| 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 | 35.5 | Very low | 31.2 | Very low | 241 Ų | 241 | 162.2 Ų | 162.2 | 100% | 1.187 | 81% | 0.814 | S | S | * | * | 0 | 115.6 | 0 | -93.7 | 169 | 169.9 | 0 | 0 | 108.4 | |||||
| 2 | K | 35.3 | Very low | 31.4 | Very low | 198 Ų | 198 | 157.8 Ų | 157.8 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -72.4 | 138.4 | 161.5 | -74 | 175 | 172.1 | 177.3 | 0 | 108 | ||||
| 3 | I | 32.3 | Very low | 31.7 | Very low | 166 Ų | 166 | 156.4 Ų | 156.4 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -141.7 | 119.3 | 144 | -51.4 | 179.9 | 0 | 0 | 0 | 107.3 | ||||
| 4 | N | 28.9 | Very low | 32.3 | Very low | 131 Ų | 131 | 158.9 Ų | 158.9 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | -100.5 | 171.3 | 172.2 | -89.4 | -19.7 | 0 | 0 | 0 | 109.6 | ||||
| 5 | L | 29.2 | Very low | 33.2 | Very low | 148 Ų | 148 | 156.7 Ų | 156.7 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | 90.4 | 134.3 | 159.4 | -61.3 | 127 | 0 | 0 | 0 | 115.2 | ||||
| 6 | W | 27.6 | Very low | 34.5 | Very low | 222 Ų | 222 | 155.9 Ų | 155.9 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | cis | -158.6 | 151.3 | 19.5 | -157.2 | -61.2 | 0 | 0 | 0 | 111.1 | ||||
| 7 | N | 33.4 | Very low | 36.7 | Very low | 144 Ų | 144 | 149 Ų | 149 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -39.7 | 149 | 164.2 | -70.3 | -25.1 | 0 | 0 | 0 | 116.2 | ||||
| 8 | G | 27.1 | Very low | 39.4 | Very low | 78 Ų | 78 | 141.8 Ų | 141.8 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -132.7 | 100.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 9 | S | 30.2 | Very low | 42.1 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 58% | 0.58 | 70% | 0.701 | S | S | * | * | trans | -44.7 | 130.9 | 174.8 | -54.3 | 0 | 0 | 0 | 0 | 112.6 | D11 | S9-D11 VanDerWaalsContact CB-CG 3.44Å; S9-D11 WeakPolarHBondContact CB-OD1 3.37Å; S9-D11 WeakPolarHBondContact CB-OD2 3.47Å; S9-D11 PolarHBondContact O-N 2.9Å | ||
| 10 | R | 32.1 | Very low | 44.5 | Very low | 260 Ų | 260 | 131.4 Ų | 131.4 | 98% | 0.981 | 68% | 0.677 | S | S | * | * | trans | -82.8 | 86.3 | 148.7 | -72.9 | -175.8 | -173.1 | 174.5 | 2.3 | 106 | V12 | R10-V12 PolarHBondContact O-N 3.28Š| ||
| 11 | D | 31.2 | Very low | 46.7 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 60% | 0.604 | 65% | 0.645 | S | S | * | * | trans | -65.6 | 119.1 | -178.6 | -80 | -43.3 | 0 | 0 | 0 | 111.7 | S9 T13 | S9-D11 VanDerWaalsContact CB-CG 3.44Å; S9-D11 WeakPolarHBondContact CB-OD1 3.37Å; S9-D11 WeakPolarHBondContact CB-OD2 3.47Å; S9-D11 PolarHBondContact O-N 2.9Å; D11-T13 PolarHBondContact O-N 3.38Å | ||
| 12 | V | 33.9 | Very low | 49.4 | Very low | 109 Ų | 109 | 117 Ų | 117 | 66% | 0.661 | 60% | 0.604 | S | S | * | * | 42.7 | 47.4 | 118.9 | -154.5 | 0 | 0 | 0 | 0 | 118.2 | R10 I15 | R10-V12 PolarHBondContact O-N 3.28Å; V12-I15 HydrophobicContact CG1-CD1 3.79Å; V12-I15 HydrophobicContact CG1-CG1 4.48Å | |||
| 13 | T | 35.5 | Very low | 52.1 | Low | 140 Ų | 140 | 109.8 Ų | 109.8 | 86% | 0.859 | 57% | 0.572 | S | S | * | * | trans | -106.2 | 16 | 160.1 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | D11 I15 | D11-T13 PolarHBondContact O-N 3.38Å; T13-I15 VanDerWaalsContact C-N 3.3Å; T13-I15 PolarHBondContact O-N 3.15Å | ||
| 14 | E | 39.6 | Very low | 54.9 | Low | 191 Ų | 191 | 101.9 Ų | 101.9 | 89% | 0.893 | 53% | 0.531 | S | S | * | . | trans | -95.4 | 37.4 | 179.9 | -152.4 | 172.2 | -155.3 | 0 | 0 | 112 | ||||
| 15 | I | 46.3 | Very low | 57.8 | Low | 127 Ų | 127 | 97 Ų | 97 | 65% | 0.651 | 50% | 0.504 | S | S | * | . | trans | -131.3 | 131.7 | 178.4 | -55.4 | 178.7 | 0 | 0 | 0 | 107 | V12 T13 | V12-I15 HydrophobicContact CG1-CD1 3.79Å; V12-I15 HydrophobicContact CG1-CG1 4.48Å; T13-I15 VanDerWaalsContact C-N 3.3Å; T13-I15 PolarHBondContact O-N 3.15Å | ||
| 16 | M | 53.4 | Low | 60.7 | Low | 143 Ų | 143 | 95.8 Ų | 95.8 | 70% | 0.704 | 50% | 0.495 | S | S | * | . | trans | 91.3 | 51.1 | -178.9 | -43.9 | -165.2 | 88.4 | 0 | 0 | 116.7 | ||||
| 17 | S | 73.1 | Confident | 63.6 | Low | 39 Ų | 39 | 87.8 Ų | 87.8 | 27% | 0.273 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -82.6 | 4 | 160.9 | -73.2 | 0 | 0 | 0 | 0 | 113.7 | R126 F133 Y134 | S17-R126 PolarHBondContact OG-NH1 3.26Å; S17-R126 VanDerWaalsContact OG-NH1 3.08Å; S17-R126 PolarHBondContact OG-NH2 3Å; S17-F133 WeakPolarHBondContact O-CA 3.25Å; S17-Y134 WeakPolarHBondContact O-CD1 2.82Å; S17-Y134 WeakPolarHBondContact O-CE1 3.43Å; S17-Y134 PolarHBondContact O-N 3.41Å |
| 18 | S | 84.2 | Confident | 66.1 | Low | 20 Ų | 20 | 81.8 Ų | 81.8 | 14% | 0.14 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 156.7 | -169.6 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | Y134 E136 | S18-Y134 CarbonylContact C-O 3.36Å; S18-Y134 WeakPolarHBondContact CA-O 3.27Å; S18-Y134 VanDerWaalsContact CB-CE1 3.5Å; S18-Y134 WeakPolarHBondContact CB-OH 3.19Å; S18-E136 WeakPolarHBondContact CB-OE1 3.4Å; S18-E136 PolarHBondContact OG-OE1 3.38Å |
| 19 | K | 90.2 | Very high | 68.9 | Low | 42 Ų | 42 | 83.9 Ų | 83.9 | 18% | 0.183 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.1 | 173.3 | -67.5 | -61.1 | -165.4 | 167.2 | 0 | 108.6 | W23 L99 F133 Y134 L135 E136 | K19-W23 HydrophobicContact CB-CD2 4.15Å; K19-W23 HydrophobicContact CB-CE3 3.51Å; K19-W23 HydrophobicContact CB-CZ3 3.93Å; K19-W23 HydrophobicContact CD-CD2 3.6Å; K19-W23 HydrophobicContact CD-CE3 3.69Å; K19-W23 HydrophobicContact CD-CG 4.16Å; K19-W23 HydrophobicContact CD-CH2 4.18Å; K19-W23 HydrophobicContact CD-CZ2 4.1Å; K19-W23 HydrophobicContact CD-CZ3 3.99Å; K19-W23 HydrophobicContact CG-CD2 4.08Å; K19-W23 HydrophobicContact CG-CE3 3.61Å; K19-W23 HydrophobicContact CG-CH2 4.15Å; K19-W23 HydrophobicContact CG-CZ3 3.65Å; K19-L99 HydrophobicContact CB-CD1 3.86Å; K19-L99 HydrophobicContact CG-CD1 3.91Å; K19-F133 HydrophobicContact CG-CB 4.03Å; K19-F133 HydrophobicContact CG-CG 4.34Å; K19-Y134 PolarHBondContact N-O 3.19Å; K19-L135 WeakPolarHBondContact O-CA 3.45Å; K19-E136 PolarHBondContact O-N 3.32Å |
| 20 | S | 90.8 | Very high | 71.1 | Confident | 33 Ų | 33 | 82.8 Ų | 82.8 | 23% | 0.231 | 42% | 0.416 | C | S | . | . | trans | -78.1 | 163.9 | 178 | 84.2 | 0 | 0 | 0 | 0 | 110.8 | E22 W23 L24 | S20-E22 VanDerWaalsContact C-N 3.3Å; S20-E22 WeakPolarHBondContact CB-OE2 3.44Å; S20-E22 PolarHBondContact OG-OE2 3.24Å; S20-W23 PolarHBondContact O-N 3.11Å; S20-W23 PolarHBondContact OG-N 3.32Å; S20-L24 PolarHBondContact O-N 2.98Å | ||
| 21 | V | 91.1 | Very high | 72.5 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.1 | -33.8 | 178.5 | -67.7 | 0 | 0 | 0 | 0 | 111.8 | L24 Q25 L135 E136 K141 F142 E145 Y146 | V21-L24 PolarHBondContact O-N 2.98Å; V21-Q25 PolarHBondContact O-N 3.5Å; V21-L135 HydrophobicContact CG1-CD1 4.01Å; V21-L135 HydrophobicContact CG1-CD2 4.47Å; V21-L135 HydrophobicContact CG1-CG 4.19Å; V21-E136 WeakPolarHBondContact CG1-O 3Å; V21-K141 HydrophobicContact CG1-CB 4.21Å; V21-K141 HydrophobicContact CG1-CD 4Å; V21-K141 HydrophobicContact CG1-CG 4.07Å; V21-K141 HydrophobicContact CG2-CD 3.94Å; V21-K141 HydrophobicContact CG2-CG 4.18Å; V21-F142 HydrophobicContact CB-CD2 3.93Å; V21-F142 HydrophobicContact CG1-CB 3.94Å; V21-F142 HydrophobicContact CG1-CD2 4.09Å; V21-E145 VanDerWaalsContact CG2-OE2 3.27Å; V21-E145 WeakPolarHBondContact CG2-OE2 3.48Å; V21-Y146 HydrophobicContact CB-CD2 4.4Å; V21-Y146 HydrophobicContact CB-CE2 4.07Å; V21-Y146 HydrophobicContact CG2-CE2 4.04Å |
| 22 | E | 91.6 | Very high | 73.5 | Confident | 69 Ų | 69 | 74.5 Ų | 74.5 | 32% | 0.322 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 175.7 | -49.8 | 77.6 | -173.9 | 0 | 0 | 110.2 | S20 L24 Q25 E26 K141 Y146 | S20-E22 VanDerWaalsContact C-N 3.3Å; S20-E22 WeakPolarHBondContact CB-OE2 3.44Å; S20-E22 PolarHBondContact OG-OE2 3.24Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 3.29Å; E22-Q25 PolarHBondContact O-N 2.87Å; E22-Q25 PolarHBondContact O-OE1 2.84Å; E22-E26 PolarHBondContact O-N 3.25Å; E22-E26 VanDerWaalsContact O-N 3.08Å; E22-K141 IonicContact OE1-NZ 2.7Å; E22-Y146 WeakPolarHBondContact CG-OH 3.41Å |
| 23 | W | 92.1 | Very high | 74.4 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 18% | 0.178 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 175.1 | 176 | 82.6 | 0 | 0 | 0 | 112.5 | K19 S20 E26 E27 L37 M97 L99 | K19-W23 HydrophobicContact CB-CD2 4.15Å; K19-W23 HydrophobicContact CB-CE3 3.51Å; K19-W23 HydrophobicContact CB-CZ3 3.93Å; K19-W23 HydrophobicContact CD-CD2 3.6Å; K19-W23 HydrophobicContact CD-CE3 3.69Å; K19-W23 HydrophobicContact CD-CG 4.16Å; K19-W23 HydrophobicContact CD-CH2 4.18Å; K19-W23 HydrophobicContact CD-CZ2 4.1Å; K19-W23 HydrophobicContact CD-CZ3 3.99Å; K19-W23 HydrophobicContact CG-CD2 4.08Å; K19-W23 HydrophobicContact CG-CE3 3.61Å; K19-W23 HydrophobicContact CG-CH2 4.15Å; K19-W23 HydrophobicContact CG-CZ3 3.65Å; S20-W23 PolarHBondContact O-N 3.11Å; S20-W23 PolarHBondContact OG-N 3.32Å; W23-E26 PolarHBondContact O-N 3.39Å; W23-E27 HydrophobicContact CD2-CG 4.15Å; W23-E27 HydrophobicContact CE3-CG 4.37Å; W23-E27 HydrophobicContact CH2-CG 3.78Å; W23-E27 HydrophobicContact CZ2-CG 3.49Å; W23-E27 VanDerWaalsContact CZ2-CG 3.49Å; W23-E27 HydrophobicContact CZ3-CG 4.2Å; W23-E27 PolarHBondContact O-N 3.03Å; W23-E27 VanDerWaalsContact O-N 3.16Å; W23-L37 HydrophobicContact CH2-CD1 4.43Å; W23-M97 HydrophobicContact CH2-SD 3.44Å; W23-M97 WeakPolarHBondContact CH2-SD 3.23Å; W23-M97 HydrophobicContact CZ2-CE 4.37Å; W23-M97 HydrophobicContact CZ2-SD 3.82Å; W23-M97 HydrophobicContact CZ3-SD 4.49Å; W23-L99 HydrophobicContact CZ3-CD2 4.17Å |
| 24 | L | 91.6 | Very high | 75.4 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 179.1 | 175.2 | 56.9 | 0 | 0 | 0 | 111 | S20 V21 E22 E27 L28 L37 L39 I53 L99 L135 F142 | S20-L24 PolarHBondContact O-N 2.98Å; V21-L24 PolarHBondContact O-N 2.98Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 3.29Å; L24-E27 PolarHBondContact O-N 3.08Å; L24-L28 HydrophobicContact CD1-CD1 4.24Å; L24-L28 HydrophobicContact CD1-CG 4.14Å; L24-L28 HydrophobicContact CG-CD1 4.15Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 3.22Å; L24-L37 HydrophobicContact CD1-CD2 3.72Å; L24-L39 HydrophobicContact CD1-CD2 3.89Å; L24-L39 HydrophobicContact CD2-CD2 4.27Å; L24-I53 HydrophobicContact CD2-CD1 3.82Å; L24-L99 HydrophobicContact CB-CD2 4.44Å; L24-L99 HydrophobicContact CD1-CD2 3.74Å; L24-L99 HydrophobicContact CD2-CD2 3.87Å; L24-L99 HydrophobicContact CG-CD2 4.24Å; L24-L135 HydrophobicContact CB-CD1 3.99Å; L24-L135 HydrophobicContact CD2-CD1 3.79Å; L24-L135 HydrophobicContact CD2-CD2 3.76Å; L24-L135 HydrophobicContact CD2-CG 4.41Å; L24-F142 HydrophobicContact CB-CD2 4.4Å; L24-F142 HydrophobicContact CB-CE2 3.93Å; L24-F142 HydrophobicContact CD2-CD2 3.79Å; L24-F142 HydrophobicContact CD2-CE2 3.59Å; L24-F142 HydrophobicContact CD2-CG 4.46Å; L24-F142 HydrophobicContact CD2-CZ 4.1Å; L24-F142 HydrophobicContact CG-CD2 4.26Å; L24-F142 HydrophobicContact CG-CE2 3.63Å; L24-F142 HydrophobicContact CG-CZ 4.15Å |
| 25 | Q | 90.4 | Very high | 76.4 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 176.4 | 171.4 | -92.5 | -6.7 | 0 | 0 | 111.6 | V21 E22 E27 L28 E29 F142 Y146 | V21-Q25 PolarHBondContact O-N 3.5Å; E22-Q25 PolarHBondContact O-N 2.87Å; E22-Q25 PolarHBondContact O-OE1 2.84Å; Q25-E27 VanDerWaalsContact C-N 3.28Å; Q25-E27 PolarHBondContact O-N 3.19Å; Q25-L28 PolarHBondContact O-N 2.84Å; Q25-L28 VanDerWaalsContact O-N 3.13Å; Q25-E29 PolarHBondContact NE2-OE1 3Å; Q25-E29 PolarHBondContact NE2-OE2 2.88Å; Q25-E29 PolarHBondContact O-N 3.24Å; Q25-F142 HydrophobicContact CB-CE2 4.44Å; Q25-Y146 HydrophobicContact CB-CD1 3.9Å; Q25-Y146 HydrophobicContact CB-CD2 4.08Å; Q25-Y146 HydrophobicContact CB-CE1 3.92Å; Q25-Y146 HydrophobicContact CB-CE2 4.14Å; Q25-Y146 HydrophobicContact CB-CG 3.97Å; Q25-Y146 HydrophobicContact CG-CD1 3.56Å; Q25-Y146 HydrophobicContact CG-CE1 3.66Å; Q25-Y146 HydrophobicContact CG-CG 4.08Å |
| 26 | E | 88.9 | Confident | 78.1 | Confident | 122 Ų | 122 | 57.3 Ų | 57.3 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -57.4 | -40.8 | 176.3 | -71.1 | 179.5 | 173.8 | 0 | 0 | 112.2 | E22 W23 S30 | E22-E26 PolarHBondContact O-N 3.25Å; E22-E26 VanDerWaalsContact O-N 3.08Å; W23-E26 PolarHBondContact O-N 3.39Å; E26-S30 VanDerWaalsContact O-CB 3.31Å; E26-S30 WeakPolarHBondContact O-CB 3.21Å; E26-S30 PolarHBondContact O-N 3.19Å |
| 27 | E | 88.6 | Confident | 79.7 | Confident | 53 Ų | 53 | 51 Ų | 51 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.3 | -38 | 177.4 | -77.4 | -68.9 | 151.5 | 0 | 0 | 112.9 | W23 L24 Q25 S30 G33 L37 | W23-E27 HydrophobicContact CD2-CG 4.15Å; W23-E27 HydrophobicContact CE3-CG 4.37Å; W23-E27 HydrophobicContact CH2-CG 3.78Å; W23-E27 HydrophobicContact CZ2-CG 3.49Å; W23-E27 VanDerWaalsContact CZ2-CG 3.49Å; W23-E27 HydrophobicContact CZ3-CG 4.2Å; W23-E27 PolarHBondContact O-N 3.03Å; W23-E27 VanDerWaalsContact O-N 3.16Å; L24-E27 PolarHBondContact O-N 3.08Å; Q25-E27 VanDerWaalsContact C-N 3.28Å; Q25-E27 PolarHBondContact O-N 3.19Å; E27-S30 PolarHBondContact O-OG 3.41Å; E27-G33 WeakPolarHBondContact OE2-CA 3.06Å; E27-L37 HydrophobicContact CB-CD2 4.43Å |
| 28 | L | 86.6 | Confident | 80.6 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 176.7 | -69.4 | 173.1 | 0 | 0 | 0 | 111.6 | L24 Q25 V34 L39 I53 F142 H149 | L24-L28 HydrophobicContact CD1-CD1 4.24Å; L24-L28 HydrophobicContact CD1-CG 4.14Å; L24-L28 HydrophobicContact CG-CD1 4.15Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 3.22Å; Q25-L28 PolarHBondContact O-N 2.84Å; Q25-L28 VanDerWaalsContact O-N 3.13Å; L28-V34 HydrophobicContact CD2-CG2 4.43Å; L28-L39 HydrophobicContact CD2-CD1 4.3Å; L28-I53 HydrophobicContact CD1-CG2 4.17Å; L28-F142 HydrophobicContact CD1-CZ 3.75Å; L28-H149 HydrophobicContact CD1-CB 3.95Å |
| 29 | E | 84.6 | Confident | 80.9 | Confident | 122 Ų | 122 | 48.5 Ų | 48.5 | 57% | 0.57 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -73.7 | -31.3 | 179.2 | -71.8 | -172.1 | 169.8 | 0 | 0 | 113.7 | Q25 G31 | Q25-E29 PolarHBondContact NE2-OE1 3Å; Q25-E29 PolarHBondContact NE2-OE2 2.88Å; Q25-E29 PolarHBondContact O-N 3.24Å; E29-G31 PolarHBondContact O-N 2.83Å |
| 30 | S | 77.4 | Confident | 81 | Confident | 60 Ų | 60 | 46.5 Ų | 46.5 | 42% | 0.42 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.2 | -176.2 | 72.4 | 0 | 0 | 0 | 0 | 114.2 | E26 E27 L32 G33 | E26-S30 VanDerWaalsContact O-CB 3.31Å; E26-S30 WeakPolarHBondContact O-CB 3.21Å; E26-S30 PolarHBondContact O-N 3.19Å; E27-S30 PolarHBondContact O-OG 3.41Å; S30-L32 PolarHBondContact O-N 3.45Å; S30-G33 PolarHBondContact OG-N 3.43Å |
| 31 | G | 61.2 | Low | 81 | Confident | 50 Ų | 50 | 44.9 Ų | 44.9 | 52% | 0.515 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 65.7 | -24.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E29 | E29-G31 PolarHBondContact O-N 2.83Š|
| 32 | L | 53.3 | Low | 80.8 | Confident | 148 Ų | 148 | 46 Ų | 46 | 78% | 0.775 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -80.2 | -30.6 | 170.9 | -82.1 | 142.4 | 0 | 0 | 0 | 111.6 | S30 | S30-L32 PolarHBondContact O-N 3.45Š|
| 33 | G | 52.5 | Low | 80.5 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -68.5 | -41.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E27 S30 S35 S36 L37 | E27-G33 WeakPolarHBondContact OE2-CA 3.06Å; S30-G33 PolarHBondContact OG-N 3.43Å; G33-S35 PolarHBondContact O-N 3.1Å; G33-S35 VanDerWaalsContact O-N 3.1Å; G33-S36 CarbonylContact O-C 3.48Å; G33-S36 PolarHBondContact O-N 3.46Å; G33-L37 VanDerWaalsContact O-CB 3.24Å; G33-L37 WeakPolarHBondContact O-CB 3.4Å; G33-L37 PolarHBondContact O-N 3.24Å |
| 34 | V | 55.3 | Low | 80.1 | Confident | 54 Ų | 54 | 43.5 Ų | 43.5 | 33% | 0.327 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.6 | 179.7 | -168.3 | 0 | 0 | 0 | 0 | 112.5 | L28 S36 R92 | L28-V34 HydrophobicContact CD2-CG2 4.43Å; V34-S36 VanDerWaalsContact C-N 3.3Å; V34-S36 PolarHBondContact O-N 2.64Å; V34-R92 PolarHBondContact O-NH2 3.39Å |
| 35 | S | 61.8 | Low | 79.6 | Confident | 91 Ų | 91 | 47.8 Ų | 47.8 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -18.4 | 177.9 | -60.4 | 0 | 0 | 0 | 0 | 113.6 | G33 R92 | G33-S35 PolarHBondContact O-N 3.1Å; G33-S35 VanDerWaalsContact O-N 3.1Å; S35-R92 PolarHBondContact O-NH2 3.29Å; S35-R92 VanDerWaalsContact O-NH2 3.12Å |
| 36 | S | 81.3 | Confident | 79.2 | Confident | 60 Ų | 60 | 53.2 Ų | 53.2 | 42% | 0.42 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 10.1 | -178.1 | 69.5 | 0 | 0 | 0 | 0 | 114.6 | G33 V34 D96 M97 | G33-S36 CarbonylContact O-C 3.48Å; G33-S36 PolarHBondContact O-N 3.46Å; V34-S36 VanDerWaalsContact C-N 3.3Å; V34-S36 PolarHBondContact O-N 2.64Å; S36-D96 WeakPolarHBondContact CA-OD2 3.36Å; S36-D96 CarbonylContact O-C 3.41Å; S36-D96 WeakPolarHBondContact O-CA 3.24Å; S36-D96 WeakPolarHBondContact O-CB 3.31Å; S36-M97 PolarHBondContact O-N 3.38Å |
| 37 | L | 88.3 | Confident | 78.9 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 133.9 | 178.6 | -178.1 | 64.5 | 0 | 0 | 0 | 110.9 | W23 L24 E27 G33 L39 R92 M97 L99 | W23-L37 HydrophobicContact CH2-CD1 4.43Å; L24-L37 HydrophobicContact CD1-CD2 3.72Å; E27-L37 HydrophobicContact CB-CD2 4.43Å; G33-L37 VanDerWaalsContact O-CB 3.24Å; G33-L37 WeakPolarHBondContact O-CB 3.4Å; G33-L37 PolarHBondContact O-N 3.24Å; L37-L39 HydrophobicContact CD2-CD2 4.27Å; L37-L39 HydrophobicContact CD2-CG 4.29Å; L37-L39 HydrophobicContact CG-CD2 4.49Å; L37-L39 HydrophobicContact CG-CG 4.33Å; L37-R92 PolarHBondContact O-NH2 3.16Å; L37-M97 HydrophobicContact CD1-CB 4.27Å; L37-M97 HydrophobicContact CD1-CG 4.42Å; L37-L99 HydrophobicContact CD1-CB 3.99Å |
| 38 | L | 90.1 | Very high | 78.9 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 110.5 | 175.1 | -170.1 | 69.1 | 0 | 0 | 0 | 109.6 | L40 I57 F89 R92 C93 M97 V98 L99 | L38-L40 HydrophobicContact CD2-CD2 4.49Å; L38-L40 HydrophobicContact CG-CD2 4.32Å; L38-I57 HydrophobicContact CD1-CD1 3.78Å; L38-F89 HydrophobicContact CD2-CD2 3.65Å; L38-F89 HydrophobicContact CD2-CE2 4.21Å; L38-F89 HydrophobicContact CD2-CG 4.47Å; L38-R92 HydrophobicContact CD1-CB 4.48Å; L38-R92 HydrophobicContact CD2-CB 4.5Å; L38-C93 HydrophobicContact CD2-CB 4.39Å; L38-M97 PolarHBondContact N-O 3.33Å; L38-V98 HydrophobicContact CB-CG2 4.41Å; L38-V98 HydrophobicContact CD2-CG2 4.24Å; L38-V98 WeakPolarHBondContact O-CA 3.5Å; L38-L99 PolarHBondContact O-N 3.3Å |
| 39 | L | 92.5 | Very high | 78.9 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.7 | -179.9 | -70.7 | 168.5 | 0 | 0 | 0 | 111 | L24 L28 L37 I53 A56 I57 L99 | L24-L39 HydrophobicContact CD1-CD2 3.89Å; L24-L39 HydrophobicContact CD2-CD2 4.27Å; L28-L39 HydrophobicContact CD2-CD1 4.3Å; L37-L39 HydrophobicContact CD2-CD2 4.27Å; L37-L39 HydrophobicContact CD2-CG 4.29Å; L37-L39 HydrophobicContact CG-CD2 4.49Å; L37-L39 HydrophobicContact CG-CG 4.33Å; L39-I53 HydrophobicContact CD1-CB 4.49Å; L39-I53 HydrophobicContact CD1-CG2 3.75Å; L39-A56 HydrophobicContact CB-CB 3.86Å; L39-I57 PolarHBondContact O-N 3.24Å; L39-L99 HydrophobicContact CD2-CB 4.06Å; L39-L99 HydrophobicContact CD2-CD2 3.78Å; L39-L99 HydrophobicContact CD2-CG 4.31Å |
| 40 | L | 91.7 | Very high | 78.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 113 | 178.3 | -57.6 | -176.6 | 0 | 0 | 0 | 110.3 | L38 I57 L59 F89 V98 L99 L100 Y101 L125 | L38-L40 HydrophobicContact CD2-CD2 4.49Å; L38-L40 HydrophobicContact CG-CD2 4.32Å; L40-I57 WeakPolarHBondContact CA-O 3.35Å; L40-I57 HydrophobicContact CD2-CB 3.94Å; L40-I57 HydrophobicContact CD2-CD1 4.39Å; L40-I57 HydrophobicContact CD2-CG2 4.41Å; L40-L59 HydrophobicContact CB-CD1 3.91Å; L40-L59 HydrophobicContact CB-CG 4.1Å; L40-L59 HydrophobicContact CD1-CD1 4Å; L40-L59 HydrophobicContact CD2-CD2 4.26Å; L40-L59 HydrophobicContact CG-CD1 4.44Å; L40-F89 HydrophobicContact CD1-CE2 4.04Å; L40-F89 HydrophobicContact CD2-CD2 4.16Å; L40-F89 HydrophobicContact CD2-CE2 4.5Å; L40-V98 HydrophobicContact CD1-CG1 3.38Å; L40-V98 HydrophobicContact CG-CG1 3.9Å; L40-L99 PolarHBondContact N-O 3.19Å; L40-L100 HydrophobicContact CB-CG 4.22Å; L40-L100 HydrophobicContact CD1-CG 4.25Å; L40-L100 WeakPolarHBondContact O-CA 3.48Å; L40-Y101 PolarHBondContact O-N 3.36Å; L40-Y101 VanDerWaalsContact O-N 3.1Å; L40-L125 HydrophobicContact CD1-CD1 4.07Å |
| 41 | D | 91 | Very high | 79.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 115.6 | 173.7 | -169.1 | -32.2 | 0 | 0 | 0 | 109.4 | R43 Y48 A56 I57 L59 Y101 | D41-R43 WeakPolarHBondContact OD1-CA 3.32Å; D41-R43 WeakPolarHBondContact OD1-CB 3.41Å; D41-R43 WeakPolarHBondContact OD1-CG 3.44Å; D41-R43 PolarHBondContact OD1-N 2.94Å; D41-R43 IonicContact OD1-NE 3.07Å; D41-R43 PolarHBondContact OD1-NE 2.83Å; D41-R43 VanDerWaalsContact OD1-NE 3.15Å; D41-R43 IonicContact OD2-CZ 3.84Å; D41-R43 IonicContact OD2-NE 3.18Å; D41-R43 PolarHBondContact OD2-NE 3.19Å; D41-R43 IonicContact OD2-NH2 3.46Å; D41-R43 PolarHBondContact OD2-NH2 3.5Å; D41-Y48 HydrophobicContact CB-CD2 3.73Å; D41-Y48 HydrophobicContact CB-CE2 4.23Å; D41-Y48 WeakPolarHBondContact OD2-CD2 3.37Å; D41-A56 HydrophobicContact CB-CB 4.46Å; D41-I57 PolarHBondContact N-O 3.2Å; D41-L59 PolarHBondContact O-N 3.27Å; D41-Y101 HydrophobicContact CB-CE1 4.12Å; D41-Y101 HydrophobicContact CB-CE2 3.85Å; D41-Y101 WeakPolarHBondContact CB-OH 3.39Å; D41-Y101 WeakPolarHBondContact OD2-CE2 3.28Å; D41-Y101 PolarHBondContact OD2-OH 3.08Å |
| 42 | C | 86.9 | Confident | 80.9 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | trans | -93.4 | 6.4 | -178.8 | -58.3 | 0 | 0 | 0 | 0 | 113.7 | Y101 L118 L121 | C42-Y101 VanDerWaalsContact CB-O 3.27Å; C42-Y101 WeakPolarHBondContact CB-O 3.17Å; C42-Y101 PolarHBondContact N-O 2.95Å; C42-L118 HydrophobicContact CB-CD1 4.36Å; C42-L121 HydrophobicContact CB-CD1 4.42Å | ||
| 43 | R | 85.6 | Confident | 82.8 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 6% | 0.057 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -80 | 171.6 | -179.8 | -57.4 | 179.9 | -66.3 | 158.2 | 0.1 | 111.7 | D41 L47 S51 N58 E103 F139 | D41-R43 WeakPolarHBondContact OD1-CA 3.32Å; D41-R43 WeakPolarHBondContact OD1-CB 3.41Å; D41-R43 WeakPolarHBondContact OD1-CG 3.44Å; D41-R43 PolarHBondContact OD1-N 2.94Å; D41-R43 IonicContact OD1-NE 3.07Å; D41-R43 PolarHBondContact OD1-NE 2.83Å; D41-R43 VanDerWaalsContact OD1-NE 3.15Å; D41-R43 IonicContact OD2-CZ 3.84Å; D41-R43 IonicContact OD2-NE 3.18Å; D41-R43 PolarHBondContact OD2-NE 3.19Å; D41-R43 IonicContact OD2-NH2 3.46Å; D41-R43 PolarHBondContact OD2-NH2 3.5Å; R43-L47 HydrophobicContact CB-CB 4.06Å; R43-L47 HydrophobicContact CB-CD1 4.2Å; R43-S51 PolarHBondContact NH2-O 2.93Å; R43-N58 PolarHBondContact O-ND2 3.3Å; R43-N58 VanDerWaalsContact O-ND2 3.13Å; R43-E103 WeakPolarHBondContact CD-OE2 3.36Å; R43-E103 HydrophobicContact CG-CB 4.42Å; R43-E103 IonicContact NH1-OE2 3.35Å; R43-E103 PolarHBondContact NH1-OE2 3.25Å; R43-F139 VanDerWaalsContact CZ-CD1 3.5Å; R43-F139 VanDerWaalsContact CZ-CG 3.45Å; R43-F139 VanDerWaalsContact NH1-CE1 3.34Å |
| 44 | S | 82 | Confident | 84.5 | Confident | 48 Ų | 48 | 43 Ų | 43 | 34% | 0.336 | 24% | 0.238 | S | C | . | . | trans | -61.6 | 153 | 174.6 | 79.1 | 0 | 0 | 0 | 0 | 110.4 | E46 L47 Y48 | S44-E46 VanDerWaalsContact CB-OE2 3.29Å; S44-E46 WeakPolarHBondContact CB-OE2 3.49Å; S44-E46 PolarHBondContact O-N 3.09Å; S44-E46 PolarHBondContact OG-OE2 3.27Å; S44-L47 PolarHBondContact O-N 3Å; S44-L47 VanDerWaalsContact O-N 3.09Å; S44-L47 PolarHBondContact OG-N 2.9Å; S44-Y48 PolarHBondContact O-N 2.95Å | ||
| 45 | H | 82.6 | Confident | 85.9 | Confident | 90 Ų | 90 | 42.5 Ų | 42.5 | 42% | 0.417 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -56.7 | -35.6 | 177.5 | -177 | 62.5 | 0 | 0 | 0 | 111.6 | L47 Y48 E49 | H45-L47 VanDerWaalsContact C-N 3.35Å; H45-L47 PolarHBondContact O-N 3.01Å; H45-Y48 PolarHBondContact O-N 3.35Å; H45-E49 IonicContact CE1-OE1 3.08Å; H45-E49 PolarHBondContact CE1-OE1 3.4Å; H45-E49 IonicContact ND1-OE1 2.69Å; H45-E49 IonicContact NE2-OE1 3.97Å; H45-E49 WeakPolarHBondContact O-CB 3.39Å; H45-E49 VanDerWaalsContact O-CG 3.3Å; H45-E49 WeakPolarHBondContact O-CG 3.41Å; H45-E49 PolarHBondContact O-N 3.16Å |
| 46 | E | 80.7 | Confident | 87.3 | Confident | 143 Ų | 143 | 38.3 Ų | 38.3 | 67% | 0.668 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63.9 | -38.8 | 177.7 | -52.7 | 108.3 | 172.7 | 0 | 0 | 112.9 | S44 S50 | S44-E46 VanDerWaalsContact CB-OE2 3.29Å; S44-E46 WeakPolarHBondContact CB-OE2 3.49Å; S44-E46 PolarHBondContact O-N 3.09Å; S44-E46 PolarHBondContact OG-OE2 3.27Å; E46-S50 PolarHBondContact O-N 3.34Å |
| 47 | L | 84.1 | Confident | 87.7 | Confident | 67 Ų | 67 | 35.4 Ų | 35.4 | 35% | 0.351 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -70.8 | -43.3 | 178.6 | -69.1 | 171.1 | 0 | 0 | 0 | 110.9 | R43 S44 H45 S50 S51 | R43-L47 HydrophobicContact CB-CB 4.06Å; R43-L47 HydrophobicContact CB-CD1 4.2Å; S44-L47 PolarHBondContact O-N 3Å; S44-L47 VanDerWaalsContact O-N 3.09Å; S44-L47 PolarHBondContact OG-N 2.9Å; H45-L47 VanDerWaalsContact C-N 3.35Å; H45-L47 PolarHBondContact O-N 3.01Å; L47-S50 PolarHBondContact O-N 3.41Å; L47-S50 PolarHBondContact O-OG 2.76Å; L47-S51 PolarHBondContact O-N 2.72Å; L47-S51 VanDerWaalsContact O-N 3.14Å |
