0 | 0 | 0 | 112.5 | H310 G311 F312 C316 C317 | H310-T314 WeakPolarHBondContact O-CB 3.42Å; H310-T314 PolarHBondContact O-N 3.32Å; H310-T314 PolarHBondContact O-OG1 3.46Å; G311-T314 PolarHBondContact O-N 3Å; F312-T314 PolarHBondContact O-N 3.45Å; T314-C316 VanDerWaalsContact C-N 3.34Å; T314-C317 PolarHBondContact O-SG 2.83Å |
| 315 | S | 84.6 | Confident | 87.2 | Confident | 88 Ų | 88 | 50.3 Ų | 50.3 | 62% | 0.615 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -76.4 | -23.5 | 176.2 | 72.7 | 0 | 0 | 0 | 0 | 112.8 | G311 F312 C317 | G311-S315 PolarHBondContact O-N 3.22Å; G311-S315 VanDerWaalsContact O-N 3.11Å; F312-S315 PolarHBondContact O-N 3.23Å; F312-S315 VanDerWaalsContact O-N 3.15Å; F312-S315 PolarHBondContact O-OG 3.09Å; S315-C317 VanDerWaalsContact C-N 3.25Å; S315-C317 PolarHBondContact O-N 3.41Å |
| 316 | C | 76.2 | Confident | 87.4 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 13.9 | -176.9 | -69.9 | 0 | 0 | 0 | 0 | 115.4 | F312 A313 T314 S318 C319 | F312-C316 VanDerWaalsContact CZ-SG 3.57Å; F312-C316 PolarHBondContact O-N 3.43Å; F312-C316 VanDerWaalsContact O-N 3.13Å; F312-C316 PolarHBondContact O-SG 2.62Å; A313-C316 PolarHBondContact O-N 2.91Å; T314-C316 VanDerWaalsContact C-N 3.34Å; C316-S318 PolarHBondContact O-N 3.21Å; C316-C319 PolarHBondContact O-N 3.16Å |
| 317 | C | 56.1 | Low | 87.2 | Confident | 107 Ų | 107 | 46 Ų | 46 | 72% | 0.723 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -27.4 | -5.6 | -171.2 | -87 | 0 | 0 | 0 | 0 | 122.1 | T314 S315 | T314-C317 PolarHBondContact O-SG 2.83Å; S315-C317 VanDerWaalsContact C-N 3.25Å; S315-C317 PolarHBondContact O-N 3.41Å |
| 318 | S | 65.7 | Low | 86.9 | Confident | 120 Ų | 120 | 42 Ų | 42 | 84% | 0.839 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.8 | -3.1 | 176.3 | -30.6 | 0 | 0 | 0 | 0 | 115.3 | C316 | C316-S318 PolarHBondContact O-N 3.21Š|
| 319 | C | 72.3 | Confident | 86.3 | Confident | 43 Ų | 43 | 41 Ų | 41 | 29% | 0.291 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -101.2 | 127 | -176.3 | -63.8 | 0 | 0 | 0 | 0 | 109.7 | H231 C316 | H231-C319 HydrophobicContact CB-CB 4.36Å; C316-C319 PolarHBondContact O-N 3.16Å |
| 320 | S | 87.6 | Confident | 85.3 | Confident | 51 Ų | 51 | 41.1 Ų | 41.1 | 36% | 0.357 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 134.1 | 170.7 | -156.2 | 0 | 0 | 0 | 0 | 110 | K350 | S320-K350 WeakPolarHBondContact OG-CB 3.3Å; S320-K350 WeakPolarHBondContact OG-CD 3.2Å; S320-K350 WeakPolarHBondContact OG-CG 3.34Å |
| 321 | V | 94.3 | Very high | 84.2 | Confident | 14 Ų | 14 | 38.2 Ų | 38.2 | 9% | 0.085 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 133.5 | -174.9 | 176.4 | 0 | 0 | 0 | 0 | 110 | V233 V323 P349 K350 | V233-V321 HydrophobicContact CB-CG1 4.15Å; V233-V321 HydrophobicContact CG2-CG1 3.59Å; V321-V323 HydrophobicContact CG1-CG2 4.32Å; V321-P349 WeakPolarHBondContact O-CA 3.22Å; V321-P349 VanDerWaalsContact O-CB 3.25Å; V321-P349 WeakPolarHBondContact O-CB 3.45Å; V321-K350 PolarHBondContact O-N 3.38Å |
| 322 | V | 96.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 137.6 | 165.4 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | I220 T224 H231 V232 V233 K350 L351 | I220-V322 HydrophobicContact CG1-CG1 3.99Å; T224-V322 HydrophobicContact CG2-CG2 3.58Å; H231-V322 PolarHBondContact O-N 3.05Å; V232-V322 CarbonylContact C-O 3.53Å; V232-V322 WeakPolarHBondContact CA-O 3.47Å; V232-V322 HydrophobicContact CG2-CB 4.36Å; V233-V322 PolarHBondContact N-O 3.23Å; V322-K350 HydrophobicContact CG2-CG 4.34Å; V322-L351 WeakPolarHBondContact CA-O 3.45Å; V322-L351 HydrophobicContact CG1-CB 4.03Å; V322-L351 HydrophobicContact CG1-CD2 3.95Å; V322-L351 HydrophobicContact CG1-CG 4.32Å; V322-L351 HydrophobicContact CG2-CB 4.1Å; V322-L351 HydrophobicContact CG2-CD2 4.45Å |
| 323 | V | 97 | Very high | 82.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.6 | 175.1 | 173.9 | 0 | 0 | 0 | 0 | 109.4 | V233 L235 V321 L340 I343 P349 L351 V352 V353 | V233-V323 HydrophobicContact CB-CG2 4.35Å; V233-V323 VanDerWaalsContact O-CA 3.31Å; V233-V323 WeakPolarHBondContact O-CA 3.45Å; L235-V323 HydrophobicContact CD1-CG1 3.84Å; V321-V323 HydrophobicContact CG1-CG2 4.32Å; V323-L340 HydrophobicContact CG1-CD1 3.55Å; V323-I343 HydrophobicContact CB-CG2 4.46Å; V323-I343 HydrophobicContact CG1-CG2 4.11Å; V323-I343 HydrophobicContact CG2-CG2 3.52Å; V323-P349 HydrophobicContact CB-CB 4.35Å; V323-P349 HydrophobicContact CB-CG 4.26Å; V323-P349 HydrophobicContact CG2-CB 3.67Å; V323-P349 HydrophobicContact CG2-CG 3.72Å; V323-L351 PolarHBondContact N-O 3.01Å; V323-V352 HydrophobicContact CB-CG1 4.35Å; V323-V352 HydrophobicContact CB-CG2 4.33Å; V323-V352 HydrophobicContact CG1-CG1 4.31Å; V323-V352 CarbonylContact O-C 3.6Å; V323-V352 WeakPolarHBondContact O-CA 3.44Å; V323-V353 PolarHBondContact O-N 3.4Å |
| 324 | S | 96.9 | Very high | 82.2 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.5 | 173.3 | 171.8 | 0 | 0 | 0 | 0 | 109 | V233 D234 L235 V353 | V233-S324 PolarHBondContact O-N 2.79Å; D234-S324 WeakPolarHBondContact CA-O 3.44Å; D234-S324 WeakPolarHBondContact OD2-CB 3.45Å; D234-S324 VanDerWaalsContact OD2-O 3.13Å; D234-S324 PolarHBondContact OD2-OG 3.35Å; L235-S324 WeakPolarHBondContact CD1-O 3.44Å; L235-S324 PolarHBondContact N-O 2.84Å; L235-S324 VanDerWaalsContact N-O 3.08Å; S324-V353 WeakPolarHBondContact CA-O 3.44Å |
| 325 | C | 94.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 105.9 | -179.5 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | L235 T327 L340 V353 T354 T355 | L235-C325 HydrophobicContact CB-CB 4.44Å; L235-C325 HydrophobicContact CD2-CB 4.22Å; C325-T327 WeakPolarHBondContact SG-CG2 3.31Å; C325-L340 HydrophobicContact CB-CD1 4.25Å; C325-L340 HydrophobicContact CB-CD2 3.8Å; C325-V353 PolarHBondContact N-O 3.12Å; C325-T354 HydrophobicContact CB-CG2 4.41Å; C325-T354 CarbonylContact O-C 3.56Å; C325-T354 VanDerWaalsContact O-CA 3.29Å; C325-T354 WeakPolarHBondContact O-CA 3.47Å; C325-T355 PolarHBondContact O-N 3.13Å |
| 326 | D | 92.7 | Very high | 81.8 | Confident | 15 Ų | 15 | 28.3 Ų | 28.3 | 8% | 0.08 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 115.8 | 169 | -164.7 | -23.9 | 0 | 0 | 0 | 110.4 | N236 T328 L336 | N236-D326 HydrophobicContact CB-CB 4.42Å; D326-T328 WeakPolarHBondContact OD1-CB 3.4Å; D326-T328 VanDerWaalsContact OD1-CG2 3.31Å; D326-T328 WeakPolarHBondContact OD1-CG2 3.22Å; D326-T328 PolarHBondContact OD1-N 3.26Å; D326-T328 PolarHBondContact OD1-OG1 3.33Å; D326-L336 WeakPolarHBondContact O-CD1 3.48Å |
| 327 | T | 87.1 | Confident | 82.2 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | trans | -109 | 15.8 | -179.2 | 65.9 | 0 | 0 | 0 | 0 | 113.2 | C325 D329 Y333 L336 T355 | C325-T327 WeakPolarHBondContact SG-CG2 3.31Å; T327-D329 PolarHBondContact O-N 3.45Å; T327-Y333 HydrophobicContact CG2-CD2 4.32Å; T327-L336 HydrophobicContact CG2-CB 4.29Å; T327-T355 PolarHBondContact N-O 3.19Å; T327-T355 PolarHBondContact OG1-O 3.04Å | ||
| 328 | T | 86 | Confident | 83.5 | Confident | 50 Ų | 50 | 29.5 Ų | 29.5 | 31% | 0.307 | 17% | 0.174 | S | C | . | . | trans | -67.8 | -19.2 | 177.3 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | D326 I330 T355 | D326-T328 WeakPolarHBondContact OD1-CB 3.4Å; D326-T328 VanDerWaalsContact OD1-CG2 3.31Å; D326-T328 WeakPolarHBondContact OD1-CG2 3.22Å; D326-T328 PolarHBondContact OD1-N 3.26Å; D326-T328 PolarHBondContact OD1-OG1 3.33Å; T328-I330 PolarHBondContact O-N 3.39Å; T328-I330 VanDerWaalsContact O-N 3.09Å; T328-T355 HydrophobicContact CG2-CG2 3.84Å | ||
| 329 | D | 79.5 | Confident | 84.6 | Confident | 27 Ų | 27 | 24.3 Ų | 24.3 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | trans | -75.2 | 97.4 | 163.9 | -173.6 | -0.7 | 0 | 0 | 0 | 109.7 | T327 R331 S332 Y333 | T327-D329 PolarHBondContact O-N 3.45Å; D329-R331 PolarHBondContact O-N 3.03Å; D329-R331 VanDerWaalsContact O-N 3.13Å; D329-R331 VanDerWaalsContact OD1-CB 3.31Å; D329-R331 WeakPolarHBondContact OD1-CB 3.33Å; D329-R331 IonicContact OD1-CZ 3.81Å; D329-R331 PolarHBondContact OD1-N 3.1Å; D329-R331 IonicContact OD1-NE 3.88Å; D329-R331 PolarHBondContact OD1-NE 2.9Å; D329-R331 IonicContact OD1-NH2 2.77Å; D329-R331 PolarHBondContact OD1-NH2 3.01Å; D329-R331 IonicContact OD2-CZ 2.87Å; D329-R331 IonicContact OD2-NE 2.79Å; D329-R331 IonicContact OD2-NH2 2.73Å; D329-R331 PolarHBondContact OD2-NH2 3.13Å; D329-S332 PolarHBondContact O-N 2.86Å; D329-S332 PolarHBondContact OD2-OG 2.97Å; D329-Y333 PolarHBondContact O-N 2.7Å; D329-Y333 VanDerWaalsContact O-N 3.1Å | ||
| 330 | I | 71.3 | Confident | 85.5 | Confident | 4 Ų | 4 | 22.2 Ų | 22.2 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -36.4 | 177.5 | -60.1 | -169.2 | 0 | 0 | 0 | 111 | T328 S332 Y333 L360 F385 T416 A420 V430 | T328-I330 PolarHBondContact O-N 3.39Å; T328-I330 VanDerWaalsContact O-N 3.09Å; I330-S332 PolarHBondContact O-N 3.09Å; I330-Y333 WeakPolarHBondContact O-CB 3.48Å; I330-Y333 PolarHBondContact O-N 3.33Å; I330-L360 HydrophobicContact CD1-CD2 4.15Å; I330-L360 HydrophobicContact CG1-CD1 4.31Å; I330-L360 HydrophobicContact CG1-CD2 4.29Å; I330-F385 HydrophobicContact CD1-CZ 4.25Å; I330-T416 HydrophobicContact CB-CG2 4.41Å; I330-T416 HydrophobicContact CD1-CG2 3.54Å; I330-T416 HydrophobicContact CG1-CG2 3.98Å; I330-A420 HydrophobicContact CD1-CB 4.23Å; I330-V430 HydrophobicContact CG2-CB 4.16Å; I330-V430 HydrophobicContact CG2-CG1 3.68Å; I330-V430 HydrophobicContact CG2-CG2 4.25Å; I330-V430 WeakPolarHBondContact O-CG2 3.27Å |
| 331 | R | 70.4 | Confident | 85.6 | Confident | 42 Ų | 42 | 22.2 Ų | 22.2 | 16% | 0.158 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -33.3 | -178.6 | -60.3 | -179.7 | -59.3 | -105.5 | -9.4 | 112.7 | D329 D419 | D329-R331 PolarHBondContact O-N 3.03Å; D329-R331 VanDerWaalsContact O-N 3.13Å; D329-R331 VanDerWaalsContact OD1-CB 3.31Å; D329-R331 WeakPolarHBondContact OD1-CB 3.33Å; D329-R331 IonicContact OD1-CZ 3.81Å; D329-R331 PolarHBondContact OD1-N 3.1Å; D329-R331 IonicContact OD1-NE 3.88Å; D329-R331 PolarHBondContact OD1-NE 2.9Å; D329-R331 IonicContact OD1-NH2 2.77Å; D329-R331 PolarHBondContact OD1-NH2 3.01Å; D329-R331 IonicContact OD2-CZ 2.87Å; D329-R331 IonicContact OD2-NE 2.79Å; D329-R331 IonicContact OD2-NH2 2.73Å; D329-R331 PolarHBondContact OD2-NH2 3.13Å; R331-D419 VanDerWaalsContact CG-OD2 3.29Å; R331-D419 WeakPolarHBondContact CG-OD2 3.29Å |
| 332 | S | 74.7 | Confident | 85.4 | Confident | 30 Ų | 30 | 22.1 Ų | 22.1 | 21% | 0.21 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -12.9 | -175.7 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | D329 I330 S334 S335 L336 | D329-S332 PolarHBondContact O-N 2.86Å; D329-S332 PolarHBondContact OD2-OG 2.97Å; I330-S332 PolarHBondContact O-N 3.09Å; S332-S334 VanDerWaalsContact C-N 3.34Å; S332-S334 PolarHBondContact O-N 3.28Å; S332-S334 VanDerWaalsContact O-N 3.17Å; S332-S335 PolarHBondContact O-N 3.3Å; S332-S335 VanDerWaalsContact O-N 3.14Å; S332-L336 WeakPolarHBondContact O-CB 3.47Å; S332-L336 VanDerWaalsContact O-CG 3.27Å; S332-L336 WeakPolarHBondContact O-CG 3.32Å; S332-L336 PolarHBondContact O-N 3.35Å |
| 333 | Y | 77.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -49.8 | -46.2 | -172.2 | 177.7 | -84 | 0 | 0 | 0 | 114.1 | T327 D329 I330 L336 T337 L360 R364 V430 A434 | T327-Y333 HydrophobicContact CG2-CD2 4.32Å; D329-Y333 PolarHBondContact O-N 2.7Å; D329-Y333 VanDerWaalsContact O-N 3.1Å; I330-Y333 WeakPolarHBondContact O-CB 3.48Å; I330-Y333 PolarHBondContact O-N 3.33Å; Y333-L336 PolarHBondContact O-N 3.01Å; Y333-T337 HydrophobicContact CD1-CG2 4.04Å; Y333-T337 HydrophobicContact CD2-CG2 4.3Å; Y333-T337 HydrophobicContact CE1-CG2 3.7Å; Y333-T337 HydrophobicContact CE2-CG2 3.95Å; Y333-T337 HydrophobicContact CG-CG2 4.33Å; Y333-T337 WeakPolarHBondContact O-CB 3.33Å; Y333-T337 VanDerWaalsContact O-CG2 3.3Å; Y333-T337 WeakPolarHBondContact O-CG2 3.42Å; Y333-T337 PolarHBondContact O-N 3.09Å; Y333-T337 PolarHBondContact O-OG1 3.5Å; Y333-L360 HydrophobicContact CD2-CD1 3.26Å; Y333-L360 HydrophobicContact CE2-CB 4.24Å; Y333-L360 HydrophobicContact CE2-CD1 3.56Å; Y333-L360 HydrophobicContact CG-CD1 3.98Å; Y333-R364 PolarHBondContact OH-NH2 3.36Å; Y333-V430 HydrophobicContact CD1-CB 4.11Å; Y333-V430 HydrophobicContact CD1-CG1 3.51Å; Y333-V430 HydrophobicContact CD1-CG2 4.32Å; Y333-V430 HydrophobicContact CD2-CG1 4.29Å; Y333-V430 HydrophobicContact CE1-CG1 4.22Å; Y333-V430 HydrophobicContact CG-CB 4.49Å; Y333-V430 HydrophobicContact CG-CG1 3.55Å; Y333-A434 HydrophobicContact CE1-CB 4.18Å; Y333-A434 PolarHBondContact OH-O 2.94Å |
| 334 | S | 76.3 | Confident | 85 | Confident | 7 Ų | 7 | 22.4 Ų | 22.4 | 5% | 0.049 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70 | -36.9 | -176 | 69.5 | 0 | 0 | 0 | 0 | 113.1 | T184 S332 T337 K338 G428 | T184-S334 PolarHBondContact OG1-OG 2.89Å; S332-S334 VanDerWaalsContact C-N 3.34Å; S332-S334 PolarHBondContact O-N 3.28Å; S332-S334 VanDerWaalsContact O-N 3.17Å; S334-T337 WeakPolarHBondContact CA-OG1 3.33Å; S334-T337 PolarHBondContact O-OG1 3.45Å; S334-K338 VanDerWaalsContact O-CG 3.26Å; S334-K338 WeakPolarHBondContact O-CG 3.27Å; S334-K338 PolarHBondContact O-N 2.85Å; S334-G428 WeakPolarHBondContact CB-O 3.43Å; S334-G428 PolarHBondContact OG-O 3.06Å |
| 335 | S | 80 | Confident | 84.7 | Confident | 41 Ų | 41 | 28.2 Ų | 28.2 | 29% | 0.287 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -68.9 | -43.4 | 174.3 | -63.4 | 0 | 0 | 0 | 0 | 110.6 | S332 K338 L339 | S332-S335 PolarHBondContact O-N 3.3Å; S332-S335 VanDerWaalsContact O-N 3.14Å; S335-K338 PolarHBondContact O-N 2.9Å; S335-L339 WeakPolarHBondContact O-CB 3.31Å; S335-L339 PolarHBondContact O-N 2.9Å |
| 336 | L | 84.5 | Confident | 84.5 | Confident | 17 Ų | 17 | 29.4 Ų | 29.4 | 9% | 0.089 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.3 | -42.3 | 178.9 | -66.7 | 176.4 | 0 | 0 | 0 | 112.6 | L235 D326 T327 S332 Y333 L339 L340 | L235-L336 HydrophobicContact CB-CD2 4.01Å; L235-L336 WeakPolarHBondContact O-CD2 3.31Å; D326-L336 WeakPolarHBondContact O-CD1 3.48Å; T327-L336 HydrophobicContact CG2-CB 4.29Å; S332-L336 WeakPolarHBondContact O-CB 3.47Å; S332-L336 VanDerWaalsContact O-CG 3.27Å; S332-L336 WeakPolarHBondContact O-CG 3.32Å; S332-L336 PolarHBondContact O-N 3.35Å; Y333-L336 PolarHBondContact O-N 3.01Å; L336-L339 PolarHBondContact O-N 3.38Å; L336-L340 WeakPolarHBondContact O-CB 3.36Å; L336-L340 PolarHBondContact O-N 3.3Å |
| 337 | T | 84 | Confident | 84.5 | Confident | 14 Ų | 14 | 29.8 Ų | 29.8 | 9% | 0.086 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.2 | -38.6 | 178.2 | 48.2 | 0 | 0 | 0 | 0 | 112.5 | Y333 S334 L340 A341 L436 | Y333-T337 HydrophobicContact CD1-CG2 4.04Å; Y333-T337 HydrophobicContact CD2-CG2 4.3Å; Y333-T337 HydrophobicContact CE1-CG2 3.7Å; Y333-T337 HydrophobicContact CE2-CG2 3.95Å; Y333-T337 HydrophobicContact CG-CG2 4.33Å; Y333-T337 WeakPolarHBondContact O-CB 3.33Å; Y333-T337 VanDerWaalsContact O-CG2 3.3Å; Y333-T337 WeakPolarHBondContact O-CG2 3.42Å; Y333-T337 PolarHBondContact O-N 3.09Å; Y333-T337 PolarHBondContact O-OG1 3.5Å; S334-T337 WeakPolarHBondContact CA-OG1 3.33Å; S334-T337 PolarHBondContact O-OG1 3.45Å; T337-L340 PolarHBondContact O-N 3.28Å; T337-A341 WeakPolarHBondContact O-CB 3.21Å; T337-A341 PolarHBondContact O-N 3.47Å; T337-L436 HydrophobicContact CG2-CD1 4.08Å |