| 48 | Y | 87.1 | Confident | 87.8 | Confident | 30 Ų | 30 | 35.3 Ų | 35.3 | 12% | 0.118 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.9 | -49.4 | 174.6 | 174.7 | -90.1 | 0 | 0 | 0 | 112.1 | D41 S44 H45 S50 S51 H52 A56 N58 | D41-Y48 HydrophobicContact CB-CD2 3.73Å; D41-Y48 HydrophobicContact CB-CE2 4.23Å; D41-Y48 WeakPolarHBondContact OD2-CD2 3.37Å; S44-Y48 PolarHBondContact O-N 2.95Å; H45-Y48 PolarHBondContact O-N 3.35Å; Y48-S50 PolarHBondContact O-N 3.48Å; Y48-S51 CarbonylContact O-C 3.46Å; Y48-S51 PolarHBondContact O-N 2.75Å; Y48-H52 HydrophobicContact CD2-CB 3.46Å; Y48-H52 VanDerWaalsContact CD2-CB 3.46Å; Y48-H52 AromaticContact CD2-CG 3.61Å; Y48-H52 AromaticContact CE1-CE1 3.89Å; Y48-H52 AromaticContact CE1-ND1 3.96Å; Y48-H52 HydrophobicContact CE2-CB 3.69Å; Y48-H52 AromaticContact CE2-CD2 3.4Å; Y48-H52 VanDerWaalsContact CE2-CD2 3.4Å; Y48-H52 WeakPolarHBondContact CE2-CD2 3.3Å; Y48-H52 AromaticContact CE2-CG 3.41Å; Y48-H52 VanDerWaalsContact CE2-CG 3.41Å; Y48-H52 AromaticContact CE2-ND1 3.93Å; Y48-H52 AromaticContact CE2-NE2 3.92Å; Y48-H52 HydrophobicContact CG-CB 4.16Å; Y48-H52 AromaticContact CZ-CD2 3.55Å; Y48-H52 AromaticContact CZ-CE1 3.76Å; Y48-H52 AromaticContact CZ-CG 3.75Å; Y48-H52 AromaticContact CZ-ND1 3.86Å; Y48-H52 AromaticContact CZ-NE2 3.54Å; Y48-H52 PolarHBondContact O-ND1 2.91Å; Y48-H52 PolarHBondContact OH-NE2 2.58Å; Y48-A56 HydrophobicContact CE2-CB 4.43Å; Y48-A56 PolarHBondContact OH-O 3.02Å; Y48-N58 WeakPolarHBondContact CB-ND2 3.29Å; Y48-N58 HydrophobicContact CD1-CB 3.85Å; Y48-N58 HydrophobicContact CD2-CB 3.65Å; Y48-N58 HydrophobicContact CE1-CB 4.11Å; Y48-N58 HydrophobicContact CE2-CB 3.88Å; Y48-N58 HydrophobicContact CG-CB 3.62Å |
| 49 | E | 86.6 | Confident | 87.4 | Confident | 81 Ų | 81 | 35.2 Ų | 35.2 | 38% | 0.379 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62 | -32.5 | 179.2 | -74 | -64.2 | 137.4 | 0 | 0 | 112.5 | H45 N153 | H45-E49 IonicContact CE1-OE1 3.08Å; H45-E49 PolarHBondContact CE1-OE1 3.4Å; H45-E49 IonicContact ND1-OE1 2.69Å; H45-E49 IonicContact NE2-OE1 3.97Å; H45-E49 WeakPolarHBondContact O-CB 3.39Å; H45-E49 VanDerWaalsContact O-CG 3.3Å; H45-E49 WeakPolarHBondContact O-CG 3.41Å; H45-E49 PolarHBondContact O-N 3.16Å; E49-N153 WeakPolarHBondContact O-CB 3.31Å; E49-N153 PolarHBondContact O-ND2 3.06Å |
| 50 | S | 85.4 | Confident | 86.4 | Confident | 69 Ų | 69 | 37 Ų | 37 | 48% | 0.483 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -70.1 | -44.6 | 178 | 73.7 | 0 | 0 | 0 | 0 | 112.3 | E46 L47 Y48 | E46-S50 PolarHBondContact O-N 3.34Å; L47-S50 PolarHBondContact O-N 3.41Å; L47-S50 PolarHBondContact O-OG 2.76Å; Y48-S50 PolarHBondContact O-N 3.48Å |
| 51 | S | 88.5 | Confident | 85.2 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | 141.8 | 173.4 | -173.8 | 0 | 0 | 0 | 0 | 110 | R43 L47 Y48 F139 Q143 E151 T152 | R43-S51 PolarHBondContact NH2-O 2.93Å; L47-S51 PolarHBondContact O-N 2.72Å; L47-S51 VanDerWaalsContact O-N 3.14Å; Y48-S51 CarbonylContact O-C 3.46Å; Y48-S51 PolarHBondContact O-N 2.75Å; S51-F139 WeakPolarHBondContact OG-CZ 3.34Å; S51-Q143 PolarHBondContact OG-NE2 2.97Å; S51-E151 CarbonylContact C-O 3.34Å; S51-E151 WeakPolarHBondContact CA-O 3.37Å; S51-E151 WeakPolarHBondContact CB-O 3.41Å; S51-E151 PolarHBondContact OG-O 3.04Å; S51-T152 VanDerWaalsContact OG-CG2 3.26Å; S51-T152 WeakPolarHBondContact OG-CG2 3.34Å |
| 52 | H | 92.6 | Very high | 83.8 | Confident | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 164.6 | 177.5 | 56.8 | -82.9 | 0 | 0 | 0 | 110.7 | Y48 C150 E151 | Y48-H52 HydrophobicContact CD2-CB 3.46Å; Y48-H52 VanDerWaalsContact CD2-CB 3.46Å; Y48-H52 AromaticContact CD2-CG 3.61Å; Y48-H52 AromaticContact CE1-CE1 3.89Å; Y48-H52 AromaticContact CE1-ND1 3.96Å; Y48-H52 HydrophobicContact CE2-CB 3.69Å; Y48-H52 AromaticContact CE2-CD2 3.4Å; Y48-H52 VanDerWaalsContact CE2-CD2 3.4Å; Y48-H52 WeakPolarHBondContact CE2-CD2 3.3Å; Y48-H52 AromaticContact CE2-CG 3.41Å; Y48-H52 VanDerWaalsContact CE2-CG 3.41Å; Y48-H52 AromaticContact CE2-ND1 3.93Å; Y48-H52 AromaticContact CE2-NE2 3.92Å; Y48-H52 HydrophobicContact CG-CB 4.16Å; Y48-H52 AromaticContact CZ-CD2 3.55Å; Y48-H52 AromaticContact CZ-CE1 3.76Å; Y48-H52 AromaticContact CZ-CG 3.75Å; Y48-H52 AromaticContact CZ-ND1 3.86Å; Y48-H52 AromaticContact CZ-NE2 3.54Å; Y48-H52 PolarHBondContact O-ND1 2.91Å; Y48-H52 PolarHBondContact OH-NE2 2.58Å; H52-C150 CarbonylContact O-C 3.52Å; H52-C150 VanDerWaalsContact O-CA 3.25Å; H52-C150 WeakPolarHBondContact O-CA 3.39Å; H52-E151 IonicContact CE1-OE2 3.15Å; H52-E151 PolarHBondContact N-O 3.33Å; H52-E151 IonicContact NE2-OE2 3.07Å; H52-E151 PolarHBondContact NE2-OE2 3.41Å; H52-E151 PolarHBondContact O-N 3.14Å |
| 53 | I | 92.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 137.1 | 176 | -56 | 178.1 | 0 | 0 | 0 | 108.7 | L24 L28 L39 S55 A56 Y101 L135 F139 F142 | L24-I53 HydrophobicContact CD2-CD1 3.82Å; L28-I53 HydrophobicContact CD1-CG2 4.17Å; L39-I53 HydrophobicContact CD1-CB 4.49Å; L39-I53 HydrophobicContact CD1-CG2 3.75Å; I53-S55 PolarHBondContact O-N 2.98Å; I53-A56 WeakPolarHBondContact O-CB 3.38Å; I53-A56 PolarHBondContact O-N 2.93Å; I53-A56 VanDerWaalsContact O-N 3.11Å; I53-Y101 HydrophobicContact CB-CE1 4.3Å; I53-Y101 HydrophobicContact CD1-CD1 4.06Å; I53-Y101 HydrophobicContact CD1-CE1 3.81Å; I53-Y101 HydrophobicContact CD1-CE2 4.3Å; I53-Y101 HydrophobicContact CD1-CG 4.4Å; I53-Y101 HydrophobicContact CG1-CE1 4.18Å; I53-Y101 HydrophobicContact CG1-CE2 4.36Å; I53-Y101 PolarHBondContact N-OH 2.87Å; I53-Y101 VanDerWaalsContact N-OH 3.16Å; I53-L135 HydrophobicContact CD1-CD2 4.01Å; I53-F139 HydrophobicContact CD1-CD2 4.43Å; I53-F139 HydrophobicContact CG1-CD2 3.85Å; I53-F139 HydrophobicContact CG1-CE2 3.91Å; I53-F142 HydrophobicContact CD1-CB 4.37Å; I53-F142 HydrophobicContact CD1-CD1 3.55Å; I53-F142 HydrophobicContact CD1-CD2 4.48Å; I53-F142 HydrophobicContact CD1-CE1 3.92Å; I53-F142 HydrophobicContact CD1-CG 3.86Å; I53-F142 HydrophobicContact CG1-CD1 3.66Å; I53-F142 HydrophobicContact CG1-CE1 3.89Å; I53-F142 HydrophobicContact CG1-CG 4.45Å; I53-F142 HydrophobicContact CG2-CE1 3.98Å; I53-F142 HydrophobicContact CG2-CZ 4.44Å |
| 54 | E | 87.9 | Confident | 80.6 | Confident | 102 Ų | 102 | 46 Ų | 46 | 48% | 0.477 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 135.7 | -178.1 | -169.8 | -177 | 176.8 | 0 | 0 | 111.7 | A56 H149 E151 | E54-A56 PolarHBondContact O-N 3.27Å; E54-A56 VanDerWaalsContact O-N 3.15Å; E54-H149 PolarHBondContact N-O 3.09Å; E54-E151 WeakPolarHBondContact CA-OE1 3.33Å; E54-E151 HydrophobicContact CB-CG 4.29Å; E54-E151 HydrophobicContact CG-CG 4.26Å; E54-E151 WeakPolarHBondContact CG-OE1 3.33Å |
| 55 | S | 85.6 | Confident | 79.4 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 30% | 0.301 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 4.7 | 178.7 | 82.9 | 0 | 0 | 0 | 0 | 117.3 | I53 K88 E151 | I53-S55 PolarHBondContact O-N 2.98Å; S55-K88 PolarHBondContact O-NZ 2.83Å; S55-E151 PolarHBondContact N-OE1 2.81Å |
| 56 | A | 90.9 | Very high | 78.3 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 149.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L39 D41 Y48 I53 E54 Y101 | L39-A56 HydrophobicContact CB-CB 3.86Å; D41-A56 HydrophobicContact CB-CB 4.46Å; Y48-A56 HydrophobicContact CE2-CB 4.43Å; Y48-A56 PolarHBondContact OH-O 3.02Å; I53-A56 WeakPolarHBondContact O-CB 3.38Å; I53-A56 PolarHBondContact O-N 2.93Å; I53-A56 VanDerWaalsContact O-N 3.11Å; E54-A56 PolarHBondContact O-N 3.27Å; E54-A56 VanDerWaalsContact O-N 3.15Å; A56-Y101 HydrophobicContact CB-CE1 4.05Å; A56-Y101 VanDerWaalsContact CB-OH 3.29Å; A56-Y101 WeakPolarHBondContact CB-OH 3.31Å |
| 57 | I | 89.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123 | 175.6 | -62.6 | 172.7 | 0 | 0 | 0 | 108.7 | L38 L39 L40 D41 L59 I80 D85 K88 F89 | L38-I57 HydrophobicContact CD1-CD1 3.78Å; L39-I57 PolarHBondContact O-N 3.24Å; L40-I57 WeakPolarHBondContact CA-O 3.35Å; L40-I57 HydrophobicContact CD2-CB 3.94Å; L40-I57 HydrophobicContact CD2-CD1 4.39Å; L40-I57 HydrophobicContact CD2-CG2 4.41Å; D41-I57 PolarHBondContact N-O 3.2Å; I57-L59 PolarHBondContact O-N 2.78Å; I57-I80 HydrophobicContact CG2-CD1 4.46Å; I57-I80 HydrophobicContact CG2-CG1 4.32Å; I57-I80 HydrophobicContact CG2-CG2 3.87Å; I57-D85 HydrophobicContact CB-CB 4.48Å; I57-D85 HydrophobicContact CD1-CB 4.16Å; I57-D85 HydrophobicContact CG1-CB 4.04Å; I57-D85 HydrophobicContact CG2-CB 3.75Å; I57-K88 HydrophobicContact CD1-CD 4.24Å; I57-K88 HydrophobicContact CD1-CG 4.46Å; I57-F89 HydrophobicContact CD1-CB 4.43Å |
| 58 | N | 89.6 | Confident | 76.1 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.032 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 120.2 | 172.9 | -172.9 | -115.2 | 0 | 0 | 0 | 111.7 | R43 Y48 T60 P81 | R43-N58 PolarHBondContact O-ND2 3.3Å; R43-N58 VanDerWaalsContact O-ND2 3.13Å; Y48-N58 WeakPolarHBondContact CB-ND2 3.29Å; Y48-N58 HydrophobicContact CD1-CB 3.85Å; Y48-N58 HydrophobicContact CD2-CB 3.65Å; Y48-N58 HydrophobicContact CE1-CB 4.11Å; Y48-N58 HydrophobicContact CE2-CB 3.88Å; Y48-N58 HydrophobicContact CG-CB 3.62Å; N58-T60 PolarHBondContact O-N 3.28Å; N58-T60 PolarHBondContact OD1-OG1 2.9Å; N58-P81 VanDerWaalsContact O-CD 3.31Å; N58-P81 WeakPolarHBondContact O-CD 3.18Å |
| 59 | L | 83.2 | Confident | 75 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | trans | -88.6 | 87.8 | 167.8 | -62.6 | -174.2 | 0 | 0 | 0 | 108.5 | L40 D41 I57 I61 I76 I79 I80 L121 | L40-L59 HydrophobicContact CB-CD1 3.91Å; L40-L59 HydrophobicContact CB-CG 4.1Å; L40-L59 HydrophobicContact CD1-CD1 4Å; L40-L59 HydrophobicContact CD2-CD2 4.26Å; L40-L59 HydrophobicContact CG-CD1 4.44Å; D41-L59 PolarHBondContact O-N 3.27Å; I57-L59 PolarHBondContact O-N 2.78Å; L59-I61 PolarHBondContact O-N 3.38Å; L59-I76 HydrophobicContact CD2-CG2 4.41Å; L59-I79 HydrophobicContact CB-CD1 4.17Å; L59-I79 HydrophobicContact CD1-CD1 4.23Å; L59-I79 HydrophobicContact CD2-CD1 4.19Å; L59-I79 HydrophobicContact CD2-CG1 4.31Å; L59-I79 HydrophobicContact CG-CD1 4.45Å; L59-I80 HydrophobicContact CD2-CD1 4.39Å; L59-I80 HydrophobicContact CD2-CG1 3.72Å; L59-L121 HydrophobicContact CD1-CD1 4.31Å | ||
| 60 | T | 69.7 | Low | 73.8 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | trans | -70.1 | 108.8 | 172.3 | -45 | 0 | 0 | 0 | 0 | 108.4 | N58 P62 I79 P81 | N58-T60 PolarHBondContact O-N 3.28Å; N58-T60 PolarHBondContact OD1-OG1 2.9Å; T60-P62 VanDerWaalsContact C-CD 3.48Å; T60-P62 WeakPolarHBondContact O-CD 3.45Å; T60-I79 PolarHBondContact N-O 2.91Å; T60-I79 WeakPolarHBondContact O-CB 3.33Å; T60-P81 WeakPolarHBondContact OG1-CG 3.42Å | ||
| 61 | I | 67.9 | Low | 72.7 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | trans | -105.9 | 90.2 | 174.9 | -55.6 | 168.7 | 0 | 0 | 0 | 108.2 | L59 G63 L66 I79 V117 L121 | L59-I61 PolarHBondContact O-N 3.38Å; I61-G63 PolarHBondContact O-N 2.96Å; I61-G63 VanDerWaalsContact O-N 3.16Å; I61-L66 HydrophobicContact CG2-CD2 3.58Å; I61-L66 HydrophobicContact CG2-CG 3.8Å; I61-I79 HydrophobicContact CD1-CD1 4.06Å; I61-I79 HydrophobicContact CG1-CB 4.31Å; I61-I79 HydrophobicContact CG1-CD1 3.76Å; I61-I79 HydrophobicContact CG1-CG2 4.37Å; I61-V117 HydrophobicContact CD1-CG1 3.78Å; I61-L121 HydrophobicContact CD1-CD1 3.47Å; I61-L121 VanDerWaalsContact CD1-CD1 3.47Å; I61-L121 HydrophobicContact CD1-CD2 3.82Å; I61-L121 HydrophobicContact CD1-CG 4.08Å | ||
| 62 | P | 60.5 | Low | 71.4 | Confident | 56 Ų | 56 | 53 Ų | 53 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | trans | -54.4 | 125.6 | 165.3 | -18.5 | 27.3 | 0 | 0 | 0 | 107.4 | T60 L64 M65 | T60-P62 VanDerWaalsContact C-CD 3.48Å; T60-P62 WeakPolarHBondContact O-CD 3.45Å; P62-L64 PolarHBondContact O-N 2.97Å; P62-M65 HydrophobicContact CB-SD 4.44Å; P62-M65 HydrophobicContact CG-SD 3.96Å; P62-M65 WeakPolarHBondContact O-CA 3.47Å; P62-M65 VanDerWaalsContact O-CB 3.25Å; P62-M65 WeakPolarHBondContact O-CB 3.38Å; P62-M65 PolarHBondContact O-N 2.87Å | ||
| 63 | G | 56.1 | Low | 70 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -0.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | I61 M65 L66 F335 | I61-G63 PolarHBondContact O-N 2.96Å; I61-G63 VanDerWaalsContact O-N 3.16Å; G63-M65 PolarHBondContact O-N 2.85Å; G63-L66 WeakPolarHBondContact O-CB 3.41Å; G63-L66 PolarHBondContact O-N 2.93Å; G63-F335 VanDerWaalsContact N-CE2 3.31Å |
| 64 | L | 49.9 | Very low | 68.8 | Low | 133 Ų | 133 | 58.2 Ų | 58.2 | 70% | 0.696 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -30.6 | 156.9 | -64.3 | 177.4 | 0 | 0 | 0 | 111.7 | P62 F335 | P62-L64 PolarHBondContact O-N 2.97Å; L64-F335 HydrophobicContact CG-CD2 4.48Å |
| 65 | M | 56.3 | Low | 68.1 | Low | 33 Ų | 33 | 55.1 Ų | 55.1 | 16% | 0.163 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -14.1 | -179.9 | -60.6 | 177.7 | 72.6 | 0 | 0 | 112.8 | P62 G63 R67 R68 L69 L74 I79 | P62-M65 HydrophobicContact CB-SD 4.44Å; P62-M65 HydrophobicContact CG-SD 3.96Å; P62-M65 WeakPolarHBondContact O-CA 3.47Å; P62-M65 VanDerWaalsContact O-CB 3.25Å; P62-M65 WeakPolarHBondContact O-CB 3.38Å; P62-M65 PolarHBondContact O-N 2.87Å; G63-M65 PolarHBondContact O-N 2.85Å; M65-R67 VanDerWaalsContact C-N 3.34Å; M65-R67 PolarHBondContact O-N 3.49Å; M65-R68 CarbonylContact O-C 3.57Å; M65-R68 WeakPolarHBondContact O-CA 3.42Å; M65-R68 WeakPolarHBondContact O-CB 3.32Å; M65-R68 PolarHBondContact O-N 3.1Å; M65-L69 PolarHBondContact O-N 3.36Å; M65-L74 HydrophobicContact CB-CD1 4.19Å; M65-L74 HydrophobicContact CB-CD2 3.79Å; M65-L74 HydrophobicContact CE-CD1 3.21Å; M65-L74 HydrophobicContact CE-CD2 4.08Å; M65-L74 HydrophobicContact CE-CG 4.08Å; M65-L74 HydrophobicContact CG-CD1 4.41Å; M65-I79 HydrophobicContact CE-CG2 3.7Å; M65-I79 HydrophobicContact SD-CG2 4.33Å |
| 66 | L | 60.8 | Low | 67.6 | Low | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 174.5 | -73.3 | 174.1 | 0 | 0 | 0 | 112.9 | I61 G63 R68 L69 K70 V117 W265 | I61-L66 HydrophobicContact CG2-CD2 3.58Å; I61-L66 HydrophobicContact CG2-CG 3.8Å; G63-L66 WeakPolarHBondContact O-CB 3.41Å; G63-L66 PolarHBondContact O-N 2.93Å; L66-R68 PolarHBondContact O-N 3.18Å; L66-L69 HydrophobicContact CD2-CD2 4.08Å; L66-L69 PolarHBondContact O-N 2.7Å; L66-K70 WeakPolarHBondContact O-CB 3.2Å; L66-K70 WeakPolarHBondContact O-CG 3.46Å; L66-K70 PolarHBondContact O-N 3.2Å; L66-V117 HydrophobicContact CD1-CG2 4.06Å; L66-V117 HydrophobicContact CD2-CB 4.27Å; L66-V117 HydrophobicContact CD2-CG1 3.8Å; L66-V117 HydrophobicContact CD2-CG2 3.47Å; L66-V117 VanDerWaalsContact CD2-CG2 3.47Å; L66-V117 HydrophobicContact CG-CG2 4.42Å; L66-W265 HydrophobicContact CD1-CD2 3.16Å; L66-W265 VanDerWaalsContact CD1-CE2 3.44Å; L66-W265 HydrophobicContact CD1-CE3 3.4Å; L66-W265 VanDerWaalsContact CD1-CE3 3.4Å; L66-W265 HydrophobicContact CD1-CG 3.63Å; L66-W265 HydrophobicContact CD1-CH2 4.23Å; L66-W265 HydrophobicContact CD1-CZ2 4.04Å; L66-W265 HydrophobicContact CD1-CZ3 3.92Å |
| 67 | R | 59.1 | Low | 66.8 | Low | 192 Ų | 192 | 59.7 Ų | 59.7 | 73% | 0.725 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.7 | -32.9 | 171.6 | -71.7 | -178 | 177.3 | 169.1 | 0.2 | 111.8 | M65 K71 | M65-R67 VanDerWaalsContact C-N 3.34Å; M65-R67 PolarHBondContact O-N 3.49Å; R67-K71 WeakPolarHBondContact O-CB 3.49Å; R67-K71 VanDerWaalsContact O-CG 3.26Å; R67-K71 WeakPolarHBondContact O-CG 3.33Å; R67-K71 PolarHBondContact O-N 2.92Å |
| 68 | R | 58.6 | Low | 66 | Low | 125 Ų | 125 | 62.2 Ų | 62.2 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -76.1 | -37.3 | 175.8 | -64.3 | 178.3 | 60 | -177.2 | -2.1 | 111.6 | M65 L66 K71 G72 N73 L74 | M65-R68 CarbonylContact O-C 3.57Å; M65-R68 WeakPolarHBondContact O-CA 3.42Å; M65-R68 WeakPolarHBondContact O-CB 3.32Å; M65-R68 PolarHBondContact O-N 3.1Å; L66-R68 PolarHBondContact O-N 3.18Å; R68-K71 CarbonylContact O-C 3.15Å; R68-K71 PolarHBondContact O-N 2.98Å; R68-G72 PolarHBondContact O-N 2.83Å; R68-G72 VanDerWaalsContact O-N 3.14Å; R68-N73 PolarHBondContact NH2-O 3.31Å; R68-N73 PolarHBondContact O-N 2.84Å; R68-L74 HydrophobicContact CB-CB 4.12Å; R68-L74 HydrophobicContact CB-CD1 4.17Å |
| 69 | L | 64.3 | Low | 65.3 | Low | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 174.5 | -172 | 68.9 | 0 | 0 | 0 | 111.1 | M65 L66 K71 G72 L74 I76 L120 L121 K124 | M65-L69 PolarHBondContact O-N 3.36Å; L66-L69 HydrophobicContact CD2-CD2 4.08Å; L66-L69 PolarHBondContact O-N 2.7Å; L69-K71 PolarHBondContact O-N 3.07Å; L69-G72 PolarHBondContact O-N 3.36Å; L69-L74 HydrophobicContact CB-CB 4.43Å; L69-L74 HydrophobicContact CB-CD2 4.13Å; L69-L74 HydrophobicContact CD1-CB 4.4Å; L69-L74 HydrophobicContact CD1-CD2 4.34Å; L69-I76 HydrophobicContact CD1-CD1 4.43Å; L69-L120 HydrophobicContact CD2-CB 3.9Å; L69-L120 HydrophobicContact CG-CB 4.15Å; L69-L121 HydrophobicContact CD1-CD2 4.09Å; L69-L121 HydrophobicContact CD2-CD2 3.78Å; L69-L121 HydrophobicContact CD2-CG 4.03Å; L69-K124 HydrophobicContact CD1-CB 4.49Å; L69-K124 HydrophobicContact CD1-CG 4.44Å |
| 70 | K | 61.2 | Low | 65.1 | Low | 120 Ų | 120 | 62.5 Ų | 62.5 | 52% | 0.522 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.6 | -30.3 | 174.2 | -75 | -177.8 | 179 | -169 | 0 | 113.5 | L66 G72 L120 | L66-K70 WeakPolarHBondContact O-CB 3.2Å; L66-K70 WeakPolarHBondContact O-CG 3.46Å; L66-K70 PolarHBondContact O-N 3.2Å; K70-G72 VanDerWaalsContact C-N 3.33Å; K70-L120 HydrophobicContact CD-CD1 4.4Å; K70-L120 HydrophobicContact CG-CD1 3.5Å; K70-L120 VanDerWaalsContact CG-CD1 3.5Å |
| 71 | K | 62.3 | Low | 65.1 | Low | 165 Ų | 165 | 64.5 Ų | 64.5 | 72% | 0.717 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 3 | 175.3 | -69.7 | 179.4 | 179.7 | -170.7 | 0 | 113.2 | R67 R68 L69 N73 | R67-K71 WeakPolarHBondContact O-CB 3.49Å; R67-K71 VanDerWaalsContact O-CG 3.26Å; R67-K71 WeakPolarHBondContact O-CG 3.33Å; R67-K71 PolarHBondContact O-N 2.92Å; R68-K71 CarbonylContact O-C 3.15Å; R68-K71 PolarHBondContact O-N 2.98Å; L69-K71 PolarHBondContact O-N 3.07Å; K71-N73 PolarHBondContact O-N 3.29Å |
| 72 | G | 60.7 | Low | 65.5 | Low | 33 Ų | 33 | 66.3 Ų | 66.3 | 34% | 0.34 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -0.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | R68 L69 K70 L74 K124 | R68-G72 PolarHBondContact O-N 2.83Å; R68-G72 VanDerWaalsContact O-N 3.14Å; L69-G72 PolarHBondContact O-N 3.36Å; K70-G72 VanDerWaalsContact C-N 3.33Å; G72-L74 PolarHBondContact O-N 2.86Å; G72-K124 PolarHBondContact O-NZ 2.96Å |
| 73 | N | 63.1 | Low | 66.3 | Low | 116 Ų | 116 | 69.2 Ų | 69.2 | 62% | 0.62 | 34% | 0.341 | S | S | * | . | trans | -98.3 | 31.4 | -169.2 | -70.4 | -14 | 0 | 0 | 0 | 113.5 | R68 K71 | R68-N73 PolarHBondContact NH2-O 3.31Å; R68-N73 PolarHBondContact O-N 2.84Å; K71-N73 PolarHBondContact O-N 3.29Å | ||
| 74 | L | 67.9 | Low | 67.5 | Low | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | trans | -127.9 | 113.5 | 179 | -164.5 | 72 | 0 | 0 | 0 | 111.1 | M65 R68 L69 G72 I79 K124 | M65-L74 HydrophobicContact CB-CD1 4.19Å; M65-L74 HydrophobicContact CB-CD2 3.79Å; M65-L74 HydrophobicContact CE-CD1 3.21Å; M65-L74 HydrophobicContact CE-CD2 4.08Å; M65-L74 HydrophobicContact CE-CG 4.08Å; M65-L74 HydrophobicContact CG-CD1 4.41Å; R68-L74 HydrophobicContact CB-CB 4.12Å; R68-L74 HydrophobicContact CB-CD1 4.17Å; L69-L74 HydrophobicContact CB-CB 4.43Å; L69-L74 HydrophobicContact CB-CD2 4.13Å; L69-L74 HydrophobicContact CD1-CB 4.4Å; L69-L74 HydrophobicContact CD1-CD2 4.34Å; G72-L74 PolarHBondContact O-N 2.86Å; L74-I79 HydrophobicContact CD2-CG2 3.65Å; L74-I79 HydrophobicContact CG-CG2 4.37Å; L74-K124 WeakPolarHBondContact O-CE 3.44Å | ||
| 75 | P | 72.8 | Confident | 69.2 | Low | 36 Ų | 36 | 70.9 Ų | 70.9 | 23% | 0.234 | 34% | 0.344 | C | S | . | . | trans | -77.3 | 133.6 | 173.8 | 30.6 | -31.6 | 0 | 0 | 0 | 110.2 | R77 S78 | P75-R77 HydrophobicContact CB-CG 4.09Å; P75-R77 PolarHBondContact O-N 2.9Å; P75-S78 WeakPolarHBondContact O-CB 3.33Å; P75-S78 PolarHBondContact O-N 3.34Å; P75-S78 PolarHBondContact O-OG 3.47Å | ||
| 76 | I | 74.8 | Confident | 70.4 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -59.8 | -32.3 | -175.8 | -59.8 | -61.7 | 0 | 0 | 0 | 112.4 | L59 L69 S78 I79 F89 L121 K124 L125 | L59-I76 HydrophobicContact CD2-CG2 4.41Å; L69-I76 HydrophobicContact CD1-CD1 4.43Å; I76-S78 PolarHBondContact O-N 3.28Å; I76-I79 HydrophobicContact CD1-CD1 4.05Å; I76-I79 HydrophobicContact CG2-CD1 4.2Å; I76-I79 HydrophobicContact CG2-CG1 4.27Å; I76-I79 WeakPolarHBondContact O-CG1 3.48Å; I76-I79 PolarHBondContact O-N 2.83Å; I76-I79 VanDerWaalsContact O-N 3.1Å; I76-F89 HydrophobicContact CB-CE1 4.25Å; I76-F89 HydrophobicContact CB-CZ 4Å; I76-F89 HydrophobicContact CG2-CE1 4.05Å; I76-F89 HydrophobicContact CG2-CE2 3.99Å; I76-F89 HydrophobicContact CG2-CZ 3.55Å; I76-L121 HydrophobicContact CD1-CD2 3.56Å; I76-K124 HydrophobicContact CD1-CB 4.44Å; I76-K124 HydrophobicContact CD1-CG 4.06Å; I76-K124 HydrophobicContact CG1-CG 4.16Å; I76-L125 HydrophobicContact CB-CD2 4.38Å; I76-L125 HydrophobicContact CG1-CD2 3.98Å; I76-L125 HydrophobicContact CG1-CG 4.25Å; I76-L125 HydrophobicContact CG2-CD2 4.21Å |
| 77 | R | 75.4 | Confident | 71.4 | Confident | 142 Ų | 142 | 79.6 Ų | 79.6 | 54% | 0.536 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -58.7 | -14.4 | 172.4 | 65.2 | 171.5 | -177.7 | -98.2 | 2.3 | 115.4 | P75 K86 V90 | P75-R77 HydrophobicContact CB-CG 4.09Å; P75-R77 PolarHBondContact O-N 2.9Å; R77-K86 HydrophobicContact CB-CG 4.43Å; R77-K86 VanDerWaalsContact O-CE 3.3Å; R77-K86 WeakPolarHBondContact O-CE 3.48Å; R77-V90 HydrophobicContact CB-CG2 4.41Å |
| 78 | S | 71.3 | Confident | 72.6 | Confident | 52 Ų | 52 | 73.5 Ų | 73.5 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -92.1 | -9.3 | -180 | 68.3 | 0 | 0 | 0 | 0 | 114 | P75 I76 | P75-S78 WeakPolarHBondContact O-CB 3.33Å; P75-S78 PolarHBondContact O-N 3.34Å; P75-S78 PolarHBondContact O-OG 3.47Å; I76-S78 PolarHBondContact O-N 3.28Å |
| 79 | I | 74.9 | Confident | 73.9 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -103 | 1.1 | 176.4 | 56.1 | 166.1 | 0 | 0 | 0 | 112.6 | L59 T60 I61 M65 L74 I76 P81 L121 | L59-I79 HydrophobicContact CB-CD1 4.17Å; L59-I79 HydrophobicContact CD1-CD1 4.23Å; L59-I79 HydrophobicContact CD2-CD1 4.19Å; L59-I79 HydrophobicContact CD2-CG1 4.31Å; L59-I79 HydrophobicContact CG-CD1 4.45Å; T60-I79 PolarHBondContact N-O 2.91Å; T60-I79 WeakPolarHBondContact O-CB 3.33Å; I61-I79 HydrophobicContact CD1-CD1 4.06Å; I61-I79 HydrophobicContact CG1-CB 4.31Å; I61-I79 HydrophobicContact CG1-CD1 3.76Å; I61-I79 HydrophobicContact CG1-CG2 4.37Å; M65-I79 HydrophobicContact CE-CG2 3.7Å; M65-I79 HydrophobicContact SD-CG2 4.33Å; L74-I79 HydrophobicContact CD2-CG2 3.65Å; L74-I79 HydrophobicContact CG-CG2 4.37Å; I76-I79 HydrophobicContact CD1-CD1 4.05Å; I76-I79 HydrophobicContact CG2-CD1 4.2Å; I76-I79 HydrophobicContact CG2-CG1 4.27Å; I76-I79 WeakPolarHBondContact O-CG1 3.48Å; I76-I79 PolarHBondContact O-N 2.83Å; I76-I79 VanDerWaalsContact O-N 3.1Å; I79-P81 WeakPolarHBondContact O-CD 3.23Å; I79-L121 HydrophobicContact CD1-CD2 3.82Å |
| 80 | I | 80.3 | Confident | 74.9 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 5% | 0.051 | 36% | 0.364 | C | S | . | . | trans | -90.6 | 115 | 172.6 | -58.2 | 171.9 | 0 | 0 | 0 | 107.1 | I57 L59 D85 K86 F89 | I57-I80 HydrophobicContact CG2-CD1 4.46Å; I57-I80 HydrophobicContact CG2-CG1 4.32Å; I57-I80 HydrophobicContact CG2-CG2 3.87Å; L59-I80 HydrophobicContact CD2-CD1 4.39Å; L59-I80 HydrophobicContact CD2-CG1 3.72Å; I80-D85 HydrophobicContact CG2-CB 3.68Å; I80-K86 HydrophobicContact CB-CB 4.32Å; I80-K86 HydrophobicContact CG2-CB 4.08Å; I80-F89 HydrophobicContact CD1-CB 3.42Å; I80-F89 VanDerWaalsContact CD1-CB 3.42Å; I80-F89 HydrophobicContact CD1-CD1 3.82Å; I80-F89 HydrophobicContact CD1-CD2 3.95Å; I80-F89 HydrophobicContact CD1-CG 3.44Å; I80-F89 VanDerWaalsContact CD1-CG 3.44Å | ||
| 81 | P | 69.4 | Low | 76 | Confident | 82 Ų | 82 | 74.2 Ų | 74.2 | 53% | 0.532 | 38% | 0.375 | S | S | . | . | trans | -73.4 | -37.1 | -173.8 | 29.2 | -35.3 | 0 | 0 | 0 | 112.5 | N58 T60 I79 | N58-P81 VanDerWaalsContact O-CD 3.31Å; N58-P81 WeakPolarHBondContact O-CD 3.18Å; T60-P81 WeakPolarHBondContact OG1-CG 3.42Å; I79-P81 WeakPolarHBondContact O-CD 3.23Å | ||
| 82 | N | 76.6 | Confident | 77.1 | Confident | 69 Ų | 69 | 68.7 Ų | 68.7 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | trans | -84.3 | 133.6 | -177.2 | -176.4 | 1.9 | 0 | 0 | 0 | 111.4 | E84 D85 K86 | N82-E84 VanDerWaalsContact C-N 3.35Å; N82-E84 PolarHBondContact OD1-N 3.05Å; N82-E84 VanDerWaalsContact OD1-N 3.07Å; N82-D85 HydrophobicContact CB-CB 4.09Å; N82-D85 VanDerWaalsContact CB-OD2 3.27Å; N82-D85 WeakPolarHBondContact CB-OD2 3.45Å; N82-D85 PolarHBondContact ND2-OD2 2.94Å; N82-K86 VanDerWaalsContact O-CB 3.23Å; N82-K86 WeakPolarHBondContact O-CB 3.37Å; N82-K86 PolarHBondContact O-N 3.36Å | ||
| 83 | N | 77 | Confident | 78.2 | Confident | 117 Ų | 117 | 67.7 Ų | 67.7 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.2 | -34.6 | 178 | -78.3 | -30.7 | 0 | 0 | 0 | 112.4 | K86 E87 | N83-K86 WeakPolarHBondContact O-CB 3.3Å; N83-K86 PolarHBondContact O-N 3.45Å; N83-E87 WeakPolarHBondContact O-CG 3.5Å; N83-E87 PolarHBondContact O-N 3.45Å |
| 84 | E | 81.5 | Confident | 79.2 | Confident | 147 Ų | 147 | 69.3 Ų | 69.3 | 69% | 0.687 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.7 | -48.7 | 178.2 | -175.7 | 173.7 | -175.1 | 0 | 0 | 111.1 | N82 K86 E87 K88 | N82-E84 VanDerWaalsContact C-N 3.35Å; N82-E84 PolarHBondContact OD1-N 3.05Å; N82-E84 VanDerWaalsContact OD1-N 3.07Å; E84-K86 PolarHBondContact O-N 3.34Å; E84-E87 PolarHBondContact O-N 2.86Å; E84-K88 WeakPolarHBondContact O-CB 3.5Å; E84-K88 PolarHBondContact O-N 3.43Å |
| 85 | D | 84.3 | Confident | 80 | Confident | 30 Ų | 30 | 73.8 Ų | 73.8 | 16% | 0.16 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.8 | -32.4 | 176.1 | -66.6 | -43.2 | 0 | 0 | 0 | 112.4 | I57 I80 N82 K88 F89 | I57-D85 HydrophobicContact CB-CB 4.48Å; I57-D85 HydrophobicContact CD1-CB 4.16Å; I57-D85 HydrophobicContact CG1-CB 4.04Å; I57-D85 HydrophobicContact CG2-CB 3.75Å; I80-D85 HydrophobicContact CG2-CB 3.68Å; N82-D85 HydrophobicContact CB-CB 4.09Å; N82-D85 VanDerWaalsContact CB-OD2 3.27Å; N82-D85 WeakPolarHBondContact CB-OD2 3.45Å; N82-D85 PolarHBondContact ND2-OD2 2.94Å; D85-K88 PolarHBondContact O-N 3.28Å; D85-F89 VanDerWaalsContact O-CB 3.29Å; D85-F89 WeakPolarHBondContact O-CB 3.4Å; D85-F89 PolarHBondContact O-N 2.91Å |
| 86 | K | 82.4 | Confident | 80.7 | Confident | 74 Ų | 74 | 72.8 Ų | 72.8 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 175.6 | -177.8 | 179.4 | 177.8 | -177.4 | 0 | 111.6 | R77 I80 N82 N83 E84 V90 | R77-K86 HydrophobicContact CB-CG 4.43Å; R77-K86 VanDerWaalsContact O-CE 3.3Å; R77-K86 WeakPolarHBondContact O-CE 3.48Å; I80-K86 HydrophobicContact CB-CB 4.32Å; I80-K86 HydrophobicContact CG2-CB 4.08Å; N82-K86 VanDerWaalsContact O-CB 3.23Å; N82-K86 WeakPolarHBondContact O-CB 3.37Å; N82-K86 PolarHBondContact O-N 3.36Å; N83-K86 WeakPolarHBondContact O-CB 3.3Å; N83-K86 PolarHBondContact O-N 3.45Å; E84-K86 PolarHBondContact O-N 3.34Å; K86-V90 VanDerWaalsContact O-CG2 3.28Å; K86-V90 WeakPolarHBondContact O-CG2 3.35Å; K86-V90 PolarHBondContact O-N 2.84Å |
| 87 | E | 81.9 | Confident | 81.3 | Confident | 148 Ų | 148 | 75.3 Ų | 75.3 | 69% | 0.692 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.4 | -42.9 | 174 | -72.2 | -175.9 | -177.5 | 0 | 0 | 111.5 | N83 E84 F89 V90 K91 | N83-E87 WeakPolarHBondContact O-CG 3.5Å; N83-E87 PolarHBondContact O-N 3.45Å; E84-E87 PolarHBondContact O-N 2.86Å; E87-F89 VanDerWaalsContact C-N 3.33Å; E87-F89 PolarHBondContact O-N 3.44Å; E87-V90 PolarHBondContact O-N 3.27Å; E87-K91 WeakPolarHBondContact O-CB 3.46Å; E87-K91 PolarHBondContact O-N 2.79Å |
| 88 | K | 83.9 | Confident | 82.1 | Confident | 65 Ų | 65 | 68.5 Ų | 68.5 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.2 | -46.5 | 174 | -172.4 | 179.3 | 176.3 | -170.2 | 0 | 111.1 | S55 I57 E84 D85 K91 R92 | S55-K88 PolarHBondContact O-NZ 2.83Å; I57-K88 HydrophobicContact CD1-CD 4.24Å; I57-K88 HydrophobicContact CD1-CG 4.46Å; E84-K88 WeakPolarHBondContact O-CB 3.5Å; E84-K88 PolarHBondContact O-N 3.43Å; D85-K88 PolarHBondContact O-N 3.28Å; K88-K91 PolarHBondContact O-N 2.7Å; K88-R92 WeakPolarHBondContact O-CB 3.46Å; K88-R92 WeakPolarHBondContact O-CG 3.27Å; K88-R92 PolarHBondContact O-N 3.2Å; K88-R92 VanDerWaalsContact O-N 3.1Å |
| 89 | F | 86.1 | Confident | 83.1 | Confident | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.8 | -50.6 | 176.4 | 177 | -92.3 | 0 | 0 | 0 | 112.1 | L38 L40 I57 I76 I80 D85 E87 K91 R92 C93 L125 | L38-F89 HydrophobicContact CD2-CD2 3.65Å; L38-F89 HydrophobicContact CD2-CE2 4.21Å; L38-F89 HydrophobicContact CD2-CG 4.47Å; L40-F89 HydrophobicContact CD1-CE2 4.04Å; L40-F89 HydrophobicContact CD2-CD2 4.16Å; L40-F89 HydrophobicContact CD2-CE2 4.5Å; I57-F89 HydrophobicContact CD1-CB 4.43Å; I76-F89 HydrophobicContact CB-CE1 4.25Å; I76-F89 HydrophobicContact CB-CZ 4Å; I76-F89 HydrophobicContact CG2-CE1 4.05Å; I76-F89 HydrophobicContact CG2-CE2 3.99Å; I76-F89 HydrophobicContact CG2-CZ 3.55Å; I80-F89 HydrophobicContact CD1-CB 3.42Å; I80-F89 VanDerWaalsContact CD1-CB 3.42Å; I80-F89 HydrophobicContact CD1-CD1 3.82Å; I80-F89 HydrophobicContact CD1-CD2 3.95Å; I80-F89 HydrophobicContact CD1-CG 3.44Å; I80-F89 VanDerWaalsContact CD1-CG 3.44Å; D85-F89 VanDerWaalsContact O-CB 3.29Å; D85-F89 WeakPolarHBondContact O-CB 3.4Å; D85-F89 PolarHBondContact O-N 2.91Å; E87-F89 VanDerWaalsContact C-N 3.33Å; E87-F89 PolarHBondContact O-N 3.44Å; F89-K91 PolarHBondContact O-N 3.03Å; F89-R92 PolarHBondContact O-N 2.71Å; F89-C93 HydrophobicContact CD1-CB 4.29Å; F89-C93 HydrophobicContact CD2-CB 4.12Å; F89-C93 HydrophobicContact CE1-CB 3.99Å; F89-C93 HydrophobicContact CE2-CB 3.79Å; F89-C93 HydrophobicContact CG-CB 4.34Å; F89-C93 HydrophobicContact CZ-CB 3.71Å; F89-C93 WeakPolarHBondContact O-CB 3.45Å; F89-C93 PolarHBondContact O-N 2.86Å; F89-C93 PolarHBondContact O-SG 3.29Å; F89-C93 VanDerWaalsContact O-SG 3.34Å; F89-L125 HydrophobicContact CE2-CD2 4.03Å; F89-L125 HydrophobicContact CZ-CD2 3.69Å |
| 90 | V | 84.9 | Confident | 83.9 | Confident | 88 Ų | 88 | 65.9 Ų | 65.9 | 53% | 0.533 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.3 | -35.8 | -178.4 | 168.9 | 0 | 0 | 0 | 0 | 111.9 | R77 K86 E87 | R77-V90 HydrophobicContact CB-CG2 4.41Å; K86-V90 VanDerWaalsContact O-CG2 3.28Å; K86-V90 WeakPolarHBondContact O-CG2 3.35Å; K86-V90 PolarHBondContact O-N 2.84Å; E87-V90 PolarHBondContact O-N 3.27Å |
| 91 | K | 84.9 | Confident | 84.4 | Confident | 173 Ų | 173 | 65.4 Ų | 65.4 | 75% | 0.752 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -73.4 | -37.7 | 179.6 | -171.4 | 177.4 | 178.9 | -176.7 | 0 | 112.7 | E87 K88 F89 | E87-K91 WeakPolarHBondContact O-CB 3.46Å; E87-K91 PolarHBondContact O-N 2.79Å; K88-K91 PolarHBondContact O-N 2.7Å; F89-K91 PolarHBondContact O-N 3.03Å |
| 92 | R | 84.8 | Confident | 85.2 | Confident | 50 Ų | 50 | 62.9 Ų | 62.9 | 19% | 0.189 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -103.7 | -23.1 | -168.6 | -63.4 | -178.5 | 70 | -174.7 | -5.2 | 114.5 | V34 S35 L37 L38 K88 F89 K94 T95 D96 | V34-R92 PolarHBondContact O-NH2 3.39Å; S35-R92 PolarHBondContact O-NH2 3.29Å; S35-R92 VanDerWaalsContact O-NH2 3.12Å; L37-R92 PolarHBondContact O-NH2 3.16Å; L38-R92 HydrophobicContact CD1-CB 4.48Å; L38-R92 HydrophobicContact CD2-CB 4.5Å; K88-R92 WeakPolarHBondContact O-CB 3.46Å; K88-R92 WeakPolarHBondContact O-CG 3.27Å; K88-R92 PolarHBondContact O-N 3.2Å; K88-R92 VanDerWaalsContact O-N 3.1Å; F89-R92 PolarHBondContact O-N 2.71Å; R92-K94 PolarHBondContact O-N 3Å; R92-T95 PolarHBondContact O-N 2.72Å; R92-T95 VanDerWaalsContact O-N 3.07Å; R92-T95 PolarHBondContact O-OG1 3.15Å; R92-T95 VanDerWaalsContact O-OG1 3.08Å; R92-D96 HydrophobicContact CB-CB 4.27Å; R92-D96 IonicContact CZ-OD2 3.48Å; R92-D96 IonicContact NE-OD2 2.67Å; R92-D96 PolarHBondContact NE-OD2 3.38Å; R92-D96 IonicContact NH2-OD2 3.89Å; R92-D96 PolarHBondContact NH2-OD2 3.35Å; R92-D96 VanDerWaalsContact O-CB 3.26Å; R92-D96 WeakPolarHBondContact O-CB 3.33Å; R92-D96 PolarHBondContact O-N 2.72Å |
| 93 | C | 84 | Confident | 85.5 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 8% | 0.081 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26.6 | -168.6 | 66.7 | 0 | 0 | 0 | 0 | 115.3 | L38 F89 C130 | L38-C93 HydrophobicContact CD2-CB 4.39Å; F89-C93 HydrophobicContact CD1-CB 4.29Å; F89-C93 HydrophobicContact CD2-CB 4.12Å; F89-C93 HydrophobicContact CE1-CB 3.99Å; F89-C93 HydrophobicContact CE2-CB 3.79Å; F89-C93 HydrophobicContact CG-CB 4.34Å; F89-C93 HydrophobicContact CZ-CB 3.71Å; F89-C93 WeakPolarHBondContact O-CB 3.45Å; F89-C93 PolarHBondContact O-N 2.86Å; F89-C93 PolarHBondContact O-SG 3.29Å; F89-C93 VanDerWaalsContact O-SG 3.34Å; C93-C130 WeakPolarHBondContact O-CB 3.36Å; C93-C130 PolarHBondContact O-SG 3.3Å; C93-C130 VanDerWaalsContact O-SG 3.37Å |
| 94 | K | 84.6 | Confident | 85.6 | Confident | 150 Ų | 150 | 59.4 Ų | 59.4 | 65% | 0.652 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -23.9 | 178.9 | -67 | -172.3 | 176.7 | -174.4 | 0 | 114.1 | R92 | R92-K94 PolarHBondContact O-N 3Š|
| 95 | T | 84.1 | Confident | 85.1 | Confident | 94 Ų | 94 | 54.7 Ų | 54.7 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -37.3 | -177.7 | 49.7 | 0 | 0 | 0 | 0 | 111.1 | R92 | R92-T95 PolarHBondContact O-N 2.72Å; R92-T95 VanDerWaalsContact O-N 3.07Å; R92-T95 PolarHBondContact O-OG1 3.15Å; R92-T95 VanDerWaalsContact O-OG1 3.08Å |
| 96 | D | 87 | Confident | 84 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.08 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -99.4 | 160.7 | -167.5 | -67.3 | 33.2 | 0 | 0 | 0 | 111.2 | S36 R92 | S36-D96 WeakPolarHBondContact CA-OD2 3.36Å; S36-D96 CarbonylContact O-C 3.41Å; S36-D96 WeakPolarHBondContact O-CA 3.24Å; S36-D96 WeakPolarHBondContact O-CB 3.31Å; R92-D96 HydrophobicContact CB-CB 4.27Å; R92-D96 IonicContact CZ-OD2 3.48Å; R92-D96 IonicContact NE-OD2 2.67Å; R92-D96 PolarHBondContact NE-OD2 3.38Å; R92-D96 IonicContact NH2-OD2 3.89Å; R92-D96 PolarHBondContact NH2-OD2 3.35Å; R92-D96 VanDerWaalsContact O-CB 3.26Å; R92-D96 WeakPolarHBondContact O-CB 3.33Å; R92-D96 PolarHBondContact O-N 2.72Å |
| 97 | M | 88.8 | Confident | 82.7 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 26% | 0.261 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 129.6 | 167.1 | -171 | 173.2 | -58.4 | 0 | 0 | 108.8 | W23 S36 L37 L38 F133 | W23-M97 HydrophobicContact CH2-SD 3.44Å; W23-M97 WeakPolarHBondContact CH2-SD 3.23Å; W23-M97 HydrophobicContact CZ2-CE 4.37Å; W23-M97 HydrophobicContact CZ2-SD 3.82Å; W23-M97 HydrophobicContact CZ3-SD 4.49Å; S36-M97 PolarHBondContact O-N 3.38Å; L37-M97 HydrophobicContact CD1-CB 4.27Å; L37-M97 HydrophobicContact CD1-CG 4.42Å; L38-M97 PolarHBondContact N-O 3.33Å; M97-F133 HydrophobicContact CE-CE2 4.1Å; M97-F133 HydrophobicContact CG-CD2 3.59Å; M97-F133 HydrophobicContact CG-CE2 3.75Å; M97-F133 HydrophobicContact SD-CD2 3.75Å; M97-F133 HydrophobicContact SD-CE2 3.83Å |
| 98 | V | 91.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 120.5 | 177.7 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | L38 L40 L100 L125 C130 K131 A132 F133 | L38-V98 HydrophobicContact CB-CG2 4.41Å; L38-V98 HydrophobicContact CD2-CG2 4.24Å; L38-V98 WeakPolarHBondContact O-CA 3.5Å; L40-V98 HydrophobicContact CD1-CG1 3.38Å; L40-V98 HydrophobicContact CG-CG1 3.9Å; V98-L100 HydrophobicContact CG1-CD1 4.03Å; V98-L125 HydrophobicContact CG1-CD1 4.07Å; V98-C130 HydrophobicContact CG2-CB 4.2Å; V98-K131 PolarHBondContact N-O 3.2Å; V98-A132 HydrophobicContact CB-CB 4.35Å; V98-A132 CarbonylContact O-C 3.49Å; V98-A132 VanDerWaalsContact O-CA 3.29Å; V98-A132 WeakPolarHBondContact O-CA 3.5Å; V98-F133 PolarHBondContact O-N 3.08Å |
| 99 | L | 91.8 | Very high | 80 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.1 | 178.1 | -174.8 | 72 | 0 | 0 | 0 | 109.9 | K19 W23 L24 L37 L38 L39 L40 F133 L135 | K19-L99 HydrophobicContact CB-CD1 3.86Å; K19-L99 HydrophobicContact CG-CD1 3.91Å; W23-L99 HydrophobicContact CZ3-CD2 4.17Å; L24-L99 HydrophobicContact CB-CD2 4.44Å; L24-L99 HydrophobicContact CD1-CD2 3.74Å; L24-L99 HydrophobicContact CD2-CD2 3.87Å; L24-L99 HydrophobicContact CG-CD2 4.24Å; L37-L99 HydrophobicContact CD1-CB 3.99Å; L38-L99 PolarHBondContact O-N 3.3Å; L39-L99 HydrophobicContact CD2-CB 4.06Å; L39-L99 HydrophobicContact CD2-CD2 3.78Å; L39-L99 HydrophobicContact CD2-CG 4.31Å; L40-L99 PolarHBondContact N-O 3.19Å; L99-F133 WeakPolarHBondContact CA-O 3.38Å; L99-F133 HydrophobicContact CD1-CB 3.85Å; L99-L135 HydrophobicContact CD2-CD1 4.34Å |
| 100 | L | 91.7 | Very high | 77.9 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 142.8 | 179.7 | -61.4 | 85.1 | 0 | 0 | 0 | 110.2 | L40 V98 L118 L121 L122 L125 A132 F133 Y134 L135 | L40-L100 HydrophobicContact CB-CG 4.22Å; L40-L100 HydrophobicContact CD1-CG 4.25Å; L40-L100 WeakPolarHBondContact O-CA 3.48Å; V98-L100 HydrophobicContact CG1-CD1 4.03Å; L100-L118 HydrophobicContact CB-CD1 3.61Å; L100-L118 HydrophobicContact CD2-CD1 4.27Å; L100-L121 HydrophobicContact CD2-CB 3.74Å; L100-L121 HydrophobicContact CD2-CD1 4.38Å; L100-L122 HydrophobicContact CD1-CD1 4.03Å; L100-L125 HydrophobicContact CD1-CD1 3.7Å; L100-L125 HydrophobicContact CD2-CD1 3.77Å; L100-L125 HydrophobicContact CG-CD1 4.16Å; L100-A132 HydrophobicContact CD1-CB 4.17Å; L100-F133 VanDerWaalsContact CD1-O 3.22Å; L100-F133 WeakPolarHBondContact CD1-O 3.5Å; L100-F133 PolarHBondContact N-O 3.31Å; L100-Y134 CarbonylContact O-C 3.55Å; L100-Y134 WeakPolarHBondContact O-CA 3.41Å; L100-L135 PolarHBondContact O-N 3.24Å |
| 101 | Y | 90.4 | Very high | 75.8 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 152.4 | 171.4 | 64.8 | -91.4 | 0 | 0 | 0 | 111.3 | L40 D41 C42 I53 A56 L135 F139 | L40-Y101 PolarHBondContact O-N 3.36Å; L40-Y101 VanDerWaalsContact O-N 3.1Å; D41-Y101 HydrophobicContact CB-CE1 4.12Å; D41-Y101 HydrophobicContact CB-CE2 3.85Å; D41-Y101 WeakPolarHBondContact CB-OH 3.39Å; D41-Y101 WeakPolarHBondContact OD2-CE2 3.28Å; D41-Y101 PolarHBondContact OD2-OH 3.08Å; C42-Y101 VanDerWaalsContact CB-O 3.27Å; C42-Y101 WeakPolarHBondContact CB-O 3.17Å; C42-Y101 PolarHBondContact N-O 2.95Å; I53-Y101 HydrophobicContact CB-CE1 4.3Å; I53-Y101 HydrophobicContact CD1-CD1 4.06Å; I53-Y101 HydrophobicContact CD1-CE1 3.81Å; I53-Y101 HydrophobicContact CD1-CE2 4.3Å; I53-Y101 HydrophobicContact CD1-CG 4.4Å; I53-Y101 HydrophobicContact CG1-CE1 4.18Å; I53-Y101 HydrophobicContact CG1-CE2 4.36Å; I53-Y101 PolarHBondContact N-OH 2.87Å; I53-Y101 VanDerWaalsContact N-OH 3.16Å; A56-Y101 HydrophobicContact CB-CE1 4.05Å; A56-Y101 VanDerWaalsContact CB-OH 3.29Å; A56-Y101 WeakPolarHBondContact CB-OH 3.31Å; Y101-L135 HydrophobicContact CG-CD2 4.41Å; Y101-F139 HydrophobicContact CD2-CB 3.88Å; Y101-F139 HydrophobicContact CD2-CD2 4.37Å; Y101-F139 HydrophobicContact CE2-CB 4Å; Y101-F139 AromaticContact CE2-CD2 3.75Å; Y101-F139 HydrophobicContact CE2-CD2 3.75Å; Y101-F139 HydrophobicContact CE2-CG 4.25Å |
| 102 | D | 86.6 | Confident | 74 | Confident | 29 Ų | 29 | 67.5 Ų | 67.5 | 16% | 0.155 | 36% | 0.364 | C | S | . | . | trans | -117.9 | -162.5 | 171.1 | 68.9 | 9.5 | 0 | 0 | 0 | 110.3 | A104 T105 L118 G138 F139 | D102-A104 PolarHBondContact OD1-N 3.15Å; D102-T105 VanDerWaalsContact CG-OG1 3.31Å; D102-T105 WeakPolarHBondContact OD1-CB 2.92Å; D102-T105 PolarHBondContact OD1-N 3.3Å; D102-T105 PolarHBondContact OD1-OG1 3.32Å; D102-T105 WeakPolarHBondContact OD2-CB 3.32Å; D102-T105 PolarHBondContact OD2-OG1 3.5Å; D102-L118 HydrophobicContact CB-CD2 4.47Å; D102-G138 CarbonylContact O-C 3.58Å; D102-G138 WeakPolarHBondContact O-CA 3.33Å; D102-F139 WeakPolarHBondContact O-CB 3.2Å; D102-F139 PolarHBondContact O-N 2.79Å | ||
| 103 | E | 84.4 | Confident | 72.4 | Confident | 64 Ų | 64 | 69 Ų | 69 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -67.9 | -47.8 | -176.3 | -174.3 | 65.8 | -166.2 | 0 | 0 | 113.3 | R43 F139 N140 | R43-E103 WeakPolarHBondContact CD-OE2 3.36Å; R43-E103 HydrophobicContact CG-CB 4.42Å; R43-E103 IonicContact NH1-OE2 3.35Å; R43-E103 PolarHBondContact NH1-OE2 3.25Å; E103-F139 PolarHBondContact O-N 3.18Å; E103-N140 WeakPolarHBondContact O-CB 3.44Å; E103-N140 VanDerWaalsContact O-CG 3.29Å; E103-N140 PolarHBondContact O-N 3.34Å; E103-N140 PolarHBondContact O-ND2 2.99Å; E103-N140 PolarHBondContact OE1-ND2 2.88Å; E103-N140 PolarHBondContact OE1-OD1 2.78Å |
| 104 | A | 79 | Confident | 70.9 | Confident | 49 Ų | 49 | 72 Ų | 72 | 41% | 0.405 | 40% | 0.404 | S | S | . | . | trans | -163.8 | 24.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D102 T106 | D102-A104 PolarHBondContact OD1-N 3.15Å; A104-T106 PolarHBondContact O-N 2.9Å; A104-T106 VanDerWaalsContact O-N 3.13Å | ||
| 105 | T | 71 | Confident | 69.5 | Low | 48 Ų | 48 | 68.4 Ų | 68.4 | 29% | 0.294 | 40% | 0.397 | S | S | . | . | trans | -66.6 | 117.9 | -179.6 | -72.5 | 0 | 0 | 0 | 0 | 110.8 | D102 G137 | D102-T105 VanDerWaalsContact CG-OG1 3.31Å; D102-T105 WeakPolarHBondContact OD1-CB 2.92Å; D102-T105 PolarHBondContact OD1-N 3.3Å; D102-T105 PolarHBondContact OD1-OG1 3.32Å; D102-T105 WeakPolarHBondContact OD2-CB 3.32Å; D102-T105 PolarHBondContact OD2-OG1 3.5Å; T105-G137 WeakPolarHBondContact O-CA 3.2Å; T105-G137 PolarHBondContact O-N 3.06Å | ||
| 106 | T | 61 | Low | 69 | Low | 104 Ų | 104 | 66.1 Ų | 66.1 | 64% | 0.638 | 39% | 0.385 | S | S | * | . | trans | -110.3 | -24.9 | -172.5 | 33.1 | 0 | 0 | 0 | 0 | 113.6 | A104 | A104-T106 PolarHBondContact O-N 2.9Å; A104-T106 VanDerWaalsContact O-N 3.13Å | ||
| 107 | D | 54.1 | Low | 68.4 | Low | 135 Ų | 135 | 66.5 Ų | 66.5 | 72% | 0.722 | 39% | 0.388 | S | S | * | . | trans | -129.1 | 119.8 | -175.9 | -71 | -44.4 | 0 | 0 | 0 | 112.9 | ||||
| 108 | W | 61.9 | Low | 67.9 | Low | 71 Ų | 71 | 64.3 Ų | 64.3 | 27% | 0.269 | 38% | 0.378 | S | S | . | . | trans | -97 | 16.3 | 171.1 | -159.4 | -92.9 | 0 | 0 | 0 | 113.1 | V113 G119 L122 Y134 | W108-V113 HydrophobicContact CZ2-CB 4.48Å; W108-V113 HydrophobicContact CZ2-CG1 3.94Å; W108-G119 VanDerWaalsContact CH2-CA 3.47Å; W108-L122 HydrophobicContact CH2-CD2 4.27Å; W108-L122 HydrophobicContact CZ2-CD2 4.28Å; W108-Y134 VanDerWaalsContact CB-OH 3.22Å; W108-Y134 WeakPolarHBondContact CB-OH 3.44Å; W108-Y134 AromaticContact CD2-CE1 3.98Å; W108-Y134 HydrophobicContact CD2-CE1 3.98Å; W108-Y134 HydrophobicContact CE3-CD1 4.4Å; W108-Y134 AromaticContact CE3-CE1 3.95Å; W108-Y134 HydrophobicContact CE3-CE1 3.95Å; W108-Y134 HydrophobicContact CE3-CE2 4.36Å; W108-Y134 AromaticContact CE3-CZ 3.94Å; W108-Y134 HydrophobicContact CG-CE1 4.28Å; W108-Y134 HydrophobicContact CZ3-CD1 4.41Å; W108-Y134 HydrophobicContact CZ3-CE1 4.39Å | ||
| 109 | Q | 47 | Very low | 67.3 | Low | 173 Ų | 173 | 64.4 Ų | 64.4 | 81% | 0.808 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -101.7 | 128.7 | -176.1 | -74.1 | -173.4 | -14.2 | 0 | 0 | 113.5 | ||
| 110 | E | 43.1 | Very low | 66.6 | Low | 192 Ų | 192 | 65.7 Ų | 65.7 | 90% | 0.897 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 83.7 | -9.1 | 161.2 | -64.8 | -166 | 159.1 | 0 | 0 | 122.7 | ||
| 111 | T | 40.7 | Very low | 66.1 | Low | 129 Ų | 129 | 65.7 Ų | 65.7 | 79% | 0.791 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -131.3 | 69.1 | 172.7 | 45.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 112 | G | 47.2 | Very low | 65.8 | Low | 50 Ų | 50 | 65.9 Ų | 65.9 | 52% | 0.515 | 39% | 0.386 | S | S | . | . | trans | 74 | 92.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A114 S115 | G112-A114 PolarHBondContact O-N 2.74Å; G112-S115 PolarHBondContact O-N 2.75Å; G112-S115 PolarHBondContact O-OG 2.81Å; G112-S115 VanDerWaalsContact O-OG 3.13Å | ||
| 113 | V | 50.7 | Low | 65.5 | Low | 80 Ų | 80 | 68.7 Ų | 68.7 | 49% | 0.485 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -38.8 | -21.1 | 165.7 | -176.8 | 0 | 0 | 0 | 0 | 114.6 | W108 | W108-V113 HydrophobicContact CZ2-CB 4.48Å; W108-V113 HydrophobicContact CZ2-CG1 3.94Å |
| 114 | A | 52.2 | Low | 65.3 | Low | 76 Ų | 76 | 67.6 Ų | 67.6 | 63% | 0.628 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -0 | -177 | 0 | 0 | 0 | 0 | 0 | 115.5 | G112 L120 | G112-A114 PolarHBondContact O-N 2.74Å; A114-L120 WeakPolarHBondContact O-CD2 3.27Å |
| 115 | S | 55.5 | Low | 65.5 | Low | 74 Ų | 74 | 65.3 Ų | 65.3 | 52% | 0.517 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -27.4 | -173.3 | 75.4 | 0 | 0 | 0 | 0 | 114.6 | G112 | G112-S115 PolarHBondContact O-N 2.75Å; G112-S115 PolarHBondContact O-OG 2.81Å; G112-S115 VanDerWaalsContact O-OG 3.13Å |
| 116 | S | 72.7 | Confident | 66.2 | Low | 47 Ų | 47 | 67.1 Ų | 67.1 | 33% | 0.329 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -84.9 | 152.3 | 178.9 | 74.6 | 0 | 0 | 0 | 0 | 112 | G119 L120 | S116-G119 PolarHBondContact O-N 3.12Å; S116-G119 PolarHBondContact OG-N 2.76Å; S116-G119 VanDerWaalsContact OG-N 3.08Å; S116-L120 WeakPolarHBondContact O-CG 3.37Å; S116-L120 PolarHBondContact O-N 2.89Å |
| 117 | V | 74.3 | Confident | 67.2 | Low | 23 Ų | 23 | 67.4 Ų | 67.4 | 14% | 0.139 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 178.8 | 173 | 0 | 0 | 0 | 0 | 110.8 | I61 L66 G119 L120 L121 W265 | I61-V117 HydrophobicContact CD1-CG1 3.78Å; L66-V117 HydrophobicContact CD1-CG2 4.06Å; L66-V117 HydrophobicContact CD2-CB 4.27Å; L66-V117 HydrophobicContact CD2-CG1 3.8Å; L66-V117 HydrophobicContact CD2-CG2 3.47Å; L66-V117 VanDerWaalsContact CD2-CG2 3.47Å; L66-V117 HydrophobicContact CG-CG2 4.42Å; V117-G119 VanDerWaalsContact C-N 3.29Å; V117-G119 PolarHBondContact O-N 2.6Å; V117-L120 PolarHBondContact O-N 3.26Å; V117-L121 HydrophobicContact CG1-CD1 3.93Å; V117-L121 HydrophobicContact CG1-CG 4.35Å; V117-L121 VanDerWaalsContact O-CG 3.26Å; V117-L121 WeakPolarHBondContact O-CG 3.37Å; V117-L121 PolarHBondContact O-N 3.31Å; V117-W265 HydrophobicContact CB-CZ2 4.38Å; V117-W265 HydrophobicContact CG2-CH2 3.73Å; V117-W265 HydrophobicContact CG2-CZ2 3.1Å |
| 118 | L | 79.4 | Confident | 68.5 | Low | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.037 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.3 | -42.8 | 175.4 | -167.9 | 65 | 0 | 0 | 0 | 111.2 | C42 L100 D102 L121 L122 | C42-L118 HydrophobicContact CB-CD1 4.36Å; L100-L118 HydrophobicContact CB-CD1 3.61Å; L100-L118 HydrophobicContact CD2-CD1 4.27Å; D102-L118 HydrophobicContact CB-CD2 4.47Å; L118-L121 PolarHBondContact O-N 3.19Å; L118-L122 VanDerWaalsContact O-CB 3.24Å; L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 PolarHBondContact O-N 3.26Å |
| 119 | G | 78 | Confident | 69.5 | Low | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.3 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | W108 S116 V117 L122 Q123 | W108-G119 VanDerWaalsContact CH2-CA 3.47Å; S116-G119 PolarHBondContact O-N 3.12Å; S116-G119 PolarHBondContact OG-N 2.76Å; S116-G119 VanDerWaalsContact OG-N 3.08Å; V117-G119 VanDerWaalsContact C-N 3.29Å; V117-G119 PolarHBondContact O-N 2.6Å; G119-L122 PolarHBondContact O-N 3.09Å; G119-Q123 WeakPolarHBondContact O-CB 3.37Å; G119-Q123 PolarHBondContact O-N 2.74Å |
| 120 | L | 78.5 | Confident | 71.4 | Confident | 27 Ų | 27 | 55.5 Ų | 55.5 | 14% | 0.141 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 174.1 | -70.6 | 169.1 | 0 | 0 | 0 | 112.2 | L69 K70 A114 S116 V117 K124 | L69-L120 HydrophobicContact CD2-CB 3.9Å; L69-L120 HydrophobicContact CG-CB 4.15Å; K70-L120 HydrophobicContact CD-CD1 4.4Å; K70-L120 HydrophobicContact CG-CD1 3.5Å; K70-L120 VanDerWaalsContact CG-CD1 3.5Å; A114-L120 WeakPolarHBondContact O-CD2 3.27Å; S116-L120 WeakPolarHBondContact O-CG 3.37Å; S116-L120 PolarHBondContact O-N 2.89Å; V117-L120 PolarHBondContact O-N 3.26Å; L120-K124 VanDerWaalsContact O-CB 3.23Å; L120-K124 WeakPolarHBondContact O-CB 3.42Å; L120-K124 PolarHBondContact O-N 2.98Å |
| 121 | L | 80.7 | Confident | 73.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 175.4 | -67.8 | 167.6 | 0 | 0 | 0 | 111.4 | C42 L59 I61 L69 I76 I79 L100 V117 L118 Q123 K124 L125 | C42-L121 HydrophobicContact CB-CD1 4.42Å; L59-L121 HydrophobicContact CD1-CD1 4.31Å; I61-L121 HydrophobicContact CD1-CD1 3.47Å; I61-L121 VanDerWaalsContact CD1-CD1 3.47Å; I61-L121 HydrophobicContact CD1-CD2 3.82Å; I61-L121 HydrophobicContact CD1-CG 4.08Å; L69-L121 HydrophobicContact CD1-CD2 4.09Å; L69-L121 HydrophobicContact CD2-CD2 3.78Å; L69-L121 HydrophobicContact CD2-CG 4.03Å; I76-L121 HydrophobicContact CD1-CD2 3.56Å; I79-L121 HydrophobicContact CD1-CD2 3.82Å; L100-L121 HydrophobicContact CD2-CB 3.74Å; L100-L121 HydrophobicContact CD2-CD1 4.38Å; V117-L121 HydrophobicContact CG1-CD1 3.93Å; V117-L121 HydrophobicContact CG1-CG 4.35Å; V117-L121 VanDerWaalsContact O-CG 3.26Å; V117-L121 WeakPolarHBondContact O-CG 3.37Å; V117-L121 PolarHBondContact O-N 3.31Å; L118-L121 PolarHBondContact O-N 3.19Å; L121-Q123 PolarHBondContact O-N 3.15Å; L121-K124 PolarHBondContact O-N 3.31Å; L121-L125 WeakPolarHBondContact O-CB 3.2Å; L121-L125 WeakPolarHBondContact O-CG 3.06Å; L121-L125 PolarHBondContact O-N 3.04Å |
| 122 | L | 83.6 | Confident | 75.9 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 178.1 | -171.9 | 71.3 | 0 | 0 | 0 | 110.9 | L100 W108 L118 G119 L125 R126 A132 Y134 | L100-L122 HydrophobicContact CD1-CD1 4.03Å; W108-L122 HydrophobicContact CH2-CD2 4.27Å; W108-L122 HydrophobicContact CZ2-CD2 4.28Å; L118-L122 VanDerWaalsContact O-CB 3.24Å; L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 PolarHBondContact O-N 3.26Å; G119-L122 PolarHBondContact O-N 3.09Å; L122-L125 PolarHBondContact O-N 2.9Å; L122-R126 VanDerWaalsContact O-CG 3.28Å; L122-R126 WeakPolarHBondContact O-CG 3.35Å; L122-R126 PolarHBondContact O-N 3.22Å; L122-R126 VanDerWaalsContact O-N 3.12Å; L122-A132 VanDerWaalsContact CD1-C 3.5Å; L122-A132 HydrophobicContact CD1-CB 3.76Å; L122-A132 WeakPolarHBondContact CD1-O 3.09Å; L122-Y134 HydrophobicContact CD2-CD1 4.16Å |