| 338 | K | 85 | Confident | 84.7 | Confident | 138 Ų | 138 | 39 Ų | 39 | 60% | 0.6 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -63.9 | -45.4 | 172.1 | -73.3 | 172.7 | -173.9 | 171.8 | 0 | 111.9 | S334 S335 L340 A341 G342 | S334-K338 VanDerWaalsContact O-CG 3.26Å; S334-K338 WeakPolarHBondContact O-CG 3.27Å; S334-K338 PolarHBondContact O-N 2.85Å; S335-K338 PolarHBondContact O-N 2.9Å; K338-L340 VanDerWaalsContact C-N 3.34Å; K338-A341 PolarHBondContact O-N 2.78Å; K338-G342 PolarHBondContact O-N 3.05Å; K338-G342 VanDerWaalsContact O-N 3.09Å |
| 339 | L | 88.3 | Confident | 85.1 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 175.9 | 177.4 | 57.5 | 0 | 0 | 0 | 110.9 | L235 A265 V267 V303 S335 L336 A341 G342 I343 | L235-L339 HydrophobicContact CB-CD2 4.33Å; L235-L339 HydrophobicContact CD2-CB 4.15Å; L235-L339 HydrophobicContact CD2-CD2 3.8Å; L235-L339 HydrophobicContact CD2-CG 3.78Å; L235-L339 HydrophobicContact CG-CD2 3.69Å; L235-L339 HydrophobicContact CG-CG 4.09Å; A265-L339 HydrophobicContact CB-CD2 4.31Å; V267-L339 HydrophobicContact CG2-CB 3.93Å; V267-L339 HydrophobicContact CG2-CD1 3.61Å; V267-L339 HydrophobicContact CG2-CD2 3.78Å; V267-L339 HydrophobicContact CG2-CG 3.95Å; V303-L339 HydrophobicContact CB-CD1 3.73Å; V303-L339 HydrophobicContact CG1-CD1 3.85Å; V303-L339 HydrophobicContact CG2-CD1 3.79Å; S335-L339 WeakPolarHBondContact O-CB 3.31Å; S335-L339 PolarHBondContact O-N 2.9Å; L336-L339 PolarHBondContact O-N 3.38Å; L339-A341 PolarHBondContact O-N 3.39Å; L339-G342 PolarHBondContact O-N 2.97Å; L339-I343 HydrophobicContact CD1-CD1 3.82Å; L339-I343 HydrophobicContact CD1-CG1 4.2Å; L339-I343 HydrophobicContact CG-CD1 3.84Å; L339-I343 WeakPolarHBondContact O-CB 3.48Å; L339-I343 WeakPolarHBondContact O-CG1 3.44Å; L339-I343 PolarHBondContact O-N 3.17Å |
| 340 | L | 91.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 178.5 | 180 | 55.9 | 0 | 0 | 0 | 111.4 | L235 V323 C325 L336 T337 K338 G342 I343 V344 V352 T354 L436 L438 | L235-L340 HydrophobicContact CD2-CB 3.77Å; L235-L340 HydrophobicContact CD2-CD1 4.35Å; V323-L340 HydrophobicContact CG1-CD1 3.55Å; C325-L340 HydrophobicContact CB-CD1 4.25Å; C325-L340 HydrophobicContact CB-CD2 3.8Å; L336-L340 WeakPolarHBondContact O-CB 3.36Å; L336-L340 PolarHBondContact O-N 3.3Å; T337-L340 PolarHBondContact O-N 3.28Å; K338-L340 VanDerWaalsContact C-N 3.34Å; L340-G342 PolarHBondContact O-N 3.07Å; L340-I343 PolarHBondContact O-N 3.34Å; L340-V344 HydrophobicContact CD1-CG2 3.76Å; L340-V344 HydrophobicContact CG-CG2 4.34Å; L340-V344 VanDerWaalsContact O-CB 3.31Å; L340-V344 WeakPolarHBondContact O-CB 3.31Å; L340-V344 VanDerWaalsContact O-CG2 3.28Å; L340-V344 WeakPolarHBondContact O-CG2 3.21Å; L340-V344 PolarHBondContact O-N 3.25Å; L340-V352 HydrophobicContact CD1-CG1 3.99Å; L340-T354 HydrophobicContact CD2-CG2 3.84Å; L340-L436 HydrophobicContact CD2-CD1 3.4Å; L340-L436 HydrophobicContact CD2-CD2 4.14Å; L340-L436 HydrophobicContact CD2-CG 4.32Å; L340-L436 HydrophobicContact CG-CD1 4.2Å; L340-L438 HydrophobicContact CD2-CD2 4.18Å; L340-L438 HydrophobicContact CG-CD2 4.05Å |
| 341 | A | 89.7 | Confident | 87 | Confident | 51 Ų | 51 | 37.8 Ų | 37.8 | 42% | 0.421 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T337 K338 L339 R345 | T337-A341 WeakPolarHBondContact O-CB 3.21Å; T337-A341 PolarHBondContact O-N 3.47Å; K338-A341 PolarHBondContact O-N 2.78Å; L339-A341 PolarHBondContact O-N 3.39Å; A341-R345 VanDerWaalsContact O-CB 3.3Å; A341-R345 WeakPolarHBondContact O-CB 3.34Å; A341-R345 PolarHBondContact O-N 3.28Å |
| 342 | G | 90.3 | Very high | 88.3 | Confident | 12 Ų | 12 | 35.8 Ų | 35.8 | 12% | 0.124 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62 | -47.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K338 L339 L340 R345 I346 | K338-G342 PolarHBondContact O-N 3.05Å; K338-G342 VanDerWaalsContact O-N 3.09Å; L339-G342 PolarHBondContact O-N 2.97Å; L340-G342 PolarHBondContact O-N 3.07Å; G342-R345 PolarHBondContact O-N 3.47Å; G342-I346 PolarHBondContact O-N 2.6Å; G342-I346 VanDerWaalsContact O-N 3.1Å |
| 343 | I | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -48.1 | 177.2 | -79.2 | 173.1 | 0 | 0 | 0 | 111.2 | V233 L235 A265 L309 V323 L339 L340 R345 I346 L347 | V233-I343 HydrophobicContact CG1-CD1 4.23Å; L235-I343 HydrophobicContact CD1-CD1 3.72Å; L235-I343 HydrophobicContact CD2-CD1 4.26Å; L235-I343 HydrophobicContact CG-CD1 4.1Å; A265-I343 HydrophobicContact CB-CD1 3.98Å; L309-I343 HydrophobicContact CD1-CG1 4.39Å; L309-I343 HydrophobicContact CD2-CG1 3.74Å; V323-I343 HydrophobicContact CB-CG2 4.46Å; V323-I343 HydrophobicContact CG1-CG2 4.11Å; V323-I343 HydrophobicContact CG2-CG2 3.52Å; L339-I343 HydrophobicContact CD1-CD1 3.82Å; L339-I343 HydrophobicContact CD1-CG1 4.2Å; L339-I343 HydrophobicContact CG-CD1 3.84Å; L339-I343 WeakPolarHBondContact O-CB 3.48Å; L339-I343 WeakPolarHBondContact O-CG1 3.44Å; L339-I343 PolarHBondContact O-N 3.17Å; L340-I343 PolarHBondContact O-N 3.34Å; I343-R345 PolarHBondContact O-N 3.1Å; I343-I346 PolarHBondContact O-N 2.96Å; I343-L347 HydrophobicContact CG2-CD1 3.97Å; I343-L347 HydrophobicContact CG2-CG 4.29Å; I343-L347 WeakPolarHBondContact O-CA 3.36Å; I343-L347 VanDerWaalsContact O-CB 3.25Å; I343-L347 WeakPolarHBondContact O-CB 3.44Å; I343-L347 PolarHBondContact O-N 2.89Å |
| 344 | V | 92.4 | Very high | 90.2 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.036 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | -177.2 | 165.5 | 0 | 0 | 0 | 0 | 111.2 | L340 I346 R348 P349 V352 L438 F441 | L340-V344 HydrophobicContact CD1-CG2 3.76Å; L340-V344 HydrophobicContact CG-CG2 4.34Å; L340-V344 VanDerWaalsContact O-CB 3.31Å; L340-V344 WeakPolarHBondContact O-CB 3.31Å; L340-V344 VanDerWaalsContact O-CG2 3.28Å; L340-V344 WeakPolarHBondContact O-CG2 3.21Å; L340-V344 PolarHBondContact O-N 3.25Å; V344-I346 PolarHBondContact O-N 3.49Å; V344-R348 WeakPolarHBondContact O-CA 3.39Å; V344-R348 PolarHBondContact O-N 3.47Å; V344-P349 HydrophobicContact CG2-CG 4.29Å; V344-V352 HydrophobicContact CG2-CG2 3.79Å; V344-L438 HydrophobicContact CG1-CB 4.47Å; V344-L438 HydrophobicContact CG1-CD2 4.46Å; V344-L438 HydrophobicContact CG2-CD2 4.07Å; V344-F441 HydrophobicContact CG1-CD2 3.54Å; V344-F441 HydrophobicContact CG1-CE2 3.31Å; V344-F441 HydrophobicContact CG1-CG 4.45Å; V344-F441 HydrophobicContact CG1-CZ 4.01Å |
| 345 | R | 90.7 | Very high | 91.1 | Very high | 125 Ų | 125 | 34.3 Ų | 34.3 | 47% | 0.472 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.4 | -42 | 177.4 | 179 | 176.1 | 53.5 | 84.1 | 2.6 | 112.9 | D306 A341 G342 I343 | D306-R345 IonicContact OD1-CZ 3.6Å; D306-R345 IonicContact OD1-NH2 3.35Å; D306-R345 PolarHBondContact OD1-NH2 3.14Å; D306-R345 IonicContact OD2-CZ 2.7Å; D306-R345 VanDerWaalsContact OD2-CZ 3.24Å; D306-R345 IonicContact OD2-NH1 3.6Å; D306-R345 PolarHBondContact OD2-NH1 3.05Å; D306-R345 IonicContact OD2-NH2 2.9Å; D306-R345 PolarHBondContact OD2-NH2 2.85Å; A341-R345 VanDerWaalsContact O-CB 3.3Å; A341-R345 WeakPolarHBondContact O-CB 3.34Å; A341-R345 PolarHBondContact O-N 3.28Å; G342-R345 PolarHBondContact O-N 3.47Å; I343-R345 PolarHBondContact O-N 3.1Å |
| 346 | I | 91.6 | Very high | 91.6 | Very high | 24 Ų | 24 | 32.5 Ų | 32.5 | 12% | 0.123 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -93.2 | -49.9 | -172 | -65.7 | 168.5 | 0 | 0 | 0 | 112.4 | D306 L309 G342 I343 V344 R348 | D306-I346 HydrophobicContact CB-CD1 3.61Å; D306-I346 WeakPolarHBondContact OD1-CD1 3.32Å; L309-I346 HydrophobicContact CB-CB 4.09Å; L309-I346 HydrophobicContact CB-CD1 3.91Å; L309-I346 HydrophobicContact CB-CG2 3.69Å; L309-I346 HydrophobicContact CD1-CB 4.42Å; L309-I346 HydrophobicContact CD1-CD1 3.68Å; L309-I346 HydrophobicContact CG-CD1 4.42Å; G342-I346 PolarHBondContact O-N 2.6Å; G342-I346 VanDerWaalsContact O-N 3.1Å; I343-I346 PolarHBondContact O-N 2.96Å; V344-I346 PolarHBondContact O-N 3.49Å; I346-R348 VanDerWaalsContact C-N 3.32Å |
| 347 | L | 92 | Very high | 91.9 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 12% | 0.12 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -76.8 | -21.2 | -177.3 | -56.2 | -166.9 | 0 | 0 | 0 | 112.6 | V233 L309 F312 A313 I343 P349 | V233-L347 HydrophobicContact CG2-CD1 4.41Å; L309-L347 HydrophobicContact CB-CD2 4.44Å; L309-L347 WeakPolarHBondContact O-CD2 3.41Å; F312-L347 HydrophobicContact CD1-CD1 3.82Å; F312-L347 HydrophobicContact CD1-CD2 3.87Å; F312-L347 HydrophobicContact CE1-CD1 3.86Å; A313-L347 HydrophobicContact CB-CD2 3.88Å; I343-L347 HydrophobicContact CG2-CD1 3.97Å; I343-L347 HydrophobicContact CG2-CG 4.29Å; I343-L347 WeakPolarHBondContact O-CA 3.36Å; I343-L347 VanDerWaalsContact O-CB 3.25Å; I343-L347 WeakPolarHBondContact O-CB 3.44Å; I343-L347 PolarHBondContact O-N 2.89Å; L347-P349 VanDerWaalsContact C-N 3.35Å |
| 348 | R | 91.4 | Very high | 92.2 | Very high | 198 Ų | 198 | 33.6 Ų | 33.6 | 75% | 0.747 | 16% | 0.155 | S | C | * | . | trans | 43.1 | 57.8 | -177 | -62.4 | -173.3 | 176.6 | -161.4 | -2 | 111.8 | V344 I346 | V344-R348 WeakPolarHBondContact O-CA 3.39Å; V344-R348 PolarHBondContact O-N 3.47Å; I346-R348 VanDerWaalsContact C-N 3.32Å | ||
| 349 | P | 94.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | trans | -59.4 | 149.4 | -174.2 | 28.4 | -37.6 | 0 | 0 | 0 | 111.1 | V321 V323 V344 L347 L351 V352 F441 P490 | V321-P349 WeakPolarHBondContact O-CA 3.22Å; V321-P349 VanDerWaalsContact O-CB 3.25Å; V321-P349 WeakPolarHBondContact O-CB 3.45Å; V323-P349 HydrophobicContact CB-CB 4.35Å; V323-P349 HydrophobicContact CB-CG 4.26Å; V323-P349 HydrophobicContact CG2-CB 3.67Å; V323-P349 HydrophobicContact CG2-CG 3.72Å; V344-P349 HydrophobicContact CG2-CG 4.29Å; L347-P349 VanDerWaalsContact C-N 3.35Å; P349-L351 PolarHBondContact O-N 3.48Å; P349-V352 HydrophobicContact CB-CG2 4.45Å; P349-V352 HydrophobicContact CG-CG2 3.52Å; P349-F441 HydrophobicContact CG-CE1 4.19Å; P349-F441 HydrophobicContact CG-CZ 3.89Å; P349-F441 VanDerWaalsContact O-CE1 3.24Å; P349-F441 WeakPolarHBondContact O-CE1 3.48Å; P349-F441 VanDerWaalsContact O-CZ 3.23Å; P349-F441 WeakPolarHBondContact O-CZ 3.42Å; P349-P490 WeakPolarHBondContact O-CG 3.27Å | ||
| 350 | K | 95 | Very high | 92 | Very high | 52 Ų | 52 | 26.8 Ų | 26.8 | 23% | 0.226 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -68.5 | -23.1 | 176.8 | 61.7 | 173.5 | -87.8 | 174.3 | 0 | 112.8 | G223 D227 S320 V321 V322 P490 | G223-K350 WeakPolarHBondContact O-CE 3.36Å; G223-K350 PolarHBondContact O-NZ 3.03Å; D227-K350 IonicContact OD1-NZ 2.86Å; D227-K350 PolarHBondContact OD1-NZ 3.13Å; D227-K350 IonicContact OD2-NZ 2.68Å; D227-K350 PolarHBondContact OD2-NZ 3.1Å; S320-K350 WeakPolarHBondContact OG-CB 3.3Å; S320-K350 WeakPolarHBondContact OG-CD 3.2Å; S320-K350 WeakPolarHBondContact OG-CG 3.34Å; V321-K350 PolarHBondContact O-N 3.38Å; V322-K350 HydrophobicContact CG2-CG 4.34Å; K350-P490 VanDerWaalsContact O-CD 3.22Å; K350-P490 WeakPolarHBondContact O-CD 3.25Å |
| 351 | L | 95.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 135.3 | -176.4 | -168.6 | 75.4 | 0 | 0 | 0 | 108.9 | A219 V322 V323 P349 V353 V487 W488 T489 | A219-L351 WeakPolarHBondContact O-CD2 3.45Å; V322-L351 WeakPolarHBondContact CA-O 3.45Å; V322-L351 HydrophobicContact CG1-CB 4.03Å; V322-L351 HydrophobicContact CG1-CD2 3.95Å; V322-L351 HydrophobicContact CG1-CG 4.32Å; V322-L351 HydrophobicContact CG2-CB 4.1Å; V322-L351 HydrophobicContact CG2-CD2 4.45Å; V323-L351 PolarHBondContact N-O 3.01Å; P349-L351 PolarHBondContact O-N 3.48Å; L351-V353 HydrophobicContact CD2-CG2 3.91Å; L351-V353 HydrophobicContact CG-CG2 4.17Å; L351-V487 HydrophobicContact CD1-CG1 3.41Å; L351-V487 VanDerWaalsContact CD1-CG1 3.41Å; L351-V487 HydrophobicContact CG-CG1 4.18Å; L351-W488 WeakPolarHBondContact CA-O 3.29Å; L351-T489 HydrophobicContact CD1-CG2 3.79Å |
| 352 | V | 96.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131.5 | 167.1 | -174.9 | 0 | 0 | 0 | 0 | 107.6 | V323 L340 V344 P349 T354 L438 F441 V487 W488 | V323-V352 HydrophobicContact CB-CG1 4.35Å; V323-V352 HydrophobicContact CB-CG2 4.33Å; V323-V352 HydrophobicContact CG1-CG1 4.31Å; V323-V352 CarbonylContact O-C 3.6Å; V323-V352 WeakPolarHBondContact O-CA 3.44Å; L340-V352 HydrophobicContact CD1-CG1 3.99Å; V344-V352 HydrophobicContact CG2-CG2 3.79Å; P349-V352 HydrophobicContact CB-CG2 4.45Å; P349-V352 HydrophobicContact CG-CG2 3.52Å; V352-T354 HydrophobicContact CG1-CG2 3.89Å; V352-L438 HydrophobicContact CB-CD1 4.03Å; V352-L438 HydrophobicContact CG1-CD1 3.82Å; V352-L438 HydrophobicContact CG2-CD1 4.35Å; V352-F441 HydrophobicContact CG2-CD1 3.99Å; V352-F441 HydrophobicContact CG2-CE1 3.67Å; V352-F441 HydrophobicContact CG2-CZ 4.28Å; V352-V487 CarbonylContact O-C 3.58Å; V352-W488 HydrophobicContact CB-CB 4.15Å; V352-W488 PolarHBondContact N-O 3.34Å; V352-W488 PolarHBondContact O-N 2.99Å |
| 353 | V | 96.5 | Very high | 89 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 122.8 | 174.6 | -173.6 | 0 | 0 | 0 | 0 | 107.6 | A216 A219 I220 V323 S324 C325 L351 V485 V487 | A216-V353 HydrophobicContact CB-CG1 3.61Å; A219-V353 HydrophobicContact CB-CG2 4.19Å; I220-V353 HydrophobicContact CG1-CG2 4.14Å; V323-V353 PolarHBondContact O-N 3.4Å; S324-V353 WeakPolarHBondContact CA-O 3.44Å; C325-V353 PolarHBondContact N-O 3.12Å; L351-V353 HydrophobicContact CD2-CG2 3.91Å; L351-V353 HydrophobicContact CG-CG2 4.17Å; V353-V485 HydrophobicContact CG1-CG1 3.85Å; V353-V487 HydrophobicContact CG1-CG2 4.39Å; V353-V487 HydrophobicContact CG2-CG2 4.38Å |
| 354 | T | 95.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.9 | -177.2 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | C325 L340 V352 L436 V485 S486 W488 | C325-T354 HydrophobicContact CB-CG2 4.41Å; C325-T354 CarbonylContact O-C 3.56Å; C325-T354 VanDerWaalsContact O-CA 3.29Å; C325-T354 WeakPolarHBondContact O-CA 3.47Å; L340-T354 HydrophobicContact CD2-CG2 3.84Å; V352-T354 HydrophobicContact CG1-CG2 3.89Å; T354-L436 HydrophobicContact CG2-CD2 3.54Å; T354-V485 WeakPolarHBondContact O-CA 3.49Å; T354-S486 PolarHBondContact N-O 2.6Å; T354-S486 PolarHBondContact O-N 3.15Å; T354-S486 PolarHBondContact OG1-O 3.39Å; T354-W488 PolarHBondContact OG1-NE1 2.94Å |
| 355 | T | 94.9 | Very high | 85.9 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.3 | 167.8 | -51.8 | 0 | 0 | 0 | 0 | 108.3 | A212 C325 T327 T328 S484 V485 | A212-T355 HydrophobicContact CB-CG2 3.66Å; C325-T355 PolarHBondContact O-N 3.13Å; T327-T355 PolarHBondContact N-O 3.19Å; T327-T355 PolarHBondContact OG1-O 3.04Å; T328-T355 HydrophobicContact CG2-CG2 3.84Å; T355-S484 WeakPolarHBondContact CA-O 3.46Å; T355-V485 HydrophobicContact CG2-CG2 4.34Å |
| 356 | E | 91.2 | Very high | 84.1 | Confident | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 142 | -177.5 | -59 | -177.4 | 133.1 | 0 | 0 | 110 | R364 R472 T483 S484 | E356-R364 IonicContact OE1-CZ 2.95Å; E356-R364 IonicContact OE1-NH1 3.58Å; E356-R364 PolarHBondContact OE1-NH1 3.24Å; E356-R364 IonicContact OE1-NH2 2.86Å; E356-R364 PolarHBondContact OE1-NH2 3.33Å; E356-R364 IonicContact OE2-NH1 3.24Å; E356-R364 PolarHBondContact OE2-NH1 2.7Å; E356-R472 IonicContact OE2-CZ 3.25Å; E356-R472 IonicContact OE2-NH1 3.63Å; E356-R472 PolarHBondContact OE2-NH1 3.45Å; E356-R472 IonicContact OE2-NH2 3.18Å; E356-T483 WeakPolarHBondContact O-CA 3.43Å; E356-T483 PolarHBondContact O-OG1 2.99Å; E356-S484 PolarHBondContact N-O 2.95Å; E356-S484 PolarHBondContact O-N 3.08Å |
| 357 | E | 90.8 | Very high | 82.3 | Confident | 24 Ų | 24 | 42.1 Ų | 42.1 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 133.7 | 164.4 | -173.4 | 160 | -169.9 | 0 | 0 | 110 | L359 L360 H384 | E357-L359 HydrophobicContact CG-CB 4.38Å; E357-L359 PolarHBondContact O-N 3.23Å; E357-L360 HydrophobicContact CB-CD1 4.36Å; E357-L360 HydrophobicContact CB-CG 4.27Å; E357-L360 WeakPolarHBondContact O-CB 3.49Å; E357-L360 PolarHBondContact O-N 2.79Å; E357-H384 IonicContact OE1-CD2 3.18Å; E357-H384 IonicContact OE1-CE1 2.71Å; E357-H384 IonicContact OE1-NE2 3.22Å; E357-H384 PolarHBondContact OE1-NE2 2.87Å |