| 123 | Q | 80.1 | Confident | 78 | Confident | 89 Ų | 89 | 46.4 Ų | 46.4 | 42% | 0.416 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 176 | -173.8 | 62.3 | 40.4 | 0 | 0 | 111.1 | G119 L121 L125 R126 D127 | G119-Q123 WeakPolarHBondContact O-CB 3.37Å; G119-Q123 PolarHBondContact O-N 2.74Å; L121-Q123 PolarHBondContact O-N 3.15Å; Q123-L125 VanDerWaalsContact C-N 3.35Å; Q123-L125 PolarHBondContact O-N 2.93Å; Q123-R126 WeakPolarHBondContact O-CB 3.15Å; Q123-R126 PolarHBondContact O-N 3.14Å; Q123-D127 PolarHBondContact NE2-OD1 3.27Å; Q123-D127 PolarHBondContact O-N 3.5Å |
| 124 | K | 80.6 | Confident | 79.8 | Confident | 41 Ų | 41 | 43.5 Ų | 43.5 | 18% | 0.178 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | -179.1 | -175.4 | 65.7 | -176.6 | 174.9 | 0 | 112.5 | L69 G72 L74 I76 L120 L121 R126 D127 E128 | L69-K124 HydrophobicContact CD1-CB 4.49Å; L69-K124 HydrophobicContact CD1-CG 4.44Å; G72-K124 PolarHBondContact O-NZ 2.96Å; L74-K124 WeakPolarHBondContact O-CE 3.44Å; I76-K124 HydrophobicContact CD1-CB 4.44Å; I76-K124 HydrophobicContact CD1-CG 4.06Å; I76-K124 HydrophobicContact CG1-CG 4.16Å; L120-K124 VanDerWaalsContact O-CB 3.23Å; L120-K124 WeakPolarHBondContact O-CB 3.42Å; L120-K124 PolarHBondContact O-N 2.98Å; L121-K124 PolarHBondContact O-N 3.31Å; K124-R126 VanDerWaalsContact C-N 3.33Å; K124-D127 PolarHBondContact O-N 2.67Å; K124-E128 WeakPolarHBondContact CE-OE1 3.46Å; K124-E128 IonicContact NZ-OE1 3.87Å; K124-E128 WeakPolarHBondContact O-CG 3.33Å; K124-E128 PolarHBondContact O-N 3.32Å |
| 125 | L | 84.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 176.8 | -77 | 167.2 | 0 | 0 | 0 | 111.6 | L40 I76 F89 V98 L100 L121 L122 Q123 E128 G129 C130 A132 | L40-L125 HydrophobicContact CD1-CD1 4.07Å; I76-L125 HydrophobicContact CB-CD2 4.38Å; I76-L125 HydrophobicContact CG1-CD2 3.98Å; I76-L125 HydrophobicContact CG1-CG 4.25Å; I76-L125 HydrophobicContact CG2-CD2 4.21Å; F89-L125 HydrophobicContact CE2-CD2 4.03Å; F89-L125 HydrophobicContact CZ-CD2 3.69Å; V98-L125 HydrophobicContact CG1-CD1 4.07Å; L100-L125 HydrophobicContact CD1-CD1 3.7Å; L100-L125 HydrophobicContact CD2-CD1 3.77Å; L100-L125 HydrophobicContact CG-CD1 4.16Å; L121-L125 WeakPolarHBondContact O-CB 3.2Å; L121-L125 WeakPolarHBondContact O-CG 3.06Å; L121-L125 PolarHBondContact O-N 3.04Å; L122-L125 PolarHBondContact O-N 2.9Å; Q123-L125 VanDerWaalsContact C-N 3.35Å; Q123-L125 PolarHBondContact O-N 2.93Å; L125-E128 CarbonylContact O-C 3.33Å; L125-E128 PolarHBondContact O-N 2.75Å; L125-G129 PolarHBondContact O-N 3.29Å; L125-C130 HydrophobicContact CB-CB 4.14Å; L125-C130 HydrophobicContact CD2-CB 4.4Å; L125-C130 VanDerWaalsContact O-CB 3.24Å; L125-C130 WeakPolarHBondContact O-CB 3.26Å; L125-C130 PolarHBondContact O-N 2.69Å; L125-C130 PolarHBondContact O-SG 3.41Å; L125-C130 VanDerWaalsContact O-SG 3.41Å; L125-A132 HydrophobicContact CB-CB 3.77Å; L125-A132 HydrophobicContact CD1-CB 4.23Å |
| 126 | R | 85.1 | Confident | 83.2 | Confident | 86 Ų | 86 | 39.8 Ų | 39.8 | 33% | 0.325 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66 | -42.7 | 174.8 | -70.5 | 170.5 | -179.1 | -170.3 | -2.7 | 111.9 | S17 L122 Q123 K124 E128 G129 A132 | S17-R126 PolarHBondContact OG-NH1 3.26Å; S17-R126 VanDerWaalsContact OG-NH1 3.08Å; S17-R126 PolarHBondContact OG-NH2 3Å; L122-R126 VanDerWaalsContact O-CG 3.28Å; L122-R126 WeakPolarHBondContact O-CG 3.35Å; L122-R126 PolarHBondContact O-N 3.22Å; L122-R126 VanDerWaalsContact O-N 3.12Å; Q123-R126 WeakPolarHBondContact O-CB 3.15Å; Q123-R126 PolarHBondContact O-N 3.14Å; K124-R126 VanDerWaalsContact C-N 3.33Å; R126-E128 PolarHBondContact O-N 3.28Å; R126-G129 WeakPolarHBondContact O-CA 3.43Å; R126-G129 PolarHBondContact O-N 3.35Å; R126-A132 HydrophobicContact CG-CB 4.25Å; R126-A132 PolarHBondContact NE-O 3.31Å; R126-A132 VanDerWaalsContact NE-O 3.16Å; R126-A132 PolarHBondContact NH2-O 3.4Å |
| 127 | D | 82.1 | Confident | 83.6 | Confident | 110 Ų | 110 | 37.8 Ų | 37.8 | 59% | 0.588 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -61.5 | -31.3 | 175 | -64.5 | -16 | 0 | 0 | 0 | 111.6 | Q123 K124 G129 | Q123-D127 PolarHBondContact NE2-OD1 3.27Å; Q123-D127 PolarHBondContact O-N 3.5Å; K124-D127 PolarHBondContact O-N 2.67Å; D127-G129 VanDerWaalsContact C-N 3.27Å |
| 128 | E | 81.6 | Confident | 84.3 | Confident | 67 Ų | 67 | 36.7 Ų | 36.7 | 31% | 0.313 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 0.8 | 174 | -69.8 | -174.9 | 179 | 0 | 0 | 113.6 | K124 L125 R126 | K124-E128 WeakPolarHBondContact CE-OE1 3.46Å; K124-E128 IonicContact NZ-OE1 3.87Å; K124-E128 WeakPolarHBondContact O-CG 3.33Å; K124-E128 PolarHBondContact O-N 3.32Å; L125-E128 CarbonylContact O-C 3.33Å; L125-E128 PolarHBondContact O-N 2.75Å; R126-E128 PolarHBondContact O-N 3.28Å |
| 129 | G | 82.1 | Confident | 84.9 | Confident | 55 Ų | 55 | 36.5 Ų | 36.5 | 57% | 0.567 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | 15.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L125 R126 D127 | L125-G129 PolarHBondContact O-N 3.29Å; R126-G129 WeakPolarHBondContact O-CA 3.43Å; R126-G129 PolarHBondContact O-N 3.35Å; D127-G129 VanDerWaalsContact C-N 3.27Å |
| 130 | C | 86.6 | Confident | 85.5 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.054 | 20% | 0.199 | C | C | . | . | trans | -84.5 | 146.9 | 179.1 | -49.8 | 0 | 0 | 0 | 0 | 111.4 | C93 V98 L125 A132 | C93-C130 WeakPolarHBondContact O-CB 3.36Å; C93-C130 PolarHBondContact O-SG 3.3Å; C93-C130 VanDerWaalsContact O-SG 3.37Å; V98-C130 HydrophobicContact CG2-CB 4.2Å; L125-C130 HydrophobicContact CB-CB 4.14Å; L125-C130 HydrophobicContact CD2-CB 4.4Å; L125-C130 VanDerWaalsContact O-CB 3.24Å; L125-C130 WeakPolarHBondContact O-CB 3.26Å; L125-C130 PolarHBondContact O-N 2.69Å; L125-C130 PolarHBondContact O-SG 3.41Å; L125-C130 VanDerWaalsContact O-SG 3.41Å; C130-A132 VanDerWaalsContact C-N 3.34Å; C130-A132 PolarHBondContact O-N 2.86Å | ||
| 131 | K | 89.4 | Confident | 86 | Confident | 132 Ų | 132 | 41.3 Ų | 41.3 | 57% | 0.574 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 79 | 172.5 | -66.7 | 177.6 | -175.5 | 171.1 | 0 | 109.9 | V98 F133 | V98-K131 PolarHBondContact N-O 3.2Å; K131-F133 HydrophobicContact CB-CE2 4.4Å |
| 132 | A | 89.4 | Confident | 86.5 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 132.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114 | V98 L100 L122 L125 R126 C130 | V98-A132 HydrophobicContact CB-CB 4.35Å; V98-A132 CarbonylContact O-C 3.49Å; V98-A132 VanDerWaalsContact O-CA 3.29Å; V98-A132 WeakPolarHBondContact O-CA 3.5Å; L100-A132 HydrophobicContact CD1-CB 4.17Å; L122-A132 VanDerWaalsContact CD1-C 3.5Å; L122-A132 HydrophobicContact CD1-CB 3.76Å; L122-A132 WeakPolarHBondContact CD1-O 3.09Å; L125-A132 HydrophobicContact CB-CB 3.77Å; L125-A132 HydrophobicContact CD1-CB 4.23Å; R126-A132 HydrophobicContact CG-CB 4.25Å; R126-A132 PolarHBondContact NE-O 3.31Å; R126-A132 VanDerWaalsContact NE-O 3.16Å; R126-A132 PolarHBondContact NH2-O 3.4Å; C130-A132 VanDerWaalsContact C-N 3.34Å; C130-A132 PolarHBondContact O-N 2.86Å |
| 133 | F | 90.8 | Very high | 87 | Confident | 45 Ų | 45 | 44.1 Ų | 44.1 | 20% | 0.197 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 165.8 | 177.6 | -58.9 | -91.4 | 0 | 0 | 0 | 110.1 | S17 K19 M97 V98 L99 L100 K131 | S17-F133 WeakPolarHBondContact O-CA 3.25Å; K19-F133 HydrophobicContact CG-CB 4.03Å; K19-F133 HydrophobicContact CG-CG 4.34Å; M97-F133 HydrophobicContact CE-CE2 4.1Å; M97-F133 HydrophobicContact CG-CD2 3.59Å; M97-F133 HydrophobicContact CG-CE2 3.75Å; M97-F133 HydrophobicContact SD-CD2 3.75Å; M97-F133 HydrophobicContact SD-CE2 3.83Å; V98-F133 PolarHBondContact O-N 3.08Å; L99-F133 WeakPolarHBondContact CA-O 3.38Å; L99-F133 HydrophobicContact CD1-CB 3.85Å; L100-F133 VanDerWaalsContact CD1-O 3.22Å; L100-F133 WeakPolarHBondContact CD1-O 3.5Å; L100-F133 PolarHBondContact N-O 3.31Å; K131-F133 HydrophobicContact CB-CE2 4.4Å |
| 134 | Y | 89.2 | Confident | 87.4 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 8% | 0.075 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 156.2 | 170.8 | 75.4 | -87.7 | 0 | 0 | 0 | 112.4 | S17 S18 K19 L100 W108 L122 E136 | S17-Y134 WeakPolarHBondContact O-CD1 2.82Å; S17-Y134 WeakPolarHBondContact O-CE1 3.43Å; S17-Y134 PolarHBondContact O-N 3.41Å; S18-Y134 CarbonylContact C-O 3.36Å; S18-Y134 WeakPolarHBondContact CA-O 3.27Å; S18-Y134 VanDerWaalsContact CB-CE1 3.5Å; S18-Y134 WeakPolarHBondContact CB-OH 3.19Å; K19-Y134 PolarHBondContact N-O 3.19Å; L100-Y134 CarbonylContact O-C 3.55Å; L100-Y134 WeakPolarHBondContact O-CA 3.41Å; W108-Y134 VanDerWaalsContact CB-OH 3.22Å; W108-Y134 WeakPolarHBondContact CB-OH 3.44Å; W108-Y134 AromaticContact CD2-CE1 3.98Å; W108-Y134 HydrophobicContact CD2-CE1 3.98Å; W108-Y134 HydrophobicContact CE3-CD1 4.4Å; W108-Y134 AromaticContact CE3-CE1 3.95Å; W108-Y134 HydrophobicContact CE3-CE1 3.95Å; W108-Y134 HydrophobicContact CE3-CE2 4.36Å; W108-Y134 AromaticContact CE3-CZ 3.94Å; W108-Y134 HydrophobicContact CG-CE1 4.28Å; W108-Y134 HydrophobicContact CZ3-CD1 4.41Å; W108-Y134 HydrophobicContact CZ3-CE1 4.39Å; L122-Y134 HydrophobicContact CD2-CD1 4.16Å; Y134-E136 HydrophobicContact CE2-CG 4.14Å |
| 135 | L | 90.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 123.5 | 177.3 | -172.8 | 63.9 | 0 | 0 | 0 | 111.1 | K19 V21 L24 I53 L99 L100 Y101 G138 F142 | K19-L135 WeakPolarHBondContact O-CA 3.45Å; V21-L135 HydrophobicContact CG1-CD1 4.01Å; V21-L135 HydrophobicContact CG1-CD2 4.47Å; V21-L135 HydrophobicContact CG1-CG 4.19Å; L24-L135 HydrophobicContact CB-CD1 3.99Å; L24-L135 HydrophobicContact CD2-CD1 3.79Å; L24-L135 HydrophobicContact CD2-CD2 3.76Å; L24-L135 HydrophobicContact CD2-CG 4.41Å; I53-L135 HydrophobicContact CD1-CD2 4.01Å; L99-L135 HydrophobicContact CD2-CD1 4.34Å; L100-L135 PolarHBondContact O-N 3.24Å; Y101-L135 HydrophobicContact CG-CD2 4.41Å; L135-G138 PolarHBondContact O-N 3.28Å; L135-F142 HydrophobicContact CD2-CB 4.07Å; L135-F142 HydrophobicContact CD2-CD2 4.36Å; L135-F142 HydrophobicContact CD2-CG 4.36Å |
| 136 | E | 88.3 | Confident | 88.3 | Confident | 71 Ų | 71 | 49.1 Ų | 49.1 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 130 | 178.1 | -63.9 | 179 | 173.5 | 0 | 0 | 111.5 | S18 K19 V21 Y134 G138 | S18-E136 WeakPolarHBondContact CB-OE1 3.4Å; S18-E136 PolarHBondContact OG-OE1 3.38Å; K19-E136 PolarHBondContact O-N 3.32Å; V21-E136 WeakPolarHBondContact CG1-O 3Å; Y134-E136 HydrophobicContact CE2-CG 4.14Å; E136-G138 PolarHBondContact O-N 3.29Å |
| 137 | G | 82 | Confident | 88.5 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | -2.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T105 K141 | T105-G137 WeakPolarHBondContact O-CA 3.2Å; T105-G137 PolarHBondContact O-N 3.06Å; G137-K141 VanDerWaalsContact O-CB 3.32Å; G137-K141 WeakPolarHBondContact O-CB 2.96Å; G137-K141 PolarHBondContact O-N 3.43Å |
| 138 | G | 89.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | 61.9 | -161.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | D102 L135 E136 F142 | D102-G138 CarbonylContact O-C 3.58Å; D102-G138 WeakPolarHBondContact O-CA 3.33Å; L135-G138 PolarHBondContact O-N 3.28Å; E136-G138 PolarHBondContact O-N 3.29Å; G138-F142 PolarHBondContact O-N 2.94Å |
| 139 | F | 92 | Very high | 89.1 | Confident | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -41.4 | -179.4 | -177 | -102.9 | 0 | 0 | 0 | 112.4 | R43 S51 I53 Y101 D102 E103 K141 F142 Q143 C150 | R43-F139 VanDerWaalsContact CZ-CD1 3.5Å; R43-F139 VanDerWaalsContact CZ-CG 3.45Å; R43-F139 VanDerWaalsContact NH1-CE1 3.34Å; S51-F139 WeakPolarHBondContact OG-CZ 3.34Å; I53-F139 HydrophobicContact CD1-CD2 4.43Å; I53-F139 HydrophobicContact CG1-CD2 3.85Å; I53-F139 HydrophobicContact CG1-CE2 3.91Å; Y101-F139 HydrophobicContact CD2-CB 3.88Å; Y101-F139 HydrophobicContact CD2-CD2 4.37Å; Y101-F139 HydrophobicContact CE2-CB 4Å; Y101-F139 AromaticContact CE2-CD2 3.75Å; Y101-F139 HydrophobicContact CE2-CD2 3.75Å; Y101-F139 HydrophobicContact CE2-CG 4.25Å; D102-F139 WeakPolarHBondContact O-CB 3.2Å; D102-F139 PolarHBondContact O-N 2.79Å; E103-F139 PolarHBondContact O-N 3.18Å; F139-K141 PolarHBondContact O-N 3.46Å; F139-F142 PolarHBondContact O-N 2.97Å; F139-Q143 HydrophobicContact CD1-CB 4.32Å; F139-Q143 HydrophobicContact CE1-CB 3.94Å; F139-Q143 VanDerWaalsContact CE1-CD 3.47Å; F139-Q143 HydrophobicContact CE1-CG 4.17Å; F139-Q143 HydrophobicContact CE2-CB 4.49Å; F139-Q143 HydrophobicContact CZ-CB 4.02Å; F139-Q143 HydrophobicContact CZ-CG 4.19Å; F139-Q143 WeakPolarHBondContact O-CB 3.33Å; F139-Q143 PolarHBondContact O-N 2.65Å; F139-C150 HydrophobicContact CZ-CB 4.48Å |
| 140 | N | 89.1 | Confident | 89.5 | Confident | 58 Ų | 58 | 45.1 Ų | 45.1 | 31% | 0.31 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.7 | -40.8 | -175.8 | -78.1 | -24.5 | 0 | 0 | 0 | 112.9 | E103 T144 | E103-N140 WeakPolarHBondContact O-CB 3.44Å; E103-N140 VanDerWaalsContact O-CG 3.29Å; E103-N140 PolarHBondContact O-N 3.34Å; E103-N140 PolarHBondContact O-ND2 2.99Å; E103-N140 PolarHBondContact OE1-ND2 2.88Å; E103-N140 PolarHBondContact OE1-OD1 2.78Å; N140-T144 WeakPolarHBondContact O-CB 3.4Å; N140-T144 PolarHBondContact O-N 3.4Å; N140-T144 VanDerWaalsContact O-N 3.15Å; N140-T144 PolarHBondContact O-OG1 3.07Å |
| 141 | K | 89.7 | Confident | 89.5 | Confident | 70 Ų | 70 | 48.8 Ų | 48.8 | 30% | 0.304 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.6 | -47.9 | 175 | -170.3 | -175.4 | 175.1 | -162.1 | 0 | 110.3 | V21 E22 G137 F139 T144 E145 | V21-K141 HydrophobicContact CG1-CB 4.21Å; V21-K141 HydrophobicContact CG1-CD 4Å; V21-K141 HydrophobicContact CG1-CG 4.07Å; V21-K141 HydrophobicContact CG2-CD 3.94Å; V21-K141 HydrophobicContact CG2-CG 4.18Å; E22-K141 IonicContact OE1-NZ 2.7Å; G137-K141 VanDerWaalsContact O-CB 3.32Å; G137-K141 WeakPolarHBondContact O-CB 2.96Å; G137-K141 PolarHBondContact O-N 3.43Å; F139-K141 PolarHBondContact O-N 3.46Å; K141-T144 PolarHBondContact O-N 3.39Å; K141-E145 WeakPolarHBondContact CE-OE1 3.09Å; K141-E145 WeakPolarHBondContact CG-OE1 3.41Å; K141-E145 IonicContact NZ-OE1 3.56Å; K141-E145 PolarHBondContact O-N 3.37Å; K141-E145 VanDerWaalsContact O-N 3.16Å |
| 142 | F | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -47.6 | -179.3 | -171 | -92.5 | 0 | 0 | 0 | 112.6 | V21 L24 Q25 L28 I53 L135 G138 F139 T144 E145 Y146 H149 | V21-F142 HydrophobicContact CB-CD2 3.93Å; V21-F142 HydrophobicContact CG1-CB 3.94Å; V21-F142 HydrophobicContact CG1-CD2 4.09Å; L24-F142 HydrophobicContact CB-CD2 4.4Å; L24-F142 HydrophobicContact CB-CE2 3.93Å; L24-F142 HydrophobicContact CD2-CD2 3.79Å; L24-F142 HydrophobicContact CD2-CE2 3.59Å; L24-F142 HydrophobicContact CD2-CG 4.46Å; L24-F142 HydrophobicContact CD2-CZ 4.1Å; L24-F142 HydrophobicContact CG-CD2 4.26Å; L24-F142 HydrophobicContact CG-CE2 3.63Å; L24-F142 HydrophobicContact CG-CZ 4.15Å; Q25-F142 HydrophobicContact CB-CE2 4.44Å; L28-F142 HydrophobicContact CD1-CZ 3.75Å; I53-F142 HydrophobicContact CD1-CB 4.37Å; I53-F142 HydrophobicContact CD1-CD1 3.55Å; I53-F142 HydrophobicContact CD1-CD2 4.48Å; I53-F142 HydrophobicContact CD1-CE1 3.92Å; I53-F142 HydrophobicContact CD1-CG 3.86Å; I53-F142 HydrophobicContact CG1-CD1 3.66Å; I53-F142 HydrophobicContact CG1-CE1 3.89Å; I53-F142 HydrophobicContact CG1-CG 4.45Å; I53-F142 HydrophobicContact CG2-CE1 3.98Å; I53-F142 HydrophobicContact CG2-CZ 4.44Å; L135-F142 HydrophobicContact CD2-CB 4.07Å; L135-F142 HydrophobicContact CD2-CD2 4.36Å; L135-F142 HydrophobicContact CD2-CG 4.36Å; G138-F142 PolarHBondContact O-N 2.94Å; F139-F142 PolarHBondContact O-N 2.97Å; F142-T144 VanDerWaalsContact C-N 3.29Å; F142-T144 PolarHBondContact O-N 3.26Å; F142-E145 PolarHBondContact O-N 2.95Å; F142-Y146 HydrophobicContact CD2-CD2 4.01Å; F142-Y146 AromaticContact CE2-CD2 3.94Å; F142-Y146 HydrophobicContact CE2-CD2 3.94Å; F142-Y146 HydrophobicContact CE2-CG 4.42Å; F142-Y146 WeakPolarHBondContact O-CA 3.46Å; F142-Y146 PolarHBondContact O-N 2.62Å; F142-H149 HydrophobicContact CE1-CB 3.81Å; F142-H149 HydrophobicContact CZ-CB 3.89Å |
| 143 | Q | 92.7 | Very high | 88.1 | Confident | 63 Ų | 63 | 50.6 Ų | 50.6 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.3 | -34.6 | 179 | -175.4 | -177.7 | 46.5 | 0 | 0 | 112.5 | S51 F139 P147 | S51-Q143 PolarHBondContact OG-NE2 2.97Å; F139-Q143 HydrophobicContact CD1-CB 4.32Å; F139-Q143 HydrophobicContact CE1-CB 3.94Å; F139-Q143 VanDerWaalsContact CE1-CD 3.47Å; F139-Q143 HydrophobicContact CE1-CG 4.17Å; F139-Q143 HydrophobicContact CE2-CB 4.49Å; F139-Q143 HydrophobicContact CZ-CB 4.02Å; F139-Q143 HydrophobicContact CZ-CG 4.19Å; F139-Q143 WeakPolarHBondContact O-CB 3.33Å; F139-Q143 PolarHBondContact O-N 2.65Å; Q143-P147 WeakPolarHBondContact O-CB 3.38Å |
| 144 | T | 88.9 | Confident | 86.2 | Confident | 116 Ų | 116 | 54.7 Ų | 54.7 | 71% | 0.712 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -69.4 | -38.6 | 179.2 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | N140 K141 F142 | N140-T144 WeakPolarHBondContact O-CB 3.4Å; N140-T144 PolarHBondContact O-N 3.4Å; N140-T144 VanDerWaalsContact O-N 3.15Å; N140-T144 PolarHBondContact O-OG1 3.07Å; K141-T144 PolarHBondContact O-N 3.39Å; F142-T144 VanDerWaalsContact C-N 3.29Å; F142-T144 PolarHBondContact O-N 3.26Å |
| 145 | E | 91.8 | Very high | 83.8 | Confident | 81 Ų | 81 | 61.1 Ų | 61.1 | 38% | 0.379 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -89 | -33.8 | -176 | -67.3 | 179.6 | -150.4 | 0 | 0 | 112.8 | V21 K141 F142 | V21-E145 VanDerWaalsContact CG2-OE2 3.27Å; V21-E145 WeakPolarHBondContact CG2-OE2 3.48Å; K141-E145 WeakPolarHBondContact CE-OE1 3.09Å; K141-E145 WeakPolarHBondContact CG-OE1 3.41Å; K141-E145 IonicContact NZ-OE1 3.56Å; K141-E145 PolarHBondContact O-N 3.37Å; K141-E145 VanDerWaalsContact O-N 3.16Å; F142-E145 PolarHBondContact O-N 2.95Å |
| 146 | Y | 91.8 | Very high | 81 | Confident | 39 Ų | 39 | 65.8 Ų | 65.8 | 15% | 0.153 | 35% | 0.351 | C | S | . | . | trans | -135.8 | 60.7 | -172.1 | -52.4 | -68.7 | 0 | 0 | 0 | 112.4 | V21 E22 Q25 F142 E148 H149 | V21-Y146 HydrophobicContact CB-CD2 4.4Å; V21-Y146 HydrophobicContact CB-CE2 4.07Å; V21-Y146 HydrophobicContact CG2-CE2 4.04Å; E22-Y146 WeakPolarHBondContact CG-OH 3.41Å; Q25-Y146 HydrophobicContact CB-CD1 3.9Å; Q25-Y146 HydrophobicContact CB-CD2 4.08Å; Q25-Y146 HydrophobicContact CB-CE1 3.92Å; Q25-Y146 HydrophobicContact CB-CE2 4.14Å; Q25-Y146 HydrophobicContact CB-CG 3.97Å; Q25-Y146 HydrophobicContact CG-CD1 3.56Å; Q25-Y146 HydrophobicContact CG-CE1 3.66Å; Q25-Y146 HydrophobicContact CG-CG 4.08Å; F142-Y146 HydrophobicContact CD2-CD2 4.01Å; F142-Y146 AromaticContact CE2-CD2 3.94Å; F142-Y146 HydrophobicContact CE2-CD2 3.94Å; F142-Y146 HydrophobicContact CE2-CG 4.42Å; F142-Y146 WeakPolarHBondContact O-CA 3.46Å; F142-Y146 PolarHBondContact O-N 2.62Å; Y146-E148 WeakPolarHBondContact CA-OE1 3.49Å; Y146-E148 WeakPolarHBondContact CB-OE1 3.48Å; Y146-E148 PolarHBondContact O-N 3.25Å; Y146-H149 PolarHBondContact O-N 2.85Å | ||
| 147 | P | 88.9 | Confident | 78.2 | Confident | 76 Ų | 76 | 68.3 Ų | 68.3 | 49% | 0.494 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -63.8 | -25.6 | -177 | 26.4 | -35.3 | 0 | 0 | 0 | 113.8 | Q143 H149 C150 | Q143-P147 WeakPolarHBondContact O-CB 3.38Å; P147-H149 PolarHBondContact O-N 3.43Å; P147-C150 PolarHBondContact O-N 3.36Å; P147-C150 VanDerWaalsContact O-N 3.15Å |
| 148 | E | 88.9 | Confident | 75.7 | Confident | 117 Ų | 117 | 73.1 Ų | 73.1 | 55% | 0.547 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -64.6 | -21.5 | 179.3 | 66.1 | -72.2 | 163.3 | 0 | 0 | 114 | Y146 | Y146-E148 WeakPolarHBondContact CA-OE1 3.49Å; Y146-E148 WeakPolarHBondContact CB-OE1 3.48Å; Y146-E148 PolarHBondContact O-N 3.25Å |
| 149 | H | 88.5 | Confident | 73.2 | Confident | 25 Ų | 25 | 79.2 Ų | 79.2 | 12% | 0.116 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -95.5 | 9.1 | 177.7 | -69.7 | -63.6 | 0 | 0 | 0 | 113.1 | L28 E54 F142 Y146 P147 | L28-H149 HydrophobicContact CD1-CB 3.95Å; E54-H149 PolarHBondContact N-O 3.09Å; F142-H149 HydrophobicContact CE1-CB 3.81Å; F142-H149 HydrophobicContact CZ-CB 3.89Å; Y146-H149 PolarHBondContact O-N 2.85Å; P147-H149 PolarHBondContact O-N 3.43Å |
| 150 | C | 90.4 | Very high | 70.4 | Confident | 16 Ų | 16 | 84.6 Ų | 84.6 | 11% | 0.108 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 126.5 | 176.8 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | H52 F139 P147 | H52-C150 CarbonylContact O-C 3.52Å; H52-C150 VanDerWaalsContact O-CA 3.25Å; H52-C150 WeakPolarHBondContact O-CA 3.39Å; F139-C150 HydrophobicContact CZ-CB 4.48Å; P147-C150 PolarHBondContact O-N 3.36Å; P147-C150 VanDerWaalsContact O-N 3.15Å |
| 151 | E | 87.4 | Confident | 67.8 | Low | 85 Ų | 85 | 87.2 Ų | 87.2 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 133.2 | 164.2 | -69.5 | 179.7 | -137.9 | 0 | 0 | 108.7 | S51 H52 E54 S55 | S51-E151 CarbonylContact C-O 3.34Å; S51-E151 WeakPolarHBondContact CA-O 3.37Å; S51-E151 WeakPolarHBondContact CB-O 3.41Å; S51-E151 PolarHBondContact OG-O 3.04Å; H52-E151 IonicContact CE1-OE2 3.15Å; H52-E151 PolarHBondContact N-O 3.33Å; H52-E151 IonicContact NE2-OE2 3.07Å; H52-E151 PolarHBondContact NE2-OE2 3.41Å; H52-E151 PolarHBondContact O-N 3.14Å; E54-E151 WeakPolarHBondContact CA-OE1 3.33Å; E54-E151 HydrophobicContact CB-CG 4.29Å; E54-E151 HydrophobicContact CG-CG 4.26Å; E54-E151 WeakPolarHBondContact CG-OE1 3.33Å; S55-E151 PolarHBondContact N-OE1 2.81Å |
| 152 | T | 81.4 | Confident | 65 | Low | 72 Ų | 72 | 89.1 Ų | 89.1 | 44% | 0.442 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 119.4 | 174.8 | 51.7 | 0 | 0 | 0 | 0 | 108 | S51 L154 | S51-T152 VanDerWaalsContact OG-CG2 3.26Å; S51-T152 WeakPolarHBondContact OG-CG2 3.34Å; T152-L154 VanDerWaalsContact C-N 3.33Å; T152-L154 PolarHBondContact O-N 3.06Å; T152-L154 WeakPolarHBondContact OG1-CD1 3.47Å |
| 153 | N | 66.5 | Low | 62.6 | Low | 101 Ų | 101 | 94.6 Ų | 94.6 | 54% | 0.54 | 57% | 0.566 | S | S | . | * | trans | -73.2 | 90.6 | 174.3 | -83 | -46.9 | 0 | 0 | 0 | 109.6 | E49 D155 | E49-N153 WeakPolarHBondContact O-CB 3.31Å; E49-N153 PolarHBondContact O-ND2 3.06Å; N153-D155 PolarHBondContact O-N 2.95Å | ||
| 154 | L | 51.9 | Low | 60.2 | Low | 131 Ų | 131 | 97.8 Ų | 97.8 | 69% | 0.686 | 59% | 0.592 | S | S | * | * | trans | -86 | 46.4 | 173.1 | -105.1 | 123.9 | 0 | 0 | 0 | 111.8 | T152 C156 | T152-L154 VanDerWaalsContact C-N 3.33Å; T152-L154 PolarHBondContact O-N 3.06Å; T152-L154 WeakPolarHBondContact OG1-CD1 3.47Å; L154-C156 PolarHBondContact O-N 3.36Å; L154-C156 VanDerWaalsContact O-N 3.09Å | ||
| 155 | D | 38.4 | Very low | 57.4 | Low | 153 Ų | 153 | 97.1 Ų | 97.1 | 82% | 0.818 | 60% | 0.599 | S | S | * | * | trans | -85.1 | 59.6 | 158.7 | -89 | -11.1 | 0 | 0 | 0 | 109.7 | N153 | N153-D155 PolarHBondContact O-N 2.95Š| ||
| 156 | C | 31.1 | Very low | 54.4 | Low | 100 Ų | 100 | 98.6 Ų | 98.6 | 68% | 0.676 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -137.1 | 93.4 | 157.1 | -87 | 0 | 0 | 0 | 0 | 105.4 | L154 C158 | L154-C156 PolarHBondContact O-N 3.36Å; L154-C156 VanDerWaalsContact O-N 3.09Å; C156-C158 VanDerWaalsContact C-N 3.32Å; C156-C158 PolarHBondContact O-N 3.02Å |
| 157 | S | 30.7 | Very low | 51.5 | Low | 123 Ų | 123 | 102.9 Ų | 102.9 | 86% | 0.86 | 65% | 0.648 | S | S | * | * | trans | -59.4 | 96.8 | 170.4 | -47.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 158 | C | 28.9 | Very low | 48.8 | Very low | 107 Ų | 107 | 107 Ų | 107 | 72% | 0.723 | 67% | 0.665 | S | S | * | * | trans | -138.9 | 126.4 | 156.7 | -74.4 | 0 | 0 | 0 | 0 | 105.6 | C156 | C156-C158 VanDerWaalsContact C-N 3.32Å; C156-C158 PolarHBondContact O-N 3.02Å | ||
| 159 | P | 36.7 | Very low | 45.9 | Very low | 127 Ų | 127 | 104.7 Ų | 104.7 | 83% | 0.825 | 67% | 0.672 | S | S | * | * | trans | -75.3 | 152.8 | -169 | 30.6 | -32.9 | 0 | 0 | 0 | 111.9 | ||||
| 160 | S | 33.1 | Very low | 43.3 | Very low | 117 Ų | 117 | 112.4 Ų | 112.4 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | 93.2 | 101.7 | 157.6 | 75.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 161 | S | 33.9 | Very low | 40.3 | Very low | 113 Ų | 113 | 114.8 Ų | 114.8 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | -72.4 | 145.7 | 125.6 | 45.6 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 162 | S | 31.9 | Very low | 38 | Very low | 109 Ų | 109 | 114.6 Ų | 114.6 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | cis | -171.7 | -160 | 10.1 | 40.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 163 | P | 40.5 | Very low | 35.6 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | -108.7 | -168.8 | -97.1 | 42.6 | -25.8 | 0 | 0 | 0 | 113.8 | |||||
| 164 | P | 43.3 | Very low | 34.3 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -86 | 143.8 | -152 | 36 | -34.6 | 0 | 0 | 0 | 114.7 | ||||