| 358 | E | 89.7 | Confident | 80.3 | Confident | 31 Ų | 31 | 45.3 Ų | 45.3 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -64.8 | -31.1 | -169.8 | -165.1 | 67.5 | -164.6 | 0 | 0 | 112.5 | L360 R361 R472 P481 L482 S484 | E358-L360 PolarHBondContact O-N 2.85Å; E358-L360 VanDerWaalsContact O-N 3.16Å; E358-R361 WeakPolarHBondContact O-CB 3.42Å; E358-R361 PolarHBondContact O-N 2.79Å; E358-R361 IonicContact OE1-CZ 3.87Å; E358-R361 IonicContact OE1-NE 3.62Å; E358-R361 IonicContact OE1-NH1 3.79Å; E358-R361 PolarHBondContact OE1-NH1 3.11Å; E358-R361 IonicContact OE2-NH1 3.34Å; E358-R472 IonicContact OE2-NH2 2.66Å; E358-R472 PolarHBondContact OE2-NH2 3.36Å; E358-P481 HydrophobicContact CG-CB 3.98Å; E358-L482 WeakPolarHBondContact CB-O 3.41Å; E358-L482 PolarHBondContact N-O 3.08Å; E358-S484 PolarHBondContact OE2-OG 3.21Å |
| 359 | L | 88.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -53.3 | -36.7 | 174.3 | 179 | 58.1 | 0 | 0 | 0 | 112.6 | E357 R361 A362 F377 E380 A381 H384 F385 | E357-L359 HydrophobicContact CG-CB 4.38Å; E357-L359 PolarHBondContact O-N 3.23Å; L359-R361 PolarHBondContact O-N 2.54Å; L359-A362 WeakPolarHBondContact O-CB 3.31Å; L359-A362 PolarHBondContact O-N 3.38Å; L359-F377 HydrophobicContact CD1-CD2 4.32Å; L359-F377 HydrophobicContact CD1-CE2 3.65Å; L359-F377 HydrophobicContact CD1-CZ 4.07Å; L359-F377 HydrophobicContact CD2-CE2 4.36Å; L359-F377 HydrophobicContact CD2-CZ 4.06Å; L359-F377 HydrophobicContact CG-CE2 3.84Å; L359-F377 HydrophobicContact CG-CZ 4.06Å; L359-E380 HydrophobicContact CD1-CB 4.49Å; L359-E380 HydrophobicContact CD1-CG 3.98Å; L359-A381 HydrophobicContact CD1-CB 3.89Å; L359-A381 HydrophobicContact CD2-CB 3.95Å; L359-H384 HydrophobicContact CB-CB 4.4Å; L359-H384 HydrophobicContact CD1-CB 4.34Å; L359-F385 HydrophobicContact CD2-CD2 4.19Å; L359-F385 HydrophobicContact CD2-CE2 3.4Å; L359-F385 HydrophobicContact CD2-CZ 3.67Å |
| 360 | L | 81.3 | Confident | 77.4 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -71.1 | -13.8 | -177.8 | -54.7 | -174.4 | 0 | 0 | 0 | 112.6 | I330 Y333 E357 E358 V430 T431 | I330-L360 HydrophobicContact CD1-CD2 4.15Å; I330-L360 HydrophobicContact CG1-CD1 4.31Å; I330-L360 HydrophobicContact CG1-CD2 4.29Å; Y333-L360 HydrophobicContact CD2-CD1 3.26Å; Y333-L360 HydrophobicContact CE2-CB 4.24Å; Y333-L360 HydrophobicContact CE2-CD1 3.56Å; Y333-L360 HydrophobicContact CG-CD1 3.98Å; E357-L360 HydrophobicContact CB-CD1 4.36Å; E357-L360 HydrophobicContact CB-CG 4.27Å; E357-L360 WeakPolarHBondContact O-CB 3.49Å; E357-L360 PolarHBondContact O-N 2.79Å; E358-L360 PolarHBondContact O-N 2.85Å; E358-L360 VanDerWaalsContact O-N 3.16Å; L360-V430 HydrophobicContact CD1-CG1 4.02Å; L360-V430 HydrophobicContact CD2-CG1 3.54Å; L360-V430 HydrophobicContact CG-CG1 4.39Å; L360-T431 HydrophobicContact CD2-CG2 3.71Å |
| 361 | R | 78.7 | Confident | 76.4 | Confident | 73 Ų | 73 | 43.6 Ų | 43.6 | 28% | 0.275 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -87.4 | -22.7 | 174.6 | -64.8 | -174.2 | 62.3 | -152.1 | 9.7 | 114.1 | E358 L359 G363 R364 R472 | E358-R361 WeakPolarHBondContact O-CB 3.42Å; E358-R361 PolarHBondContact O-N 2.79Å; E358-R361 IonicContact OE1-CZ 3.87Å; E358-R361 IonicContact OE1-NE 3.62Å; E358-R361 IonicContact OE1-NH1 3.79Å; E358-R361 PolarHBondContact OE1-NH1 3.11Å; E358-R361 IonicContact OE2-NH1 3.34Å; L359-R361 PolarHBondContact O-N 2.54Å; R361-G363 PolarHBondContact O-N 3.29Å; R361-R364 WeakPolarHBondContact O-CB 3.43Å; R361-R364 PolarHBondContact O-N 3.18Å; R361-R472 VanDerWaalsContact CD-NH1 3.33Å; R361-R472 VanDerWaalsContact CZ-NE 3.34Å; R361-R472 VanDerWaalsContact CZ-NH2 3.32Å; R361-R472 VanDerWaalsContact NH1-NE 3.13Å |
| 362 | A | 69.4 | Low | 75.8 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L359 E380 | L359-A362 WeakPolarHBondContact O-CB 3.31Å; L359-A362 PolarHBondContact O-N 3.38Å; A362-E380 HydrophobicContact CB-CG 3.59Å |
| 363 | G | 61.5 | Low | 75.3 | Confident | 15 Ų | 15 | 49.1 Ų | 49.1 | 16% | 0.155 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -10.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R361 N365 | R361-G363 PolarHBondContact O-N 3.29Å; G363-N365 PolarHBondContact O-N 3.41Å |
| 364 | R | 65.4 | Low | 75 | Confident | 55 Ų | 55 | 49.3 Ų | 49.3 | 21% | 0.208 | 32% | 0.315 | C | S | . | . | trans | -88.4 | 86.8 | -178.6 | -63.3 | -174.3 | -177.7 | 168.9 | 4.8 | 110 | Y333 E356 R361 A434 | Y333-R364 PolarHBondContact OH-NH2 3.36Å; E356-R364 IonicContact OE1-CZ 2.95Å; E356-R364 IonicContact OE1-NH1 3.58Å; E356-R364 PolarHBondContact OE1-NH1 3.24Å; E356-R364 IonicContact OE1-NH2 2.86Å; E356-R364 PolarHBondContact OE1-NH2 3.33Å; E356-R364 IonicContact OE2-NH1 3.24Å; E356-R364 PolarHBondContact OE2-NH1 2.7Å; R361-R364 WeakPolarHBondContact O-CB 3.43Å; R361-R364 PolarHBondContact O-N 3.18Å; R364-A434 PolarHBondContact NE-O 3.12Å | ||
| 365 | N | 52.2 | Low | 74.9 | Confident | 72 Ų | 72 | 49.5 Ų | 49.5 | 39% | 0.385 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 153.5 | 171.1 | -78.2 | -31.6 | 0 | 0 | 0 | 111.8 | G363 A369 A370 | G363-N365 PolarHBondContact O-N 3.41Å; N365-A369 HydrophobicContact CB-CB 3.55Å; N365-A370 PolarHBondContact ND2-O 2.8Å |
| 366 | H | 53.5 | Low | 74.7 | Confident | 165 Ų | 165 | 49.9 Ų | 49.9 | 76% | 0.764 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -54 | 151.9 | 163.4 | -76.3 | -66.2 | 0 | 0 | 0 | 110.5 | G368 A369 | H366-G368 PolarHBondContact O-N 2.78Å; H366-A369 PolarHBondContact O-N 3.44Å |
| 367 | P | 53.7 | Low | 74.7 | Confident | 130 Ų | 130 | 49.8 Ų | 49.8 | 84% | 0.844 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | 118.6 | 173.5 | -24.8 | 32.5 | 0 | 0 | 0 | 110.7 | ||
| 368 | G | 51.2 | Low | 74.8 | Confident | 90 Ų | 90 | 48.6 Ų | 48.6 | 93% | 0.928 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | -7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | H366 | H366-G368 PolarHBondContact O-N 2.78Š|
| 369 | A | 59.7 | Low | 75 | Confident | 53 Ų | 53 | 51.1 Ų | 51.1 | 44% | 0.438 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 138.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | N365 H366 A371 | N365-A369 HydrophobicContact CB-CB 3.55Å; H366-A369 PolarHBondContact O-N 3.44Å; A369-A371 PolarHBondContact O-N 3.16Å |
| 370 | A | 65.4 | Low | 75.2 | Confident | 90 Ų | 90 | 53.5 Ų | 53.5 | 74% | 0.744 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 129.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | N365 I372 | N365-A370 PolarHBondContact ND2-O 2.8Å; A370-I372 PolarHBondContact O-N 3.4Å |
| 371 | A | 73.6 | Confident | 75.8 | Confident | 73 Ų | 73 | 53.3 Ų | 53.3 | 60% | 0.603 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -49 | 139.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A369 T373 | A369-A371 PolarHBondContact O-N 3.16Å; A371-T373 PolarHBondContact O-N 3.17Å |
| 372 | I | 81.7 | Confident | 76.6 | Confident | 39 Ų | 39 | 50.8 Ų | 50.8 | 20% | 0.2 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 132.9 | 177.4 | -165.4 | 171.8 | 0 | 0 | 0 | 109.8 | A370 F377 Y424 | A370-I372 PolarHBondContact O-N 3.4Å; I372-F377 HydrophobicContact CD1-CB 4.24Å; I372-F377 HydrophobicContact CG1-CB 4.49Å; I372-F377 HydrophobicContact CG2-CB 4.25Å; I372-Y424 VanDerWaalsContact CG2-OH 3.29Å; I372-Y424 WeakPolarHBondContact CG2-OH 3.3Å; I372-Y424 PolarHBondContact O-OH 3.5Å |
| 373 | T | 87.4 | Confident | 77.7 | Confident | 78 Ų | 78 | 52.4 Ų | 52.4 | 48% | 0.479 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 157.5 | 174 | 59.8 | 0 | 0 | 0 | 0 | 109.8 | E128 A371 A375 G376 F377 | E128-T373 VanDerWaalsContact OE1-CB 3.25Å; E128-T373 WeakPolarHBondContact OE1-CB 3.48Å; A371-T373 PolarHBondContact O-N 3.17Å; T373-A375 VanDerWaalsContact C-N 3.3Å; T373-A375 PolarHBondContact O-N 3.25Å; T373-G376 WeakPolarHBondContact O-CA 3.27Å; T373-G376 PolarHBondContact O-N 2.9Å; T373-G376 PolarHBondContact OG1-N 3.14Å; T373-F377 PolarHBondContact O-N 2.97Å |
| 374 | F | 90.5 | Very high | 79.3 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 175.3 | 171.5 | -110.9 | 0 | 0 | 0 | 110.7 | A124 V127 E128 L173 R176 G376 F377 F378 V421 Y424 | A124-F374 HydrophobicContact CB-CD1 4.44Å; A124-F374 HydrophobicContact CB-CE1 3.93Å; A124-F374 WeakPolarHBondContact O-CD1 3.41Å; V127-F374 HydrophobicContact CB-CE1 4.28Å; V127-F374 HydrophobicContact CG1-CE1 4.2Å; E128-F374 HydrophobicContact CB-CB 4.42Å; E128-F374 HydrophobicContact CB-CD1 4.13Å; E128-F374 HydrophobicContact CG-CB 4.41Å; E128-F374 WeakPolarHBondContact OE1-CB 3.35Å; E128-F374 PolarHBondContact OE1-N 3.12Å; L173-F374 HydrophobicContact CD2-CE1 3.87Å; L173-F374 HydrophobicContact CD2-CZ 3.82Å; R176-F374 VanDerWaalsContact CD-CE2 3.47Å; F374-G376 PolarHBondContact O-N 2.77Å; F374-F377 PolarHBondContact O-N 3.21Å; F374-F378 HydrophobicContact CZ-CD2 4.05Å; F374-F378 VanDerWaalsContact O-CB 3.24Å; F374-F378 WeakPolarHBondContact O-CB 3.33Å; F374-F378 PolarHBondContact O-N 2.93Å; F374-V421 HydrophobicContact CE2-CG1 4.3Å; F374-V421 HydrophobicContact CZ-CG1 3.97Å; F374-Y424 HydrophobicContact CB-CD1 4.25Å; F374-Y424 HydrophobicContact CB-CE1 4.16Å; F374-Y424 AromaticContact CD2-CD1 3.62Å; F374-Y424 HydrophobicContact CD2-CD1 3.62Å; F374-Y424 HydrophobicContact CD2-CE1 4.25Å; F374-Y424 AromaticContact CD2-CG 3.81Å; F374-Y424 HydrophobicContact CD2-CG 3.81Å; F374-Y424 HydrophobicContact CE2-CG 4.35Å; F374-Y424 HydrophobicContact CG-CD1 4.39Å |
| 375 | A | 92.4 | Very high | 80.7 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.4 | -25 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R125 E128 T373 R379 | R125-A375 HydrophobicContact CG-CB 3.65Å; E128-A375 VanDerWaalsContact OE2-CB 3.24Å; E128-A375 WeakPolarHBondContact OE2-CB 3.5Å; T373-A375 VanDerWaalsContact C-N 3.3Å; T373-A375 PolarHBondContact O-N 3.25Å; A375-R379 PolarHBondContact O-N 3.32Å; A375-R379 PolarHBondContact O-NH1 3.04Å |
| 376 | G | 90.6 | Very high | 82.7 | Confident | 13 Ų | 13 | 46.5 Ų | 46.5 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.1 | -55 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | T373 F374 F378 R379 E380 | T373-G376 WeakPolarHBondContact O-CA 3.27Å; T373-G376 PolarHBondContact O-N 2.9Å; T373-G376 PolarHBondContact OG1-N 3.14Å; F374-G376 PolarHBondContact O-N 2.77Å; G376-F378 VanDerWaalsContact C-N 3.31Å; G376-F378 PolarHBondContact O-N 2.67Å; G376-R379 PolarHBondContact O-N 2.89Å; G376-E380 PolarHBondContact O-N 3.28Å |
| 377 | F | 91.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.5 | -44.5 | 176.2 | 171.6 | -95.4 | 0 | 0 | 0 | 111.6 | L359 I372 T373 F374 R379 E380 A381 A420 Y424 T431 | L359-F377 HydrophobicContact CD1-CD2 4.32Å; L359-F377 HydrophobicContact CD1-CE2 3.65Å; L359-F377 HydrophobicContact CD1-CZ 4.07Å; L359-F377 HydrophobicContact CD2-CE2 4.36Å; L359-F377 HydrophobicContact CD2-CZ 4.06Å; L359-F377 HydrophobicContact CG-CE2 3.84Å; L359-F377 HydrophobicContact CG-CZ 4.06Å; I372-F377 HydrophobicContact CD1-CB 4.24Å; I372-F377 HydrophobicContact CG1-CB 4.49Å; I372-F377 HydrophobicContact CG2-CB 4.25Å; T373-F377 PolarHBondContact O-N 2.97Å; F374-F377 PolarHBondContact O-N 3.21Å; F377-R379 VanDerWaalsContact C-N 3.3Å; F377-R379 PolarHBondContact O-N 2.96Å; F377-E380 WeakPolarHBondContact O-CB 3.44Å; F377-E380 PolarHBondContact O-N 3.03Å; F377-E380 VanDerWaalsContact O-N 3.11Å; F377-A381 HydrophobicContact CE1-CB 4.19Å; F377-A381 HydrophobicContact CZ-CB 4.3Å; F377-A381 WeakPolarHBondContact O-CB 3.48Å; F377-A381 PolarHBondContact O-N 3.5Å; F377-A420 WeakPolarHBondContact CE1-O 3.27Å; F377-A420 HydrophobicContact CZ-CB 4.45Å; F377-Y424 HydrophobicContact CB-CD2 4.04Å; F377-Y424 HydrophobicContact CB-CE2 3.48Å; F377-Y424 VanDerWaalsContact CB-CE2 3.48Å; F377-Y424 AromaticContact CD1-CD2 3.25Å; F377-Y424 HydrophobicContact CD1-CD2 3.25Å; F377-Y424 AromaticContact CD1-CE2 3.63Å; F377-Y424 HydrophobicContact CD1-CE2 3.63Å; F377-Y424 HydrophobicContact CD1-CG 4.11Å; F377-Y424 AromaticContact CD2-CD2 3.97Å; F377-Y424 HydrophobicContact CD2-CD2 3.97Å; F377-Y424 AromaticContact CD2-CE2 3.66Å; F377-Y424 HydrophobicContact CD2-CE2 3.66Å; F377-Y424 AromaticContact CE1-CD2 3.65Å; F377-Y424 HydrophobicContact CE1-CD2 3.65Å; F377-Y424 HydrophobicContact CE1-CE2 4.31Å; F377-Y424 HydrophobicContact CE2-CD2 4.31Å; F377-Y424 HydrophobicContact CE2-CE2 4.34Å; F377-Y424 AromaticContact CG-CD2 3.44Å; F377-Y424 HydrophobicContact CG-CD2 3.44Å; F377-Y424 VanDerWaalsContact CG-CD2 3.44Å; F377-Y424 AromaticContact CG-CE2 3.26Å; F377-Y424 HydrophobicContact CG-CE2 3.26Å; F377-Y424 HydrophobicContact CZ-CD2 4.17Å; F377-T431 HydrophobicContact CE1-CG2 4.22Å; F377-T431 HydrophobicContact CE2-CG2 3.66Å; F377-T431 VanDerWaalsContact CZ-CB 3.48Å; F377-T431 HydrophobicContact CZ-CG2 3.34Å |
| 378 | F | 94.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59 | -41.2 | -180 | -174.1 | -82.4 | 0 | 0 | 0 | 112.4 | L120 V121 A124 F169 L173 F374 G376 A381 L382 V421 | L120-F378 HydrophobicContact CB-CE1 3.83Å; L120-F378 HydrophobicContact CB-CZ 4.01Å; L120-F378 HydrophobicContact CD2-CZ 4.48Å; L120-F378 WeakPolarHBondContact O-CE1 3.41Å; V121-F378 HydrophobicContact CG2-CD1 4.42Å; A124-F378 HydrophobicContact CB-CB 3.8Å; A124-F378 HydrophobicContact CB-CD1 3.56Å; A124-F378 HydrophobicContact CB-CD2 3.68Å; A124-F378 HydrophobicContact CB-CE1 4Å; A124-F378 HydrophobicContact CB-CE2 4.09Å; A124-F378 HydrophobicContact CB-CG 3.38Å; A124-F378 HydrophobicContact CB-CZ 4.24Å; F169-F378 HydrophobicContact CB-CE2 4.39Å; F169-F378 HydrophobicContact CB-CZ 4.03Å; F169-F378 HydrophobicContact CD1-CD2 4.27Å; F169-F378 HydrophobicContact CD1-CE1 4.26Å; F169-F378 AromaticContact CD1-CE2 3.58Å; F169-F378 HydrophobicContact CD1-CE2 3.58Å; F169-F378 AromaticContact CD1-CZ 3.58Å; F169-F378 HydrophobicContact CD1-CZ 3.58Å; F169-F378 HydrophobicContact CE1-CE2 4.38Å; F169-F378 HydrophobicContact CE1-CZ 4.43Å; F169-F378 HydrophobicContact CG-CE2 4.44Å; F169-F378 HydrophobicContact CG-CZ 4.14Å; L173-F378 HydrophobicContact CD1-CE2 3.97Å; L173-F378 HydrophobicContact CD1-CZ 3.99Å; L173-F378 HydrophobicContact CD2-CD2 4.07Å; L173-F378 HydrophobicContact CD2-CE2 3.67Å; L173-F378 HydrophobicContact CD2-CZ 4.44Å; L173-F378 HydrophobicContact CG-CE2 3.73Å; L173-F378 HydrophobicContact CG-CZ 4.27Å; F374-F378 HydrophobicContact CZ-CD2 4.05Å; F374-F378 VanDerWaalsContact O-CB 3.24Å; F374-F378 WeakPolarHBondContact O-CB 3.33Å; F374-F378 PolarHBondContact O-N 2.93Å; G376-F378 VanDerWaalsContact C-N 3.31Å; G376-F378 PolarHBondContact O-N 2.67Å; F378-A381 PolarHBondContact O-N 3.43Å; F378-L382 WeakPolarHBondContact O-CB 3.42Å; F378-L382 PolarHBondContact O-N 3.33Å; F378-V421 HydrophobicContact CD2-CG1 3.94Å; F378-V421 HydrophobicContact CD2-CG2 4.12Å; F378-V421 HydrophobicContact CE2-CG1 3.86Å; F378-V421 HydrophobicContact CE2-CG2 4.12Å |
| 379 | R | 94 | Very high | 88.7 | Confident | 83 Ų | 83 | 29.8 Ų | 29.8 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.5 | -40.9 | 176.3 | -174.2 | -175.9 | -59.4 | 88.5 | 12.8 | 111.6 | A375 G376 F377 L382 Q383 | A375-R379 PolarHBondContact O-N 3.32Å; A375-R379 PolarHBondContact O-NH1 3.04Å; G376-R379 PolarHBondContact O-N 2.89Å; F377-R379 VanDerWaalsContact C-N 3.3Å; F377-R379 PolarHBondContact O-N 2.96Å; R379-L382 PolarHBondContact O-N 3.32Å; R379-Q383 WeakPolarHBondContact O-CG 3.31Å; R379-Q383 PolarHBondContact O-N 3.28Å; R379-Q383 VanDerWaalsContact O-N 3.12Å |