| 165 | A | 28.7 | Very low | 33.3 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -148.1 | 153.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 166 | S | 28.4 | Very low | 33 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -76.2 | 143.3 | -156.9 | -46.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 167 | V | 32.9 | Very low | 33 | Very low | 128 Ų | 128 | 126 Ų | 126 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | 42.5 | 135.8 | 143.2 | -153 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 168 | L | 30.8 | Very low | 32.9 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | 105.2 | 104.8 | 150.8 | -63.4 | 176.9 | 0 | 0 | 0 | 118.2 | ||||
| 169 | G | 29.3 | Very low | 33 | Very low | 67 Ų | 67 | 126.8 Ų | 126.8 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | 78.4 | 132.9 | 115.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 170 | L | 31.8 | Very low | 32.9 | Very low | 188 Ų | 188 | 125.7 Ų | 125.7 | 98% | 0.984 | 79% | 0.793 | S | S | * | * | trans | 71.1 | 132.4 | 166.9 | -60.5 | 142.2 | 0 | 0 | 0 | 113.1 | ||||
| 171 | G | 28.6 | Very low | 32.9 | Very low | 66 Ų | 66 | 127.8 Ų | 127.8 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | cis | 141.9 | 127 | 34 | 0 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 172 | G | 39.7 | Very low | 32.8 | Very low | 80 Ų | 80 | 125.5 Ų | 125.5 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -57.2 | 148.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 173 | L | 30.4 | Very low | 32.8 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -161.2 | 119.2 | 152.3 | -102.4 | 163 | 0 | 0 | 0 | 108.7 | ||||
| 174 | R | 39.3 | Very low | 32.5 | Very low | 238 Ų | 238 | 129.6 Ų | 129.6 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | -73.5 | 134 | 157.4 | -65.8 | -177.3 | 177 | 179.4 | -1.6 | 107.2 | ||||
| 175 | I | 31.6 | Very low | 32.1 | Very low | 144 Ų | 144 | 128.3 Ų | 128.3 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -138.2 | 114.2 | 159.4 | -62.3 | -174 | 0 | 0 | 0 | 108.1 | ||||
| 176 | N | 31 | Very low | 32.3 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -61.5 | 146.1 | 162 | -84.6 | 15.8 | 0 | 0 | 0 | 110.2 | ||||
| 177 | S | 30.8 | Very low | 32.7 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -133.3 | 101.3 | 153.2 | -73.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 178 | D | 30.3 | Very low | 32.6 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | trans | -56.7 | 160.3 | 147.8 | -82.1 | -25.4 | 0 | 0 | 0 | 109.9 | ||||
| 179 | C | 29.5 | Very low | 33.4 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | cis | -170.7 | 173.4 | 16.7 | -112.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 180 | S | 35.3 | Very low | 33.5 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | 109.8 | 130.1 | 152.3 | -37.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 181 | D | 33.3 | Very low | 33.5 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | cis | -168 | 153.6 | 1.1 | -101.2 | -26.5 | 0 | 0 | 0 | 109.8 | ||||
| 182 | G | 30.7 | Very low | 33.8 | Very low | 66 Ų | 66 | 137.1 Ų | 137.1 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | 121 | 95 | 144.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 183 | E | 32.1 | Very low | 33.4 | Very low | 196 Ų | 196 | 140 Ų | 140 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | 55.7 | 128.9 | 140.8 | -60.6 | -177.9 | 112.2 | 0 | 0 | 119.5 | ||||
| 184 | S | 33.8 | Very low | 34 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | cis | -176.5 | 159.8 | 32.1 | 44.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 185 | S | 34.8 | Very low | 33.7 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | 82.8 | 92.9 | 154.6 | -169.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 186 | D | 34.5 | Very low | 33.9 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | 43.6 | 106 | 125.6 | -59.1 | -25.1 | 0 | 0 | 0 | 121 | |||||
| 187 | R | 36 | Very low | 34.1 | Very low | 248 Ų | 248 | 134.4 Ų | 134.4 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | 167.8 | 125.3 | 115.2 | -87.9 | 166.3 | -170.4 | -171.6 | 4.4 | 111.7 | |||||
| 188 | E | 31.9 | Very low | 34.4 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -117.1 | 173.3 | 167.4 | -82.4 | -90.7 | 134 | 0 | 0 | 108.5 | ||||
| 189 | P | 46.6 | Very low | 35 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | -129.1 | 162.8 | -50.8 | 32.5 | -15.8 | 0 | 0 | 0 | 111.2 | |||||
| 190 | V | 31.7 | Very low | 35.1 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -137.6 | 129.9 | 160.6 | -146.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 191 | S | 31.9 | Very low | 35.3 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -66.9 | 156.3 | -175.7 | 52 | 0 | 0 | 0 | 0 | 116 | ||||
| 192 | A | 33.7 | Very low | 35.6 | Very low | 87 Ų | 87 | 134.2 Ų | 134.2 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | trans | 67.4 | 117.4 | 151.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 193 | T | 33.1 | Very low | 36.2 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | -174.9 | 146.1 | 98.5 | 35 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 194 | E | 41.5 | Very low | 37.1 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -50.9 | 135.6 | 175.3 | -59.2 | 168.1 | 161.1 | 0 | 0 | 112 | ||||
| 195 | S | 33.4 | Very low | 38.2 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -141.2 | 91.9 | 156.8 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | G197 | S195-G197 PolarHBondContact O-N 3.31Š| ||
| 196 | E | 36.3 | Very low | 40 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | -30.4 | 101.5 | 156.5 | -73.1 | -90.3 | 140.4 | 0 | 0 | 111.4 | S198 | E196-S198 PolarHBondContact O-N 3.09Š| ||
| 197 | G | 34.4 | Very low | 42.2 | Very low | 77 Ų | 77 | 127.4 Ų | 127.4 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | trans | -71.5 | 84.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | S195 | S195-G197 PolarHBondContact O-N 3.31Š| ||
| 198 | S | 37.4 | Very low | 44.9 | Very low | 96 Ų | 96 | 115.8 Ų | 115.8 | 67% | 0.671 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 127.7 | 173 | -58.9 | 0 | 0 | 0 | 0 | 109.6 | E196 L200 | E196-S198 PolarHBondContact O-N 3.09Å; S198-L200 PolarHBondContact O-N 3.13Å |
| 199 | P | 42.3 | Very low | 48 | Very low | 124 Ų | 124 | 107.7 Ų | 107.7 | 81% | 0.805 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 124 | 173 | 25.2 | -29 | 0 | 0 | 0 | 108.8 | ||
| 200 | L | 33.3 | Very low | 50.4 | Low | 162 Ų | 162 | 107.3 Ų | 107.3 | 85% | 0.848 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 132.7 | 169.4 | -68.8 | 160.9 | 0 | 0 | 0 | 109.3 | S198 N202 | S198-L200 PolarHBondContact O-N 3.13Å; L200-N202 PolarHBondContact O-N 3.43Å |
| 201 | P | 39.3 | Very low | 53.6 | Low | 109 Ų | 109 | 100.2 Ų | 100.2 | 71% | 0.708 | 60% | 0.601 | S | S | * | * | trans | -65.8 | 111.5 | 178.5 | 24.6 | -30 | 0 | 0 | 0 | 108.6 | N203 | P201-N203 VanDerWaalsContact C-N 3.28Å; P201-N203 PolarHBondContact O-N 2.96Å | ||
| 202 | N | 39.6 | Very low | 56.7 | Low | 136 Ų | 136 | 96.3 Ų | 96.3 | 73% | 0.727 | 57% | 0.571 | S | S | * | * | trans | -62.2 | 94.8 | 167.9 | -166.6 | 11.6 | 0 | 0 | 0 | 107 | L200 Q204 | L200-N202 PolarHBondContact O-N 3.43Å; N202-Q204 PolarHBondContact O-N 3.45Å; N202-Q204 VanDerWaalsContact OD1-CG 3.3Å; N202-Q204 WeakPolarHBondContact OD1-CG 3.45Å | ||
| 203 | N | 42.9 | Very low | 59.8 | Low | 155 Ų | 155 | 95.9 Ų | 95.9 | 83% | 0.829 | 56% | 0.561 | S | S | * | * | trans | -73.6 | 27.9 | -174.1 | -122.4 | 17.2 | 0 | 0 | 0 | 112.6 | P201 P205 | P201-N203 VanDerWaalsContact C-N 3.28Å; P201-N203 PolarHBondContact O-N 2.96Å; N203-P205 WeakPolarHBondContact O-CD 3.13Å | ||
| 204 | Q | 49.9 | Very low | 62.9 | Low | 133 Ų | 133 | 93.5 Ų | 93.5 | 62% | 0.621 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 119.2 | 171.2 | -70.6 | -95.1 | -32.6 | 0 | 0 | 107.3 | N202 A206 | N202-Q204 PolarHBondContact O-N 3.45Å; N202-Q204 VanDerWaalsContact OD1-CG 3.3Å; N202-Q204 WeakPolarHBondContact OD1-CG 3.45Å; Q204-A206 PolarHBondContact O-N 2.83Å |
| 205 | P | 57.8 | Low | 65.6 | Low | 58 Ų | 58 | 84.3 Ų | 84.3 | 38% | 0.377 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 133 | 176.5 | 22.3 | -30.5 | 0 | 0 | 0 | 109.2 | N203 F207 | N203-P205 WeakPolarHBondContact O-CD 3.13Å; P205-F207 WeakPolarHBondContact O-CD2 3.13Å; P205-F207 PolarHBondContact O-N 2.88Å |
| 206 | A | 72.2 | Confident | 68.7 | Low | 75 Ų | 75 | 79.5 Ų | 79.5 | 62% | 0.62 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -58 | 126 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q204 P208 | Q204-A206 PolarHBondContact O-N 2.83Å; A206-P208 CarbonylContact O-C 3.59Å |
| 207 | F | 80.9 | Confident | 71.7 | Confident | 60 Ų | 60 | 71.3 Ų | 71.3 | 26% | 0.263 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -87.7 | 148 | 175 | -77.8 | -84.1 | 0 | 0 | 0 | 111 | P205 V209 D222 K328 | P205-F207 WeakPolarHBondContact O-CD2 3.13Å; P205-F207 PolarHBondContact O-N 2.88Å; F207-V209 HydrophobicContact CD1-CG2 4.07Å; F207-V209 HydrophobicContact CE1-CG2 3.89Å; F207-V209 HydrophobicContact CZ-CG2 4.47Å; F207-D222 WeakPolarHBondContact CB-OD1 3.38Å; F207-K328 HydrophobicContact CE1-CD 4.19Å; F207-K328 VanDerWaalsContact CE1-NZ 3.26Å; F207-K328 VanDerWaalsContact CZ-NZ 3.34Å |
| 208 | P | 92.9 | Very high | 74.6 | Confident | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.019 | 38% | 0.382 | C | S | . | . | S | Bend | cis | -73.2 | 152.1 | -8.1 | 32.9 | -37.9 | 0 | 0 | 0 | 111.9 | A206 Y216 D222 I228 Y232 I234 L291 | A206-P208 CarbonylContact O-C 3.59Å; P208-Y216 HydrophobicContact CG-CD1 4.36Å; P208-Y216 HydrophobicContact CG-CG 4.5Å; P208-D222 HydrophobicContact CB-CB 4.32Å; P208-I228 HydrophobicContact CG-CG2 4.05Å; P208-Y232 HydrophobicContact CG-CD2 4.44Å; P208-I234 HydrophobicContact CG-CD1 4.3Å; P208-L291 HydrophobicContact CB-CD1 3.71Å; P208-L291 HydrophobicContact CG-CD1 4.23Å |
| 209 | V | 96.1 | Very high | 77.3 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 126.6 | -176 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | F207 I211 Y216 L217 K327 K328 | F207-V209 HydrophobicContact CD1-CG2 4.07Å; F207-V209 HydrophobicContact CE1-CG2 3.89Å; F207-V209 HydrophobicContact CZ-CG2 4.47Å; V209-I211 HydrophobicContact CG1-CD1 4.08Å; V209-I211 PolarHBondContact O-N 3.09Å; V209-Y216 WeakPolarHBondContact O-CA 3.44Å; V209-L217 PolarHBondContact N-O 3Å; V209-L217 PolarHBondContact O-N 3.18Å; V209-K327 HydrophobicContact CG1-CB 3.85Å; V209-K328 HydrophobicContact CG2-CB 4.38Å; V209-K328 HydrophobicContact CG2-CD 4.31Å |
| 210 | Q | 97.8 | Very high | 79.8 | Confident | 92 Ų | 92 | 59.1 Ų | 59.1 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 108.8 | 176.2 | -170 | -179.9 | 25.4 | 0 | 0 | 111.7 | L212 Y216 K327 | Q210-L212 WeakPolarHBondContact CG-O 3.41Å; Q210-Y216 HydrophobicContact CB-CD1 3.83Å; Q210-Y216 HydrophobicContact CB-CE1 3.7Å; Q210-Y216 HydrophobicContact CG-CD1 4.08Å; Q210-Y216 HydrophobicContact CG-CE1 3.69Å; Q210-K327 WeakPolarHBondContact O-CD 3.43Å; Q210-K327 PolarHBondContact O-NZ 3.28Å |
| 211 | I | 98.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -46.8 | -179.8 | -57 | -58.7 | 0 | 0 | 0 | 110.8 | V209 L215 L217 T305 L309 F323 V324 K327 | V209-I211 HydrophobicContact CG1-CD1 4.08Å; V209-I211 PolarHBondContact O-N 3.09Å; I211-L215 HydrophobicContact CB-CD2 4.35Å; I211-L215 HydrophobicContact CB-CG 4.28Å; I211-L215 HydrophobicContact CG2-CD2 4.36Å; I211-L215 PolarHBondContact N-O 2.94Å; I211-L217 HydrophobicContact CD1-CB 4.1Å; I211-L217 HydrophobicContact CD1-CD2 4.17Å; I211-L217 HydrophobicContact CG1-CB 3.69Å; I211-L217 HydrophobicContact CG1-CD2 4.48Å; I211-T305 HydrophobicContact CB-CG2 4.35Å; I211-T305 HydrophobicContact CG1-CG2 4.04Å; I211-T305 HydrophobicContact CG2-CG2 3.88Å; I211-L309 HydrophobicContact CG2-CD1 4.03Å; I211-L309 HydrophobicContact CG2-CD2 4.27Å; I211-F323 HydrophobicContact CG2-CD1 4.25Å; I211-F323 HydrophobicContact CG2-CE1 3.86Å; I211-F323 VanDerWaalsContact O-CE1 3.31Å; I211-F323 WeakPolarHBondContact O-CE1 3.45Å; I211-V324 HydrophobicContact CD1-CG1 4.07Å; I211-V324 HydrophobicContact CG2-CG2 4.42Å; I211-K327 HydrophobicContact CD1-CB 4.28Å; I211-K327 HydrophobicContact CD1-CD 4.22Å; I211-K327 PolarHBondContact O-NZ 2.9Å |
| 212 | L | 97.9 | Very high | 85.2 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 168.4 | 172 | -69.5 | 175.7 | 0 | 0 | 0 | 109.1 | Q210 Y214 L215 Y308 L309 L313 F323 | Q210-L212 WeakPolarHBondContact CG-O 3.41Å; L212-Y214 PolarHBondContact O-N 3.01Å; L212-Y214 VanDerWaalsContact O-N 3.1Å; L212-L215 HydrophobicContact CB-CB 4.1Å; L212-L215 HydrophobicContact CB-CD2 4.49Å; L212-L215 HydrophobicContact CD1-CD2 4.38Å; L212-L215 PolarHBondContact N-O 3.19Å; L212-L215 PolarHBondContact O-N 3.04Å; L212-Y308 HydrophobicContact CD1-CE1 4.22Å; L212-L309 HydrophobicContact CD1-CD2 3.54Å; L212-L309 HydrophobicContact CG-CD2 4Å; L212-L313 HydrophobicContact CD1-CD1 4.21Å; L212-L313 HydrophobicContact CD2-CD1 4.37Å; L212-F323 HydrophobicContact CD2-CE1 4.23Å; L212-F323 HydrophobicContact CD2-CZ 3.89Å |
| 213 | P | 98 | Very high | 87.8 | Confident | 78 Ų | 78 | 48.7 Ų | 48.7 | 51% | 0.506 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 124.4 | 165.1 | -28.3 | 36.3 | 0 | 0 | 0 | 110.4 | L215 R284 | P213-L215 VanDerWaalsContact C-N 3.25Å; P213-L215 PolarHBondContact O-N 3.05Å; P213-R284 PolarHBondContact O-NE 3.48Å; P213-R284 PolarHBondContact O-NH2 2.91Å |
| 214 | Y | 98.4 | Very high | 90.3 | Very high | 91 Ų | 91 | 44.7 Ų | 44.7 | 36% | 0.357 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 6.5 | -177.4 | -43.8 | -75 | 0 | 0 | 0 | 116.8 | L212 K287 C288 G289 I290 | L212-Y214 PolarHBondContact O-N 3.01Å; L212-Y214 VanDerWaalsContact O-N 3.1Å; Y214-K287 WeakPolarHBondContact CD1-O 3.44Å; Y214-K287 HydrophobicContact CE1-CB 3.98Å; Y214-K287 VanDerWaalsContact CE1-O 3.29Å; Y214-K287 WeakPolarHBondContact CE1-O 3.16Å; Y214-K287 HydrophobicContact CE2-CB 4.21Å; Y214-K287 HydrophobicContact CE2-CG 4.26Å; Y214-C288 WeakPolarHBondContact CB-O 3.22Å; Y214-G289 CarbonylContact O-C 3.57Å; Y214-G289 WeakPolarHBondContact O-CA 3.48Å; Y214-I290 WeakPolarHBondContact O-CG2 3.23Å; Y214-I290 PolarHBondContact O-N 2.94Å |
| 215 | L | 98.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118 | 176.2 | 175.1 | 60.8 | 0 | 0 | 0 | 110.6 | I211 L212 P213 I280 I290 V292 Y308 | I211-L215 HydrophobicContact CB-CD2 4.35Å; I211-L215 HydrophobicContact CB-CG 4.28Å; I211-L215 HydrophobicContact CG2-CD2 4.36Å; I211-L215 PolarHBondContact N-O 2.94Å; L212-L215 HydrophobicContact CB-CB 4.1Å; L212-L215 HydrophobicContact CB-CD2 4.49Å; L212-L215 HydrophobicContact CD1-CD2 4.38Å; L212-L215 PolarHBondContact N-O 3.19Å; L212-L215 PolarHBondContact O-N 3.04Å; P213-L215 VanDerWaalsContact C-N 3.25Å; P213-L215 PolarHBondContact O-N 3.05Å; L215-I280 HydrophobicContact CD1-CG2 3.99Å; L215-I280 HydrophobicContact CD2-CG2 4.48Å; L215-I290 HydrophobicContact CD1-CG2 3.88Å; L215-V292 HydrophobicContact CD1-CG2 3.83Å; L215-Y308 HydrophobicContact CD2-CD1 3.67Å; L215-Y308 HydrophobicContact CD2-CE1 3.84Å |
| 216 | Y | 98.8 | Very high | 94.1 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.9 | -178 | -57.8 | -90.4 | 0 | 0 | 0 | 110.7 | P208 V209 Q210 Y232 I234 I290 L291 V292 | P208-Y216 HydrophobicContact CG-CD1 4.36Å; P208-Y216 HydrophobicContact CG-CG 4.5Å; V209-Y216 WeakPolarHBondContact O-CA 3.44Å; Q210-Y216 HydrophobicContact CB-CD1 3.83Å; Q210-Y216 HydrophobicContact CB-CE1 3.7Å; Q210-Y216 HydrophobicContact CG-CD1 4.08Å; Q210-Y216 HydrophobicContact CG-CE1 3.69Å; Y216-Y232 AromaticContact CE1-CD1 3.71Å; Y216-Y232 HydrophobicContact CE1-CD1 3.71Å; Y216-Y232 HydrophobicContact CE1-CE1 4.36Å; Y216-Y232 AromaticContact CE1-CG 3.9Å; Y216-Y232 HydrophobicContact CE1-CG 3.9Å; Y216-Y232 AromaticContact CZ-CD1 3.92Å; Y216-I234 HydrophobicContact CD2-CD1 3.94Å; Y216-I234 HydrophobicContact CD2-CG1 3.87Å; Y216-I234 HydrophobicContact CE2-CD1 4.43Å; Y216-I234 HydrophobicContact CE2-CG1 4.09Å; Y216-I234 HydrophobicContact CG-CD1 4.14Å; Y216-I290 PolarHBondContact N-O 3.34Å; Y216-L291 WeakPolarHBondContact O-CA 3.28Å; Y216-V292 PolarHBondContact O-N 2.79Å |
| 217 | L | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.8 | 176.9 | 171.1 | 65.6 | 0 | 0 | 0 | 109.3 | V209 I211 S301 V302 V324 K328 | V209-L217 PolarHBondContact N-O 3Å; V209-L217 PolarHBondContact O-N 3.18Å; I211-L217 HydrophobicContact CD1-CB 4.1Å; I211-L217 HydrophobicContact CD1-CD2 4.17Å; I211-L217 HydrophobicContact CG1-CB 3.69Å; I211-L217 HydrophobicContact CG1-CD2 4.48Å; L217-S301 WeakPolarHBondContact CD1-OG 3.32Å; L217-V302 HydrophobicContact CD1-CG2 4.28Å; L217-V302 HydrophobicContact CD2-CG2 3.86Å; L217-V324 HydrophobicContact CD2-CG1 3.86Å; L217-K328 HydrophobicContact CD2-CD 3.91Å; L217-K328 HydrophobicContact CG-CD 4.46Å |
| 218 | G | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | -170.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D222 V292 H293 G297 | G218-D222 WeakPolarHBondContact CA-OD2 3.4Å; G218-V292 PolarHBondContact N-O 3.29Å; G218-V292 VanDerWaalsContact N-O 3.08Å; G218-H293 WeakPolarHBondContact O-CA 3.43Å; G218-G297 WeakPolarHBondContact O-CA 3.49Å |
| 219 | C | 94.6 | Very high | 95.9 | Very high | 22 Ų | 22 | 44.2 Ų | 44.2 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | trans | -114.2 | -178.1 | 179.7 | 71.7 | 0 | 0 | 0 | 0 | 111.2 | K221 D222 S223 C294 L295 | C219-K221 VanDerWaalsContact C-N 3.31Å; C219-K221 PolarHBondContact O-N 3.16Å; C219-D222 PolarHBondContact N-OD2 3.18Å; C219-D222 PolarHBondContact O-N 3.03Å; C219-D222 PolarHBondContact SG-OD2 3.25Å; C219-S223 PolarHBondContact O-N 3.11Å; C219-C294 CarbonylContact C-O 3.58Å; C219-L295 WeakPolarHBondContact CB-O 3.38Å | ||
| 220 | A | 93.7 | Very high | 95.8 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D222 S223 T224 L244 C294 L295 | A220-D222 VanDerWaalsContact C-N 3.28Å; A220-D222 PolarHBondContact O-N 3.16Å; A220-S223 PolarHBondContact O-N 3.29Å; A220-S223 VanDerWaalsContact O-N 3.1Å; A220-S223 PolarHBondContact O-OG 3.07Å; A220-T224 PolarHBondContact O-N 2.73Å; A220-L244 HydrophobicContact CB-CD1 3.59Å; A220-C294 PolarHBondContact N-O 2.68Å; A220-L295 HydrophobicContact CB-CD1 4.15Å; A220-L295 PolarHBondContact N-O 2.98Å |
| 221 | K | 93.8 | Very high | 95.7 | Very high | 170 Ų | 170 | 49.4 Ų | 49.4 | 74% | 0.739 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -58.1 | -41.9 | -179.9 | -62.3 | -178.3 | 179.9 | 179.2 | 0 | 111.6 | C219 S223 T224 N225 | C219-K221 VanDerWaalsContact C-N 3.31Å; C219-K221 PolarHBondContact O-N 3.16Å; K221-S223 VanDerWaalsContact C-N 3.31Å; K221-S223 PolarHBondContact O-N 3.3Å; K221-T224 PolarHBondContact O-N 3.48Å; K221-T224 PolarHBondContact O-OG1 3.08Å; K221-N225 PolarHBondContact O-N 3.13Å |
| 222 | D | 92.8 | Very high | 95.6 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 6% | 0.064 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 179.2 | -52.9 | -40.3 | 0 | 0 | 0 | 111.8 | F207 P208 G218 C219 A220 T224 N225 L291 | F207-D222 WeakPolarHBondContact CB-OD1 3.38Å; P208-D222 HydrophobicContact CB-CB 4.32Å; G218-D222 WeakPolarHBondContact CA-OD2 3.4Å; C219-D222 PolarHBondContact N-OD2 3.18Å; C219-D222 PolarHBondContact O-N 3.03Å; C219-D222 PolarHBondContact SG-OD2 3.25Å; A220-D222 VanDerWaalsContact C-N 3.28Å; A220-D222 PolarHBondContact O-N 3.16Å; D222-T224 PolarHBondContact O-N 3.07Å; D222-N225 PolarHBondContact O-N 2.93Å; D222-L291 HydrophobicContact CB-CD2 4.24Å |
| 223 | S | 95 | Very high | 95.5 | Very high | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.8 | -16.7 | 179.3 | 73.5 | 0 | 0 | 0 | 0 | 114.2 | C219 A220 K221 F248 H293 | C219-S223 PolarHBondContact O-N 3.11Å; A220-S223 PolarHBondContact O-N 3.29Å; A220-S223 VanDerWaalsContact O-N 3.1Å; A220-S223 PolarHBondContact O-OG 3.07Å; K221-S223 VanDerWaalsContact C-N 3.31Å; K221-S223 PolarHBondContact O-N 3.3Å; S223-F248 WeakPolarHBondContact O-CE2 3.23Å; S223-H293 PolarHBondContact OG-CE1 3.39Å |
| 224 | T | 94.3 | Very high | 95.5 | Very high | 70 Ų | 70 | 51.3 Ų | 51.3 | 43% | 0.429 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 1 | -178.9 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | A220 K221 D222 M247 F248 | A220-T224 PolarHBondContact O-N 2.73Å; K221-T224 PolarHBondContact O-N 3.48Å; K221-T224 PolarHBondContact O-OG1 3.08Å; D222-T224 PolarHBondContact O-N 3.07Å; T224-M247 HydrophobicContact CG2-CB 4.49Å; T224-M247 HydrophobicContact CG2-CG 3.5Å; T224-F248 WeakPolarHBondContact O-CZ 3.47Å |
| 225 | N | 93.9 | Very high | 95.5 | Very high | 56 Ų | 56 | 50.1 Ų | 50.1 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | trans | -100.4 | 96 | -175.7 | -172.4 | -41.6 | 0 | 0 | 0 | 111.2 | K221 D222 D227 I228 L229 | K221-N225 PolarHBondContact O-N 3.13Å; D222-N225 PolarHBondContact O-N 2.93Å; N225-D227 VanDerWaalsContact C-N 3.29Å; N225-D227 PolarHBondContact O-N 3.09Å; N225-D227 PolarHBondContact OD1-N 3.23Å; N225-I228 HydrophobicContact CB-CB 4.11Å; N225-I228 HydrophobicContact CB-CD1 4.15Å; N225-I228 HydrophobicContact CB-CG1 4.32Å; N225-I228 WeakPolarHBondContact ND2-CD1 3.49Å; N225-I228 PolarHBondContact O-N 2.84Å; N225-I228 WeakPolarHBondContact OD1-CG1 3.44Å; N225-I228 PolarHBondContact OD1-N 3.46Å; N225-L229 VanDerWaalsContact O-CG 3.23Å; N225-L229 WeakPolarHBondContact O-CG 3.3Å; N225-L229 PolarHBondContact O-N 3.42Å | ||
| 226 | L | 94.7 | Very high | 95.5 | Very high | 87 Ų | 87 | 50.8 Ų | 50.8 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.9 | -36.3 | -179.1 | -74.6 | 174.3 | 0 | 0 | 0 | 113.6 | I228 L229 G230 F248 F254 | L226-I228 PolarHBondContact O-N 3.17Å; L226-L229 PolarHBondContact O-N 3.38Å; L226-G230 PolarHBondContact O-N 2.8Å; L226-F248 HydrophobicContact CD1-CD1 4.42Å; L226-F248 HydrophobicContact CD1-CE1 3.83Å; L226-F248 HydrophobicContact CD1-CZ 4.12Å; L226-F248 HydrophobicContact CD2-CD1 3.88Å; L226-F248 HydrophobicContact CD2-CD2 3.81Å; L226-F248 HydrophobicContact CD2-CE1 3.74Å; L226-F248 HydrophobicContact CD2-CE2 3.66Å; L226-F248 HydrophobicContact CD2-CG 3.93Å; L226-F248 HydrophobicContact CD2-CZ 3.64Å; L226-F248 HydrophobicContact CG-CD1 4.32Å; L226-F248 HydrophobicContact CG-CE1 3.68Å; L226-F248 HydrophobicContact CG-CE2 3.95Å; L226-F248 HydrophobicContact CG-CZ 3.48Å; L226-F248 VanDerWaalsContact CG-CZ 3.48Å; L226-F254 HydrophobicContact CD2-CE2 3.8Å; L226-F254 HydrophobicContact CD2-CZ 3.87Å |
| 227 | D | 93.8 | Very high | 95.5 | Very high | 139 Ų | 139 | 50 Ų | 50 | 74% | 0.743 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.1 | -44.8 | -179.4 | -62.1 | -40.4 | 0 | 0 | 0 | 111 | N225 K231 | N225-D227 VanDerWaalsContact C-N 3.29Å; N225-D227 PolarHBondContact O-N 3.09Å; N225-D227 PolarHBondContact OD1-N 3.23Å; D227-K231 WeakPolarHBondContact O-CB 3.1Å; D227-K231 PolarHBondContact O-N 3.06Å |
| 228 | I | 92.7 | Very high | 95.5 | Very high | 37 Ų | 37 | 50 Ų | 50 | 19% | 0.19 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 177 | -72 | 179.5 | 0 | 0 | 0 | 110.7 | P208 N225 L226 G230 K231 Y232 | P208-I228 HydrophobicContact CG-CG2 4.05Å; N225-I228 HydrophobicContact CB-CB 4.11Å; N225-I228 HydrophobicContact CB-CD1 4.15Å; N225-I228 HydrophobicContact CB-CG1 4.32Å; N225-I228 WeakPolarHBondContact ND2-CD1 3.49Å; N225-I228 PolarHBondContact O-N 2.84Å; N225-I228 WeakPolarHBondContact OD1-CG1 3.44Å; N225-I228 PolarHBondContact OD1-N 3.46Å; L226-I228 PolarHBondContact O-N 3.17Å; I228-G230 VanDerWaalsContact C-N 3.32Å; I228-G230 PolarHBondContact O-N 2.89Å; I228-K231 PolarHBondContact O-N 2.75Å; I228-Y232 HydrophobicContact CG2-CD2 3.86Å; I228-Y232 HydrophobicContact CG2-CE2 4.02Å; I228-Y232 VanDerWaalsContact O-CD2 3.24Å; I228-Y232 WeakPolarHBondContact O-CD2 3.31Å; I228-Y232 PolarHBondContact O-N 3.5Å; I228-Y232 VanDerWaalsContact O-N 3.11Å |
| 229 | L | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 178.3 | -67.1 | 172.2 | 0 | 0 | 0 | 110.9 | N225 L226 N233 I234 I237 F248 F254 L291 | N225-L229 VanDerWaalsContact O-CG 3.23Å; N225-L229 WeakPolarHBondContact O-CG 3.3Å; N225-L229 PolarHBondContact O-N 3.42Å; L226-L229 PolarHBondContact O-N 3.38Å; L229-N233 PolarHBondContact O-N 3.21Å; L229-I234 HydrophobicContact CB-CB 4.4Å; L229-I234 HydrophobicContact CD2-CB 3.88Å; L229-I234 HydrophobicContact CD2-CD1 3.97Å; L229-I234 HydrophobicContact CD2-CG2 3.64Å; L229-I234 PolarHBondContact O-N 3.15Å; L229-I237 HydrophobicContact CD1-CD1 4.06Å; L229-I237 HydrophobicContact CD2-CD1 4.2Å; L229-F248 HydrophobicContact CD1-CD2 4Å; L229-F248 HydrophobicContact CD1-CE2 3.82Å; L229-F254 HydrophobicContact CB-CE1 4.02Å; L229-F254 HydrophobicContact CB-CZ 4.18Å; L229-F254 HydrophobicContact CD1-CE1 3.95Å; L229-F254 HydrophobicContact CD1-CZ 4.01Å; L229-F254 HydrophobicContact CG-CE1 4.47Å; L229-L291 HydrophobicContact CD2-CD2 3.99Å |
| 230 | G | 95.2 | Very high | 95.8 | Very high | 55 Ų | 55 | 49 Ų | 49 | 57% | 0.567 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -64.1 | -47.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L226 I228 Y232 N233 | L226-G230 PolarHBondContact O-N 2.8Å; I228-G230 VanDerWaalsContact C-N 3.32Å; I228-G230 PolarHBondContact O-N 2.89Å; G230-Y232 VanDerWaalsContact C-N 3.26Å; G230-Y232 PolarHBondContact O-N 3.11Å; G230-N233 PolarHBondContact O-N 3.39Å |
| 231 | K | 94.8 | Very high | 95.8 | Very high | 156 Ų | 156 | 48 Ų | 48 | 68% | 0.678 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -54.8 | -39.9 | 179.3 | 179.1 | -177.6 | 179 | -175.1 | 0 | 112.8 | D227 I228 | D227-K231 WeakPolarHBondContact O-CB 3.1Å; D227-K231 PolarHBondContact O-N 3.06Å; I228-K231 PolarHBondContact O-N 2.75Å |
| 232 | Y | 95.8 | Very high | 95.6 | Very high | 57 Ų | 57 | 42.7 Ų | 42.7 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 9 | -178.8 | -66.6 | -64.1 | 0 | 0 | 0 | 113.9 | P208 Y216 I228 G230 I234 | P208-Y232 HydrophobicContact CG-CD2 4.44Å; Y216-Y232 AromaticContact CE1-CD1 3.71Å; Y216-Y232 HydrophobicContact CE1-CD1 3.71Å; Y216-Y232 HydrophobicContact CE1-CE1 4.36Å; Y216-Y232 AromaticContact CE1-CG 3.9Å; Y216-Y232 HydrophobicContact CE1-CG 3.9Å; Y216-Y232 AromaticContact CZ-CD1 3.92Å; I228-Y232 HydrophobicContact CG2-CD2 3.86Å; I228-Y232 HydrophobicContact CG2-CE2 4.02Å; I228-Y232 VanDerWaalsContact O-CD2 3.24Å; I228-Y232 WeakPolarHBondContact O-CD2 3.31Å; I228-Y232 PolarHBondContact O-N 3.5Å; I228-Y232 VanDerWaalsContact O-N 3.11Å; G230-Y232 VanDerWaalsContact C-N 3.26Å; G230-Y232 PolarHBondContact O-N 3.11Å; Y232-I234 PolarHBondContact O-N 3.3Å |
| 233 | N | 96.6 | Very high | 95.3 | Very high | 82 Ų | 82 | 48.2 Ų | 48.2 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 42.3 | -175 | -171 | 38.4 | 0 | 0 | 0 | 112.3 | L229 G230 K235 G289 | L229-N233 PolarHBondContact O-N 3.21Å; G230-N233 PolarHBondContact O-N 3.39Å; N233-K235 PolarHBondContact O-N 2.93Å; N233-G289 WeakPolarHBondContact O-CA 3.27Å; N233-G289 PolarHBondContact O-N 2.93Å |
| 234 | I | 97.9 | Very high | 95 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 121.5 | 177.1 | -64.9 | 164.3 | 0 | 0 | 0 | 107.9 | P208 Y216 L229 Y232 Y236 I237 F254 G289 L291 | P208-I234 HydrophobicContact CG-CD1 4.3Å; Y216-I234 HydrophobicContact CD2-CD1 3.94Å; Y216-I234 HydrophobicContact CD2-CG1 3.87Å; Y216-I234 HydrophobicContact CE2-CD1 4.43Å; Y216-I234 HydrophobicContact CE2-CG1 4.09Å; Y216-I234 HydrophobicContact CG-CD1 4.14Å; L229-I234 HydrophobicContact CB-CB 4.4Å; L229-I234 HydrophobicContact CD2-CB 3.88Å; L229-I234 HydrophobicContact CD2-CD1 3.97Å; L229-I234 HydrophobicContact CD2-CG2 3.64Å; L229-I234 PolarHBondContact O-N 3.15Å; Y232-I234 PolarHBondContact O-N 3.3Å; I234-Y236 WeakPolarHBondContact CG2-O 3.29Å; I234-I237 HydrophobicContact CG2-CG1 4.23Å; I234-F254 WeakPolarHBondContact O-CE1 3.27Å; I234-G289 VanDerWaalsContact CA-O 3.32Å; I234-G289 WeakPolarHBondContact CA-O 3.24Å; I234-L291 HydrophobicContact CD1-CB 4.31Å; I234-L291 HydrophobicContact CG2-CB 3.92Å |
| 235 | K | 97.9 | Very high | 94.9 | Very high | 66 Ų | 66 | 50.3 Ų | 50.3 | 29% | 0.287 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | -8.4 | 178.2 | -66.2 | -72 | 179.6 | -179.5 | 0 | 112.2 | N233 D253 F254 K255 C288 G289 | N233-K235 PolarHBondContact O-N 2.93Å; K235-D253 WeakPolarHBondContact CD-O 3.33Å; K235-D253 IonicContact NZ-OD1 2.73Å; K235-D253 PolarHBondContact NZ-OD1 3.34Å; K235-F254 CarbonylContact O-C 3.34Å; K235-F254 WeakPolarHBondContact O-CA 3.32Å; K235-K255 PolarHBondContact O-N 3.24Å; K235-C288 HydrophobicContact CB-CB 4.25Å; K235-G289 PolarHBondContact N-O 3.3Å |
| 236 | Y | 98.7 | Very high | 95 | Very high | 13 Ų | 13 | 48.7 Ų | 48.7 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134.3 | 177.7 | -78.1 | -114.5 | 0 | 0 | 0 | 109.4 | I234 K255 F279 E282 A283 K286 C288 G289 I290 L291 | I234-Y236 WeakPolarHBondContact CG2-O 3.29Å; Y236-K255 WeakPolarHBondContact CA-O 2.93Å; Y236-K255 HydrophobicContact CD1-CB 4.19Å; Y236-K255 HydrophobicContact CD1-CD 4.14Å; Y236-K255 HydrophobicContact CE1-CB 4.2Å; Y236-K255 HydrophobicContact CE1-CD 3.47Å; Y236-K255 VanDerWaalsContact CE1-CD 3.47Å; Y236-K255 HydrophobicContact CE1-CG 4.32Å; Y236-K255 HydrophobicContact CG-CB 4.39Å; Y236-F279 HydrophobicContact CD1-CD2 4.23Å; Y236-F279 HydrophobicContact CD1-CE1 4.03Å; Y236-F279 AromaticContact CD1-CE2 3.64Å; Y236-F279 HydrophobicContact CD1-CE2 3.64Å; Y236-F279 AromaticContact CD1-CZ 3.54Å; Y236-F279 HydrophobicContact CD1-CZ 3.54Å; Y236-F279 HydrophobicContact CE1-CD2 4.45Å; Y236-F279 AromaticContact CE1-CE2 3.98Å; Y236-F279 HydrophobicContact CE1-CE2 3.98Å; Y236-F279 HydrophobicContact CE1-CZ 4.31Å; Y236-F279 HydrophobicContact CG-CZ 4.37Å; Y236-E282 HydrophobicContact CE1-CB 4.31Å; Y236-E282 HydrophobicContact CE1-CG 4.12Å; Y236-E282 PolarHBondContact OH-OE1 3.06Å; Y236-A283 HydrophobicContact CD1-CB 3.65Å; Y236-A283 HydrophobicContact CD2-CB 3.66Å; Y236-A283 HydrophobicContact CE1-CB 4.15Å; Y236-A283 HydrophobicContact CE2-CB 4.21Å; Y236-A283 HydrophobicContact CG-CB 3.39Å; Y236-K286 PolarHBondContact OH-NZ 2.89Å; Y236-C288 HydrophobicContact CD2-CB 4.15Å; Y236-C288 HydrophobicContact CE2-CB 4.29Å; Y236-G289 PolarHBondContact N-O 2.88Å; Y236-I290 VanDerWaalsContact O-CA 3.28Å; Y236-I290 WeakPolarHBondContact O-CA 3.44Å; Y236-L291 PolarHBondContact O-N 3.32Å |
| 237 | I | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 118.8 | 178.5 | -60.2 | 171.2 | 0 | 0 | 0 | 108.9 | L229 I234 F254 K255 Y256 K257 L291 | L229-I237 HydrophobicContact CD1-CD1 4.06Å; L229-I237 HydrophobicContact CD2-CD1 4.2Å; I234-I237 HydrophobicContact CG2-CG1 4.23Å; I237-F254 HydrophobicContact CD1-CD1 3.84Å; I237-F254 HydrophobicContact CD1-CE1 4.33Å; I237-F254 HydrophobicContact CD1-CG 4.34Å; I237-F254 HydrophobicContact CG1-CD1 4.44Å; I237-K255 PolarHBondContact N-O 2.92Å; I237-Y256 HydrophobicContact CB-CD1 3.71Å; I237-Y256 HydrophobicContact CB-CE1 3.56Å; I237-Y256 HydrophobicContact CB-CG 4.37Å; I237-Y256 HydrophobicContact CD1-CE1 3.78Å; I237-Y256 HydrophobicContact CD1-CE2 4.18Å; I237-Y256 VanDerWaalsContact CD1-CZ 3.5Å; I237-Y256 VanDerWaalsContact CD1-OH 3.31Å; I237-Y256 WeakPolarHBondContact CD1-OH 3.37Å; I237-Y256 HydrophobicContact CG1-CE1 4.24Å; I237-Y256 HydrophobicContact CG2-CD1 3.84Å; I237-Y256 HydrophobicContact CG2-CE1 3.51Å; I237-Y256 WeakPolarHBondContact O-CA 3.02Å; I237-K257 PolarHBondContact O-N 2.55Å; I237-L291 WeakPolarHBondContact CA-O 3.11Å; I237-L291 HydrophobicContact CG1-CB 4.47Å |
| 238 | L | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 104.1 | 173.9 | -178.5 | 59.5 | 0 | 0 | 0 | 109 | V240 K257 I259 A276 F279 I280 I290 L291 V292 H293 V304 | L238-V240 HydrophobicContact CG-CG2 4.19Å; L238-K257 WeakPolarHBondContact CA-O 3.5Å; L238-K257 HydrophobicContact CD1-CB 3.9Å; L238-K257 HydrophobicContact CD1-CD 3.97Å; L238-K257 HydrophobicContact CD1-CG 3.8Å; L238-K257 WeakPolarHBondContact CD1-O 3.49Å; L238-I259 HydrophobicContact CD1-CD1 3.87Å; L238-I259 HydrophobicContact CD1-CG1 4.12Å; L238-A276 HydrophobicContact CD2-CB 3.91Å; L238-F279 HydrophobicContact CB-CD1 4.09Å; L238-F279 HydrophobicContact CB-CE1 4.17Å; L238-F279 HydrophobicContact CD1-CD1 4.19Å; L238-I280 HydrophobicContact CD2-CD1 4.39Å; L238-I280 HydrophobicContact CD2-CG1 4.4Å; L238-I290 HydrophobicContact CB-CD1 4.34Å; L238-L291 PolarHBondContact N-O 3.26Å; L238-V292 HydrophobicContact CB-CG1 4.46Å; L238-V292 HydrophobicContact CB-CG2 4.26Å; L238-V292 HydrophobicContact CD2-CG1 4.08Å; L238-V292 HydrophobicContact CD2-CG2 4.18Å; L238-V292 HydrophobicContact CG-CG1 4.39Å; L238-H293 PolarHBondContact O-CD2 2.82Å; L238-H293 PolarHBondContact O-N 3.49Å; L238-V304 HydrophobicContact CD2-CG1 3.88Å |
| 239 | N | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 106.3 | -179.6 | 176.5 | 3.1 | 0 | 0 | 0 | 109.9 | T241 L244 N246 K257 Q258 I259 H293 | N239-T241 VanDerWaalsContact C-N 3.31Å; N239-T241 PolarHBondContact O-N 2.84Å; N239-T241 WeakPolarHBondContact OD1-CB 3.44Å; N239-T241 PolarHBondContact OD1-N 3.44Å; N239-T241 PolarHBondContact OD1-OG1 2.89Å; N239-L244 PolarHBondContact ND2-O 2.82Å; N239-N246 PolarHBondContact ND2-OD1 2.89Å; N239-K257 PolarHBondContact N-O 2.51Å; N239-Q258 HydrophobicContact CB-CG 4.29Å; N239-Q258 CarbonylContact O-C 3.49Å; N239-Q258 WeakPolarHBondContact O-CA 3.48Å; N239-I259 PolarHBondContact O-N 3.46Å; N239-H293 WeakPolarHBondContact CA-NE2 3.47Å; N239-H293 WeakPolarHBondContact CB-NE2 3.31Å |
| 240 | V | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -95.8 | 54.8 | 179.9 | -161.6 | 0 | 0 | 0 | 0 | 110.2 | L238 I259 L269 V292 H293 R300 V304 | L238-V240 HydrophobicContact CG-CG2 4.19Å; V240-I259 CarbonylContact C-O 3.59Å; V240-I259 WeakPolarHBondContact CA-O 3.41Å; V240-I259 HydrophobicContact CG1-CB 4.26Å; V240-I259 HydrophobicContact CG1-CG2 4.24Å; V240-L269 HydrophobicContact CG1-CD1 3.88Å; V240-V292 HydrophobicContact CG2-CG1 4.22Å; V240-H293 PolarHBondContact N-O 3.19Å; V240-R300 HydrophobicContact CB-CB 4.19Å; V240-R300 HydrophobicContact CG1-CB 3.83Å; V240-R300 WeakPolarHBondContact O-CD 3.33Å; V240-R300 PolarHBondContact O-NH1 3.13Å; V240-V304 HydrophobicContact CG1-CG2 4.29Å; V240-V304 HydrophobicContact CG2-CG2 4.1Å | ||
| 241 | T | 93.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -143.6 | 149.7 | 176 | 76.2 | 0 | 0 | 0 | 0 | 111.3 | N239 L244 Q258 I259 C294 | N239-T241 VanDerWaalsContact C-N 3.31Å; N239-T241 PolarHBondContact O-N 2.84Å; N239-T241 WeakPolarHBondContact OD1-CB 3.44Å; N239-T241 PolarHBondContact OD1-N 3.44Å; N239-T241 PolarHBondContact OD1-OG1 2.89Å; T241-L244 HydrophobicContact CG2-CD1 3.73Å; T241-L244 HydrophobicContact CG2-CG 4.08Å; T241-L244 WeakPolarHBondContact OG1-CB 3.27Å; T241-L244 WeakPolarHBondContact OG1-CG 3.2Å; T241-L244 PolarHBondContact OG1-N 2.87Å; T241-Q258 WeakPolarHBondContact O-CG 3.48Å; T241-Q258 PolarHBondContact O-NE2 3.38Å; T241-I259 PolarHBondContact N-O 3.09Å; T241-C294 HydrophobicContact CG2-CB 4.06Å | ||
| 242 | P | 88.9 | Confident | 93.3 | Very high | 58 Ų | 58 | 53 Ų | 53 | 38% | 0.377 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -80.8 | -21.7 | 177.5 | 29.4 | -30.6 | 0 | 0 | 0 | 113.4 | P260 I261 | P242-P260 HydrophobicContact CB-CB 3.99Å; P242-I261 WeakPolarHBondContact CD-O 3.47Å |
| 243 | N | 87.9 | Confident | 92.9 | Very high | 128 Ų | 128 | 54.9 Ų | 54.9 | 68% | 0.684 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -128.2 | -6.6 | -160.8 | 48 | -30.7 | 0 | 0 | 0 | 114.5 | ||
| 244 | L | 88.7 | Confident | 92.9 | Very high | 39 Ų | 39 | 52.3 Ų | 52.3 | 20% | 0.204 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -85.1 | 136.4 | 170.2 | -58.7 | -180 | 0 | 0 | 0 | 110.7 | A220 N239 T241 Q258 L295 | A220-L244 HydrophobicContact CB-CD1 3.59Å; N239-L244 PolarHBondContact ND2-O 2.82Å; T241-L244 HydrophobicContact CG2-CD1 3.73Å; T241-L244 HydrophobicContact CG2-CG 4.08Å; T241-L244 WeakPolarHBondContact OG1-CB 3.27Å; T241-L244 WeakPolarHBondContact OG1-CG 3.2Å; T241-L244 PolarHBondContact OG1-N 2.87Å; L244-Q258 PolarHBondContact O-NE2 2.86Å; L244-L295 HydrophobicContact CD1-CD1 4.21Å; L244-L295 HydrophobicContact CD2-CD1 4.32Å |
| 245 | P | 91.4 | Very high | 92.9 | Very high | 82 Ų | 82 | 56.4 Ų | 56.4 | 53% | 0.532 | 31% | 0.305 | S | S | . | . | trans | -72.9 | 152 | 178 | 31 | -36.1 | 0 | 0 | 0 | 112.2 | M247 | P245-M247 HydrophobicContact CB-SD 4.23Å; P245-M247 HydrophobicContact CG-SD 3.59Å; P245-M247 VanDerWaalsContact CG-SD 3.59Å; P245-M247 PolarHBondContact O-N 2.91Å | ||
| 246 | N | 95.6 | Very high | 92.9 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 11% | 0.112 | 30% | 0.295 | C | S | . | . | trans | -83.6 | 86.8 | 167.2 | -62.8 | -24 | 0 | 0 | 0 | 109.1 | N239 F248 E249 Y256 | N239-N246 PolarHBondContact ND2-OD1 2.89Å; N246-F248 VanDerWaalsContact C-N 3.27Å; N246-F248 PolarHBondContact O-N 3.05Å; N246-F248 VanDerWaalsContact O-N 3.08Å; N246-E249 HydrophobicContact CB-CB 3.83Å; N246-E249 VanDerWaalsContact CB-OE2 3.3Å; N246-E249 WeakPolarHBondContact CB-OE2 3.12Å; N246-E249 PolarHBondContact ND2-OE2 3.39Å; N246-E249 PolarHBondContact O-N 3.04Å; N246-Y256 HydrophobicContact CB-CD1 3.44Å; N246-Y256 VanDerWaalsContact CB-CD1 3.44Å; N246-Y256 HydrophobicContact CB-CD2 4.24Å; N246-Y256 HydrophobicContact CB-CE1 3.63Å; N246-Y256 HydrophobicContact CB-CE2 4.4Å; N246-Y256 HydrophobicContact CB-CG 3.75Å; N246-Y256 WeakPolarHBondContact OD1-CD1 3.49Å | ||
| 247 | M | 92.4 | Very high | 92.9 | Very high | 101 Ų | 101 | 56.5 Ų | 56.5 | 50% | 0.498 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -36.6 | -166.3 | -70.1 | -55.5 | -61.4 | 0 | 0 | 115.9 | T224 P245 | T224-M247 HydrophobicContact CG2-CB 4.49Å; T224-M247 HydrophobicContact CG2-CG 3.5Å; P245-M247 HydrophobicContact CB-SD 4.23Å; P245-M247 HydrophobicContact CG-SD 3.59Å; P245-M247 VanDerWaalsContact CG-SD 3.59Å; P245-M247 PolarHBondContact O-N 2.91Å |
| 248 | F | 93.4 | Very high | 92.9 | Very high | 22 Ų | 22 | 59.9 Ų | 59.9 | 10% | 0.096 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 19.9 | -172.1 | -49 | -60.7 | 0 | 0 | 0 | 112.8 | S223 T224 L226 L229 N246 H250 D251 F254 Y256 | S223-F248 WeakPolarHBondContact O-CE2 3.23Å; T224-F248 WeakPolarHBondContact O-CZ 3.47Å; L226-F248 HydrophobicContact CD1-CD1 4.42Å; L226-F248 HydrophobicContact CD1-CE1 3.83Å; L226-F248 HydrophobicContact CD1-CZ 4.12Å; L226-F248 HydrophobicContact CD2-CD1 3.88Å; L226-F248 HydrophobicContact CD2-CD2 3.81Å; L226-F248 HydrophobicContact CD2-CE1 3.74Å; L226-F248 HydrophobicContact CD2-CE2 3.66Å; L226-F248 HydrophobicContact CD2-CG 3.93Å; L226-F248 HydrophobicContact CD2-CZ 3.64Å; L226-F248 HydrophobicContact CG-CD1 4.32Å; L226-F248 HydrophobicContact CG-CE1 3.68Å; L226-F248 HydrophobicContact CG-CE2 3.95Å; L226-F248 HydrophobicContact CG-CZ 3.48Å; L226-F248 VanDerWaalsContact CG-CZ 3.48Å; L229-F248 HydrophobicContact CD1-CD2 4Å; L229-F248 HydrophobicContact CD1-CE2 3.82Å; N246-F248 VanDerWaalsContact C-N 3.27Å; N246-F248 PolarHBondContact O-N 3.05Å; N246-F248 VanDerWaalsContact O-N 3.08Å; F248-H250 PolarHBondContact O-N 3.48Å; F248-D251 WeakPolarHBondContact CD1-OD2 3.36Å; F248-D251 PolarHBondContact O-N 2.94Å; F248-F254 HydrophobicContact CB-CD2 3.42Å; F248-F254 VanDerWaalsContact CB-CD2 3.42Å; F248-F254 HydrophobicContact CB-CE2 3.76Å; F248-F254 HydrophobicContact CB-CG 4.26Å; F248-F254 HydrophobicContact CD2-CD2 4.45Å; F248-F254 HydrophobicContact CD2-CE2 4.17Å; F248-F254 HydrophobicContact CG-CD2 4.22Å; F248-F254 HydrophobicContact CG-CE2 4.09Å; F248-Y256 HydrophobicContact CB-CE2 4.29Å; F248-Y256 WeakPolarHBondContact CD2-OH 3.29Å; F248-Y256 PolarHBondContact N-OH 2.91Å |
| 249 | E | 90.1 | Very high | 92.9 | Very high | 92 Ų | 92 | 59.9 Ų | 59.9 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -63.1 | -30.4 | -175.2 | -174.6 | 161.7 | -151.8 | 0 | 0 | 112.8 | N246 Y256 | N246-E249 HydrophobicContact CB-CB 3.83Å; N246-E249 VanDerWaalsContact CB-OE2 3.3Å; N246-E249 WeakPolarHBondContact CB-OE2 3.12Å; N246-E249 PolarHBondContact ND2-OE2 3.39Å; N246-E249 PolarHBondContact O-N 3.04Å; E249-Y256 HydrophobicContact CB-CD2 3.83Å; E249-Y256 HydrophobicContact CB-CE2 4.14Å; E249-Y256 HydrophobicContact CB-CG 4.42Å; E249-Y256 HydrophobicContact CG-CD2 4.21Å |
| 250 | H | 87.8 | Confident | 92.8 | Very high | 179 Ų | 179 | 63.4 Ų | 63.4 | 83% | 0.829 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -89.2 | -7 | -178.7 | -60.3 | -53 | 0 | 0 | 0 | 114.4 | F248 G252 | F248-H250 PolarHBondContact O-N 3.48Å; H250-G252 PolarHBondContact O-N 3.3Å |
| 251 | D | 85.3 | Confident | 92.4 | Very high | 98 Ų | 98 | 63.7 Ų | 63.7 | 52% | 0.524 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -79.7 | -9.6 | -176.4 | -62 | -14 | 0 | 0 | 0 | 112.3 | F248 D253 | F248-D251 WeakPolarHBondContact CD1-OD2 3.36Å; F248-D251 PolarHBondContact O-N 2.94Å; D251-D253 PolarHBondContact O-N 3.42Å; D251-D253 VanDerWaalsContact O-N 3.15Å |
| 252 | G | 81.9 | Confident | 92 | Very high | 73 Ų | 73 | 65.6 Ų | 65.6 | 75% | 0.753 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 77.1 | -11 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | H250 | H250-G252 PolarHBondContact O-N 3.3Š|
| 253 | D | 88.8 | Confident | 91.9 | Very high | 97 Ų | 97 | 65.9 Ų | 65.9 | 52% | 0.519 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -86 | -16.5 | -178.5 | -96.5 | -51.1 | 0 | 0 | 0 | 114.6 | K235 D251 | K235-D253 WeakPolarHBondContact CD-O 3.33Å; K235-D253 IonicContact NZ-OD1 2.73Å; K235-D253 PolarHBondContact NZ-OD1 3.34Å; D251-D253 PolarHBondContact O-N 3.42Å; D251-D253 VanDerWaalsContact O-N 3.15Å |
| 254 | F | 96.5 | Very high | 91.6 | Very high | 27 Ų | 27 | 63.4 Ų | 63.4 | 12% | 0.118 | 34% | 0.341 | C | S | . | . | trans | -125.4 | 136.5 | -174 | -62.3 | -83.3 | 0 | 0 | 0 | 111.4 | L226 L229 I234 K235 I237 F248 Y256 | L226-F254 HydrophobicContact CD2-CE2 3.8Å; L226-F254 HydrophobicContact CD2-CZ 3.87Å; L229-F254 HydrophobicContact CB-CE1 4.02Å; L229-F254 HydrophobicContact CB-CZ 4.18Å; L229-F254 HydrophobicContact CD1-CE1 3.95Å; L229-F254 HydrophobicContact CD1-CZ 4.01Å; L229-F254 HydrophobicContact CG-CE1 4.47Å; I234-F254 WeakPolarHBondContact O-CE1 3.27Å; K235-F254 CarbonylContact O-C 3.34Å; K235-F254 WeakPolarHBondContact O-CA 3.32Å; I237-F254 HydrophobicContact CD1-CD1 3.84Å; I237-F254 HydrophobicContact CD1-CE1 4.33Å; I237-F254 HydrophobicContact CD1-CG 4.34Å; I237-F254 HydrophobicContact CG1-CD1 4.44Å; F248-F254 HydrophobicContact CB-CD2 3.42Å; F248-F254 VanDerWaalsContact CB-CD2 3.42Å; F248-F254 HydrophobicContact CB-CE2 3.76Å; F248-F254 HydrophobicContact CB-CG 4.26Å; F248-F254 HydrophobicContact CD2-CD2 4.45Å; F248-F254 HydrophobicContact CD2-CE2 4.17Å; F248-F254 HydrophobicContact CG-CD2 4.22Å; F248-F254 HydrophobicContact CG-CE2 4.09Å; F254-Y256 HydrophobicContact CB-CD2 3.97Å; F254-Y256 HydrophobicContact CB-CE2 3.52Å; F254-Y256 HydrophobicContact CG-CE2 4.32Å | ||
| 255 | K | 97.8 | Very high | 90.6 | Very high | 88 Ų | 88 | 64.5 Ų | 64.5 | 38% | 0.383 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 119.9 | 167.7 | -164.4 | -177.9 | -174.4 | -172.5 | 0 | 109.1 | K235 Y236 I237 F279 E282 | K235-K255 PolarHBondContact O-N 3.24Å; Y236-K255 WeakPolarHBondContact CA-O 2.93Å; Y236-K255 HydrophobicContact CD1-CB 4.19Å; Y236-K255 HydrophobicContact CD1-CD 4.14Å; Y236-K255 HydrophobicContact CE1-CB 4.2Å; Y236-K255 HydrophobicContact CE1-CD 3.47Å; Y236-K255 VanDerWaalsContact CE1-CD 3.47Å; Y236-K255 HydrophobicContact CE1-CG 4.32Å; Y236-K255 HydrophobicContact CG-CB 4.39Å; I237-K255 PolarHBondContact N-O 2.92Å; K255-F279 HydrophobicContact CD-CE2 3.97Å; K255-F279 HydrophobicContact CG-CE2 4.09Å; K255-F279 HydrophobicContact CG-CZ 4.36Å; K255-E282 IonicContact NZ-OE1 2.72Å; K255-E282 PolarHBondContact NZ-OE1 3.49Å; K255-E282 IonicContact NZ-OE2 2.9Å; K255-E282 PolarHBondContact NZ-OE2 3.48Å |
| 256 | Y | 98.3 | Very high | 89.6 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 9% | 0.086 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 151.5 | 176.7 | -77.9 | -97.4 | 0 | 0 | 0 | 112 | I237 N246 F248 E249 F254 | I237-Y256 HydrophobicContact CB-CD1 3.71Å; I237-Y256 HydrophobicContact CB-CE1 3.56Å; I237-Y256 HydrophobicContact CB-CG 4.37Å; I237-Y256 HydrophobicContact CD1-CE1 3.78Å; I237-Y256 HydrophobicContact CD1-CE2 4.18Å; I237-Y256 VanDerWaalsContact CD1-CZ 3.5Å; I237-Y256 VanDerWaalsContact CD1-OH 3.31Å; I237-Y256 WeakPolarHBondContact CD1-OH 3.37Å; I237-Y256 HydrophobicContact CG1-CE1 4.24Å; I237-Y256 HydrophobicContact CG2-CD1 3.84Å; I237-Y256 HydrophobicContact CG2-CE1 3.51Å; I237-Y256 WeakPolarHBondContact O-CA 3.02Å; N246-Y256 HydrophobicContact CB-CD1 3.44Å; N246-Y256 VanDerWaalsContact CB-CD1 3.44Å; N246-Y256 HydrophobicContact CB-CD2 4.24Å; N246-Y256 HydrophobicContact CB-CE1 3.63Å; N246-Y256 HydrophobicContact CB-CE2 4.4Å; N246-Y256 HydrophobicContact CB-CG 3.75Å; N246-Y256 WeakPolarHBondContact OD1-CD1 3.49Å; F248-Y256 HydrophobicContact CB-CE2 4.29Å; F248-Y256 WeakPolarHBondContact CD2-OH 3.29Å; F248-Y256 PolarHBondContact N-OH 2.91Å; E249-Y256 HydrophobicContact CB-CD2 3.83Å; E249-Y256 HydrophobicContact CB-CE2 4.14Å; E249-Y256 HydrophobicContact CB-CG 4.42Å; E249-Y256 HydrophobicContact CG-CD2 4.21Å; F254-Y256 HydrophobicContact CB-CD2 3.97Å; F254-Y256 HydrophobicContact CB-CE2 3.52Å; F254-Y256 HydrophobicContact CG-CE2 4.32Å |
| 257 | K | 98.5 | Very high | 89.1 | Confident | 60 Ų | 60 | 65.2 Ų | 65.2 | 26% | 0.261 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 131.6 | 157.4 | 174.1 | 177.9 | -85.9 | -74.3 | 0 | 107.2 | I237 L238 N239 E275 F279 | I237-K257 PolarHBondContact O-N 2.55Å; L238-K257 WeakPolarHBondContact CA-O 3.5Å; L238-K257 HydrophobicContact CD1-CB 3.9Å; L238-K257 HydrophobicContact CD1-CD 3.97Å; L238-K257 HydrophobicContact CD1-CG 3.8Å; L238-K257 WeakPolarHBondContact CD1-O 3.49Å; N239-K257 PolarHBondContact N-O 2.51Å; K257-E275 IonicContact NZ-OE2 2.93Å; K257-E275 PolarHBondContact NZ-OE2 2.86Å; K257-F279 HydrophobicContact CB-CD1 3.84Å; K257-F279 HydrophobicContact CB-CD2 4.02Å; K257-F279 HydrophobicContact CB-CE1 3.7Å; K257-F279 HydrophobicContact CB-CE2 3.86Å; K257-F279 HydrophobicContact CB-CG 4Å; K257-F279 HydrophobicContact CB-CZ 3.7Å; K257-F279 HydrophobicContact CD-CB 3.9Å; K257-F279 HydrophobicContact CD-CD1 4.32Å; K257-F279 HydrophobicContact CD-CD2 4.27Å; K257-F279 HydrophobicContact CD-CG 3.93Å |
| 258 | Q | 98.4 | Very high | 89 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 33% | 0.327 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.7 | 176.3 | -170 | 173.5 | 15.6 | 0 | 0 | 110.2 | N239 T241 L244 | N239-Q258 HydrophobicContact CB-CG 4.29Å; N239-Q258 CarbonylContact O-C 3.49Å; N239-Q258 WeakPolarHBondContact O-CA 3.48Å; T241-Q258 WeakPolarHBondContact O-CG 3.48Å; T241-Q258 PolarHBondContact O-NE2 3.38Å; L244-Q258 PolarHBondContact O-NE2 2.86Å |
| 259 | I | 98.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -110.3 | 102.2 | 170.1 | -64.9 | 174 | 0 | 0 | 0 | 106.3 | L238 N239 V240 T241 I261 L269 F272 A276 | L238-I259 HydrophobicContact CD1-CD1 3.87Å; L238-I259 HydrophobicContact CD1-CG1 4.12Å; N239-I259 PolarHBondContact O-N 3.46Å; V240-I259 CarbonylContact C-O 3.59Å; V240-I259 WeakPolarHBondContact CA-O 3.41Å; V240-I259 HydrophobicContact CG1-CB 4.26Å; V240-I259 HydrophobicContact CG1-CG2 4.24Å; T241-I259 PolarHBondContact N-O 3.09Å; I259-I261 HydrophobicContact CG2-CB 4.33Å; I259-I261 HydrophobicContact CG2-CG1 3.84Å; I259-I261 PolarHBondContact O-N 3.15Å; I259-L269 HydrophobicContact CG2-CD1 3.96Å; I259-F272 HydrophobicContact CD1-CB 3.95Å; I259-F272 HydrophobicContact CG1-CB 4.38Å; I259-F272 HydrophobicContact CG2-CB 3.89Å; I259-F272 HydrophobicContact CG2-CD1 4.31Å; I259-F272 HydrophobicContact CG2-CD2 3.72Å; I259-F272 HydrophobicContact CG2-CE2 4.3Å; I259-F272 HydrophobicContact CG2-CG 3.71Å; I259-A276 HydrophobicContact CD1-CB 3.78Å | ||
| 260 | P | 96.3 | Very high | 89.4 | Confident | 75 Ų | 75 | 59.9 Ų | 59.9 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | trans | -79.5 | 67.3 | -168.4 | 32.6 | -36.4 | 0 | 0 | 0 | 112.3 | P242 | P242-P260 HydrophobicContact CB-CB 3.99Š| ||
| 261 | I | 91.3 | Very high | 89.8 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | trans | -114.9 | 123.1 | -177.2 | -71.7 | -71.9 | 0 | 0 | 0 | 111.6 | P242 I259 Q267 L269 F272 R300 F337 | P242-I261 WeakPolarHBondContact CD-O 3.47Å; I259-I261 HydrophobicContact CG2-CB 4.33Å; I259-I261 HydrophobicContact CG2-CG1 3.84Å; I259-I261 PolarHBondContact O-N 3.15Å; I261-Q267 HydrophobicContact CD1-CB 4.1Å; I261-Q267 HydrophobicContact CG2-CB 3.86Å; I261-Q267 HydrophobicContact CG2-CG 4.28Å; I261-L269 HydrophobicContact CB-CD1 4.2Å; I261-L269 HydrophobicContact CG1-CD1 4.15Å; I261-L269 HydrophobicContact CG2-CB 4.35Å; I261-L269 HydrophobicContact CG2-CD1 4.15Å; I261-F272 HydrophobicContact CD1-CD2 4.33Å; I261-F272 HydrophobicContact CD1-CE2 3.66Å; I261-F272 HydrophobicContact CG1-CD2 3.95Å; I261-F272 HydrophobicContact CG1-CE2 3.65Å; I261-R300 WeakPolarHBondContact O-CD 3.49Å; I261-R300 PolarHBondContact O-NH1 3.04Å; I261-R300 VanDerWaalsContact O-NH1 3.15Å; I261-F337 HydrophobicContact CG2-CE1 4.38Å; I261-F337 HydrophobicContact CG2-CZ 3.82Å | ||
| 262 | S | 85.1 | Confident | 90.5 | Very high | 40 Ų | 40 | 54.4 Ų | 54.4 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | trans | -73.6 | 157.2 | 171.6 | 60.3 | 0 | 0 | 0 | 0 | 111.2 | H264 Q267 | S262-H264 PolarHBondContact O-N 3.02Å; S262-Q267 WeakPolarHBondContact O-CG 3.3Å; S262-Q267 VanDerWaalsContact OG-CG 3.31Å; S262-Q267 WeakPolarHBondContact OG-CG 3.45Å; S262-Q267 PolarHBondContact OG-NE2 2.95Å | ||
| 263 | D | 86.9 | Confident | 91.3 | Very high | 63 Ų | 63 | 51 Ų | 51 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -81.6 | 64.9 | 179.1 | -141.3 | -33 | 0 | 0 | 0 | 111 | S299 R300 N334 | D263-S299 WeakPolarHBondContact OD1-CB 3.12Å; D263-S299 PolarHBondContact OD1-OG 2.79Å; D263-S299 WeakPolarHBondContact OD2-CB 3.24Å; D263-S299 PolarHBondContact OD2-OG 2.83Å; D263-R300 HydrophobicContact CB-CG 4.28Å; D263-R300 IonicContact OD2-CZ 3.79Å; D263-R300 IonicContact OD2-NE 2.76Å; D263-R300 PolarHBondContact OD2-NE 3.32Å; D263-R300 IonicContact OD2-NH2 3.99Å; D263-N334 PolarHBondContact OD1-ND2 3.29Å |