| 380 | E | 92.4 | Very high | 90.3 | Very high | 51 Ų | 51 | 30.6 Ų | 30.6 | 24% | 0.238 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65 | -44.4 | 176.4 | -179.6 | 55.5 | -149.8 | 0 | 0 | 111.3 | L359 A362 G376 F377 L382 Q383 H384 R480 | L359-E380 HydrophobicContact CD1-CB 4.49Å; L359-E380 HydrophobicContact CD1-CG 3.98Å; A362-E380 HydrophobicContact CB-CG 3.59Å; G376-E380 PolarHBondContact O-N 3.28Å; F377-E380 WeakPolarHBondContact O-CB 3.44Å; F377-E380 PolarHBondContact O-N 3.03Å; F377-E380 VanDerWaalsContact O-N 3.11Å; E380-L382 VanDerWaalsContact C-N 3.33Å; E380-L382 PolarHBondContact O-N 3.4Å; E380-Q383 PolarHBondContact O-N 3.43Å; E380-H384 VanDerWaalsContact O-CB 3.31Å; E380-H384 WeakPolarHBondContact O-CB 3.31Å; E380-H384 PolarHBondContact O-N 3.29Å; E380-R480 IonicContact OE1-CZ 3.22Å; E380-R480 IonicContact OE1-NH2 3.47Å; E380-R480 PolarHBondContact OE1-NH2 3.49Å; E380-R480 IonicContact OE2-NH2 3.91Å; E380-R480 PolarHBondContact OE2-NH2 2.94Å |
| 381 | A | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.2 | -43.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F169 L359 F377 F378 Q383 H384 F385 | F169-A381 HydrophobicContact CE1-CB 3.95Å; F169-A381 HydrophobicContact CZ-CB 4.24Å; L359-A381 HydrophobicContact CD1-CB 3.89Å; L359-A381 HydrophobicContact CD2-CB 3.95Å; F377-A381 HydrophobicContact CE1-CB 4.19Å; F377-A381 HydrophobicContact CZ-CB 4.3Å; F377-A381 WeakPolarHBondContact O-CB 3.48Å; F377-A381 PolarHBondContact O-N 3.5Å; F378-A381 PolarHBondContact O-N 3.43Å; A381-Q383 VanDerWaalsContact C-N 3.34Å; A381-Q383 PolarHBondContact O-N 2.77Å; A381-H384 PolarHBondContact O-N 2.75Å; A381-F385 HydrophobicContact CB-CD2 4.26Å; A381-F385 HydrophobicContact CB-CE2 4.35Å; A381-F385 WeakPolarHBondContact O-CB 3.31Å; A381-F385 VanDerWaalsContact O-CD2 3.27Å; A381-F385 WeakPolarHBondContact O-CD2 3.33Å; A381-F385 PolarHBondContact O-N 3.2Å |
| 382 | L | 94.9 | Very high | 92.6 | Very high | 19 Ų | 19 | 23 Ų | 23 | 10% | 0.099 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 177.3 | -173.3 | 65.9 | 0 | 0 | 0 | 111.9 | L120 V121 F169 F378 R379 E380 G386 | L120-L382 HydrophobicContact CD1-CD1 4.08Å; V121-L382 HydrophobicContact CG2-CD2 4.35Å; F169-L382 HydrophobicContact CD2-CD1 3.89Å; F169-L382 HydrophobicContact CE1-CB 4.45Å; F169-L382 HydrophobicContact CE2-CD1 3.7Å; F169-L382 HydrophobicContact CG-CD1 4.44Å; F169-L382 VanDerWaalsContact CZ-CA 3.48Å; F169-L382 HydrophobicContact CZ-CB 4.2Å; F169-L382 HydrophobicContact CZ-CD1 4.08Å; F378-L382 WeakPolarHBondContact O-CB 3.42Å; F378-L382 PolarHBondContact O-N 3.33Å; R379-L382 PolarHBondContact O-N 3.32Å; E380-L382 VanDerWaalsContact C-N 3.33Å; E380-L382 PolarHBondContact O-N 3.4Å; L382-G386 PolarHBondContact O-N 2.9Å |
| 383 | Q | 93.5 | Very high | 93 | Very high | 65 Ų | 65 | 22.6 Ų | 22.6 | 30% | 0.304 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -68.8 | -43.2 | 176.5 | -68.5 | 177.4 | 6.7 | 0 | 0 | 112.2 | L102 R379 E380 A381 A387 R480 | L102-Q383 HydrophobicContact CD1-CG 4.46Å; R379-Q383 WeakPolarHBondContact O-CG 3.31Å; R379-Q383 PolarHBondContact O-N 3.28Å; R379-Q383 VanDerWaalsContact O-N 3.12Å; E380-Q383 PolarHBondContact O-N 3.43Å; A381-Q383 VanDerWaalsContact C-N 3.34Å; A381-Q383 PolarHBondContact O-N 2.77Å; Q383-A387 WeakPolarHBondContact O-CB 3.43Å; Q383-A387 PolarHBondContact O-N 3.35Å; Q383-R480 VanDerWaalsContact OE1-NH2 3.15Å |
| 384 | H | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.4 | -57.1 | 179.1 | 177.5 | 84.5 | 0 | 0 | 0 | 111.6 | E357 L359 E380 A381 G386 A387 V388 L482 | E357-H384 IonicContact OE1-CD2 3.18Å; E357-H384 IonicContact OE1-CE1 2.71Å; E357-H384 IonicContact OE1-NE2 3.22Å; E357-H384 PolarHBondContact OE1-NE2 2.87Å; L359-H384 HydrophobicContact CB-CB 4.4Å; L359-H384 HydrophobicContact CD1-CB 4.34Å; E380-H384 VanDerWaalsContact O-CB 3.31Å; E380-H384 WeakPolarHBondContact O-CB 3.31Å; E380-H384 PolarHBondContact O-N 3.29Å; A381-H384 PolarHBondContact O-N 2.75Å; H384-G386 VanDerWaalsContact C-N 3.3Å; H384-G386 PolarHBondContact O-N 3.17Å; H384-A387 WeakPolarHBondContact O-CB 3.46Å; H384-A387 PolarHBondContact O-N 3.46Å; H384-A387 VanDerWaalsContact O-N 3.09Å; H384-V388 WeakPolarHBondContact O-CG2 2.94Å; H384-V388 PolarHBondContact O-N 3.33Å; H384-L482 PolarHBondContact CE1-O 3.4Å |
| 385 | F | 95.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.9 | -27.8 | -178.9 | -68.7 | -59.6 | 0 | 0 | 0 | 112.9 | L165 F169 I330 L359 A381 V388 L389 L413 T416 I417 A420 | L165-F385 HydrophobicContact CD1-CB 4.04Å; F169-F385 HydrophobicContact CE2-CB 4.36Å; F169-F385 HydrophobicContact CZ-CB 4.32Å; F169-F385 AromaticContact CZ-CD2 3.86Å; F169-F385 HydrophobicContact CZ-CD2 3.86Å; I330-F385 HydrophobicContact CD1-CZ 4.25Å; L359-F385 HydrophobicContact CD2-CD2 4.19Å; L359-F385 HydrophobicContact CD2-CE2 3.4Å; L359-F385 HydrophobicContact CD2-CZ 3.67Å; A381-F385 HydrophobicContact CB-CD2 4.26Å; A381-F385 HydrophobicContact CB-CE2 4.35Å; A381-F385 WeakPolarHBondContact O-CB 3.31Å; A381-F385 VanDerWaalsContact O-CD2 3.27Å; A381-F385 WeakPolarHBondContact O-CD2 3.33Å; A381-F385 PolarHBondContact O-N 3.2Å; F385-V388 PolarHBondContact O-N 2.95Å; F385-L389 WeakPolarHBondContact O-CB 3.23Å; F385-L389 PolarHBondContact O-N 3.37Å; F385-L413 HydrophobicContact CD1-CD1 3.52Å; F385-L413 HydrophobicContact CE1-CD1 4.04Å; F385-L413 HydrophobicContact CG-CD1 4.4Å; F385-T416 HydrophobicContact CE1-CG2 4Å; F385-T416 HydrophobicContact CZ-CG2 3.93Å; F385-I417 HydrophobicContact CB-CD1 4.17Å; F385-I417 HydrophobicContact CB-CG1 4.08Å; F385-I417 HydrophobicContact CD1-CG1 3.89Å; F385-I417 HydrophobicContact CD2-CB 4.47Å; F385-I417 HydrophobicContact CD2-CG1 3.55Å; F385-I417 HydrophobicContact CE1-CG1 4.15Å; F385-I417 HydrophobicContact CE2-CB 4.45Å; F385-I417 HydrophobicContact CE2-CG1 3.81Å; F385-I417 HydrophobicContact CG-CD1 4.17Å; F385-I417 HydrophobicContact CG-CG1 3.57Å; F385-I417 HydrophobicContact CZ-CG1 4.11Å; F385-A420 HydrophobicContact CE2-CB 4.12Å; F385-A420 HydrophobicContact CZ-CB 4.33Å |
| 386 | G | 94.3 | Very high | 92.7 | Very high | 17 Ų | 17 | 20.8 Ų | 20.8 | 18% | 0.175 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L382 H384 E390 | L382-G386 PolarHBondContact O-N 2.9Å; H384-G386 VanDerWaalsContact C-N 3.3Å; H384-G386 PolarHBondContact O-N 3.17Å; G386-E390 WeakPolarHBondContact O-CB 3.44Å; G386-E390 PolarHBondContact O-N 3.16Å |
| 387 | A | 95.5 | Very high | 92.2 | Very high | 11 Ų | 11 | 28.9 Ų | 28.9 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.6 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q383 H384 E390 S391 L482 | Q383-A387 WeakPolarHBondContact O-CB 3.43Å; Q383-A387 PolarHBondContact O-N 3.35Å; H384-A387 WeakPolarHBondContact O-CB 3.46Å; H384-A387 PolarHBondContact O-N 3.46Å; H384-A387 VanDerWaalsContact O-N 3.09Å; A387-E390 PolarHBondContact O-N 3.38Å; A387-S391 VanDerWaalsContact O-CB 3.29Å; A387-S391 WeakPolarHBondContact O-CB 3.27Å; A387-S391 PolarHBondContact O-N 2.94Å; A387-S391 PolarHBondContact O-OG 2.95Å; A387-L482 HydrophobicContact CB-CD2 3.84Å |
| 388 | V | 95.6 | Very high | 91.1 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 8% | 0.079 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.9 | -52 | 172.8 | 173 | 0 | 0 | 0 | 0 | 109.9 | F208 H384 F385 E390 S391 L392 L413 L482 | F208-V388 HydrophobicContact CZ-CG1 4.47Å; H384-V388 WeakPolarHBondContact O-CG2 2.94Å; H384-V388 PolarHBondContact O-N 3.33Å; F385-V388 PolarHBondContact O-N 2.95Å; V388-E390 PolarHBondContact O-N 3.06Å; V388-S391 WeakPolarHBondContact O-CB 3.3Å; V388-S391 PolarHBondContact O-N 3.39Å; V388-S391 VanDerWaalsContact O-N 3.15Å; V388-S391 PolarHBondContact O-OG 3.01Å; V388-L392 HydrophobicContact CG1-CD1 3.97Å; V388-L392 HydrophobicContact CG1-CG 4.32Å; V388-L392 WeakPolarHBondContact O-CG 3.46Å; V388-L392 PolarHBondContact O-N 3.07Å; V388-L413 HydrophobicContact CG1-CD1 4.02Å; V388-L482 HydrophobicContact CG2-CD1 4.23Å; V388-L482 HydrophobicContact CG2-CD2 4.16Å |
| 389 | L | 93.1 | Very high | 89.5 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 179.9 | -177.9 | 62 | 0 | 0 | 0 | 112.4 | A161 L165 F385 S391 L392 A393 E409 L413 | A161-L389 HydrophobicContact CB-CD1 4.29Å; A161-L389 HydrophobicContact CB-CD2 3.93Å; A161-L389 HydrophobicContact CB-CG 4.38Å; L165-L389 HydrophobicContact CB-CD2 4.06Å; L165-L389 HydrophobicContact CD1-CD2 4.41Å; L165-L389 HydrophobicContact CD2-CD2 4.19Å; L165-L389 HydrophobicContact CG-CD2 4.46Å; F385-L389 WeakPolarHBondContact O-CB 3.23Å; F385-L389 PolarHBondContact O-N 3.37Å; L389-S391 VanDerWaalsContact C-N 3.33Å; L389-S391 PolarHBondContact O-N 3.08Å; L389-L392 PolarHBondContact O-N 2.87Å; L389-A393 WeakPolarHBondContact O-CB 3.4Å; L389-A393 PolarHBondContact O-N 3.05Å; L389-E409 HydrophobicContact CD1-CG 4.32Å; L389-L413 HydrophobicContact CB-CD2 4.18Å; L389-L413 HydrophobicContact CD1-CD2 4.08Å |
| 390 | E | 92.4 | Very high | 88.3 | Confident | 70 Ų | 70 | 37 Ų | 37 | 33% | 0.327 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.3 | -41.2 | 176.3 | -166.5 | -171.5 | -168.2 | 0 | 0 | 111.8 | G386 A387 V388 A393 S394 W477 K478 | G386-E390 WeakPolarHBondContact O-CB 3.44Å; G386-E390 PolarHBondContact O-N 3.16Å; A387-E390 PolarHBondContact O-N 3.38Å; V388-E390 PolarHBondContact O-N 3.06Å; E390-A393 PolarHBondContact O-N 2.99Å; E390-S394 PolarHBondContact O-N 3.01Å; E390-W477 HydrophobicContact CB-CZ2 4.47Å; E390-W477 HydrophobicContact CG-CZ2 3.9Å; E390-W477 PolarHBondContact OE2-NE1 3Å; E390-K478 VanDerWaalsContact CD-NZ 3.32Å; E390-K478 IonicContact OE1-NZ 2.59Å; E390-K478 PolarHBondContact OE1-NZ 3.49Å; E390-K478 IonicContact OE2-NZ 3.38Å; E390-K478 PolarHBondContact OE2-NZ 3.37Å |
| 391 | S | 94.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64 | -43.2 | 178.1 | 81.6 | 0 | 0 | 0 | 0 | 111.9 | F208 A387 V388 L389 S394 C395 F464 W477 | F208-S391 WeakPolarHBondContact CZ-OG 3.36Å; A387-S391 VanDerWaalsContact O-CB 3.29Å; A387-S391 WeakPolarHBondContact O-CB 3.27Å; A387-S391 PolarHBondContact O-N 2.94Å; A387-S391 PolarHBondContact O-OG 2.95Å; V388-S391 WeakPolarHBondContact O-CB 3.3Å; V388-S391 PolarHBondContact O-N 3.39Å; V388-S391 VanDerWaalsContact O-N 3.15Å; V388-S391 PolarHBondContact O-OG 3.01Å; L389-S391 VanDerWaalsContact C-N 3.33Å; L389-S391 PolarHBondContact O-N 3.08Å; S391-S394 WeakPolarHBondContact O-CB 3.14Å; S391-S394 PolarHBondContact O-N 3.23Å; S391-C395 PolarHBondContact O-N 3.3Å; S391-C395 VanDerWaalsContact O-N 3.1Å; S391-F464 VanDerWaalsContact CB-CZ 3.48Å; S391-W477 VanDerWaalsContact CB-CD2 3.43Å; S391-W477 VanDerWaalsContact CB-CE3 3.43Å |
| 392 | L | 92.6 | Very high | 87.1 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -51.4 | 174.2 | -65.9 | 176.4 | 0 | 0 | 0 | 109.5 | L202 F208 V388 L389 S394 C395 F396 L405 V408 | L202-L392 HydrophobicContact CD1-CD2 3.38Å; F208-L392 HydrophobicContact CD2-CD2 4.27Å; F208-L392 HydrophobicContact CE2-CD2 3.77Å; F208-L392 HydrophobicContact CE2-CG 4.43Å; V388-L392 HydrophobicContact CG1-CD1 3.97Å; V388-L392 HydrophobicContact CG1-CG 4.32Å; V388-L392 WeakPolarHBondContact O-CG 3.46Å; V388-L392 PolarHBondContact O-N 3.07Å; L389-L392 PolarHBondContact O-N 2.87Å; L392-S394 CarbonylContact O-C 3.52Å; L392-S394 PolarHBondContact O-N 2.76Å; L392-C395 CarbonylContact O-C 3.58Å; L392-C395 WeakPolarHBondContact O-CA 3.45Å; L392-C395 VanDerWaalsContact O-CB 3.31Å; L392-C395 WeakPolarHBondContact O-CB 3.44Å; L392-C395 PolarHBondContact O-N 3.33Å; L392-F396 HydrophobicContact CB-CD2 4.05Å; L392-F396 HydrophobicContact CB-CE2 3.9Å; L392-F396 HydrophobicContact CD2-CE2 3.91Å; L392-F396 HydrophobicContact CG-CE2 4.42Å; L392-F396 WeakPolarHBondContact O-CD2 3.45Å; L392-F396 PolarHBondContact O-N 3.21Å; L392-L405 HydrophobicContact CB-CD1 3.85Å; L392-V408 HydrophobicContact CD1-CG1 4.1Å |
| 393 | A | 90 | Very high | 86.6 | Confident | 30 Ų | 30 | 36.2 Ų | 36.2 | 25% | 0.248 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.8 | -28.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L389 E390 R397 L405 | L389-A393 WeakPolarHBondContact O-CB 3.4Å; L389-A393 PolarHBondContact O-N 3.05Å; E390-A393 PolarHBondContact O-N 2.99Å; A393-R397 PolarHBondContact O-N 3.23Å; A393-L405 HydrophobicContact CB-CD2 4.18Å |
| 394 | S | 90.5 | Very high | 86.4 | Confident | 18 Ų | 18 | 33.1 Ų | 33.1 | 13% | 0.126 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.2 | -42.7 | 170.7 | -162.9 | 0 | 0 | 0 | 0 | 113.3 | E390 S391 L392 R397 S462 W477 | E390-S394 PolarHBondContact O-N 3.01Å; S391-S394 WeakPolarHBondContact O-CB 3.14Å; S391-S394 PolarHBondContact O-N 3.23Å; L392-S394 CarbonylContact O-C 3.52Å; L392-S394 PolarHBondContact O-N 2.76Å; S394-R397 WeakPolarHBondContact O-CB 3.28Å; S394-R397 PolarHBondContact O-N 2.97Å; S394-S462 PolarHBondContact OG-OG 3.37Å; S394-W477 VanDerWaalsContact CB-CH2 3.41Å |
| 395 | C | 89.7 | Confident | 86.1 | Confident | 26 Ų | 26 | 34 Ų | 34 | 18% | 0.176 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63 | -37.6 | 175.2 | -73.4 | 0 | 0 | 0 | 0 | 113.3 | L205 S391 L392 | L205-C395 VanDerWaalsContact O-CB 3.25Å; L205-C395 WeakPolarHBondContact O-CB 3Å; S391-C395 PolarHBondContact O-N 3.3Å; S391-C395 VanDerWaalsContact O-N 3.1Å; L392-C395 CarbonylContact O-C 3.58Å; L392-C395 WeakPolarHBondContact O-CA 3.45Å; L392-C395 VanDerWaalsContact O-CB 3.31Å; L392-C395 WeakPolarHBondContact O-CB 3.44Å; L392-C395 PolarHBondContact O-N 3.33Å |
| 396 | F | 85.5 | Confident | 85.8 | Confident | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 12.5 | -178.1 | -60.6 | -84.6 | 0 | 0 | 0 | 113.5 | I201 L205 L392 D398 C404 L405 V408 | I201-F396 HydrophobicContact CG2-CE1 3.53Å; I201-F396 HydrophobicContact CG2-CZ 3.97Å; L205-F396 HydrophobicContact CB-CD1 4.28Å; L205-F396 HydrophobicContact CB-CE1 3.71Å; L205-F396 HydrophobicContact CB-CZ 3.99Å; L205-F396 HydrophobicContact CD1-CD1 3.8Å; L205-F396 HydrophobicContact CD1-CE1 3.54Å; L205-F396 HydrophobicContact CG-CE1 4.12Å; L392-F396 HydrophobicContact CB-CD2 4.05Å; L392-F396 HydrophobicContact CB-CE2 3.9Å; L392-F396 HydrophobicContact CD2-CE2 3.91Å; L392-F396 HydrophobicContact CG-CE2 4.42Å; L392-F396 WeakPolarHBondContact O-CD2 3.45Å; L392-F396 PolarHBondContact O-N 3.21Å; F396-D398 VanDerWaalsContact C-N 3.34Å; F396-D398 PolarHBondContact O-N 3.32Å; F396-C404 HydrophobicContact CD1-CB 3.89Å; F396-C404 HydrophobicContact CE1-CB 3.91Å; F396-L405 HydrophobicContact CB-CB 3.97Å; F396-L405 HydrophobicContact CD1-CB 4.48Å; F396-L405 HydrophobicContact CD2-CB 4.04Å; F396-L405 HydrophobicContact CD2-CD1 3.81Å; F396-L405 HydrophobicContact CD2-CG 4.45Å; F396-L405 HydrophobicContact CE2-CD1 4.27Å; F396-L405 HydrophobicContact CG-CB 3.94Å; F396-V408 HydrophobicContact CZ-CG2 4.16Å |
| 397 | R | 78.9 | Confident | 85.5 | Confident | 182 Ų | 182 | 33.2 Ų | 33.2 | 69% | 0.687 | 20% | 0.198 | S | C | * | . | trans | -66.5 | -35.1 | -174.3 | -174.6 | -178.9 | -62.7 | -102.3 | -3.1 | 112.8 | A393 S394 | A393-R397 PolarHBondContact O-N 3.23Å; S394-R397 WeakPolarHBondContact O-CB 3.28Å; S394-R397 PolarHBondContact O-N 2.97Å | ||
| 398 | D | 68.3 | Low | 85.3 | Confident | 116 Ų | 116 | 32.8 Ų | 32.8 | 62% | 0.62 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -80.7 | 154.1 | -172.7 | -64.7 | -28.2 | 0 | 0 | 0 | 112.2 | F396 G400 Y401 | F396-D398 VanDerWaalsContact C-N 3.34Å; F396-D398 PolarHBondContact O-N 3.32Å; D398-G400 VanDerWaalsContact C-N 3.26Å; D398-G400 PolarHBondContact O-N 2.76Å; D398-Y401 WeakPolarHBondContact O-CD2 3.23Å; D398-Y401 WeakPolarHBondContact O-CE2 3.47Å; D398-Y401 PolarHBondContact O-N 3.28Å |