| 264 | H | 80.7 | Confident | 91.7 | Very high | 77 Ų | 77 | 50.5 Ų | 50.5 | 36% | 0.356 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -136.5 | 147.4 | -168 | -168.8 | -103.6 | 0 | 0 | 0 | 111.4 | S262 S266 Q267 | S262-H264 PolarHBondContact O-N 3.02Å; H264-S266 PolarHBondContact ND1-N 3.08Å; H264-S266 PolarHBondContact ND1-OG 3.08Å; H264-S266 PolarHBondContact O-N 3.03Å; H264-S266 VanDerWaalsContact O-N 3.15Å; H264-Q267 HydrophobicContact CB-CG 4.05Å; H264-Q267 WeakPolarHBondContact O-CB 3.27Å; H264-Q267 PolarHBondContact O-N 3.35Å; H264-Q267 VanDerWaalsContact O-N 3.09Å |
| 265 | W | 67.8 | Low | 91.8 | Very high | 62 Ų | 62 | 52.2 Ų | 52.2 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.1 | -174.6 | 62.7 | -97.7 | 0 | 0 | 0 | 114.1 | L66 V117 Q267 F335 N336 | L66-W265 HydrophobicContact CD1-CD2 3.16Å; L66-W265 VanDerWaalsContact CD1-CE2 3.44Å; L66-W265 HydrophobicContact CD1-CE3 3.4Å; L66-W265 VanDerWaalsContact CD1-CE3 3.4Å; L66-W265 HydrophobicContact CD1-CG 3.63Å; L66-W265 HydrophobicContact CD1-CH2 4.23Å; L66-W265 HydrophobicContact CD1-CZ2 4.04Å; L66-W265 HydrophobicContact CD1-CZ3 3.92Å; V117-W265 HydrophobicContact CB-CZ2 4.38Å; V117-W265 HydrophobicContact CG2-CH2 3.73Å; V117-W265 HydrophobicContact CG2-CZ2 3.1Å; W265-Q267 VanDerWaalsContact C-N 3.28Å; W265-F335 HydrophobicContact CB-CE1 4.2Å; W265-F335 HydrophobicContact CB-CE2 4.02Å; W265-F335 HydrophobicContact CB-CZ 3.33Å; W265-F335 HydrophobicContact CG-CZ 4.26Å; W265-N336 HydrophobicContact CB-CB 4.2Å; W265-N336 PolarHBondContact O-ND2 3.01Å; W265-N336 PolarHBondContact O-OD1 3.32Å |
| 266 | S | 70.7 | Confident | 91.8 | Very high | 63 Ų | 63 | 48 Ų | 48 | 44% | 0.441 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9.6 | 178.9 | 70 | 0 | 0 | 0 | 0 | 112.9 | H264 | H264-S266 PolarHBondContact ND1-N 3.08Å; H264-S266 PolarHBondContact ND1-OG 3.08Å; H264-S266 PolarHBondContact O-N 3.03Å; H264-S266 VanDerWaalsContact O-N 3.15Å |
| 267 | Q | 85.3 | Confident | 91.9 | Very high | 55 Ų | 55 | 47.4 Ų | 47.4 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | trans | -86 | 140.1 | -171.5 | -60.7 | -59.7 | -40.3 | 0 | 0 | 111.3 | I261 S262 H264 W265 N336 F337 Q340 | I261-Q267 HydrophobicContact CD1-CB 4.1Å; I261-Q267 HydrophobicContact CG2-CB 3.86Å; I261-Q267 HydrophobicContact CG2-CG 4.28Å; S262-Q267 WeakPolarHBondContact O-CG 3.3Å; S262-Q267 VanDerWaalsContact OG-CG 3.31Å; S262-Q267 WeakPolarHBondContact OG-CG 3.45Å; S262-Q267 PolarHBondContact OG-NE2 2.95Å; H264-Q267 HydrophobicContact CB-CG 4.05Å; H264-Q267 WeakPolarHBondContact O-CB 3.27Å; H264-Q267 PolarHBondContact O-N 3.35Å; H264-Q267 VanDerWaalsContact O-N 3.09Å; W265-Q267 VanDerWaalsContact C-N 3.28Å; Q267-N336 PolarHBondContact O-ND2 3.37Å; Q267-F337 HydrophobicContact CB-CE1 4.12Å; Q267-F337 HydrophobicContact CB-CZ 4.26Å; Q267-Q340 PolarHBondContact O-NE2 3.29Å | ||
| 268 | N | 89 | Confident | 91.9 | Very high | 68 Ų | 68 | 48.2 Ų | 48.2 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | trans | -101 | 100.2 | 172 | -177.3 | -0.2 | 0 | 0 | 0 | 108.8 | S270 Q271 F272 | N268-S270 PolarHBondContact OD1-N 3.41Å; N268-S270 PolarHBondContact OD1-OG 3.15Å; N268-Q271 WeakPolarHBondContact O-CG 3.09Å; N268-Q271 PolarHBondContact O-NE2 2.76Å; N268-Q271 PolarHBondContact OD1-N 2.93Å; N268-F272 WeakPolarHBondContact O-CE2 3.4Å | ||
| 269 | L | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -88.6 | -29.2 | 177.8 | -176.3 | 54.3 | 0 | 0 | 0 | 111.6 | V240 I259 I261 Q271 F272 F273 T303 V304 F337 | V240-L269 HydrophobicContact CG1-CD1 3.88Å; I259-L269 HydrophobicContact CG2-CD1 3.96Å; I261-L269 HydrophobicContact CB-CD1 4.2Å; I261-L269 HydrophobicContact CG1-CD1 4.15Å; I261-L269 HydrophobicContact CG2-CB 4.35Å; I261-L269 HydrophobicContact CG2-CD1 4.15Å; L269-Q271 VanDerWaalsContact C-N 3.27Å; L269-Q271 PolarHBondContact O-N 3.34Å; L269-F272 HydrophobicContact CD1-CD2 4.47Å; L269-F272 PolarHBondContact O-N 3.18Å; L269-F273 HydrophobicContact CG-CE1 4.03Å; L269-T303 HydrophobicContact CD2-CG2 3.87Å; L269-V304 HydrophobicContact CD1-CG2 4.19Å; L269-V304 HydrophobicContact CD2-CG2 4.23Å; L269-V304 HydrophobicContact CG-CG2 4.38Å; L269-F337 HydrophobicContact CB-CD1 3.8Å; L269-F337 HydrophobicContact CB-CE1 3.59Å; L269-F337 HydrophobicContact CB-CZ 4.18Å; L269-F337 HydrophobicContact CD2-CD1 4.23Å; L269-F337 HydrophobicContact CD2-CD2 4.08Å; L269-F337 HydrophobicContact CD2-CE1 4.19Å; L269-F337 HydrophobicContact CD2-CE2 4.05Å; L269-F337 HydrophobicContact CD2-CG 4.21Å; L269-F337 HydrophobicContact CD2-CZ 4.11Å | ||
| 270 | S | 96.1 | Very high | 91.9 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 24% | 0.238 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -64.4 | -28.6 | -176.9 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | N268 F272 F273 | N268-S270 PolarHBondContact OD1-N 3.41Å; N268-S270 PolarHBondContact OD1-OG 3.15Å; S270-F272 PolarHBondContact O-N 2.93Å; S270-F272 VanDerWaalsContact O-N 3.09Å; S270-F273 VanDerWaalsContact CB-CE2 3.43Å; S270-F273 WeakPolarHBondContact O-CB 3.22Å; S270-F273 WeakPolarHBondContact O-CG 3.36Å; S270-F273 PolarHBondContact O-N 2.97Å |
| 271 | Q | 96.8 | Very high | 92 | Very high | 115 Ų | 115 | 43.8 Ų | 43.8 | 54% | 0.537 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -57.9 | -23.2 | 172.8 | 70.1 | -175.3 | -33.2 | 0 | 0 | 113 | N268 L269 | N268-Q271 WeakPolarHBondContact O-CG 3.09Å; N268-Q271 PolarHBondContact O-NE2 2.76Å; N268-Q271 PolarHBondContact OD1-N 2.93Å; L269-Q271 VanDerWaalsContact C-N 3.27Å; L269-Q271 PolarHBondContact O-N 3.34Å |
| 272 | F | 98.5 | Very high | 92.3 | Very high | 48 Ų | 48 | 46 Ų | 46 | 21% | 0.211 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -97.6 | -2.7 | 179.6 | -55.5 | -73.1 | 0 | 0 | 0 | 113.5 | I259 I261 N268 L269 S270 E275 A276 | I259-F272 HydrophobicContact CD1-CB 3.95Å; I259-F272 HydrophobicContact CG1-CB 4.38Å; I259-F272 HydrophobicContact CG2-CB 3.89Å; I259-F272 HydrophobicContact CG2-CD1 4.31Å; I259-F272 HydrophobicContact CG2-CD2 3.72Å; I259-F272 HydrophobicContact CG2-CE2 4.3Å; I259-F272 HydrophobicContact CG2-CG 3.71Å; I261-F272 HydrophobicContact CD1-CD2 4.33Å; I261-F272 HydrophobicContact CD1-CE2 3.66Å; I261-F272 HydrophobicContact CG1-CD2 3.95Å; I261-F272 HydrophobicContact CG1-CE2 3.65Å; N268-F272 WeakPolarHBondContact O-CE2 3.4Å; L269-F272 HydrophobicContact CD1-CD2 4.47Å; L269-F272 PolarHBondContact O-N 3.18Å; S270-F272 PolarHBondContact O-N 2.93Å; S270-F272 VanDerWaalsContact O-N 3.09Å; F272-E275 HydrophobicContact CB-CG 4.15Å; F272-E275 WeakPolarHBondContact CD1-OE1 3.47Å; F272-E275 WeakPolarHBondContact O-CG 3.46Å; F272-E275 PolarHBondContact O-N 2.88Å; F272-A276 WeakPolarHBondContact O-CB 3.24Å; F272-A276 PolarHBondContact O-N 3.33Å |
| 273 | F | 98.6 | Very high | 93 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.2 | -45.6 | 178.3 | -66.1 | -17.1 | 0 | 0 | 0 | 113 | L269 S270 E275 A276 I277 T303 A307 L341 F344 | L269-F273 HydrophobicContact CG-CE1 4.03Å; S270-F273 VanDerWaalsContact CB-CE2 3.43Å; S270-F273 WeakPolarHBondContact O-CB 3.22Å; S270-F273 WeakPolarHBondContact O-CG 3.36Å; S270-F273 PolarHBondContact O-N 2.97Å; F273-E275 VanDerWaalsContact C-N 3.33Å; F273-E275 PolarHBondContact O-N 2.86Å; F273-A276 PolarHBondContact O-N 2.86Å; F273-I277 HydrophobicContact CB-CD1 4.16Å; F273-I277 VanDerWaalsContact O-CB 3.28Å; F273-I277 WeakPolarHBondContact O-CB 3.2Å; F273-I277 WeakPolarHBondContact O-CD1 3.38Å; F273-I277 WeakPolarHBondContact O-CG1 3.37Å; F273-I277 PolarHBondContact O-N 2.83Å; F273-T303 HydrophobicContact CE1-CG2 4Å; F273-T303 HydrophobicContact CZ-CG2 3.83Å; F273-A307 HydrophobicContact CD1-CB 3.89Å; F273-A307 HydrophobicContact CD2-CB 3.82Å; F273-A307 HydrophobicContact CE1-CB 3.91Å; F273-A307 HydrophobicContact CE2-CB 3.86Å; F273-A307 HydrophobicContact CG-CB 3.84Å; F273-A307 HydrophobicContact CZ-CB 3.91Å; F273-L341 HydrophobicContact CE2-CD2 4.07Å; F273-L341 HydrophobicContact CZ-CD2 3.89Å; F273-L341 HydrophobicContact CZ-CG 4.47Å; F273-F344 HydrophobicContact CB-CE2 4.43Å; F273-F344 HydrophobicContact CB-CZ 4.43Å; F273-F344 HydrophobicContact CD2-CB 4.13Å; F273-F344 AromaticContact CD2-CD1 3.87Å; F273-F344 HydrophobicContact CD2-CD1 3.87Å; F273-F344 AromaticContact CD2-CD2 3.83Å; F273-F344 HydrophobicContact CD2-CD2 3.83Å; F273-F344 HydrophobicContact CD2-CE1 4.18Å; F273-F344 HydrophobicContact CD2-CE2 4.15Å; F273-F344 AromaticContact CD2-CG 3.68Å; F273-F344 HydrophobicContact CD2-CG 3.68Å; F273-F344 HydrophobicContact CD2-CZ 4.31Å; F273-F344 HydrophobicContact CE2-CB 3.94Å; F273-F344 HydrophobicContact CE2-CD1 4.12Å; F273-F344 HydrophobicContact CE2-CD2 4.49Å; F273-F344 AromaticContact CE2-CG 3.95Å; F273-F344 HydrophobicContact CE2-CG 3.95Å |
| 274 | P | 98.1 | Very high | 93.5 | Very high | 86 Ų | 86 | 43.5 Ų | 43.5 | 56% | 0.558 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -58.3 | -42.9 | -179.8 | -25.7 | 36.1 | 0 | 0 | 0 | 113.2 | S278 | P274-S278 WeakPolarHBondContact O-CB 3.2Å; P274-S278 PolarHBondContact O-N 3.18Å |
| 275 | E | 98.2 | Very high | 94.3 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -73.7 | -35.7 | 179.7 | 64.3 | 155.8 | -178.5 | 0 | 0 | 113.2 | K257 F272 F273 F279 | K257-E275 IonicContact NZ-OE2 2.93Å; K257-E275 PolarHBondContact NZ-OE2 2.86Å; F272-E275 HydrophobicContact CB-CG 4.15Å; F272-E275 WeakPolarHBondContact CD1-OE1 3.47Å; F272-E275 WeakPolarHBondContact O-CG 3.46Å; F272-E275 PolarHBondContact O-N 2.88Å; F273-E275 VanDerWaalsContact C-N 3.33Å; F273-E275 PolarHBondContact O-N 2.86Å; E275-F279 WeakPolarHBondContact O-CB 3.44Å; E275-F279 PolarHBondContact O-N 2.86Å |
| 276 | A | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L238 I259 F272 F273 F279 I280 V304 | L238-A276 HydrophobicContact CD2-CB 3.91Å; I259-A276 HydrophobicContact CD1-CB 3.78Å; F272-A276 WeakPolarHBondContact O-CB 3.24Å; F272-A276 PolarHBondContact O-N 3.33Å; F273-A276 PolarHBondContact O-N 2.86Å; A276-F279 PolarHBondContact O-N 3.13Å; A276-I280 VanDerWaalsContact O-CG1 3.27Å; A276-I280 WeakPolarHBondContact O-CG1 3.16Å; A276-I280 PolarHBondContact O-N 2.91Å; A276-V304 HydrophobicContact CB-CG1 3.66Å |
| 277 | I | 98.7 | Very high | 97 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 5% | 0.046 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | -179.1 | -68.1 | 170.5 | 0 | 0 | 0 | 110.5 | F273 F279 I280 D281 Y308 Q311 F344 | F273-I277 HydrophobicContact CB-CD1 4.16Å; F273-I277 VanDerWaalsContact O-CB 3.28Å; F273-I277 WeakPolarHBondContact O-CB 3.2Å; F273-I277 WeakPolarHBondContact O-CD1 3.38Å; F273-I277 WeakPolarHBondContact O-CG1 3.37Å; F273-I277 PolarHBondContact O-N 2.83Å; I277-F279 VanDerWaalsContact C-N 3.33Å; I277-F279 PolarHBondContact O-N 3.1Å; I277-I280 PolarHBondContact O-N 2.81Å; I277-D281 WeakPolarHBondContact O-CB 3.46Å; I277-D281 PolarHBondContact O-N 2.65Å; I277-Y308 HydrophobicContact CB-CD2 4.17Å; I277-Y308 HydrophobicContact CG1-CD2 4.04Å; I277-Y308 HydrophobicContact CG2-CD2 3.87Å; I277-Y308 HydrophobicContact CG2-CE2 4.18Å; I277-Q311 HydrophobicContact CD1-CB 4.09Å; I277-F344 HydrophobicContact CD1-CE1 4.39Å; I277-F344 HydrophobicContact CD1-CZ 4.05Å |
| 278 | S | 98.7 | Very high | 97.6 | Very high | 78 Ų | 78 | 49.3 Ų | 49.3 | 55% | 0.545 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 174 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | P274 D281 E282 | P274-S278 WeakPolarHBondContact O-CB 3.2Å; P274-S278 PolarHBondContact O-N 3.18Å; S278-D281 PolarHBondContact O-N 3.2Å; S278-E282 PolarHBondContact O-N 3.11Å |
| 279 | F | 98.8 | Very high | 98 | Very high | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.8 | -39.2 | 178.9 | -171.3 | -110.8 | 0 | 0 | 0 | 112.8 | Y236 L238 K255 K257 E275 A276 I277 E282 A283 I290 | Y236-F279 HydrophobicContact CD1-CD2 4.23Å; Y236-F279 HydrophobicContact CD1-CE1 4.03Å; Y236-F279 AromaticContact CD1-CE2 3.64Å; Y236-F279 HydrophobicContact CD1-CE2 3.64Å; Y236-F279 AromaticContact CD1-CZ 3.54Å; Y236-F279 HydrophobicContact CD1-CZ 3.54Å; Y236-F279 HydrophobicContact CE1-CD2 4.45Å; Y236-F279 AromaticContact CE1-CE2 3.98Å; Y236-F279 HydrophobicContact CE1-CE2 3.98Å; Y236-F279 HydrophobicContact CE1-CZ 4.31Å; Y236-F279 HydrophobicContact CG-CZ 4.37Å; L238-F279 HydrophobicContact CB-CD1 4.09Å; L238-F279 HydrophobicContact CB-CE1 4.17Å; L238-F279 HydrophobicContact CD1-CD1 4.19Å; K255-F279 HydrophobicContact CD-CE2 3.97Å; K255-F279 HydrophobicContact CG-CE2 4.09Å; K255-F279 HydrophobicContact CG-CZ 4.36Å; K257-F279 HydrophobicContact CB-CD1 3.84Å; K257-F279 HydrophobicContact CB-CD2 4.02Å; K257-F279 HydrophobicContact CB-CE1 3.7Å; K257-F279 HydrophobicContact CB-CE2 3.86Å; K257-F279 HydrophobicContact CB-CG 4Å; K257-F279 HydrophobicContact CB-CZ 3.7Å; K257-F279 HydrophobicContact CD-CB 3.9Å; K257-F279 HydrophobicContact CD-CD1 4.32Å; K257-F279 HydrophobicContact CD-CD2 4.27Å; K257-F279 HydrophobicContact CD-CG 3.93Å; E275-F279 WeakPolarHBondContact O-CB 3.44Å; E275-F279 PolarHBondContact O-N 2.86Å; A276-F279 PolarHBondContact O-N 3.13Å; I277-F279 VanDerWaalsContact C-N 3.33Å; I277-F279 PolarHBondContact O-N 3.1Å; F279-E282 PolarHBondContact O-N 3.04Å; F279-A283 PolarHBondContact O-N 2.97Å; F279-I290 HydrophobicContact CD1-CD1 3.59Å; F279-I290 HydrophobicContact CE1-CD1 3.8Å |
| 280 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 172.7 | -65.9 | 160.7 | 0 | 0 | 0 | 110.7 | L215 L238 A276 I277 E282 A283 R284 I290 V292 V304 Y308 | L215-I280 HydrophobicContact CD1-CG2 3.99Å; L215-I280 HydrophobicContact CD2-CG2 4.48Å; L238-I280 HydrophobicContact CD2-CD1 4.39Å; L238-I280 HydrophobicContact CD2-CG1 4.4Å; A276-I280 VanDerWaalsContact O-CG1 3.27Å; A276-I280 WeakPolarHBondContact O-CG1 3.16Å; A276-I280 PolarHBondContact O-N 2.91Å; I277-I280 PolarHBondContact O-N 2.81Å; I280-E282 VanDerWaalsContact C-N 3.33Å; I280-E282 PolarHBondContact O-N 3.32Å; I280-A283 PolarHBondContact O-N 3.22Å; I280-R284 HydrophobicContact CG2-CG 4.3Å; I280-R284 WeakPolarHBondContact O-CG 3.46Å; I280-R284 PolarHBondContact O-N 3.09Å; I280-I290 HydrophobicContact CB-CD1 4.32Å; I280-I290 HydrophobicContact CG1-CD1 3.84Å; I280-I290 HydrophobicContact CG2-CG2 4.17Å; I280-V292 HydrophobicContact CD1-CG2 4.03Å; I280-V292 HydrophobicContact CG1-CG2 4.09Å; I280-V304 HydrophobicContact CD1-CG1 4.18Å; I280-Y308 HydrophobicContact CB-CD2 3.85Å; I280-Y308 HydrophobicContact CB-CE2 3.77Å; I280-Y308 HydrophobicContact CD1-CD2 3.85Å; I280-Y308 HydrophobicContact CD1-CG 3.93Å; I280-Y308 HydrophobicContact CG1-CD2 4.47Å; I280-Y308 HydrophobicContact CG2-CD1 4.13Å; I280-Y308 HydrophobicContact CG2-CD2 3.68Å; I280-Y308 HydrophobicContact CG2-CE1 3.83Å; I280-Y308 HydrophobicContact CG2-CE2 3.36Å; I280-Y308 HydrophobicContact CG2-CG 4.06Å; I280-Y308 VanDerWaalsContact CG2-CZ 3.44Å |
| 281 | D | 98.4 | Very high | 98.3 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 24% | 0.235 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -37.8 | 178.7 | -91.6 | -9.6 | 0 | 0 | 0 | 112.3 | I277 S278 A283 R284 S285 Y308 K312 | I277-D281 WeakPolarHBondContact O-CB 3.46Å; I277-D281 PolarHBondContact O-N 2.65Å; S278-D281 PolarHBondContact O-N 3.2Å; D281-A283 PolarHBondContact O-N 3.45Å; D281-R284 PolarHBondContact O-N 2.78Å; D281-S285 VanDerWaalsContact O-CB 3.23Å; D281-S285 WeakPolarHBondContact O-CB 3.19Å; D281-S285 PolarHBondContact O-N 3.36Å; D281-S285 PolarHBondContact O-OG 2.9Å; D281-Y308 WeakPolarHBondContact OD1-CE2 3.45Å; D281-Y308 PolarHBondContact OD1-OH 3.35Å; D281-K312 VanDerWaalsContact CG-NZ 3.26Å; D281-K312 WeakPolarHBondContact OD1-CE 3.25Å; D281-K312 IonicContact OD1-NZ 3.84Å; D281-K312 PolarHBondContact OD1-NZ 3.36Å; D281-K312 VanDerWaalsContact OD1-NZ 3.12Å; D281-K312 IonicContact OD2-NZ 3.12Å; D281-K312 PolarHBondContact OD2-NZ 3.02Å |
| 282 | E | 98.5 | Very high | 98.4 | Very high | 51 Ų | 51 | 39 Ų | 39 | 24% | 0.238 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.3 | -51.4 | 174.9 | -168.7 | -163.8 | 148.5 | 0 | 0 | 110.9 | Y236 K255 S278 F279 I280 S285 K286 | Y236-E282 HydrophobicContact CE1-CB 4.31Å; Y236-E282 HydrophobicContact CE1-CG 4.12Å; Y236-E282 PolarHBondContact OH-OE1 3.06Å; K255-E282 IonicContact NZ-OE1 2.72Å; K255-E282 PolarHBondContact NZ-OE1 3.49Å; K255-E282 IonicContact NZ-OE2 2.9Å; K255-E282 PolarHBondContact NZ-OE2 3.48Å; S278-E282 PolarHBondContact O-N 3.11Å; F279-E282 PolarHBondContact O-N 3.04Å; I280-E282 VanDerWaalsContact C-N 3.33Å; I280-E282 PolarHBondContact O-N 3.32Å; E282-S285 PolarHBondContact O-N 2.93Å; E282-S285 PolarHBondContact O-OG 3.42Å; E282-K286 PolarHBondContact O-N 3.38Å; E282-K286 IonicContact OE1-NZ 2.75Å; E282-K286 PolarHBondContact OE1-NZ 3.43Å |
| 283 | A | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | Y236 F279 I280 D281 S285 K286 K287 C288 I290 | Y236-A283 HydrophobicContact CD1-CB 3.65Å; Y236-A283 HydrophobicContact CD2-CB 3.66Å; Y236-A283 HydrophobicContact CE1-CB 4.15Å; Y236-A283 HydrophobicContact CE2-CB 4.21Å; Y236-A283 HydrophobicContact CG-CB 3.39Å; F279-A283 PolarHBondContact O-N 2.97Å; I280-A283 PolarHBondContact O-N 3.22Å; D281-A283 PolarHBondContact O-N 3.45Å; A283-S285 VanDerWaalsContact C-N 3.34Å; A283-S285 PolarHBondContact O-N 3Å; A283-K286 PolarHBondContact O-N 3.08Å; A283-K286 VanDerWaalsContact O-N 3.16Å; A283-K287 PolarHBondContact O-N 3.34Å; A283-C288 CarbonylContact C-O 3.59Å; A283-C288 PolarHBondContact O-N 3.21Å; A283-C288 VanDerWaalsContact O-N 3.09Å; A283-I290 HydrophobicContact CB-CB 3.65Å; A283-I290 HydrophobicContact CB-CD1 4.27Å; A283-I290 HydrophobicContact CB-CG1 4.48Å; A283-I290 HydrophobicContact CB-CG2 3.94Å |
| 284 | R | 97.9 | Very high | 98.3 | Very high | 52 Ų | 52 | 36.7 Ų | 36.7 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.1 | -35.6 | -177 | -66.1 | -175.7 | 74.2 | -144.3 | -4.2 | 112.1 | P213 I280 D281 K286 K287 I290 Y308 | P213-R284 PolarHBondContact O-NE 3.48Å; P213-R284 PolarHBondContact O-NH2 2.91Å; I280-R284 HydrophobicContact CG2-CG 4.3Å; I280-R284 WeakPolarHBondContact O-CG 3.46Å; I280-R284 PolarHBondContact O-N 3.09Å; D281-R284 PolarHBondContact O-N 2.78Å; R284-K286 PolarHBondContact O-N 3.33Å; R284-K287 PolarHBondContact O-N 2.92Å; R284-I290 HydrophobicContact CG-CG2 4.33Å; R284-Y308 WeakPolarHBondContact CD-OH 3.44Å; R284-Y308 PolarHBondContact NH1-OH 3.33Å |
| 285 | S | 97.9 | Very high | 98 | Very high | 92 Ų | 92 | 37.4 Ų | 37.4 | 64% | 0.643 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -62.4 | -31.5 | 176.2 | 73.7 | 0 | 0 | 0 | 0 | 112.6 | D281 E282 A283 K287 | D281-S285 VanDerWaalsContact O-CB 3.23Å; D281-S285 WeakPolarHBondContact O-CB 3.19Å; D281-S285 PolarHBondContact O-N 3.36Å; D281-S285 PolarHBondContact O-OG 2.9Å; E282-S285 PolarHBondContact O-N 2.93Å; E282-S285 PolarHBondContact O-OG 3.42Å; A283-S285 VanDerWaalsContact C-N 3.34Å; A283-S285 PolarHBondContact O-N 3Å; S285-K287 VanDerWaalsContact C-N 3.3Å |
| 286 | K | 97.8 | Very high | 97.7 | Very high | 118 Ų | 118 | 37.1 Ų | 37.1 | 51% | 0.513 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 0.9 | 175.8 | -64.9 | 175.3 | -177.5 | 174.7 | 0 | 113.4 | Y236 E282 A283 R284 C288 | Y236-K286 PolarHBondContact OH-NZ 2.89Å; E282-K286 PolarHBondContact O-N 3.38Å; E282-K286 IonicContact OE1-NZ 2.75Å; E282-K286 PolarHBondContact OE1-NZ 3.43Å; A283-K286 PolarHBondContact O-N 3.08Å; A283-K286 VanDerWaalsContact O-N 3.16Å; R284-K286 PolarHBondContact O-N 3.33Å; K286-C288 PolarHBondContact O-N 3.49Å |
| 287 | K | 97.8 | Very high | 97.4 | Very high | 141 Ų | 141 | 37.1 Ų | 37.1 | 61% | 0.613 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 31 | -172.4 | -55.9 | 178.6 | -178.5 | 176.8 | 0 | 112.6 | Y214 A283 R284 S285 | Y214-K287 WeakPolarHBondContact CD1-O 3.44Å; Y214-K287 HydrophobicContact CE1-CB 3.98Å; Y214-K287 VanDerWaalsContact CE1-O 3.29Å; Y214-K287 WeakPolarHBondContact CE1-O 3.16Å; Y214-K287 HydrophobicContact CE2-CB 4.21Å; Y214-K287 HydrophobicContact CE2-CG 4.26Å; A283-K287 PolarHBondContact O-N 3.34Å; R284-K287 PolarHBondContact O-N 2.92Å; S285-K287 VanDerWaalsContact C-N 3.3Å |
| 288 | C | 97.3 | Very high | 97.2 | Very high | 28 Ų | 28 | 39.2 Ų | 39.2 | 19% | 0.189 | 21% | 0.213 | C | C | . | . | trans | -97.4 | 139.8 | 171.5 | -66.2 | 0 | 0 | 0 | 0 | 109.1 | Y214 K235 Y236 A283 K286 | Y214-C288 WeakPolarHBondContact CB-O 3.22Å; K235-C288 HydrophobicContact CB-CB 4.25Å; Y236-C288 HydrophobicContact CD2-CB 4.15Å; Y236-C288 HydrophobicContact CE2-CB 4.29Å; A283-C288 CarbonylContact C-O 3.59Å; A283-C288 PolarHBondContact O-N 3.21Å; A283-C288 VanDerWaalsContact O-N 3.09Å; K286-C288 PolarHBondContact O-N 3.49Å | ||
| 289 | G | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 137.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y214 N233 I234 K235 Y236 | Y214-G289 CarbonylContact O-C 3.57Å; Y214-G289 WeakPolarHBondContact O-CA 3.48Å; N233-G289 WeakPolarHBondContact O-CA 3.27Å; N233-G289 PolarHBondContact O-N 2.93Å; I234-G289 VanDerWaalsContact CA-O 3.32Å; I234-G289 WeakPolarHBondContact CA-O 3.24Å; K235-G289 PolarHBondContact N-O 3.3Å; Y236-G289 PolarHBondContact N-O 2.88Å |
| 290 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.9 | 166.4 | -178.8 | 165.6 | 0 | 0 | 0 | 110.9 | Y214 L215 Y216 Y236 L238 F279 I280 A283 R284 | Y214-I290 WeakPolarHBondContact O-CG2 3.23Å; Y214-I290 PolarHBondContact O-N 2.94Å; L215-I290 HydrophobicContact CD1-CG2 3.88Å; Y216-I290 PolarHBondContact N-O 3.34Å; Y236-I290 VanDerWaalsContact O-CA 3.28Å; Y236-I290 WeakPolarHBondContact O-CA 3.44Å; L238-I290 HydrophobicContact CB-CD1 4.34Å; F279-I290 HydrophobicContact CD1-CD1 3.59Å; F279-I290 HydrophobicContact CE1-CD1 3.8Å; I280-I290 HydrophobicContact CB-CD1 4.32Å; I280-I290 HydrophobicContact CG1-CD1 3.84Å; I280-I290 HydrophobicContact CG2-CG2 4.17Å; A283-I290 HydrophobicContact CB-CB 3.65Å; A283-I290 HydrophobicContact CB-CD1 4.27Å; A283-I290 HydrophobicContact CB-CG1 4.48Å; A283-I290 HydrophobicContact CB-CG2 3.94Å; R284-I290 HydrophobicContact CG-CG2 4.33Å |
| 291 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 119.3 | 169 | 177.6 | 63.2 | 0 | 0 | 0 | 109.9 | P208 Y216 D222 L229 I234 Y236 I237 L238 H293 | P208-L291 HydrophobicContact CB-CD1 3.71Å; P208-L291 HydrophobicContact CG-CD1 4.23Å; Y216-L291 WeakPolarHBondContact O-CA 3.28Å; D222-L291 HydrophobicContact CB-CD2 4.24Å; L229-L291 HydrophobicContact CD2-CD2 3.99Å; I234-L291 HydrophobicContact CD1-CB 4.31Å; I234-L291 HydrophobicContact CG2-CB 3.92Å; Y236-L291 PolarHBondContact O-N 3.32Å; I237-L291 WeakPolarHBondContact CA-O 3.11Å; I237-L291 HydrophobicContact CG1-CB 4.47Å; L238-L291 PolarHBondContact N-O 3.26Å; L291-H293 HydrophobicContact CD2-CB 4.45Å; L291-H293 HydrophobicContact CG-CB 4.23Å |
| 292 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 116.7 | 166.8 | -173.6 | 0 | 0 | 0 | 0 | 107.8 | L215 Y216 G218 L238 V240 I280 V304 | L215-V292 HydrophobicContact CD1-CG2 3.83Å; Y216-V292 PolarHBondContact O-N 2.79Å; G218-V292 PolarHBondContact N-O 3.29Å; G218-V292 VanDerWaalsContact N-O 3.08Å; L238-V292 HydrophobicContact CB-CG1 4.46Å; L238-V292 HydrophobicContact CB-CG2 4.26Å; L238-V292 HydrophobicContact CD2-CG1 4.08Å; L238-V292 HydrophobicContact CD2-CG2 4.18Å; L238-V292 HydrophobicContact CG-CG1 4.39Å; V240-V292 HydrophobicContact CG2-CG1 4.22Å; I280-V292 HydrophobicContact CD1-CG2 4.03Å; I280-V292 HydrophobicContact CG1-CG2 4.09Å; V292-V304 HydrophobicContact CG1-CB 4.26Å; V292-V304 HydrophobicContact CG1-CG1 4.11Å |
| 293 | H | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 159.1 | -177.6 | 82.6 | 98 | 0 | 0 | 0 | 113.1 | G218 S223 L238 N239 V240 L291 S301 | G218-H293 WeakPolarHBondContact O-CA 3.43Å; S223-H293 PolarHBondContact OG-CE1 3.39Å; L238-H293 PolarHBondContact O-CD2 2.82Å; L238-H293 PolarHBondContact O-N 3.49Å; N239-H293 WeakPolarHBondContact CA-NE2 3.47Å; N239-H293 WeakPolarHBondContact CB-NE2 3.31Å; V240-H293 PolarHBondContact N-O 3.19Å; L291-H293 HydrophobicContact CD2-CB 4.45Å; L291-H293 HydrophobicContact CG-CB 4.23Å; H293-S301 VanDerWaalsContact C-CB 3.49Å |
| 294 | C | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -133.6 | -153.7 | 164 | 64.4 | 0 | 0 | 0 | 0 | 107.9 | C219 A220 T241 G297 R300 S301 | C219-C294 CarbonylContact C-O 3.58Å; A220-C294 PolarHBondContact N-O 2.68Å; T241-C294 HydrophobicContact CG2-CB 4.06Å; C294-G297 PolarHBondContact SG-N 3.08Å; C294-R300 HydrophobicContact CB-CB 3.81Å; C294-S301 PolarHBondContact SG-OG 2.92Å | ||
| 295 | L | 92.5 | Very high | 97.1 | Very high | 101 Ų | 101 | 29.3 Ų | 29.3 | 53% | 0.529 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -66.3 | -64.1 | 177.2 | -177.4 | 61.4 | 0 | 0 | 0 | 112 | C219 A220 L244 | C219-L295 WeakPolarHBondContact CB-O 3.38Å; A220-L295 HydrophobicContact CB-CD1 4.15Å; A220-L295 PolarHBondContact N-O 2.98Å; L244-L295 HydrophobicContact CD1-CD1 4.21Å; L244-L295 HydrophobicContact CD2-CD1 4.32Å |