| 399 | A | 61.2 | Low | 85.1 | Confident | 83 Ų | 83 | 32.2 Ų | 32.2 | 69% | 0.686 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 21.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | Y401 | A399-Y401 HydrophobicContact CB-CE2 3.84Š|
| 400 | G | 67.8 | Low | 84.8 | Confident | 56 Ų | 56 | 34.7 Ų | 34.7 | 58% | 0.577 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87 | 23 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115 | D398 G402 | D398-G400 VanDerWaalsContact C-N 3.26Å; D398-G400 PolarHBondContact O-N 2.76Å; G400-G402 PolarHBondContact O-N 3.05Å |
| 401 | Y | 79 | Confident | 84.7 | Confident | 29 Ų | 29 | 33.3 Ų | 33.3 | 11% | 0.114 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 21.6 | 173.9 | -54.8 | -58.9 | 0 | 0 | 0 | 114.7 | M61 L65 D398 A399 A403 C404 L405 | M61-Y401 HydrophobicContact CB-CE1 4.07Å; M61-Y401 VanDerWaalsContact CB-OH 3.27Å; M61-Y401 WeakPolarHBondContact CB-OH 3.29Å; M61-Y401 HydrophobicContact CE-CD1 3.94Å; M61-Y401 HydrophobicContact CE-CD2 3.94Å; M61-Y401 HydrophobicContact CE-CE1 3.37Å; M61-Y401 HydrophobicContact CE-CE2 3.37Å; M61-Y401 HydrophobicContact CE-CG 4.23Å; M61-Y401 WeakPolarHBondContact CE-OH 3.3Å; L65-Y401 HydrophobicContact CB-CD1 4.28Å; L65-Y401 HydrophobicContact CB-CE1 4.31Å; L65-Y401 HydrophobicContact CD1-CD1 4.27Å; L65-Y401 HydrophobicContact CD2-CD1 4.49Å; L65-Y401 HydrophobicContact CD2-CE1 4.44Å; D398-Y401 WeakPolarHBondContact O-CD2 3.23Å; D398-Y401 WeakPolarHBondContact O-CE2 3.47Å; D398-Y401 PolarHBondContact O-N 3.28Å; A399-Y401 HydrophobicContact CB-CE2 3.84Å; Y401-A403 PolarHBondContact O-N 3.41Å; Y401-C404 WeakPolarHBondContact O-CB 3.39Å; Y401-C404 PolarHBondContact O-N 3.49Å; Y401-L405 PolarHBondContact O-N 3.38Å |
| 402 | G | 82.8 | Confident | 84.4 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 19% | 0.186 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.1 | -35.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y153 G400 L405 G406 | Y153-G402 VanDerWaalsContact CD1-O 3.31Å; Y153-G402 WeakPolarHBondContact CD1-O 2.93Å; G400-G402 PolarHBondContact O-N 3.05Å; G402-L405 PolarHBondContact O-N 3.04Å; G402-G406 PolarHBondContact O-N 2.98Å |
| 403 | A | 84.2 | Confident | 84.3 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.7 | -39.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L65 A68 N69 L72 Y401 G406 L407 | L65-A403 HydrophobicContact CD1-CB 4.1Å; A68-A403 HydrophobicContact CB-CB 4.35Å; N69-A403 WeakPolarHBondContact OD1-CB 2.87Å; L72-A403 HydrophobicContact CD1-CB 3.93Å; L72-A403 WeakPolarHBondContact CD1-O 3.42Å; Y401-A403 PolarHBondContact O-N 3.41Å; A403-G406 PolarHBondContact O-N 3.4Å; A403-L407 PolarHBondContact O-N 3.31Å |
| 404 | C | 88.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 175.3 | -60.6 | 0 | 0 | 0 | 0 | 111 | I201 F396 Y401 G406 L407 V408 | I201-C404 HydrophobicContact CD1-CB 4.37Å; I201-C404 HydrophobicContact CG2-CB 3.78Å; F396-C404 HydrophobicContact CD1-CB 3.89Å; F396-C404 HydrophobicContact CE1-CB 3.91Å; Y401-C404 WeakPolarHBondContact O-CB 3.39Å; Y401-C404 PolarHBondContact O-N 3.49Å; C404-G406 VanDerWaalsContact C-N 3.3Å; C404-G406 PolarHBondContact O-N 3.31Å; C404-L407 PolarHBondContact O-N 3.16Å; C404-V408 WeakPolarHBondContact O-CG2 3.25Å; C404-V408 PolarHBondContact O-N 2.76Å |
| 405 | L | 89.3 | Confident | 84.4 | Confident | 19 Ų | 19 | 33.9 Ų | 33.9 | 10% | 0.099 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.8 | -44.7 | 174 | 175.8 | 61.1 | 0 | 0 | 0 | 111.1 | L392 A393 F396 Y401 G402 L407 V408 E409 | L392-L405 HydrophobicContact CB-CD1 3.85Å; A393-L405 HydrophobicContact CB-CD2 4.18Å; F396-L405 HydrophobicContact CB-CB 3.97Å; F396-L405 HydrophobicContact CD1-CB 4.48Å; F396-L405 HydrophobicContact CD2-CB 4.04Å; F396-L405 HydrophobicContact CD2-CD1 3.81Å; F396-L405 HydrophobicContact CD2-CG 4.45Å; F396-L405 HydrophobicContact CE2-CD1 4.27Å; F396-L405 HydrophobicContact CG-CB 3.94Å; Y401-L405 PolarHBondContact O-N 3.38Å; G402-L405 PolarHBondContact O-N 3.04Å; L405-L407 VanDerWaalsContact C-N 3.35Å; L405-L407 PolarHBondContact O-N 2.87Å; L405-V408 PolarHBondContact O-N 3.4Å; L405-E409 VanDerWaalsContact O-CB 3.31Å; L405-E409 WeakPolarHBondContact O-CB 3.26Å; L405-E409 PolarHBondContact O-N 3.02Å |
| 406 | G | 87.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -38 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y153 G402 A403 C404 R410 | Y153-G406 VanDerWaalsContact CE1-CA 3.48Å; G402-G406 PolarHBondContact O-N 2.98Å; A403-G406 PolarHBondContact O-N 3.4Å; C404-G406 VanDerWaalsContact C-N 3.3Å; C404-G406 PolarHBondContact O-N 3.31Å; G406-R410 VanDerWaalsContact O-CB 3.23Å; G406-R410 WeakPolarHBondContact O-CB 3.42Å; G406-R410 PolarHBondContact O-N 2.8Å |
| 407 | L | 88.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.4 | -44.9 | 174.1 | -170.8 | 70 | 0 | 0 | 0 | 111.5 | A68 L71 L72 A197 A198 I201 A403 C404 L405 E409 R410 E411 | A68-L407 HydrophobicContact CB-CB 4.5Å; A68-L407 HydrophobicContact CB-CD2 4.23Å; L71-L407 HydrophobicContact CB-CD1 4.15Å; L71-L407 HydrophobicContact CB-CD2 4.41Å; L71-L407 HydrophobicContact CD1-CD2 3.9Å; L72-L407 HydrophobicContact CD2-CB 4.45Å; L72-L407 HydrophobicContact CD2-CD1 4.18Å; L72-L407 HydrophobicContact CG-CD1 4.49Å; A197-L407 HydrophobicContact CB-CD2 4.07Å; A198-L407 HydrophobicContact CB-CG 4.29Å; I201-L407 HydrophobicContact CD1-CD2 4.01Å; A403-L407 PolarHBondContact O-N 3.31Å; C404-L407 PolarHBondContact O-N 3.16Å; L405-L407 VanDerWaalsContact C-N 3.35Å; L405-L407 PolarHBondContact O-N 2.87Å; L407-E409 PolarHBondContact O-N 2.82Å; L407-R410 PolarHBondContact O-N 3.45Å; L407-E411 HydrophobicContact CD1-CG 3.54Å; L407-E411 HydrophobicContact CG-CG 4.05Å; L407-E411 VanDerWaalsContact O-CB 3.3Å; L407-E411 WeakPolarHBondContact O-CB 3.33Å; L407-E411 VanDerWaalsContact O-CG 3.27Å; L407-E411 WeakPolarHBondContact O-CG 3.45Å; L407-E411 PolarHBondContact O-N 3.47Å |
| 408 | V | 91.4 | Very high | 85.3 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 176.4 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | A198 I201 L202 L392 F396 C404 L405 A412 L413 | A198-V408 HydrophobicContact CB-CG2 4.47Å; I201-V408 HydrophobicContact CB-CG2 4.1Å; I201-V408 HydrophobicContact CG2-CG2 3.61Å; L202-V408 HydrophobicContact CB-CG1 4.4Å; L202-V408 HydrophobicContact CB-CG2 4.39Å; L202-V408 HydrophobicContact CD1-CG1 4.17Å; L392-V408 HydrophobicContact CD1-CG1 4.1Å; F396-V408 HydrophobicContact CZ-CG2 4.16Å; C404-V408 WeakPolarHBondContact O-CG2 3.25Å; C404-V408 PolarHBondContact O-N 2.76Å; L405-V408 PolarHBondContact O-N 3.4Å; V408-A412 WeakPolarHBondContact O-CA 3.27Å; V408-A412 VanDerWaalsContact O-CB 3.31Å; V408-A412 WeakPolarHBondContact O-CB 3.49Å; V408-A412 PolarHBondContact O-N 2.85Å; V408-L413 PolarHBondContact O-N 2.81Å |
| 409 | E | 90.6 | Very high | 86.1 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -61.1 | -48.6 | 178.1 | -167.2 | -162.4 | 80.3 | 0 | 0 | 110.7 | Y153 H164 Y168 L389 L405 L407 L413 G414 | Y153-E409 PolarHBondContact OH-OE1 3.25Å; Y153-E409 PolarHBondContact OH-OE2 3.13Å; H164-E409 WeakPolarHBondContact CB-OE1 3.16Å; H164-E409 IonicContact CG-OE1 2.74Å; H164-E409 IonicContact ND1-OE1 3.65Å; H164-E409 PolarHBondContact ND1-OE1 3.45Å; H164-E409 IonicContact ND1-OE2 2.67Å; Y168-E409 HydrophobicContact CE2-CG 3.99Å; L389-E409 HydrophobicContact CD1-CG 4.32Å; L405-E409 VanDerWaalsContact O-CB 3.31Å; L405-E409 WeakPolarHBondContact O-CB 3.26Å; L405-E409 PolarHBondContact O-N 3.02Å; L407-E409 PolarHBondContact O-N 2.82Å; E409-L413 HydrophobicContact CG-CD2 4.32Å; E409-L413 PolarHBondContact O-N 3.31Å; E409-G414 PolarHBondContact O-N 3.24Å |
| 410 | R | 88.6 | Confident | 87.4 | Confident | 62 Ų | 62 | 19.4 Ų | 19.4 | 23% | 0.234 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -71.7 | -41.4 | -174.9 | -169.7 | 178.7 | 74.6 | -169.8 | -4.4 | 113.6 | D75 Y168 G406 L407 P415 | D75-R410 IonicContact OD2-CZ 2.91Å; D75-R410 IonicContact OD2-NH1 2.62Å; D75-R410 PolarHBondContact OD2-NH1 2.94Å; Y168-R410 WeakPolarHBondContact OH-CA 3.28Å; G406-R410 VanDerWaalsContact O-CB 3.23Å; G406-R410 WeakPolarHBondContact O-CB 3.42Å; G406-R410 PolarHBondContact O-N 2.8Å; L407-R410 PolarHBondContact O-N 3.45Å; R410-P415 VanDerWaalsContact O-CD 3.27Å; R410-P415 WeakPolarHBondContact O-CD 3.33Å |
| 411 | E | 89 | Confident | 88.5 | Confident | 40 Ų | 40 | 16.8 Ų | 16.8 | 19% | 0.187 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -97 | -25.8 | -170.1 | -52.9 | -66.1 | 153.3 | 0 | 0 | 112.8 | K194 A198 L407 | K194-E411 HydrophobicContact CB-CG 3.9Å; K194-E411 WeakPolarHBondContact CB-OE2 3.29Å; K194-E411 WeakPolarHBondContact CD-OE1 3.43Å; A198-E411 HydrophobicContact CB-CB 3.83Å; L407-E411 HydrophobicContact CD1-CG 3.54Å; L407-E411 HydrophobicContact CG-CG 4.05Å; L407-E411 VanDerWaalsContact O-CB 3.3Å; L407-E411 WeakPolarHBondContact O-CB 3.33Å; L407-E411 VanDerWaalsContact O-CG 3.27Å; L407-E411 WeakPolarHBondContact O-CG 3.45Å; L407-E411 PolarHBondContact O-N 3.47Å |
| 412 | A | 89.4 | Confident | 88.9 | Confident | 13 Ų | 13 | 15.7 Ų | 15.7 | 11% | 0.107 | 9% | 0.088 | C | C | . | . | I | π-helix | trans | -111.3 | -59.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V408 T416 | V408-A412 WeakPolarHBondContact O-CA 3.27Å; V408-A412 VanDerWaalsContact O-CB 3.31Å; V408-A412 WeakPolarHBondContact O-CB 3.49Å; V408-A412 PolarHBondContact O-N 2.85Å; A412-T416 WeakPolarHBondContact O-CB 3.48Å; A412-T416 PolarHBondContact O-N 2.88Å; A412-T416 PolarHBondContact O-OG1 3.06Å |
| 413 | L | 91 | Very high | 88.7 | Confident | 14 Ų | 14 | 15.8 Ų | 15.8 | 7% | 0.073 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -68.9 | -46.2 | -171.6 | -173.8 | 59.9 | 0 | 0 | 0 | 112.6 | F385 V388 L389 V408 E409 T416 I417 | F385-L413 HydrophobicContact CD1-CD1 3.52Å; F385-L413 HydrophobicContact CE1-CD1 4.04Å; F385-L413 HydrophobicContact CG-CD1 4.4Å; V388-L413 HydrophobicContact CG1-CD1 4.02Å; L389-L413 HydrophobicContact CB-CD2 4.18Å; L389-L413 HydrophobicContact CD1-CD2 4.08Å; V408-L413 PolarHBondContact O-N 2.81Å; E409-L413 HydrophobicContact CG-CD2 4.32Å; E409-L413 PolarHBondContact O-N 3.31Å; L413-T416 PolarHBondContact O-N 3.48Å; L413-I417 HydrophobicContact CD1-CD1 4.1Å; L413-I417 HydrophobicContact CD1-CG1 4.39Å; L413-I417 HydrophobicContact CD2-CD1 4.48Å; L413-I417 HydrophobicContact CG-CD1 3.75Å; L413-I417 HydrophobicContact CG-CG1 4.49Å; L413-I417 WeakPolarHBondContact O-CD1 3.43Å; L413-I417 VanDerWaalsContact O-CG1 3.31Å; L413-I417 WeakPolarHBondContact O-CG1 3.45Å; L413-I417 PolarHBondContact O-N 2.91Å |
| 414 | G | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.4 | -53.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y168 E409 T416 I417 Q418 | Y168-G414 VanDerWaalsContact CD2-CA 3.48Å; Y168-G414 VanDerWaalsContact CG-CA 3.46Å; E409-G414 PolarHBondContact O-N 3.24Å; G414-T416 VanDerWaalsContact C-N 3.31Å; G414-T416 PolarHBondContact O-N 2.76Å; G414-I417 PolarHBondContact O-N 2.57Å; G414-Q418 WeakPolarHBondContact O-CG 3.11Å; G414-Q418 PolarHBondContact O-N 3.07Å; G414-Q418 PolarHBondContact O-NE2 3.41Å |
| 415 | P | 89.1 | Confident | 87.7 | Confident | 38 Ų | 38 | 20.4 Ų | 20.4 | 25% | 0.247 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.5 | -42.4 | 174.1 | -28.6 | 37.4 | 0 | 0 | 0 | 112.6 | R410 I417 Q418 D419 | R410-P415 VanDerWaalsContact O-CD 3.27Å; R410-P415 WeakPolarHBondContact O-CD 3.33Å; P415-I417 PolarHBondContact O-N 3.27Å; P415-Q418 PolarHBondContact O-N 3.14Å; P415-D419 WeakPolarHBondContact O-CB 3.27Å; P415-D419 PolarHBondContact O-N 3.47Å |
| 416 | T | 89.9 | Confident | 86.5 | Confident | 22 Ų | 22 | 20.2 Ų | 20.2 | 14% | 0.135 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 177.7 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | I330 F385 A412 L413 G414 D419 A420 | I330-T416 HydrophobicContact CB-CG2 4.41Å; I330-T416 HydrophobicContact CD1-CG2 3.54Å; I330-T416 HydrophobicContact CG1-CG2 3.98Å; F385-T416 HydrophobicContact CE1-CG2 4Å; F385-T416 HydrophobicContact CZ-CG2 3.93Å; A412-T416 WeakPolarHBondContact O-CB 3.48Å; A412-T416 PolarHBondContact O-N 2.88Å; A412-T416 PolarHBondContact O-OG1 3.06Å; L413-T416 PolarHBondContact O-N 3.48Å; G414-T416 VanDerWaalsContact C-N 3.31Å; G414-T416 PolarHBondContact O-N 2.76Å; T416-D419 PolarHBondContact O-N 3.25Å; T416-A420 VanDerWaalsContact O-CB 3.25Å; T416-A420 WeakPolarHBondContact O-CB 3.24Å; T416-A420 PolarHBondContact O-N 3.04Å |
| 417 | I | 92 | Very high | 84.7 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.2 | -47.8 | 175.6 | -69 | 157.4 | 0 | 0 | 0 | 111.1 | L165 Y168 F169 F385 L413 G414 P415 D419 A420 V421 | L165-I417 HydrophobicContact CD1-CD1 3.33Å; Y168-I417 HydrophobicContact CD2-CD1 4.23Å; F169-I417 HydrophobicContact CD1-CG2 3.97Å; F169-I417 HydrophobicContact CD2-CG2 3.75Å; F169-I417 HydrophobicContact CE1-CG2 4.03Å; F169-I417 HydrophobicContact CE2-CG2 3.8Å; F169-I417 HydrophobicContact CG-CG2 3.82Å; F169-I417 HydrophobicContact CZ-CG2 3.93Å; F385-I417 HydrophobicContact CB-CD1 4.17Å; F385-I417 HydrophobicContact CB-CG1 4.08Å; F385-I417 HydrophobicContact CD1-CG1 3.89Å; F385-I417 HydrophobicContact CD2-CB 4.47Å; F385-I417 HydrophobicContact CD2-CG1 3.55Å; F385-I417 HydrophobicContact CE1-CG1 4.15Å; F385-I417 HydrophobicContact CE2-CB 4.45Å; F385-I417 HydrophobicContact CE2-CG1 3.81Å; F385-I417 HydrophobicContact CG-CD1 4.17Å; F385-I417 HydrophobicContact CG-CG1 3.57Å; F385-I417 HydrophobicContact CZ-CG1 4.11Å; L413-I417 HydrophobicContact CD1-CD1 4.1Å; L413-I417 HydrophobicContact CD1-CG1 4.39Å; L413-I417 HydrophobicContact CD2-CD1 4.48Å; L413-I417 HydrophobicContact CG-CD1 3.75Å; L413-I417 HydrophobicContact CG-CG1 4.49Å; L413-I417 WeakPolarHBondContact O-CD1 3.43Å; L413-I417 VanDerWaalsContact O-CG1 3.31Å; L413-I417 WeakPolarHBondContact O-CG1 3.45Å; L413-I417 PolarHBondContact O-N 2.91Å; G414-I417 PolarHBondContact O-N 2.57Å; P415-I417 PolarHBondContact O-N 3.27Å; I417-D419 VanDerWaalsContact C-N 3.28Å; I417-D419 PolarHBondContact O-N 3.01Å; I417-A420 PolarHBondContact O-N 3.42Å; I417-V421 WeakPolarHBondContact O-CG2 3.01Å; I417-V421 PolarHBondContact O-N 2.93Å |
| 418 | Q | 91.1 | Very high | 82.9 | Confident | 52 Ų | 52 | 26.1 Ų | 26.1 | 24% | 0.243 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.1 | -44.4 | 179.7 | -72.4 | 171.9 | 55.1 | 0 | 0 | 110.7 | Y168 Q171 G414 P415 G422 | Y168-Q418 WeakPolarHBondContact O-CG 3.31Å; Q171-Q418 HydrophobicContact CB-CG 3.95Å; G414-Q418 WeakPolarHBondContact O-CG 3.11Å; G414-Q418 PolarHBondContact O-N 3.07Å; G414-Q418 PolarHBondContact O-NE2 3.41Å; P415-Q418 PolarHBondContact O-N 3.14Å; Q418-G422 WeakPolarHBondContact O-CA 3.38Å; Q418-G422 PolarHBondContact O-N 3.28Å |
| 419 | D | 86.4 | Confident | 80.9 | Confident | 35 Ų | 35 | 27 Ų | 27 | 19% | 0.187 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.8 | -45.6 | 177.8 | -76.6 | -24.9 | 0 | 0 | 0 | 111.9 | R331 P415 T416 I417 V421 Q423 | R331-D419 VanDerWaalsContact CG-OD2 3.29Å; R331-D419 WeakPolarHBondContact CG-OD2 3.29Å; P415-D419 WeakPolarHBondContact O-CB 3.27Å; P415-D419 PolarHBondContact O-N 3.47Å; T416-D419 PolarHBondContact O-N 3.25Å; I417-D419 VanDerWaalsContact C-N 3.28Å; I417-D419 PolarHBondContact O-N 3.01Å; D419-V421 VanDerWaalsContact C-N 3.25Å; D419-V421 PolarHBondContact O-N 3.22Å; D419-Q423 VanDerWaalsContact CG-NE2 3.29Å; D419-Q423 WeakPolarHBondContact O-CA 3.48Å; D419-Q423 WeakPolarHBondContact O-CB 3.44Å; D419-Q423 WeakPolarHBondContact O-CG 3.4Å; D419-Q423 PolarHBondContact O-N 2.92Å; D419-Q423 PolarHBondContact OD1-NE2 3.46Å |
| 420 | A | 87.4 | Confident | 79.2 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.4 | -39.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I330 F377 F385 T416 I417 | I330-A420 HydrophobicContact CD1-CB 4.23Å; F377-A420 WeakPolarHBondContact CE1-O 3.27Å; F377-A420 HydrophobicContact CZ-CB 4.45Å; F385-A420 HydrophobicContact CE2-CB 4.12Å; F385-A420 HydrophobicContact CZ-CB 4.33Å; T416-A420 VanDerWaalsContact O-CB 3.25Å; T416-A420 WeakPolarHBondContact O-CB 3.24Å; T416-A420 PolarHBondContact O-N 3.04Å; I417-A420 PolarHBondContact O-N 3.42Å |
| 421 | V | 90.2 | Very high | 77.3 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -83.1 | -52.4 | 179.3 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | F169 G172 L173 F374 F378 I417 D419 Q423 Y424 | F169-V421 HydrophobicContact CD1-CG2 3.63Å; F169-V421 HydrophobicContact CE1-CG2 3.81Å; G172-V421 VanDerWaalsContact C-CG1 3.5Å; L173-V421 HydrophobicContact CD2-CG1 4.13Å; L173-V421 HydrophobicContact CG-CG1 4.27Å; F374-V421 HydrophobicContact CE2-CG1 4.3Å; F374-V421 HydrophobicContact CZ-CG1 3.97Å; F378-V421 HydrophobicContact CD2-CG1 3.94Å; F378-V421 HydrophobicContact CD2-CG2 4.12Å; F378-V421 HydrophobicContact CE2-CG1 3.86Å; F378-V421 HydrophobicContact CE2-CG2 4.12Å; I417-V421 WeakPolarHBondContact O-CG2 3.01Å; I417-V421 PolarHBondContact O-N 2.93Å; D419-V421 VanDerWaalsContact C-N 3.25Å; D419-V421 PolarHBondContact O-N 3.22Å; V421-Q423 VanDerWaalsContact C-N 3.35Å; V421-Q423 PolarHBondContact O-N 2.92Å; V421-Y424 PolarHBondContact O-N 3.48Å |
| 422 | G | 87.9 | Confident | 75.1 | Confident | 7 Ų | 7 | 23.2 Ų | 23.2 | 7% | 0.072 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G172 Q418 | G172-G422 VanDerWaalsContact O-CA 3.3Å; G172-G422 WeakPolarHBondContact O-CA 3.34Å; Q418-G422 WeakPolarHBondContact O-CA 3.38Å; Q418-G422 PolarHBondContact O-N 3.28Å |
| 423 | Q | 78.8 | Confident | 72.9 | Confident | 19 Ų | 19 | 25.9 Ų | 25.9 | 9% | 0.089 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -0.7 | -175.7 | -50.6 | -173.1 | 21.3 | 0 | 0 | 113 | D419 V421 Q425 C426 S429 | D419-Q423 VanDerWaalsContact CG-NE2 3.29Å; D419-Q423 WeakPolarHBondContact O-CA 3.48Å; D419-Q423 WeakPolarHBondContact O-CB 3.44Å; D419-Q423 WeakPolarHBondContact O-CG 3.4Å; D419-Q423 PolarHBondContact O-N 2.92Å; D419-Q423 PolarHBondContact OD1-NE2 3.46Å; V421-Q423 VanDerWaalsContact C-N 3.35Å; V421-Q423 PolarHBondContact O-N 2.92Å; Q423-Q425 PolarHBondContact O-N 2.79Å; Q423-Q425 VanDerWaalsContact O-N 3.16Å; Q423-C426 HydrophobicContact CB-CB 4.5Å; Q423-C426 WeakPolarHBondContact O-CB 3.39Å; Q423-C426 PolarHBondContact O-N 3.35Å; Q423-S429 VanDerWaalsContact C-OG 3.28Å; Q423-S429 WeakPolarHBondContact CB-OG 3.29Å; Q423-S429 WeakPolarHBondContact O-CB 3.39Å; Q423-S429 PolarHBondContact O-OG 3.35Å |
| 424 | Y | 79.7 | Confident | 70.8 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 121.8 | -174.7 | 180 | -89.5 | 0 | 0 | 0 | 113.8 | R176 I372 F374 F377 V421 C426 T431 | R176-Y424 PolarHBondContact NH1-O 3.43Å; I372-Y424 VanDerWaalsContact CG2-OH 3.29Å; I372-Y424 WeakPolarHBondContact CG2-OH 3.3Å; I372-Y424 PolarHBondContact O-OH 3.5Å; F374-Y424 HydrophobicContact CB-CD1 4.25Å; F374-Y424 HydrophobicContact CB-CE1 4.16Å; F374-Y424 AromaticContact CD2-CD1 3.62Å; F374-Y424 HydrophobicContact CD2-CD1 3.62Å; F374-Y424 HydrophobicContact CD2-CE1 4.25Å; F374-Y424 AromaticContact CD2-CG 3.81Å; F374-Y424 HydrophobicContact CD2-CG 3.81Å; F374-Y424 HydrophobicContact CE2-CG 4.35Å; F374-Y424 HydrophobicContact CG-CD1 4.39Å; F377-Y424 HydrophobicContact CB-CD2 4.04Å; F377-Y424 HydrophobicContact CB-CE2 3.48Å; F377-Y424 VanDerWaalsContact CB-CE2 3.48Å; F377-Y424 AromaticContact CD1-CD2 3.25Å; F377-Y424 HydrophobicContact CD1-CD2 3.25Å; F377-Y424 AromaticContact CD1-CE2 3.63Å; F377-Y424 HydrophobicContact CD1-CE2 3.63Å; F377-Y424 HydrophobicContact CD1-CG 4.11Å; F377-Y424 AromaticContact CD2-CD2 3.97Å; F377-Y424 HydrophobicContact CD2-CD2 3.97Å; F377-Y424 AromaticContact CD2-CE2 3.66Å; F377-Y424 HydrophobicContact CD2-CE2 3.66Å; F377-Y424 AromaticContact CE1-CD2 3.65Å; F377-Y424 HydrophobicContact CE1-CD2 3.65Å; F377-Y424 HydrophobicContact CE1-CE2 4.31Å; F377-Y424 HydrophobicContact CE2-CD2 4.31Å; F377-Y424 HydrophobicContact CE2-CE2 4.34Å; F377-Y424 AromaticContact CG-CD2 3.44Å; F377-Y424 HydrophobicContact CG-CD2 3.44Å; F377-Y424 VanDerWaalsContact CG-CD2 3.44Å; F377-Y424 AromaticContact CG-CE2 3.26Å; F377-Y424 HydrophobicContact CG-CE2 3.26Å; F377-Y424 HydrophobicContact CZ-CD2 4.17Å; V421-Y424 PolarHBondContact O-N 3.48Å; Y424-C426 PolarHBondContact O-N 3.1Å; Y424-T431 WeakPolarHBondContact CA-OG1 3.37Å; Y424-T431 WeakPolarHBondContact CD2-OG1 3.42Å; Y424-T431 VanDerWaalsContact CE2-O 3.23Å; Y424-T431 WeakPolarHBondContact CE2-O 3.42Å |
| 425 | Q | 72.9 | Confident | 68.9 | Low | 103 Ų | 103 | 29.8 Ų | 29.8 | 48% | 0.481 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 16.2 | -176.4 | -67.7 | 178.1 | -7.2 | 0 | 0 | 115.8 | Q423 | Q423-Q425 PolarHBondContact O-N 2.79Å; Q423-Q425 VanDerWaalsContact O-N 3.16Å |
| 426 | C | 62.9 | Low | 67.7 | Low | 15 Ų | 15 | 28.7 Ų | 28.7 | 10% | 0.101 | 20% | 0.204 | C | C | . | . | trans | -56.4 | 149.4 | 163.4 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | C181 Q423 Y424 G428 S429 | C181-C426 WeakPolarHBondContact CA-SG 2.91Å; C181-C426 HydrophobicContact CB-CB 4.32Å; C181-C426 WeakPolarHBondContact CB-SG 3.35Å; C181-C426 WeakPolarHBondContact SG-CB 3.25Å; C181-C426 CovalentContact SG-SG 2.01Å; C181-C426 PolarHBondContact SG-SG 3.32Å; Q423-C426 HydrophobicContact CB-CB 4.5Å; Q423-C426 WeakPolarHBondContact O-CB 3.39Å; Q423-C426 PolarHBondContact O-N 3.35Å; Y424-C426 PolarHBondContact O-N 3.1Å; C426-G428 PolarHBondContact O-N 3.16Å; C426-S429 VanDerWaalsContact O-CB 3.25Å; C426-S429 WeakPolarHBondContact O-CB 3.45Å; C426-S429 PolarHBondContact O-N 3.1Å | ||
| 427 | A | 50.3 | Low | 66.6 | Low | 93 Ų | 93 | 34.9 Ų | 34.9 | 77% | 0.769 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 113 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 428 | G | 51.3 | Low | 66.1 | Low | 31 Ų | 31 | 35.4 Ų | 35.4 | 32% | 0.32 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 4.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116 | T184 S334 C426 | T184-G428 WeakPolarHBondContact CG2-O 3.45Å; S334-G428 WeakPolarHBondContact CB-O 3.43Å; S334-G428 PolarHBondContact OG-O 3.06Å; C426-G428 PolarHBondContact O-N 3.16Å |
| 429 | S | 49.7 | Very low | 65.7 | Low | 21 Ų | 21 | 41.2 Ų | 41.2 | 15% | 0.147 | 26% | 0.261 | C | S | . | . | trans | -96.7 | 166.4 | -179.7 | -176.5 | 0 | 0 | 0 | 0 | 114.6 | Q423 C426 | Q423-S429 VanDerWaalsContact C-OG 3.28Å; Q423-S429 WeakPolarHBondContact CB-OG 3.29Å; Q423-S429 WeakPolarHBondContact O-CB 3.39Å; Q423-S429 PolarHBondContact O-OG 3.35Å; C426-S429 VanDerWaalsContact O-CB 3.25Å; C426-S429 WeakPolarHBondContact O-CB 3.45Å; C426-S429 PolarHBondContact O-N 3.1Å | ||
| 430 | V | 54.2 | Low | 65.9 | Low | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -94.9 | -32 | -135.2 | 172.5 | 0 | 0 | 0 | 0 | 113.3 | I330 Y333 L360 | I330-V430 HydrophobicContact CG2-CB 4.16Å; I330-V430 HydrophobicContact CG2-CG1 3.68Å; I330-V430 HydrophobicContact CG2-CG2 4.25Å; I330-V430 WeakPolarHBondContact O-CG2 3.27Å; Y333-V430 HydrophobicContact CD1-CB 4.11Å; Y333-V430 HydrophobicContact CD1-CG1 3.51Å; Y333-V430 HydrophobicContact CD1-CG2 4.32Å; Y333-V430 HydrophobicContact CD2-CG1 4.29Å; Y333-V430 HydrophobicContact CE1-CG1 4.22Å; Y333-V430 HydrophobicContact CG-CB 4.49Å; Y333-V430 HydrophobicContact CG-CG1 3.55Å; L360-V430 HydrophobicContact CD1-CG1 4.02Å; L360-V430 HydrophobicContact CD2-CG1 3.54Å; L360-V430 HydrophobicContact CG-CG1 4.39Å |
| 431 | T | 48.5 | Very low | 66.1 | Low | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -102.3 | 7.8 | -153.3 | 39.1 | 0 | 0 | 0 | 0 | 115.6 | L360 F377 Y424 | L360-T431 HydrophobicContact CD2-CG2 3.71Å; F377-T431 HydrophobicContact CE1-CG2 4.22Å; F377-T431 HydrophobicContact CE2-CG2 3.66Å; F377-T431 VanDerWaalsContact CZ-CB 3.48Å; F377-T431 HydrophobicContact CZ-CG2 3.34Å; Y424-T431 WeakPolarHBondContact CA-OG1 3.37Å; Y424-T431 WeakPolarHBondContact CD2-OG1 3.42Å; Y424-T431 VanDerWaalsContact CE2-O 3.23Å; Y424-T431 WeakPolarHBondContact CE2-O 3.42Å |
| 432 | G | 43 | Very low | 66.2 | Low | 17 Ų | 17 | 50.5 Ų | 50.5 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -151.9 | 21.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 433 | G | 42 | Very low | 66.4 | Low | 69 Ų | 69 | 52 Ų | 52 | 71% | 0.711 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 179.4 | -14.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 119 | S435 | G433-S435 PolarHBondContact O-N 2.83Š|
| 434 | A | 47.5 | Very low | 67.1 | Low | 42 Ų | 42 | 54.3 Ų | 54.3 | 35% | 0.347 | 33% | 0.329 | S | S | . | . | trans | -81.8 | 86.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y333 R364 L436 | Y333-A434 HydrophobicContact CE1-CB 4.18Å; Y333-A434 PolarHBondContact OH-O 2.94Å; R364-A434 PolarHBondContact NE-O 3.12Å; A434-L436 PolarHBondContact O-N 2.79Å | ||
| 435 | S | 52.3 | Low | 67.7 | Low | 54 Ų | 54 | 60 Ų | 60 | 38% | 0.378 | 36% | 0.355 | S | S | . | . | trans | -63.9 | 127.7 | 160.7 | -169.8 | 0 | 0 | 0 | 0 | 107.6 | G433 E437 | G433-S435 PolarHBondContact O-N 2.83Å; S435-E437 PolarHBondContact O-N 2.84Å | ||
| 436 | L | 64.1 | Low | 68.7 | Low | 15 Ų | 15 | 56.1 Ų | 56.1 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | trans | -70.2 | 76.8 | 168.2 | -174.3 | 83.1 | 0 | 0 | 0 | 107.2 | T337 L340 T354 A434 L438 | T337-L436 HydrophobicContact CG2-CD1 4.08Å; L340-L436 HydrophobicContact CD2-CD1 3.4Å; L340-L436 HydrophobicContact CD2-CD2 4.14Å; L340-L436 HydrophobicContact CD2-CG 4.32Å; L340-L436 HydrophobicContact CG-CD1 4.2Å; T354-L436 HydrophobicContact CG2-CD2 3.54Å; A434-L436 PolarHBondContact O-N 2.79Å; L436-L438 HydrophobicContact CD1-CD2 3.96Å; L436-L438 HydrophobicContact CD2-CD1 4.22Å; L436-L438 HydrophobicContact CD2-CD2 4.14Å; L436-L438 HydrophobicContact CD2-CG 4.05Å; L436-L438 HydrophobicContact CG-CD2 3.82Å; L436-L438 HydrophobicContact CG-CG 4Å; L436-L438 PolarHBondContact O-N 2.75Å | ||
| 437 | E | 66.1 | Low | 70.2 | Confident | 152 Ų | 152 | 56.9 Ų | 56.9 | 71% | 0.71 | 34% | 0.343 | S | S | * | . | trans | -84.3 | 96.2 | 171.1 | -68.2 | -172 | 174.3 | 0 | 0 | 107.3 | S435 E439 | S435-E437 PolarHBondContact O-N 2.84Å; E437-E439 PolarHBondContact O-N 3.3Å | ||
| 438 | L | 82.7 | Confident | 72.3 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | trans | -76.3 | 83.1 | 169.5 | -59.6 | -173.9 | 0 | 0 | 0 | 108.1 | L340 V344 V352 L436 G440 F441 W488 | L340-L438 HydrophobicContact CD2-CD2 4.18Å; L340-L438 HydrophobicContact CG-CD2 4.05Å; V344-L438 HydrophobicContact CG1-CB 4.47Å; V344-L438 HydrophobicContact CG1-CD2 4.46Å; V344-L438 HydrophobicContact CG2-CD2 4.07Å; V352-L438 HydrophobicContact CB-CD1 4.03Å; V352-L438 HydrophobicContact CG1-CD1 3.82Å; V352-L438 HydrophobicContact CG2-CD1 4.35Å; L436-L438 HydrophobicContact CD1-CD2 3.96Å; L436-L438 HydrophobicContact CD2-CD1 4.22Å; L436-L438 HydrophobicContact CD2-CD2 4.14Å; L436-L438 HydrophobicContact CD2-CG 4.05Å; L436-L438 HydrophobicContact CG-CD2 3.82Å; L436-L438 HydrophobicContact CG-CG 4Å; L436-L438 PolarHBondContact O-N 2.75Å; L438-G440 PolarHBondContact O-N 3.39Å; L438-F441 HydrophobicContact CB-CB 3.75Å; L438-F441 HydrophobicContact CB-CD2 4.42Å; L438-F441 HydrophobicContact CB-CG 4.21Å; L438-F441 WeakPolarHBondContact O-CB 3.2Å; L438-F441 PolarHBondContact O-N 3.03Å; L438-W488 HydrophobicContact CD1-CB 3.84Å; L438-W488 HydrophobicContact CD1-CD2 3.75Å; L438-W488 HydrophobicContact CD1-CE3 4.37Å; L438-W488 HydrophobicContact CD1-CG 3.47Å; L438-W488 VanDerWaalsContact CD1-CG 3.47Å | ||
| 439 | E | 82.7 | Confident | 74.4 | Confident | 175 Ų | 175 | 60 Ų | 60 | 82% | 0.818 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 128.6 | -179.8 | -169.8 | -176.6 | 176.5 | 0 | 0 | 110.9 | E437 F441 | E437-E439 PolarHBondContact O-N 3.3Å; E439-F441 VanDerWaalsContact C-N 3.31Å |
| 440 | G | 89.3 | Confident | 76.5 | Confident | 47 Ų | 47 | 59 Ų | 59 | 49% | 0.485 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 7.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L438 P490 V491 | L438-G440 PolarHBondContact O-N 3.39Å; G440-P490 CarbonylContact O-C 3.57Å; G440-P490 WeakPolarHBondContact O-CA 3.15Å; G440-V491 PolarHBondContact O-N 2.67Å |
| 441 | F | 92.6 | Very high | 78.5 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 12% | 0.118 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 152 | 175.1 | -72.3 | -111.4 | 0 | 0 | 0 | 111.4 | V344 P349 V352 L438 E439 W488 T489 P490 | V344-F441 HydrophobicContact CG1-CD2 3.54Å; V344-F441 HydrophobicContact CG1-CE2 3.31Å; V344-F441 HydrophobicContact CG1-CG 4.45Å; V344-F441 HydrophobicContact CG1-CZ 4.01Å; P349-F441 HydrophobicContact CG-CE1 4.19Å; P349-F441 HydrophobicContact CG-CZ 3.89Å; P349-F441 VanDerWaalsContact O-CE1 3.24Å; P349-F441 WeakPolarHBondContact O-CE1 3.48Å; P349-F441 VanDerWaalsContact O-CZ 3.23Å; P349-F441 WeakPolarHBondContact O-CZ 3.42Å; V352-F441 HydrophobicContact CG2-CD1 3.99Å; V352-F441 HydrophobicContact CG2-CE1 3.67Å; V352-F441 HydrophobicContact CG2-CZ 4.28Å; L438-F441 HydrophobicContact CB-CB 3.75Å; L438-F441 HydrophobicContact CB-CD2 4.42Å; L438-F441 HydrophobicContact CB-CG 4.21Å; L438-F441 WeakPolarHBondContact O-CB 3.2Å; L438-F441 PolarHBondContact O-N 3.03Å; E439-F441 VanDerWaalsContact C-N 3.31Å; F441-W488 HydrophobicContact CB-CB 4.2Å; F441-W488 HydrophobicContact CD1-CB 4.15Å; F441-T489 CarbonylContact C-O 3.57Å; F441-T489 VanDerWaalsContact CA-O 3.29Å; F441-T489 WeakPolarHBondContact CA-O 3.36Å; F441-T489 VanDerWaalsContact CD1-C 3.42Å; F441-P490 HydrophobicContact CD1-CG 4.38Å; F441-P490 HydrophobicContact CE1-CG 3.73Å; F441-P490 HydrophobicContact CZ-CG 3.88Å |
| 442 | R | 91.8 | Very high | 80.8 | Confident | 156 Ų | 156 | 61.9 Ų | 61.9 | 59% | 0.589 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 148 | 171.2 | 63.9 | 179 | -179 | 179.6 | 1.3 | 110.5 | R444 W488 T489 V491 | R442-R444 PolarHBondContact O-N 3.43Å; R442-W488 VanDerWaalsContact O-CA 3.32Å; R442-W488 WeakPolarHBondContact O-CA 3.37Å; R442-T489 PolarHBondContact N-O 3.45Å; R442-T489 PolarHBondContact O-N 2.92Å; R442-V491 HydrophobicContact CB-CG2 3.82Å; R442-V491 HydrophobicContact CG-CG2 3.94Å |
| 443 | A | 91.7 | Very high | 83.3 | Confident | 40 Ų | 40 | 63.1 Ų | 63.1 | 33% | 0.331 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 135.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V487 W488 | A443-V487 CarbonylContact C-O 3.56Å; A443-V487 WeakPolarHBondContact CA-O 3.09Å; A443-W488 HydrophobicContact CB-CE3 4.12Å; A443-W488 HydrophobicContact CB-CZ3 4.07Å |
| 444 | R | 93.1 | Very high | 85.9 | Confident | 66 Ų | 66 | 60 Ų | 60 | 25% | 0.249 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -103 | 130.2 | 176 | -175.5 | -179.6 | 76.2 | 175.2 | 2.8 | 107.9 | A219 R442 M446 G471 V487 T489 | A219-R444 PolarHBondContact O-NH2 2.72Å; R442-R444 PolarHBondContact O-N 3.43Å; R444-M446 PolarHBondContact O-N 2.96Å; R444-G471 VanDerWaalsContact O-CA 3.24Å; R444-G471 WeakPolarHBondContact O-CA 3.31Å; R444-V487 HydrophobicContact CB-CB 4.43Å; R444-V487 HydrophobicContact CB-CG1 4.1Å; R444-V487 PolarHBondContact N-O 3.35Å; R444-T489 HydrophobicContact CB-CG2 4.17Å; R444-T489 HydrophobicContact CG-CG2 4.42Å |
| 445 | E | 93.6 | Very high | 88.3 | Confident | 120 Ų | 120 | 64.2 Ų | 64.2 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 138.6 | 172.7 | -73.1 | -57.5 | 142.1 | 0 | 0 | 111.8 | G471 | E445-G471 PolarHBondContact OE1-N 2.99Š|
| 446 | M | 93 | Very high | 90.4 | Very high | 23 Ų | 23 | 66.8 Ų | 66.8 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 141.7 | 177.7 | -65.3 | -71.1 | 162.1 | 0 | 0 | 109.5 | R444 V451 G471 L473 V485 V487 | R444-M446 PolarHBondContact O-N 2.96Å; M446-V451 HydrophobicContact CB-CG2 4.21Å; M446-G471 WeakPolarHBondContact CE-O 3.21Å; M446-L473 HydrophobicContact CG-CB 4.09Å; M446-L473 HydrophobicContact SD-CB 4.42Å; M446-V485 WeakPolarHBondContact CE-O 3.44Å; M446-V487 HydrophobicContact CE-CB 3.79Å; M446-V487 HydrophobicContact CE-CG2 3.37Å; M446-V487 HydrophobicContact SD-CG2 3.86Å |
| 447 | S | 94.3 | Very high | 91.9 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 21% | 0.21 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -66 | 153 | 175.4 | 77.5 | 0 | 0 | 0 | 0 | 110.8 | E222 F449 S450 V451 | E222-S447 VanDerWaalsContact CD-OG 3.29Å; E222-S447 VanDerWaalsContact OE1-CB 3.25Å; E222-S447 WeakPolarHBondContact OE1-CB 3.36Å; E222-S447 PolarHBondContact OE1-OG 2.89Å; E222-S447 VanDerWaalsContact OE2-CB 3.26Å; E222-S447 WeakPolarHBondContact OE2-CB 3.48Å; E222-S447 PolarHBondContact OE2-OG 2.84Å; S447-F449 PolarHBondContact O-N 3.28Å; S447-F449 PolarHBondContact OG-N 3.37Å; S447-S450 PolarHBondContact O-N 3.02Å; S447-S450 PolarHBondContact OG-N 3.08Å; S447-S450 PolarHBondContact OG-OG 2.92Å; S447-S450 VanDerWaalsContact OG-OG 3.13Å; S447-V451 WeakPolarHBondContact O-CG2 3.47Å; S447-V451 PolarHBondContact O-N 3.35Å; S447-V451 VanDerWaalsContact O-N 3.08Å |
| 448 | S | 95.3 | Very high | 93.3 | Very high | 109 Ų | 109 | 59.7 Ų | 59.7 | 76% | 0.762 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -58.6 | -28.8 | 172.6 | 51.6 | 0 | 0 | 0 | 0 | 112 | A452 | S448-A452 WeakPolarHBondContact O-CB 3.43Å; S448-A452 PolarHBondContact O-N 2.98Å |
| 449 | F | 94.6 | Very high | 93.8 | Very high | 81 Ų | 81 | 62.1 Ų | 62.1 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.4 | -48.9 | 174.7 | -171.9 | -87.5 | 0 | 0 | 0 | 112 | I33 Q218 S447 V451 A452 Q453 | I33-F449 HydrophobicContact CD1-CD2 4.46Å; I33-F449 HydrophobicContact CD1-CE2 3.49Å; I33-F449 VanDerWaalsContact CD1-CE2 3.49Å; I33-F449 HydrophobicContact CD1-CZ 4.15Å; Q218-F449 VanDerWaalsContact CD-CE1 3.42Å; Q218-F449 HydrophobicContact CG-CD1 3.79Å; Q218-F449 HydrophobicContact CG-CE1 4.22Å; Q218-F449 VanDerWaalsContact OE1-CE1 3.24Å; S447-F449 PolarHBondContact O-N 3.28Å; S447-F449 PolarHBondContact OG-N 3.37Å; F449-V451 VanDerWaalsContact C-N 3.27Å; F449-V451 PolarHBondContact O-N 2.92Å; F449-A452 PolarHBondContact O-N 3.18Å; F449-A452 VanDerWaalsContact O-N 3.14Å; F449-Q453 WeakPolarHBondContact O-CB 3.32Å; F449-Q453 PolarHBondContact O-N 2.01Å |
| 450 | S | 95 | Very high | 94.2 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.2 | -42.6 | 174.8 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | Q218 S447 Q453 G454 L473 | Q218-S450 WeakPolarHBondContact CG-OG 3.42Å; S447-S450 PolarHBondContact O-N 3.02Å; S447-S450 PolarHBondContact OG-N 3.08Å; S447-S450 PolarHBondContact OG-OG 2.92Å; S447-S450 VanDerWaalsContact OG-OG 3.13Å; S450-Q453 PolarHBondContact O-N 2.98Å; S450-G454 PolarHBondContact O-N 2.93Å; S450-L473 WeakPolarHBondContact O-CD2 3.38Å |
| 451 | V | 96.4 | Very high | 94.4 | Very high | 9 Ų | 9 | 59 Ų | 59 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 176.9 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | M446 S447 F449 R455 H468 L473 | M446-V451 HydrophobicContact CB-CG2 4.21Å; S447-V451 WeakPolarHBondContact O-CG2 3.47Å; S447-V451 PolarHBondContact O-N 3.35Å; S447-V451 VanDerWaalsContact O-N 3.08Å; F449-V451 VanDerWaalsContact C-N 3.27Å; F449-V451 PolarHBondContact O-N 2.92Å; V451-R455 WeakPolarHBondContact O-CB 3.36Å; V451-R455 WeakPolarHBondContact O-CG 3.31Å; V451-R455 PolarHBondContact O-N 3.33Å; V451-H468 HydrophobicContact CG2-CB 4.17Å; V451-L473 HydrophobicContact CB-CD1 4.43Å; V451-L473 HydrophobicContact CG2-CD1 3.9Å |
| 452 | A | 96.7 | Very high | 94.3 | Very high | 55 Ų | 55 | 61.9 Ų | 61.9 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S448 F449 R455 M456 | S448-A452 WeakPolarHBondContact O-CB 3.43Å; S448-A452 PolarHBondContact O-N 2.98Å; F449-A452 PolarHBondContact O-N 3.18Å; F449-A452 VanDerWaalsContact O-N 3.14Å; A452-R455 PolarHBondContact O-N 3.44Å; A452-M456 WeakPolarHBondContact O-CB 3.25Å; A452-M456 PolarHBondContact O-N 3.31Å |
| 453 | Q | 95.6 | Very high | 94.4 | Very high | 44 Ų | 44 | 56.3 Ų | 56.3 | 21% | 0.206 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 176.2 | -174.4 | -174.2 | 66.5 | 0 | 0 | 111.3 | F214 F449 S450 R455 M456 L457 | F214-Q453 PolarHBondContact O-OE1 3.45Å; F449-Q453 WeakPolarHBondContact O-CB 3.32Å; F449-Q453 PolarHBondContact O-N 2.01Å; S450-Q453 PolarHBondContact O-N 2.98Å; Q453-R455 VanDerWaalsContact C-N 3.33Å; Q453-R455 PolarHBondContact O-N 2.94Å; Q453-M456 PolarHBondContact O-N 3.19Å; Q453-L457 PolarHBondContact O-N 3.36Å |
| 454 | G | 95.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.2 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | S450 L457 A458 V466 | S450-G454 PolarHBondContact O-N 2.93Å; G454-L457 PolarHBondContact O-N 3.23Å; G454-A458 WeakPolarHBondContact O-CB 3.49Å; G454-A458 PolarHBondContact O-N 3.49Å; G454-V466 WeakPolarHBondContact O-CG2 3.42Å |
| 455 | R | 97.1 | Very high | 94.9 | Very high | 131 Ų | 131 | 53.6 Ų | 53.6 | 49% | 0.494 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.7 | -75.6 | 175.9 | -179.8 | 146.3 | 4.8 | 112.6 | V451 A452 Q453 A458 G459 V466 H468 | V451-R455 WeakPolarHBondContact O-CB 3.36Å; V451-R455 WeakPolarHBondContact O-CG 3.31Å; V451-R455 PolarHBondContact O-N 3.33Å; A452-R455 PolarHBondContact O-N 3.44Å; Q453-R455 VanDerWaalsContact C-N 3.33Å; Q453-R455 PolarHBondContact O-N 2.94Å; R455-A458 PolarHBondContact O-N 3.16Å; R455-G459 PolarHBondContact O-N 2.92Å; R455-V466 HydrophobicContact CG-CB 4.28Å; R455-H468 PolarHBondContact NH2-CD2 3.28Å; R455-H468 VanDerWaalsContact NH2-CD2 3.35Å; R455-H468 PolarHBondContact NH2-NE2 2.85Å |
| 456 | M | 96.9 | Very high | 95.1 | Very high | 108 Ų | 108 | 49 Ų | 49 | 53% | 0.532 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 177 | 179.9 | 179.4 | 172.9 | 0 | 0 | 110.8 | A31 A452 Q453 G459 L460 | A31-M456 HydrophobicContact CB-CE 3.61Å; A31-M456 HydrophobicContact CB-SD 3.68Å; A452-M456 WeakPolarHBondContact O-CB 3.25Å; A452-M456 PolarHBondContact O-N 3.31Å; Q453-M456 PolarHBondContact O-N 3.19Å; M456-G459 PolarHBondContact O-N 3.36Å; M456-L460 PolarHBondContact O-N 3.12Å |
| 457 | L | 95.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 9% | 0.089 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.1 | -49 | 177.3 | 177 | 68.5 | 0 | 0 | 0 | 111.5 | K210 F211 F214 Q453 G454 G459 L460 F461 | K210-L457 HydrophobicContact CB-CD1 4.08Å; K210-L457 HydrophobicContact CB-CD2 3.83Å; K210-L457 HydrophobicContact CD-CD1 4.38Å; F211-L457 HydrophobicContact CB-CD2 3.8Å; F211-L457 VanDerWaalsContact N-CD2 3.32Å; F214-L457 HydrophobicContact CD2-CD2 4.26Å; Q453-L457 PolarHBondContact O-N 3.36Å; G454-L457 PolarHBondContact O-N 3.23Å; L457-G459 PolarHBondContact O-N 3.09Å; L457-L460 HydrophobicContact CD1-CD1 4.39Å; L457-L460 WeakPolarHBondContact O-CB 3.24Å; L457-L460 PolarHBondContact O-N 2.67Å; L457-F461 HydrophobicContact CD1-CE2 4.18Å; L457-F461 WeakPolarHBondContact O-CD2 3.47Å |
| 458 | A | 95.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.1 | -35 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | G454 R455 L460 F461 F464 V466 L475 | G454-A458 WeakPolarHBondContact O-CB 3.49Å; G454-A458 PolarHBondContact O-N 3.49Å; R455-A458 PolarHBondContact O-N 3.16Å; A458-L460 PolarHBondContact O-N 2.74Å; A458-F461 PolarHBondContact O-N 3.08Å; A458-F464 HydrophobicContact CB-CB 4.16Å; A458-V466 HydrophobicContact CB-CG2 3.87Å; A458-L475 HydrophobicContact CB-CD1 4.15Å |
| 459 | G | 94 | Very high | 94.8 | Very high | 63 Ų | 63 | 50.7 Ų | 50.7 | 65% | 0.649 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64 | -18.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R455 M456 L457 F461 | R455-G459 PolarHBondContact O-N 2.92Å; M456-G459 PolarHBondContact O-N 3.36Å; L457-G459 PolarHBondContact O-N 3.09Å; G459-F461 PolarHBondContact O-N 3.48Å |
| 460 | L | 92.2 | Very high | 94.3 | Very high | 119 Ų | 119 | 53.1 Ų | 53.1 | 62% | 0.623 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -16.5 | 172.7 | -57.6 | 178.5 | 0 | 0 | 0 | 112.6 | M456 L457 A458 | M456-L460 PolarHBondContact O-N 3.12Å; L457-L460 HydrophobicContact CD1-CD1 4.39Å; L457-L460 WeakPolarHBondContact O-CB 3.24Å; L457-L460 PolarHBondContact O-N 2.67Å; A458-L460 PolarHBondContact O-N 2.74Å |
| 461 | F | 92 | Very high | 93.9 | Very high | 38 Ų | 38 | 53.1 Ų | 53.1 | 17% | 0.167 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -120 | 111.9 | -177 | -60.6 | -93.5 | 0 | 0 | 0 | 110.2 | P207 L457 A458 G459 G463 F464 | P207-F461 HydrophobicContact CB-CD2 3.66Å; P207-F461 HydrophobicContact CB-CE2 3.77Å; P207-F461 HydrophobicContact CB-CG 4.08Å; P207-F461 HydrophobicContact CB-CZ 4.27Å; P207-F461 HydrophobicContact CG-CB 4.25Å; P207-F461 HydrophobicContact CG-CD1 4.28Å; P207-F461 HydrophobicContact CG-CD2 4.04Å; P207-F461 HydrophobicContact CG-CE2 4.47Å; P207-F461 HydrophobicContact CG-CG 3.94Å; L457-F461 HydrophobicContact CD1-CE2 4.18Å; L457-F461 WeakPolarHBondContact O-CD2 3.47Å; A458-F461 PolarHBondContact O-N 3.08Å; G459-F461 PolarHBondContact O-N 3.48Å; F461-G463 PolarHBondContact O-N 3.28Å; F461-F464 HydrophobicContact CB-CB 4.29Å; F461-F464 HydrophobicContact CB-CD2 3.42Å; F461-F464 VanDerWaalsContact CB-CD2 3.42Å; F461-F464 HydrophobicContact CB-CE2 4.01Å; F461-F464 HydrophobicContact CB-CG 4.11Å; F461-F464 HydrophobicContact CG-CD2 4.49Å; F461-F464 WeakPolarHBondContact O-CB 3.37Å; F461-F464 PolarHBondContact O-N 3.08Å; F461-F464 VanDerWaalsContact O-N 3.12Å |
| 462 | S | 90.6 | Very high | 93.7 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 128.6 | -176.7 | 65 | 0 | 0 | 0 | 0 | 112.1 | S394 F464 W477 | S394-S462 PolarHBondContact OG-OG 3.37Å; S462-F464 VanDerWaalsContact C-N 3.34Å; S462-W477 WeakPolarHBondContact O-CZ3 3.41Å |
| 463 | G | 94.3 | Very high | 93.7 | Very high | 39 Ų | 39 | 50.9 Ų | 50.9 | 40% | 0.402 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -10.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F461 K478 | F461-G463 PolarHBondContact O-N 3.28Å; G463-K478 PolarHBondContact O-N 3.23Å |
| 464 | F | 97.5 | Very high | 93.7 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 10% | 0.096 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 153.3 | 171.4 | -71.9 | -92.8 | 0 | 0 | 0 | 112.1 | P207 F208 S391 A458 F461 S462 L475 C476 W477 | P207-F464 HydrophobicContact CG-CD1 3.62Å; P207-F464 HydrophobicContact CG-CD2 3.95Å; P207-F464 HydrophobicContact CG-CE1 3.41Å; P207-F464 VanDerWaalsContact CG-CE1 3.41Å; P207-F464 HydrophobicContact CG-CE2 3.76Å; P207-F464 HydrophobicContact CG-CG 3.86Å; P207-F464 HydrophobicContact CG-CZ 3.45Å; P207-F464 VanDerWaalsContact CG-CZ 3.45Å; F208-F464 HydrophobicContact CE2-CZ 4.48Å; F208-F464 HydrophobicContact CZ-CE1 4.26Å; S391-F464 VanDerWaalsContact CB-CZ 3.48Å; A458-F464 HydrophobicContact CB-CB 4.16Å; F461-F464 HydrophobicContact CB-CB 4.29Å; F461-F464 HydrophobicContact CB-CD2 3.42Å; F461-F464 VanDerWaalsContact CB-CD2 3.42Å; F461-F464 HydrophobicContact CB-CE2 4.01Å; F461-F464 HydrophobicContact CB-CG 4.11Å; F461-F464 HydrophobicContact CG-CD2 4.49Å; F461-F464 WeakPolarHBondContact O-CB 3.37Å; F461-F464 PolarHBondContact O-N 3.08Å; F461-F464 VanDerWaalsContact O-N 3.12Å; S462-F464 VanDerWaalsContact C-N 3.34Å; F464-L475 HydrophobicContact CB-CD1 4.42Å; F464-L475 HydrophobicContact CD1-CD1 3.9Å; F464-L475 HydrophobicContact CD1-CD2 4.09Å; F464-L475 HydrophobicContact CD1-CG 3.93Å; F464-L475 HydrophobicContact CE1-CD2 4.13Å; F464-L475 HydrophobicContact CE1-CG 4.39Å; F464-C476 CarbonylContact C-O 3.46Å; F464-C476 VanDerWaalsContact CA-O 3.25Å; F464-C476 WeakPolarHBondContact CA-O 3.47Å; F464-W477 HydrophobicContact CD1-CE3 4.35Å; F464-W477 AromaticContact CD2-CE3 3.8Å; F464-W477 HydrophobicContact CD2-CE3 3.8Å; F464-W477 AromaticContact CD2-CZ3 3.77Å; F464-W477 HydrophobicContact CD2-CZ3 3.77Å; F464-W477 HydrophobicContact CE1-CE3 4.3Å; F464-W477 AromaticContact CE2-CE3 3.74Å; F464-W477 HydrophobicContact CE2-CE3 3.74Å; F464-W477 AromaticContact CE2-CZ3 3.71Å; F464-W477 HydrophobicContact CE2-CZ3 3.71Å; F464-W477 HydrophobicContact CG-CE3 4.15Å; F464-W477 HydrophobicContact CZ-CE3 4.03Å; F464-W477 HydrophobicContact CZ-CZ3 4.39Å |
| 465 | G | 97.3 | Very high | 93.8 | Very high | 26 Ų | 26 | 49 Ų | 49 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | -176.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | C476 | G465-C476 PolarHBondContact N-O 2.95Å; G465-C476 PolarHBondContact O-N 3.39Å |
| 466 | V | 97.4 | Very high | 93.9 | Very high | 23 Ų | 23 | 42.9 Ų | 42.9 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134.5 | 179 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | F211 G454 R455 A458 L473 A474 | F211-V466 HydrophobicContact CD2-CG2 4.37Å; F211-V466 HydrophobicContact CE2-CG1 4.24Å; F211-V466 HydrophobicContact CE2-CG2 3.77Å; G454-V466 WeakPolarHBondContact O-CG2 3.42Å; R455-V466 HydrophobicContact CG-CB 4.28Å; A458-V466 HydrophobicContact CB-CG2 3.87Å; V466-L473 HydrophobicContact CG1-CD1 3.21Å; V466-L473 HydrophobicContact CG1-CD2 4.23Å; V466-L473 HydrophobicContact CG1-CG 3.55Å; V466-A474 VanDerWaalsContact CA-O 3.27Å; V466-A474 WeakPolarHBondContact CA-O 3.45Å |
| 467 | V | 94.9 | Very high | 93.9 | Very high | 74 Ų | 74 | 38.3 Ų | 38.3 | 45% | 0.448 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.6 | 170.4 | 173.9 | 0 | 0 | 0 | 0 | 108.4 | A474 C476 | V467-A474 PolarHBondContact N-O 3.47Å; V467-A474 PolarHBondContact O-N 3.34Å; V467-C476 WeakPolarHBondContact CG2-SG 3.47Å |
| 468 | H | 93.1 | Very high | 93.9 | Very high | 94 Ų | 94 | 43.4 Ų | 43.4 | 44% | 0.435 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 143.3 | 176.2 | 68.9 | 87.8 | 0 | 0 | 0 | 110.5 | V451 R455 R472 L473 | V451-H468 HydrophobicContact CG2-CB 4.17Å; R455-H468 PolarHBondContact NH2-CD2 3.28Å; R455-H468 VanDerWaalsContact NH2-CD2 3.35Å; R455-H468 PolarHBondContact NH2-NE2 2.85Å; H468-R472 VanDerWaalsContact CA-O 3.29Å; H468-R472 WeakPolarHBondContact CA-O 3.29Å; H468-L473 HydrophobicContact CB-CD1 3.53Å |
| 469 | G | 89.4 | Confident | 93.7 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 32% | 0.32 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | 157 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G471 R472 | G469-G471 VanDerWaalsContact C-N 3.26Å; G469-G471 PolarHBondContact O-N 3.36Å; G469-R472 PolarHBondContact N-O 3.32Å; G469-R472 VanDerWaalsContact N-O 3.08Å; G469-R472 WeakPolarHBondContact O-CA 2.85Å; G469-R472 VanDerWaalsContact O-CB 3.27Å; G469-R472 WeakPolarHBondContact O-CB 2.98Å; G469-R472 PolarHBondContact O-N 2.96Å |
| 470 | D | 84.1 | Confident | 93.8 | Very high | 132 Ų | 132 | 48.5 Ų | 48.5 | 71% | 0.706 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 36 | 178.3 | -54.9 | -43.7 | 0 | 0 | 0 | 114.5 | R472 | D470-R472 VanDerWaalsContact C-N 3.35Å; D470-R472 WeakPolarHBondContact O-CG 3.49Å |
| 471 | G | 86.7 | Confident | 93.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 25.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R444 E445 M446 G469 V487 | R444-G471 VanDerWaalsContact O-CA 3.24Å; R444-G471 WeakPolarHBondContact O-CA 3.31Å; E445-G471 PolarHBondContact OE1-N 2.99Å; M446-G471 WeakPolarHBondContact CE-O 3.21Å; G469-G471 VanDerWaalsContact C-N 3.26Å; G469-G471 PolarHBondContact O-N 3.36Å; G471-V487 PolarHBondContact O-N 2.94Å |
| 472 | R | 91.2 | Very high | 94.1 | Very high | 18 Ų | 18 | 43 Ų | 43 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 151.8 | -174.5 | -49.3 | 171.1 | 49.1 | 106.6 | 4.8 | 111.9 | E356 E358 R361 H468 G469 D470 S484 V485 S486 | E356-R472 IonicContact OE2-CZ 3.25Å; E356-R472 IonicContact OE2-NH1 3.63Å; E356-R472 PolarHBondContact OE2-NH1 3.45Å; E356-R472 IonicContact OE2-NH2 3.18Å; E358-R472 IonicContact OE2-NH2 2.66Å; E358-R472 PolarHBondContact OE2-NH2 3.36Å; R361-R472 VanDerWaalsContact CD-NH1 3.33Å; R361-R472 VanDerWaalsContact CZ-NE 3.34Å; R361-R472 VanDerWaalsContact CZ-NH2 3.32Å; R361-R472 VanDerWaalsContact NH1-NE 3.13Å; H468-R472 VanDerWaalsContact CA-O 3.29Å; H468-R472 WeakPolarHBondContact CA-O 3.29Å; G469-R472 PolarHBondContact N-O 3.32Å; G469-R472 VanDerWaalsContact N-O 3.08Å; G469-R472 WeakPolarHBondContact O-CA 2.85Å; G469-R472 VanDerWaalsContact O-CB 3.27Å; G469-R472 WeakPolarHBondContact O-CB 2.98Å; G469-R472 PolarHBondContact O-N 2.96Å; D470-R472 VanDerWaalsContact C-N 3.35Å; D470-R472 WeakPolarHBondContact O-CG 3.49Å; R472-S484 PolarHBondContact NH2-OG 3.11Å; R472-V485 WeakPolarHBondContact CA-O 3.45Å; R472-S486 WeakPolarHBondContact CG-OG 3.25Å; R472-S486 PolarHBondContact NH1-OG 3.09Å |
| 473 | L | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 121.5 | 169.4 | -162.6 | 64.4 | 0 | 0 | 0 | 109 | F211 T215 M446 S450 V451 V466 H468 S484 V485 | F211-L473 HydrophobicContact CE2-CD2 4.1Å; F211-L473 HydrophobicContact CE2-CG 4.15Å; F211-L473 HydrophobicContact CZ-CB 4.26Å; F211-L473 HydrophobicContact CZ-CD2 4.16Å; F211-L473 HydrophobicContact CZ-CG 3.85Å; T215-L473 HydrophobicContact CG2-CB 4.09Å; T215-L473 HydrophobicContact CG2-CD2 3.66Å; T215-L473 HydrophobicContact CG2-CG 4.45Å; M446-L473 HydrophobicContact CG-CB 4.09Å; M446-L473 HydrophobicContact SD-CB 4.42Å; S450-L473 WeakPolarHBondContact O-CD2 3.38Å; V451-L473 HydrophobicContact CB-CD1 4.43Å; V451-L473 HydrophobicContact CG2-CD1 3.9Å; V466-L473 HydrophobicContact CG1-CD1 3.21Å; V466-L473 HydrophobicContact CG1-CD2 4.23Å; V466-L473 HydrophobicContact CG1-CG 3.55Å; H468-L473 HydrophobicContact CB-CD1 3.53Å; L473-S484 WeakPolarHBondContact O-CA 3.3Å; L473-V485 PolarHBondContact N-O 3.32Å; L473-V485 PolarHBondContact O-N 2.99Å |
| 474 | A | 96.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V466 V467 P481 T483 S484 | V466-A474 VanDerWaalsContact CA-O 3.27Å; V466-A474 WeakPolarHBondContact CA-O 3.45Å; V467-A474 PolarHBondContact N-O 3.47Å; V467-A474 PolarHBondContact O-N 3.34Å; A474-P481 HydrophobicContact CB-CB 3.88Å; A474-T483 CarbonylContact C-O 3.57Å; A474-T483 VanDerWaalsContact CA-O 3.31Å; A474-T483 WeakPolarHBondContact CA-O 3.21Å; A474-S484 WeakPolarHBondContact CB-OG 3.48Å |
| 475 | L | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 130 | 168.1 | -177.5 | 70 | 0 | 0 | 0 | 108.4 | P207 F208 F211 A458 F464 L482 T483 | P207-L475 HydrophobicContact CB-CD1 4.49Å; P207-L475 HydrophobicContact CB-CD2 4.09Å; P207-L475 HydrophobicContact CG-CD2 4.01Å; F208-L475 HydrophobicContact CD1-CD2 4.02Å; F208-L475 HydrophobicContact CE1-CD2 4.36Å; F211-L475 HydrophobicContact CB-CB 4.46Å; F211-L475 HydrophobicContact CB-CD1 4.4Å; F211-L475 HydrophobicContact CB-CD2 4.1Å; F211-L475 HydrophobicContact CD1-CB 3.6Å; F211-L475 HydrophobicContact CD2-CB 4.06Å; F211-L475 HydrophobicContact CD2-CD1 4.03Å; F211-L475 HydrophobicContact CE1-CB 3.73Å; F211-L475 HydrophobicContact CE2-CB 4.17Å; F211-L475 HydrophobicContact CG-CB 3.76Å; F211-L475 HydrophobicContact CG-CD1 4.18Å; F211-L475 HydrophobicContact CG-CD2 4.29Å; F211-L475 HydrophobicContact CG-CG 4.3Å; F211-L475 HydrophobicContact CZ-CB 4.01Å; F211-L475 VanDerWaalsContact CZ-N 3.32Å; A458-L475 HydrophobicContact CB-CD1 4.15Å; F464-L475 HydrophobicContact CB-CD1 4.42Å; F464-L475 HydrophobicContact CD1-CD1 3.9Å; F464-L475 HydrophobicContact CD1-CD2 4.09Å; F464-L475 HydrophobicContact CD1-CG 3.93Å; F464-L475 HydrophobicContact CE1-CD2 4.13Å; F464-L475 HydrophobicContact CE1-CG 4.39Å; L475-L482 PolarHBondContact O-N 3.45Å; L475-T483 HydrophobicContact CB-CG2 3.83Å; L475-T483 HydrophobicContact CD2-CG2 4.07Å; L475-T483 PolarHBondContact N-O 2.78Å |
| 476 | C | 97.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 145.2 | -175.7 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | F464 G465 V467 R480 P481 | F464-C476 CarbonylContact C-O 3.46Å; F464-C476 VanDerWaalsContact CA-O 3.25Å; F464-C476 WeakPolarHBondContact CA-O 3.47Å; G465-C476 PolarHBondContact N-O 2.95Å; G465-C476 PolarHBondContact O-N 3.39Å; V467-C476 WeakPolarHBondContact CG2-SG 3.47Å; C476-R480 CarbonylContact C-O 3.59Å; C476-R480 WeakPolarHBondContact CA-O 3.42Å; C476-R480 WeakPolarHBondContact CB-O 3.38Å; C476-P481 VanDerWaalsContact SG-CA 3.55Å |
| 477 | W | 97.8 | Very high | 94.1 | Very high | 11 Ų | 11 | 34 Ų | 34 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119 | 163.8 | 176.3 | -108 | 0 | 0 | 0 | 109.1 | E390 S391 S394 S462 F464 S479 R480 L482 | E390-W477 HydrophobicContact CB-CZ2 4.47Å; E390-W477 HydrophobicContact CG-CZ2 3.9Å; E390-W477 PolarHBondContact OE2-NE1 3Å; S391-W477 VanDerWaalsContact CB-CD2 3.43Å; S391-W477 VanDerWaalsContact CB-CE3 3.43Å; S394-W477 VanDerWaalsContact CB-CH2 3.41Å; S462-W477 WeakPolarHBondContact O-CZ3 3.41Å; F464-W477 HydrophobicContact CD1-CE3 4.35Å; F464-W477 AromaticContact CD2-CE3 3.8Å; F464-W477 HydrophobicContact CD2-CE3 3.8Å; F464-W477 AromaticContact CD2-CZ3 3.77Å; F464-W477 HydrophobicContact CD2-CZ3 3.77Å; F464-W477 HydrophobicContact CE1-CE3 4.3Å; F464-W477 AromaticContact CE2-CE3 3.74Å; F464-W477 HydrophobicContact CE2-CE3 3.74Å; F464-W477 AromaticContact CE2-CZ3 3.71Å; F464-W477 HydrophobicContact CE2-CZ3 3.71Å; F464-W477 HydrophobicContact CG-CE3 4.15Å; F464-W477 HydrophobicContact CZ-CE3 4.03Å; F464-W477 HydrophobicContact CZ-CZ3 4.39Å; W477-S479 PolarHBondContact O-N 3.4Å; W477-S479 VanDerWaalsContact O-N 3.11Å; W477-R480 PolarHBondContact N-O 2.79Å; W477-R480 WeakPolarHBondContact O-CB 3.42Å; W477-R480 PolarHBondContact O-N 3.07Å; W477-L482 HydrophobicContact CB-CD1 3.6Å; W477-L482 HydrophobicContact CB-CG 4.16Å |
| 478 | K | 94.8 | Very high | 94.1 | Very high | 125 Ų | 125 | 32.4 Ų | 32.4 | 54% | 0.543 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 44.1 | -178.5 | -62.1 | 178.9 | 177 | 176.4 | 0 | 113.4 | E390 G463 R480 | E390-K478 VanDerWaalsContact CD-NZ 3.32Å; E390-K478 IonicContact OE1-NZ 2.59Å; E390-K478 PolarHBondContact OE1-NZ 3.49Å; E390-K478 IonicContact OE2-NZ 3.38Å; E390-K478 PolarHBondContact OE2-NZ 3.37Å; G463-K478 PolarHBondContact O-N 3.23Å; K478-R480 VanDerWaalsContact C-N 3.31Å; K478-R480 PolarHBondContact O-N 3.36Å |
| 479 | S | 92.2 | Very high | 94.2 | Very high | 106 Ų | 106 | 29.1 Ų | 29.1 | 74% | 0.741 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | -2.8 | -177.2 | -36.6 | 0 | 0 | 0 | 0 | 116.9 | W477 P481 | W477-S479 PolarHBondContact O-N 3.4Å; W477-S479 VanDerWaalsContact O-N 3.11Å; S479-P481 WeakPolarHBondContact O-CD 3.43Å |
| 480 | R | 94.4 | Very high | 94.4 | Very high | 64 Ų | 64 | 28.3 Ų | 28.3 | 24% | 0.242 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 120.5 | 170.2 | -172.8 | 179.1 | -159.4 | 88.4 | -2.3 | 110.1 | E380 Q383 C476 W477 K478 L482 | E380-R480 IonicContact OE1-CZ 3.22Å; E380-R480 IonicContact OE1-NH2 3.47Å; E380-R480 PolarHBondContact OE1-NH2 3.49Å; E380-R480 IonicContact OE2-NH2 3.91Å; E380-R480 PolarHBondContact OE2-NH2 2.94Å; Q383-R480 VanDerWaalsContact OE1-NH2 3.15Å; C476-R480 CarbonylContact C-O 3.59Å; C476-R480 WeakPolarHBondContact CA-O 3.42Å; C476-R480 WeakPolarHBondContact CB-O 3.38Å; W477-R480 PolarHBondContact N-O 2.79Å; W477-R480 WeakPolarHBondContact O-CB 3.42Å; W477-R480 PolarHBondContact O-N 3.07Å; K478-R480 VanDerWaalsContact C-N 3.31Å; K478-R480 PolarHBondContact O-N 3.36Å; R480-L482 HydrophobicContact CG-CD2 4.43Å |
| 481 | P | 95.5 | Very high | 94.7 | Very high | 39 Ų | 39 | 26 Ų | 26 | 25% | 0.253 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 137.2 | 173.1 | -13.7 | 27.9 | 0 | 0 | 0 | 111.3 | E358 A474 C476 S479 | E358-P481 HydrophobicContact CG-CB 3.98Å; A474-P481 HydrophobicContact CB-CB 3.88Å; C476-P481 VanDerWaalsContact SG-CA 3.55Å; S479-P481 WeakPolarHBondContact O-CD 3.43Å |
| 482 | L | 95.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | -45.8 | -178.2 | -59.3 | -175.5 | 0 | 0 | 0 | 112.2 | F208 E358 H384 A387 V388 L475 W477 R480 | F208-L482 HydrophobicContact CE1-CB 3.91Å; F208-L482 HydrophobicContact CE1-CD1 3.74Å; F208-L482 HydrophobicContact CZ-CD1 3.73Å; E358-L482 WeakPolarHBondContact CB-O 3.41Å; E358-L482 PolarHBondContact N-O 3.08Å; H384-L482 PolarHBondContact CE1-O 3.4Å; A387-L482 HydrophobicContact CB-CD2 3.84Å; V388-L482 HydrophobicContact CG2-CD1 4.23Å; V388-L482 HydrophobicContact CG2-CD2 4.16Å; L475-L482 PolarHBondContact O-N 3.45Å; W477-L482 HydrophobicContact CB-CD1 3.6Å; W477-L482 HydrophobicContact CB-CG 4.16Å; R480-L482 HydrophobicContact CG-CD2 4.43Å |
| 483 | T | 95.2 | Very high | 94.4 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 147 | 174.8 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | F208 F211 E356 A474 L475 | F208-T483 HydrophobicContact CD1-CG2 3.89Å; F211-T483 HydrophobicContact CD1-CG2 4.19Å; E356-T483 WeakPolarHBondContact O-CA 3.43Å; E356-T483 PolarHBondContact O-OG1 2.99Å; A474-T483 CarbonylContact C-O 3.57Å; A474-T483 VanDerWaalsContact CA-O 3.31Å; A474-T483 WeakPolarHBondContact CA-O 3.21Å; L475-T483 HydrophobicContact CB-CG2 3.83Å; L475-T483 HydrophobicContact CD2-CG2 4.07Å; L475-T483 PolarHBondContact N-O 2.78Å |
| 484 | S | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138.5 | -172.5 | -74.8 | 0 | 0 | 0 | 0 | 111.4 | T355 E356 E358 R472 L473 A474 | T355-S484 WeakPolarHBondContact CA-O 3.46Å; E356-S484 PolarHBondContact N-O 2.95Å; E356-S484 PolarHBondContact O-N 3.08Å; E358-S484 PolarHBondContact OE2-OG 3.21Å; R472-S484 PolarHBondContact NH2-OG 3.11Å; L473-S484 WeakPolarHBondContact O-CA 3.3Å; A474-S484 WeakPolarHBondContact CB-OG 3.48Å |
| 485 | V | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.2 | 167.8 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | F211 A212 T215 A216 V353 T354 T355 M446 R472 L473 | F211-V485 HydrophobicContact CE1-CG2 4.24Å; A212-V485 HydrophobicContact CB-CG2 4.45Å; T215-V485 HydrophobicContact CG2-CB 3.77Å; T215-V485 HydrophobicContact CG2-CG1 3.86Å; T215-V485 HydrophobicContact CG2-CG2 4.17Å; A216-V485 HydrophobicContact CB-CG1 4.43Å; V353-V485 HydrophobicContact CG1-CG1 3.85Å; T354-V485 WeakPolarHBondContact O-CA 3.49Å; T355-V485 HydrophobicContact CG2-CG2 4.34Å; M446-V485 WeakPolarHBondContact CE-O 3.44Å; R472-V485 WeakPolarHBondContact CA-O 3.45Å; L473-V485 PolarHBondContact N-O 3.32Å; L473-V485 PolarHBondContact O-N 2.99Å |
| 486 | S | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 144 | 177.1 | -46 | 0 | 0 | 0 | 0 | 109.5 | T354 R472 | T354-S486 PolarHBondContact N-O 2.6Å; T354-S486 PolarHBondContact O-N 3.15Å; T354-S486 PolarHBondContact OG1-O 3.39Å; R472-S486 WeakPolarHBondContact CG-OG 3.25Å; R472-S486 PolarHBondContact NH1-OG 3.09Å |
| 487 | V | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.1 | -179.5 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | A219 L351 V352 V353 A443 R444 M446 G471 | A219-V487 HydrophobicContact CB-CG1 4.38Å; A219-V487 HydrophobicContact CB-CG2 3.37Å; L351-V487 HydrophobicContact CD1-CG1 3.41Å; L351-V487 VanDerWaalsContact CD1-CG1 3.41Å; L351-V487 HydrophobicContact CG-CG1 4.18Å; V352-V487 CarbonylContact O-C 3.58Å; V353-V487 HydrophobicContact CG1-CG2 4.39Å; V353-V487 HydrophobicContact CG2-CG2 4.38Å; A443-V487 CarbonylContact C-O 3.56Å; A443-V487 WeakPolarHBondContact CA-O 3.09Å; R444-V487 HydrophobicContact CB-CB 4.43Å; R444-V487 HydrophobicContact CB-CG1 4.1Å; R444-V487 PolarHBondContact N-O 3.35Å; M446-V487 HydrophobicContact CE-CB 3.79Å; M446-V487 HydrophobicContact CE-CG2 3.37Å; M446-V487 HydrophobicContact SD-CG2 3.86Å; G471-V487 PolarHBondContact O-N 2.94Å |
| 488 | W | 95.2 | Very high | 93.4 | Very high | 41 Ų | 41 | 52.9 Ų | 52.9 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.4 | -173.5 | -45.5 | 82.1 | 0 | 0 | 0 | 110.7 | L351 V352 T354 L438 F441 R442 A443 | L351-W488 WeakPolarHBondContact CA-O 3.29Å; V352-W488 HydrophobicContact CB-CB 4.15Å; V352-W488 PolarHBondContact N-O 3.34Å; V352-W488 PolarHBondContact O-N 2.99Å; T354-W488 PolarHBondContact OG1-NE1 2.94Å; L438-W488 HydrophobicContact CD1-CB 3.84Å; L438-W488 HydrophobicContact CD1-CD2 3.75Å; L438-W488 HydrophobicContact CD1-CE3 4.37Å; L438-W488 HydrophobicContact CD1-CG 3.47Å; L438-W488 VanDerWaalsContact CD1-CG 3.47Å; F441-W488 HydrophobicContact CB-CB 4.2Å; F441-W488 HydrophobicContact CD1-CB 4.15Å; R442-W488 VanDerWaalsContact O-CA 3.32Å; R442-W488 WeakPolarHBondContact O-CA 3.37Å; A443-W488 HydrophobicContact CB-CE3 4.12Å; A443-W488 HydrophobicContact CB-CZ3 4.07Å |
| 489 | T | 94.6 | Very high | 93.3 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 15% | 0.147 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.4 | 178.4 | 51.4 | 0 | 0 | 0 | 0 | 110.7 | L351 F441 R442 R444 | L351-T489 HydrophobicContact CD1-CG2 3.79Å; F441-T489 CarbonylContact C-O 3.57Å; F441-T489 VanDerWaalsContact CA-O 3.29Å; F441-T489 WeakPolarHBondContact CA-O 3.36Å; F441-T489 VanDerWaalsContact CD1-C 3.42Å; R442-T489 PolarHBondContact N-O 3.45Å; R442-T489 PolarHBondContact O-N 2.92Å; R444-T489 HydrophobicContact CB-CG2 4.17Å; R444-T489 HydrophobicContact CG-CG2 4.42Å |
| 490 | P | 93.4 | Very high | 93.3 | Very high | 15 Ų | 15 | 43.3 Ų | 43.3 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 142.1 | 175.5 | -24.8 | 33 | 0 | 0 | 0 | 112.5 | P349 K350 G440 F441 W492 | P349-P490 WeakPolarHBondContact O-CG 3.27Å; K350-P490 VanDerWaalsContact O-CD 3.22Å; K350-P490 WeakPolarHBondContact O-CD 3.25Å; G440-P490 CarbonylContact O-C 3.57Å; G440-P490 WeakPolarHBondContact O-CA 3.15Å; F441-P490 HydrophobicContact CD1-CG 4.38Å; F441-P490 HydrophobicContact CE1-CG 3.73Å; F441-P490 HydrophobicContact CZ-CG 3.88Å; P490-W492 HydrophobicContact CB-CD2 4.44Å; P490-W492 HydrophobicContact CB-CH2 4.36Å; P490-W492 HydrophobicContact CB-CZ2 3.95Å; P490-W492 HydrophobicContact CG-CZ2 4.1Å |
| 491 | V | 90.1 | Very high | 93.2 | Very high | 84 Ų | 84 | 41.6 Ų | 41.6 | 51% | 0.509 | 19% | 0.192 | S | C | . | . | trans | -86 | 112.9 | 165.8 | -174.6 | 0 | 0 | 0 | 0 | 106.8 | G440 R442 | G440-V491 PolarHBondContact O-N 2.67Å; R442-V491 HydrophobicContact CB-CG2 3.82Å; R442-V491 HydrophobicContact CG-CG2 3.94Å | ||
| 492 | W | 77.5 | Confident | 93 | Very high | 285 Ų | 285 | 41.8 Ų | 41.8 | 100% | 1.08 | 19% | 0.187 | S | C | * | . | trans | -87 | 0 | 178.5 | -58.2 | 107.3 | 0 | 0 | 0 | 112.3 | P490 | P490-W492 HydrophobicContact CB-CD2 4.44Å; P490-W492 HydrophobicContact CB-CH2 4.36Å; P490-W492 HydrophobicContact CB-CZ2 3.95Å; P490-W492 HydrophobicContact CG-CZ2 4.1Å |
Retrieved 492 of 492 residues in 200.8 ms
(Link to these results)