| 296 | A | 90.3 | Very high | 97.2 | Very high | 56 Ų | 56 | 25 Ų | 25 | 46% | 0.463 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -95.8 | -12.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I298 | A296-I298 VanDerWaalsContact C-N 3.32Å; A296-I298 HydrophobicContact CB-CB 4.4Å; A296-I298 HydrophobicContact CB-CD1 3.94Å; A296-I298 HydrophobicContact CB-CG1 4.1Å |
| 297 | G | 94.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 71.2 | 24.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G218 C294 S301 K328 | G218-G297 WeakPolarHBondContact O-CA 3.49Å; C294-G297 PolarHBondContact SG-N 3.08Å; G297-S301 WeakPolarHBondContact CA-OG 3.32Å; G297-K328 WeakPolarHBondContact O-CE 3.23Å |
| 298 | I | 93.4 | Very high | 97.3 | Very high | 54 Ų | 54 | 12.6 Ų | 12.6 | 28% | 0.277 | 8% | 0.075 | S | C | . | . | S | Bend | trans | -110.1 | -38.8 | -171.2 | -68.6 | 173.5 | 0 | 0 | 0 | 113 | A296 V302 S332 | A296-I298 VanDerWaalsContact C-N 3.32Å; A296-I298 HydrophobicContact CB-CB 4.4Å; A296-I298 HydrophobicContact CB-CD1 3.94Å; A296-I298 HydrophobicContact CB-CG1 4.1Å; I298-V302 WeakPolarHBondContact O-CG2 3.27Å; I298-S332 CarbonylContact O-C 3.56Å; I298-S332 PolarHBondContact O-N 3.41Å |
| 299 | S | 96.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 11.3 Ų | 11.3 | 5% | 0.049 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -118.5 | -79.2 | -171.8 | 166.5 | 0 | 0 | 0 | 0 | 112.9 | D263 S301 V302 T303 S332 N334 | D263-S299 WeakPolarHBondContact OD1-CB 3.12Å; D263-S299 PolarHBondContact OD1-OG 2.79Å; D263-S299 WeakPolarHBondContact OD2-CB 3.24Å; D263-S299 PolarHBondContact OD2-OG 2.83Å; S299-S301 PolarHBondContact O-N 3.39Å; S299-V302 WeakPolarHBondContact O-CA 3.47Å; S299-V302 WeakPolarHBondContact O-CB 3.45Å; S299-V302 PolarHBondContact O-N 2.66Å; S299-V302 VanDerWaalsContact O-N 3.09Å; S299-T303 PolarHBondContact O-N 3Å; S299-T303 PolarHBondContact O-OG1 2.94Å; S299-T303 VanDerWaalsContact O-OG1 3.04Å; S299-S332 WeakPolarHBondContact CB-O 3.4Å; S299-N334 PolarHBondContact OG-N 3.23Å |
| 300 | R | 98.6 | Very high | 97.4 | Very high | 17 Ų | 17 | 11.3 Ų | 11.3 | 6% | 0.064 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -52.5 | -53.4 | -175.1 | -71.8 | 165.2 | -74.7 | 175.4 | -4.1 | 115.4 | V240 I261 D263 C294 V302 T303 V304 F337 | V240-R300 HydrophobicContact CB-CB 4.19Å; V240-R300 HydrophobicContact CG1-CB 3.83Å; V240-R300 WeakPolarHBondContact O-CD 3.33Å; V240-R300 PolarHBondContact O-NH1 3.13Å; I261-R300 WeakPolarHBondContact O-CD 3.49Å; I261-R300 PolarHBondContact O-NH1 3.04Å; I261-R300 VanDerWaalsContact O-NH1 3.15Å; D263-R300 HydrophobicContact CB-CG 4.28Å; D263-R300 IonicContact OD2-CZ 3.79Å; D263-R300 IonicContact OD2-NE 2.76Å; D263-R300 PolarHBondContact OD2-NE 3.32Å; D263-R300 IonicContact OD2-NH2 3.99Å; C294-R300 HydrophobicContact CB-CB 3.81Å; R300-V302 VanDerWaalsContact C-N 3.28Å; R300-V302 PolarHBondContact O-N 3.43Å; R300-T303 WeakPolarHBondContact O-CB 3.42Å; R300-T303 PolarHBondContact O-N 3.33Å; R300-V304 PolarHBondContact O-N 3.17Å; R300-V304 VanDerWaalsContact O-N 3.14Å; R300-F337 HydrophobicContact CB-CE2 4.47Å; R300-F337 HydrophobicContact CG-CD2 4.39Å; R300-F337 HydrophobicContact CG-CE2 3.48Å; R300-F337 VanDerWaalsContact CG-CE2 3.48Å; R300-F337 HydrophobicContact CG-CZ 4.13Å |
| 301 | S | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.2 | -31.8 | -179.9 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | L217 H293 C294 G297 S299 T305 | L217-S301 WeakPolarHBondContact CD1-OG 3.32Å; H293-S301 VanDerWaalsContact C-CB 3.49Å; C294-S301 PolarHBondContact SG-OG 2.92Å; G297-S301 WeakPolarHBondContact CA-OG 3.32Å; S299-S301 PolarHBondContact O-N 3.39Å; S301-T305 WeakPolarHBondContact O-CB 3.45Å; S301-T305 PolarHBondContact O-N 3.17Å; S301-T305 PolarHBondContact O-OG1 2.89Å |
| 302 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.6 | -48 | 172.1 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | L217 I298 S299 R300 V304 T305 V306 V324 I331 P333 | L217-V302 HydrophobicContact CD1-CG2 4.28Å; L217-V302 HydrophobicContact CD2-CG2 3.86Å; I298-V302 WeakPolarHBondContact O-CG2 3.27Å; S299-V302 WeakPolarHBondContact O-CA 3.47Å; S299-V302 WeakPolarHBondContact O-CB 3.45Å; S299-V302 PolarHBondContact O-N 2.66Å; S299-V302 VanDerWaalsContact O-N 3.09Å; R300-V302 VanDerWaalsContact C-N 3.28Å; R300-V302 PolarHBondContact O-N 3.43Å; V302-V304 VanDerWaalsContact C-N 3.33Å; V302-V304 PolarHBondContact O-N 3.23Å; V302-T305 CarbonylContact O-C 3.54Å; V302-T305 WeakPolarHBondContact O-CA 3.48Å; V302-T305 WeakPolarHBondContact O-CB 3.22Å; V302-T305 PolarHBondContact O-N 2.81Å; V302-V306 HydrophobicContact CG1-CG2 4.08Å; V302-V306 WeakPolarHBondContact O-CG2 3.21Å; V302-V306 PolarHBondContact O-N 3.45Å; V302-V324 HydrophobicContact CG1-CG1 4.39Å; V302-I331 HydrophobicContact CB-CG2 4.41Å; V302-I331 HydrophobicContact CG1-CB 3.92Å; V302-I331 HydrophobicContact CG1-CD1 4.02Å; V302-I331 HydrophobicContact CG1-CG2 4.02Å; V302-I331 HydrophobicContact CG2-CB 3.93Å; V302-I331 HydrophobicContact CG2-CG2 3.46Å; V302-I331 VanDerWaalsContact CG2-CG2 3.46Å; V302-P333 HydrophobicContact CB-CG 4.24Å; V302-P333 HydrophobicContact CG1-CG 3.68Å |
| 303 | T | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54.8 | -49.1 | 178.9 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | L269 F273 S299 R300 T305 V306 A307 F337 L341 | L269-T303 HydrophobicContact CD2-CG2 3.87Å; F273-T303 HydrophobicContact CE1-CG2 4Å; F273-T303 HydrophobicContact CZ-CG2 3.83Å; S299-T303 PolarHBondContact O-N 3Å; S299-T303 PolarHBondContact O-OG1 2.94Å; S299-T303 VanDerWaalsContact O-OG1 3.04Å; R300-T303 WeakPolarHBondContact O-CB 3.42Å; R300-T303 PolarHBondContact O-N 3.33Å; T303-T305 VanDerWaalsContact C-N 3.3Å; T303-T305 PolarHBondContact O-N 3.13Å; T303-V306 PolarHBondContact O-N 2.88Å; T303-A307 WeakPolarHBondContact O-CB 3.42Å; T303-A307 PolarHBondContact O-N 3.35Å; T303-F337 HydrophobicContact CG2-CB 3.75Å; T303-F337 HydrophobicContact CG2-CG 4.28Å; T303-F337 WeakPolarHBondContact OG1-CB 3.4Å; T303-L341 HydrophobicContact CG2-CD1 3.9Å; T303-L341 HydrophobicContact CG2-CD2 4.09Å; T303-L341 HydrophobicContact CG2-CG 3.88Å |
| 304 | V | 98.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.4 | -40.9 | 177.4 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | L238 V240 L269 A276 I280 V292 R300 V302 A307 Y308 | L238-V304 HydrophobicContact CD2-CG1 3.88Å; V240-V304 HydrophobicContact CG1-CG2 4.29Å; V240-V304 HydrophobicContact CG2-CG2 4.1Å; L269-V304 HydrophobicContact CD1-CG2 4.19Å; L269-V304 HydrophobicContact CD2-CG2 4.23Å; L269-V304 HydrophobicContact CG-CG2 4.38Å; A276-V304 HydrophobicContact CB-CG1 3.66Å; I280-V304 HydrophobicContact CD1-CG1 4.18Å; V292-V304 HydrophobicContact CG1-CB 4.26Å; V292-V304 HydrophobicContact CG1-CG1 4.11Å; R300-V304 PolarHBondContact O-N 3.17Å; R300-V304 VanDerWaalsContact O-N 3.14Å; V302-V304 VanDerWaalsContact C-N 3.33Å; V302-V304 PolarHBondContact O-N 3.23Å; V304-A307 PolarHBondContact O-N 3.12Å; V304-Y308 WeakPolarHBondContact O-CB 3.31Å; V304-Y308 PolarHBondContact O-N 3.48Å |
| 305 | T | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.8 | -43.5 | 178.4 | -59 | 0 | 0 | 0 | 0 | 111.7 | I211 S301 V302 T303 Y308 L309 V324 | I211-T305 HydrophobicContact CB-CG2 4.35Å; I211-T305 HydrophobicContact CG1-CG2 4.04Å; I211-T305 HydrophobicContact CG2-CG2 3.88Å; S301-T305 WeakPolarHBondContact O-CB 3.45Å; S301-T305 PolarHBondContact O-N 3.17Å; S301-T305 PolarHBondContact O-OG1 2.89Å; V302-T305 CarbonylContact O-C 3.54Å; V302-T305 WeakPolarHBondContact O-CA 3.48Å; V302-T305 WeakPolarHBondContact O-CB 3.22Å; V302-T305 PolarHBondContact O-N 2.81Å; T303-T305 VanDerWaalsContact C-N 3.3Å; T303-T305 PolarHBondContact O-N 3.13Å; T305-Y308 WeakPolarHBondContact O-CB 3.34Å; T305-Y308 PolarHBondContact O-N 3.1Å; T305-L309 WeakPolarHBondContact O-CG 3.06Å; T305-L309 PolarHBondContact O-N 2.87Å; T305-V324 HydrophobicContact CG2-CG2 4.1Å |
| 306 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64 | -46.9 | 177.1 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | V302 T303 Y308 L309 M310 L317 A320 V324 L341 | V302-V306 HydrophobicContact CG1-CG2 4.08Å; V302-V306 WeakPolarHBondContact O-CG2 3.21Å; V302-V306 PolarHBondContact O-N 3.45Å; T303-V306 PolarHBondContact O-N 2.88Å; V306-Y308 VanDerWaalsContact C-N 3.26Å; V306-Y308 PolarHBondContact O-N 3Å; V306-L309 PolarHBondContact O-N 2.85Å; V306-L309 VanDerWaalsContact O-N 3.09Å; V306-M310 HydrophobicContact CG1-CG 4.39Å; V306-M310 HydrophobicContact CG1-SD 3.92Å; V306-M310 VanDerWaalsContact O-CG 3.3Å; V306-M310 WeakPolarHBondContact O-CG 3.29Å; V306-M310 PolarHBondContact O-N 3.06Å; V306-L317 HydrophobicContact CG1-CD1 3.69Å; V306-A320 HydrophobicContact CG1-CB 3.9Å; V306-V324 HydrophobicContact CG2-CB 4.5Å; V306-V324 HydrophobicContact CG2-CG2 3.99Å; V306-L341 HydrophobicContact CB-CD1 4.2Å; V306-L341 HydrophobicContact CB-CD2 4.43Å; V306-L341 HydrophobicContact CG1-CD1 3.93Å; V306-L341 HydrophobicContact CG1-CD2 4.18Å |
| 307 | A | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.2 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F273 T303 V304 M310 Q311 L341 F344 | F273-A307 HydrophobicContact CD1-CB 3.89Å; F273-A307 HydrophobicContact CD2-CB 3.82Å; F273-A307 HydrophobicContact CE1-CB 3.91Å; F273-A307 HydrophobicContact CE2-CB 3.86Å; F273-A307 HydrophobicContact CG-CB 3.84Å; F273-A307 HydrophobicContact CZ-CB 3.91Å; T303-A307 WeakPolarHBondContact O-CB 3.42Å; T303-A307 PolarHBondContact O-N 3.35Å; V304-A307 PolarHBondContact O-N 3.12Å; A307-M310 PolarHBondContact O-N 3.16Å; A307-Q311 PolarHBondContact O-N 2.75Å; A307-Q311 VanDerWaalsContact O-N 3.08Å; A307-L341 HydrophobicContact CB-CD2 3.75Å; A307-F344 HydrophobicContact CB-CD1 4.1Å; A307-F344 HydrophobicContact CB-CE1 3.94Å |
| 308 | Y | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 175.2 | 178.3 | -97.9 | 0 | 0 | 0 | 112.5 | L212 L215 I277 I280 D281 R284 V304 T305 V306 Q311 K312 | L212-Y308 HydrophobicContact CD1-CE1 4.22Å; L215-Y308 HydrophobicContact CD2-CD1 3.67Å; L215-Y308 HydrophobicContact CD2-CE1 3.84Å; I277-Y308 HydrophobicContact CB-CD2 4.17Å; I277-Y308 HydrophobicContact CG1-CD2 4.04Å; I277-Y308 HydrophobicContact CG2-CD2 3.87Å; I277-Y308 HydrophobicContact CG2-CE2 4.18Å; I280-Y308 HydrophobicContact CB-CD2 3.85Å; I280-Y308 HydrophobicContact CB-CE2 3.77Å; I280-Y308 HydrophobicContact CD1-CD2 3.85Å; I280-Y308 HydrophobicContact CD1-CG 3.93Å; I280-Y308 HydrophobicContact CG1-CD2 4.47Å; I280-Y308 HydrophobicContact CG2-CD1 4.13Å; I280-Y308 HydrophobicContact CG2-CD2 3.68Å; I280-Y308 HydrophobicContact CG2-CE1 3.83Å; I280-Y308 HydrophobicContact CG2-CE2 3.36Å; I280-Y308 HydrophobicContact CG2-CG 4.06Å; I280-Y308 VanDerWaalsContact CG2-CZ 3.44Å; D281-Y308 WeakPolarHBondContact OD1-CE2 3.45Å; D281-Y308 PolarHBondContact OD1-OH 3.35Å; R284-Y308 WeakPolarHBondContact CD-OH 3.44Å; R284-Y308 PolarHBondContact NH1-OH 3.33Å; V304-Y308 WeakPolarHBondContact O-CB 3.31Å; V304-Y308 PolarHBondContact O-N 3.48Å; T305-Y308 WeakPolarHBondContact O-CB 3.34Å; T305-Y308 PolarHBondContact O-N 3.1Å; V306-Y308 VanDerWaalsContact C-N 3.26Å; V306-Y308 PolarHBondContact O-N 3Å; Y308-Q311 PolarHBondContact O-N 2.69Å; Y308-K312 HydrophobicContact CD1-CB 4.46Å; Y308-K312 HydrophobicContact CE1-CB 4.06Å; Y308-K312 HydrophobicContact CE1-CG 4.17Å; Y308-K312 HydrophobicContact CE2-CB 4.2Å; Y308-K312 HydrophobicContact CE2-CG 4.35Å; Y308-K312 WeakPolarHBondContact O-CB 3.42Å; Y308-K312 PolarHBondContact O-N 2.79Å |
| 309 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 178.7 | -66.5 | 176.3 | 0 | 0 | 0 | 111.9 | I211 L212 T305 V306 Q311 K312 L313 L315 A320 F323 V324 | I211-L309 HydrophobicContact CG2-CD1 4.03Å; I211-L309 HydrophobicContact CG2-CD2 4.27Å; L212-L309 HydrophobicContact CD1-CD2 3.54Å; L212-L309 HydrophobicContact CG-CD2 4Å; T305-L309 WeakPolarHBondContact O-CG 3.06Å; T305-L309 PolarHBondContact O-N 2.87Å; V306-L309 PolarHBondContact O-N 2.85Å; V306-L309 VanDerWaalsContact O-N 3.09Å; L309-Q311 PolarHBondContact O-N 2.89Å; L309-K312 PolarHBondContact O-N 3.07Å; L309-L313 HydrophobicContact CD2-CD1 3.86Å; L309-L313 WeakPolarHBondContact O-CB 3.42Å; L309-L313 PolarHBondContact O-N 2.85Å; L309-L315 HydrophobicContact CB-CD1 4.47Å; L309-A320 HydrophobicContact CB-CB 3.98Å; L309-F323 HydrophobicContact CD1-CD1 3.64Å; L309-F323 HydrophobicContact CD1-CE1 4.27Å; L309-F323 HydrophobicContact CD1-CG 4.36Å; L309-V324 HydrophobicContact CD1-CG2 3.53Å |
| 310 | M | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.3 | -50.5 | 176.6 | -65.9 | 163.5 | 64.5 | 0 | 0 | 111.2 | V306 A307 N314 L315 L317 A320 L341 F344 E345 L348 L350 | V306-M310 HydrophobicContact CG1-CG 4.39Å; V306-M310 HydrophobicContact CG1-SD 3.92Å; V306-M310 VanDerWaalsContact O-CG 3.3Å; V306-M310 WeakPolarHBondContact O-CG 3.29Å; V306-M310 PolarHBondContact O-N 3.06Å; A307-M310 PolarHBondContact O-N 3.16Å; M310-N314 WeakPolarHBondContact O-CA 3.42Å; M310-N314 PolarHBondContact O-N 2.94Å; M310-N314 VanDerWaalsContact O-N 3.08Å; M310-L315 VanDerWaalsContact CA-O 3.31Å; M310-L315 WeakPolarHBondContact CA-O 3.28Å; M310-L315 WeakPolarHBondContact CB-O 3.23Å; M310-L315 WeakPolarHBondContact CG-O 3.26Å; M310-L315 PolarHBondContact O-N 3.16Å; M310-L317 HydrophobicContact CE-CB 4.16Å; M310-L317 HydrophobicContact SD-CB 4.31Å; M310-L317 HydrophobicContact SD-CD1 3.99Å; M310-A320 HydrophobicContact CG-CB 3.59Å; M310-L341 HydrophobicContact SD-CD2 4Å; M310-F344 HydrophobicContact CE-CD1 4.06Å; M310-F344 HydrophobicContact SD-CD1 4.42Å; M310-E345 HydrophobicContact CE-CB 3.46Å; M310-E345 VanDerWaalsContact CE-CB 3.46Å; M310-E345 HydrophobicContact CE-CG 4.01Å; M310-L348 HydrophobicContact CB-CD1 3.98Å; M310-L350 HydrophobicContact CB-CD1 4.38Å |
| 311 | Q | 97.8 | Very high | 96.5 | Very high | 81 Ų | 81 | 30 Ų | 30 | 38% | 0.379 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -72 | -41.4 | -178.7 | -174.6 | 167.8 | 4.4 | 0 | 0 | 112.7 | I277 A307 Y308 L309 F344 L348 | I277-Q311 HydrophobicContact CD1-CB 4.09Å; A307-Q311 PolarHBondContact O-N 2.75Å; A307-Q311 VanDerWaalsContact O-N 3.08Å; Y308-Q311 PolarHBondContact O-N 2.69Å; L309-Q311 PolarHBondContact O-N 2.89Å; Q311-F344 HydrophobicContact CB-CE1 4.35Å; Q311-F344 HydrophobicContact CB-CZ 4.23Å; Q311-L348 HydrophobicContact CB-CD1 4.15Å; Q311-L348 HydrophobicContact CB-CD2 4.37Å; Q311-L348 HydrophobicContact CG-CD2 4.17Å |
| 312 | K | 97.3 | Very high | 96.2 | Very high | 93 Ų | 93 | 33.9 Ų | 33.9 | 40% | 0.404 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -81.2 | -33.2 | -171.2 | -168.1 | 62.7 | 171 | -168.6 | 0 | 113.5 | D281 Y308 L309 | D281-K312 VanDerWaalsContact CG-NZ 3.26Å; D281-K312 WeakPolarHBondContact OD1-CE 3.25Å; D281-K312 IonicContact OD1-NZ 3.84Å; D281-K312 PolarHBondContact OD1-NZ 3.36Å; D281-K312 VanDerWaalsContact OD1-NZ 3.12Å; D281-K312 IonicContact OD2-NZ 3.12Å; D281-K312 PolarHBondContact OD2-NZ 3.02Å; Y308-K312 HydrophobicContact CD1-CB 4.46Å; Y308-K312 HydrophobicContact CE1-CB 4.06Å; Y308-K312 HydrophobicContact CE1-CG 4.17Å; Y308-K312 HydrophobicContact CE2-CB 4.2Å; Y308-K312 HydrophobicContact CE2-CG 4.35Å; Y308-K312 WeakPolarHBondContact O-CB 3.42Å; Y308-K312 PolarHBondContact O-N 2.79Å; L309-K312 PolarHBondContact O-N 3.07Å |
| 313 | L | 95.6 | Very high | 96.1 | Very high | 74 Ų | 74 | 36.7 Ų | 36.7 | 39% | 0.387 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -111.6 | 5.2 | -175.9 | -56.6 | -176.4 | 0 | 0 | 0 | 112.5 | L212 L309 L315 | L212-L313 HydrophobicContact CD1-CD1 4.21Å; L212-L313 HydrophobicContact CD2-CD1 4.37Å; L309-L313 HydrophobicContact CD2-CD1 3.86Å; L309-L313 WeakPolarHBondContact O-CB 3.42Å; L309-L313 PolarHBondContact O-N 2.85Å; L313-L315 HydrophobicContact CB-CD1 4.04Å; L313-L315 HydrophobicContact CB-CG 3.82Å; L313-L315 HydrophobicContact CD1-CD1 4.1Å; L313-L315 PolarHBondContact O-N 2.93Å |
| 314 | N | 95.5 | Very high | 96 | Very high | 122 Ų | 122 | 36.7 Ų | 36.7 | 65% | 0.652 | 18% | 0.183 | S | C | * | . | trans | 53.6 | 37.5 | -177.1 | -62.3 | 96.9 | 0 | 0 | 0 | 112.6 | M310 L350 | M310-N314 WeakPolarHBondContact O-CA 3.42Å; M310-N314 PolarHBondContact O-N 2.94Å; M310-N314 VanDerWaalsContact O-N 3.08Å; N314-L350 HydrophobicContact CB-CD2 4.26Å | ||
| 315 | L | 93.8 | Very high | 95.7 | Very high | 42 Ų | 42 | 40.2 Ų | 40.2 | 22% | 0.22 | 20% | 0.199 | C | C | . | . | trans | -88.2 | 140.6 | 179.2 | -67.2 | 178.8 | 0 | 0 | 0 | 110.9 | L309 M310 L313 D319 A320 L350 | L309-L315 HydrophobicContact CB-CD1 4.47Å; M310-L315 VanDerWaalsContact CA-O 3.31Å; M310-L315 WeakPolarHBondContact CA-O 3.28Å; M310-L315 WeakPolarHBondContact CB-O 3.23Å; M310-L315 WeakPolarHBondContact CG-O 3.26Å; M310-L315 PolarHBondContact O-N 3.16Å; L313-L315 HydrophobicContact CB-CD1 4.04Å; L313-L315 HydrophobicContact CB-CG 3.82Å; L313-L315 HydrophobicContact CD1-CD1 4.1Å; L313-L315 PolarHBondContact O-N 2.93Å; L315-D319 HydrophobicContact CB-CB 4.21Å; L315-D319 HydrophobicContact CD2-CB 4.2Å; L315-A320 HydrophobicContact CB-CB 4.04Å; L315-A320 HydrophobicContact CD1-CB 4.48Å; L315-L350 VanDerWaalsContact O-CD1 3.23Å; L315-L350 WeakPolarHBondContact O-CD1 3.38Å | ||
| 316 | S | 93.2 | Very high | 95.5 | Very high | 7 Ų | 7 | 48 Ų | 48 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | trans | -57.3 | 161 | 166.6 | 72.9 | 0 | 0 | 0 | 0 | 110.6 | N318 D319 A320 E345 | S316-N318 PolarHBondContact O-N 3.12Å; S316-D319 PolarHBondContact O-N 3.49Å; S316-D319 WeakPolarHBondContact OG-CB 3.38Å; S316-D319 PolarHBondContact OG-N 3.48Å; S316-D319 VanDerWaalsContact OG-N 3.09Å; S316-D319 PolarHBondContact OG-OD2 2.91Å; S316-A320 VanDerWaalsContact O-CB 3.27Å; S316-A320 WeakPolarHBondContact O-CB 3.46Å; S316-A320 PolarHBondContact O-N 3.41Å; S316-E345 VanDerWaalsContact CA-OE1 3.24Å; S316-E345 WeakPolarHBondContact CA-OE1 3.38Å; S316-E345 VanDerWaalsContact CB-OE1 3.27Å; S316-E345 WeakPolarHBondContact CB-OE1 3.43Å | ||
| 317 | L | 94.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.5 | -45.3 | 174.4 | 171.2 | 55.6 | 0 | 0 | 0 | 110.8 | V306 M310 A320 Y321 M338 L341 L342 E345 | V306-L317 HydrophobicContact CG1-CD1 3.69Å; M310-L317 HydrophobicContact CE-CB 4.16Å; M310-L317 HydrophobicContact SD-CB 4.31Å; M310-L317 HydrophobicContact SD-CD1 3.99Å; L317-A320 PolarHBondContact O-N 2.88Å; L317-Y321 WeakPolarHBondContact O-CB 3.49Å; L317-Y321 PolarHBondContact O-N 2.98Å; L317-M338 HydrophobicContact CD1-SD 4.11Å; L317-M338 HydrophobicContact CD2-SD 3.91Å; L317-M338 HydrophobicContact CG-SD 4.35Å; L317-L341 HydrophobicContact CD1-CB 3.65Å; L317-L341 HydrophobicContact CD1-CD1 3.89Å; L317-L341 HydrophobicContact CD1-CG 4.28Å; L317-L341 HydrophobicContact CD2-CB 4.03Å; L317-L341 HydrophobicContact CG-CB 4.47Å; L317-L342 HydrophobicContact CD2-CB 4.36Å; L317-L342 HydrophobicContact CD2-CD2 3.49Å; L317-L342 VanDerWaalsContact CD2-CD2 3.49Å; L317-L342 HydrophobicContact CD2-CG 3.52Å; L317-E345 PolarHBondContact N-OE1 2.84Å |
| 318 | N | 88.4 | Confident | 95 | Very high | 79 Ų | 79 | 52 Ų | 52 | 42% | 0.422 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.4 | -48.9 | -179.7 | -68.2 | -35.7 | 0 | 0 | 0 | 111.1 | S316 A320 Y321 D322 | S316-N318 PolarHBondContact O-N 3.12Å; N318-A320 PolarHBondContact O-N 3.24Å; N318-Y321 PolarHBondContact O-N 2.94Å; N318-D322 WeakPolarHBondContact O-CB 3.36Å; N318-D322 PolarHBondContact O-N 3.31Å |
| 319 | D | 91.6 | Very high | 94.6 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | -179.8 | -62.3 | -41.8 | 0 | 0 | 0 | 111.7 | L315 S316 F323 | L315-D319 HydrophobicContact CB-CB 4.21Å; L315-D319 HydrophobicContact CD2-CB 4.2Å; S316-D319 PolarHBondContact O-N 3.49Å; S316-D319 WeakPolarHBondContact OG-CB 3.38Å; S316-D319 PolarHBondContact OG-N 3.48Å; S316-D319 VanDerWaalsContact OG-N 3.09Å; S316-D319 PolarHBondContact OG-OD2 2.91Å; D319-F323 VanDerWaalsContact O-CB 3.23Å; D319-F323 WeakPolarHBondContact O-CB 3.48Å; D319-F323 PolarHBondContact O-N 3.41Å |
| 320 | A | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V306 L309 M310 L315 S316 L317 N318 V324 | V306-A320 HydrophobicContact CG1-CB 3.9Å; L309-A320 HydrophobicContact CB-CB 3.98Å; M310-A320 HydrophobicContact CG-CB 3.59Å; L315-A320 HydrophobicContact CB-CB 4.04Å; L315-A320 HydrophobicContact CD1-CB 4.48Å; S316-A320 VanDerWaalsContact O-CB 3.27Å; S316-A320 WeakPolarHBondContact O-CB 3.46Å; S316-A320 PolarHBondContact O-N 3.41Å; L317-A320 PolarHBondContact O-N 2.88Å; N318-A320 PolarHBondContact O-N 3.24Å; A320-V324 WeakPolarHBondContact O-CG2 3.46Å; A320-V324 PolarHBondContact O-N 3.43Å |
| 321 | Y | 95.1 | Very high | 93.8 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.4 | -49.5 | 176.2 | -177.8 | -92.9 | 0 | 0 | 0 | 111.4 | L317 N318 F323 V324 K325 I331 P333 M338 | L317-Y321 WeakPolarHBondContact O-CB 3.49Å; L317-Y321 PolarHBondContact O-N 2.98Å; N318-Y321 PolarHBondContact O-N 2.94Å; Y321-F323 VanDerWaalsContact C-N 3.29Å; Y321-F323 PolarHBondContact O-N 3.25Å; Y321-V324 PolarHBondContact O-N 2.97Å; Y321-V324 VanDerWaalsContact O-N 3.11Å; Y321-K325 HydrophobicContact CE1-CB 4.46Å; Y321-K325 HydrophobicContact CE1-CD 4.45Å; Y321-K325 WeakPolarHBondContact O-CB 3.48Å; Y321-K325 PolarHBondContact O-N 2.59Å; Y321-I331 HydrophobicContact CD2-CD1 4.02Å; Y321-I331 HydrophobicContact CE1-CD1 4.29Å; Y321-I331 HydrophobicContact CE2-CD1 3.67Å; Y321-I331 HydrophobicContact CE2-CG1 4.21Å; Y321-I331 HydrophobicContact CG-CD1 4.47Å; Y321-P333 HydrophobicContact CE2-CG 4.01Å; Y321-M338 HydrophobicContact CD2-CE 3.77Å; Y321-M338 HydrophobicContact CE2-CE 3.67Å |
| 322 | D | 91.6 | Very high | 93.4 | Very high | 80 Ų | 80 | 59.5 Ų | 59.5 | 43% | 0.428 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 179.9 | -77.1 | -13.4 | 0 | 0 | 0 | 111.6 | N318 V324 K325 Q326 | N318-D322 WeakPolarHBondContact O-CB 3.36Å; N318-D322 PolarHBondContact O-N 3.31Å; D322-V324 VanDerWaalsContact C-N 3.3Å; D322-V324 PolarHBondContact O-N 2.89Å; D322-K325 PolarHBondContact O-N 3.01Å; D322-Q326 VanDerWaalsContact O-CG 3.27Å; D322-Q326 WeakPolarHBondContact O-CG 3.48Å; D322-Q326 PolarHBondContact O-N 3.25Å |
| 323 | F | 96.1 | Very high | 93 | Very high | 60 Ų | 60 | 55.6 Ų | 55.6 | 26% | 0.263 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.8 | -43.9 | 173.1 | -175.6 | -83.3 | 0 | 0 | 0 | 112 | I211 L212 L309 D319 Y321 K327 | I211-F323 HydrophobicContact CG2-CD1 4.25Å; I211-F323 HydrophobicContact CG2-CE1 3.86Å; I211-F323 VanDerWaalsContact O-CE1 3.31Å; I211-F323 WeakPolarHBondContact O-CE1 3.45Å; L212-F323 HydrophobicContact CD2-CE1 4.23Å; L212-F323 HydrophobicContact CD2-CZ 3.89Å; L309-F323 HydrophobicContact CD1-CD1 3.64Å; L309-F323 HydrophobicContact CD1-CE1 4.27Å; L309-F323 HydrophobicContact CD1-CG 4.36Å; D319-F323 VanDerWaalsContact O-CB 3.23Å; D319-F323 WeakPolarHBondContact O-CB 3.48Å; D319-F323 PolarHBondContact O-N 3.41Å; Y321-F323 VanDerWaalsContact C-N 3.29Å; Y321-F323 PolarHBondContact O-N 3.25Å; F323-K327 HydrophobicContact CE1-CD 4.17Å |
| 324 | V | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.5 | -39.8 | 176.2 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | I211 L217 V302 T305 V306 L309 A320 Y321 D322 Q326 K327 K328 I331 | I211-V324 HydrophobicContact CD1-CG1 4.07Å; I211-V324 HydrophobicContact CG2-CG2 4.42Å; L217-V324 HydrophobicContact CD2-CG1 3.86Å; V302-V324 HydrophobicContact CG1-CG1 4.39Å; T305-V324 HydrophobicContact CG2-CG2 4.1Å; V306-V324 HydrophobicContact CG2-CB 4.5Å; V306-V324 HydrophobicContact CG2-CG2 3.99Å; L309-V324 HydrophobicContact CD1-CG2 3.53Å; A320-V324 WeakPolarHBondContact O-CG2 3.46Å; A320-V324 PolarHBondContact O-N 3.43Å; Y321-V324 PolarHBondContact O-N 2.97Å; Y321-V324 VanDerWaalsContact O-N 3.11Å; D322-V324 VanDerWaalsContact C-N 3.3Å; D322-V324 PolarHBondContact O-N 2.89Å; V324-Q326 VanDerWaalsContact C-N 3.34Å; V324-Q326 PolarHBondContact O-N 3.28Å; V324-K327 PolarHBondContact O-N 3.36Å; V324-K327 VanDerWaalsContact O-N 3.08Å; V324-K328 PolarHBondContact O-N 3.43Å; V324-I331 HydrophobicContact CB-CD1 3.95Å; V324-I331 HydrophobicContact CG1-CD1 3.91Å; V324-I331 HydrophobicContact CG1-CG2 3.95Å |
| 325 | K | 93.2 | Very high | 91.7 | Very high | 75 Ų | 75 | 51.2 Ų | 51.2 | 33% | 0.326 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | -179.5 | -169.6 | 66.5 | 164.9 | -174.4 | 0 | 112.6 | Y321 D322 K327 K328 S329 I331 | Y321-K325 HydrophobicContact CE1-CB 4.46Å; Y321-K325 HydrophobicContact CE1-CD 4.45Å; Y321-K325 WeakPolarHBondContact O-CB 3.48Å; Y321-K325 PolarHBondContact O-N 2.59Å; D322-K325 PolarHBondContact O-N 3.01Å; K325-K327 PolarHBondContact O-N 3.41Å; K325-K328 CarbonylContact O-C 3.52Å; K325-K328 PolarHBondContact O-N 3.17Å; K325-S329 WeakPolarHBondContact CE-O 3.38Å; K325-S329 PolarHBondContact NZ-O 3.07Å; K325-S329 WeakPolarHBondContact O-CA 3.43Å; K325-S329 PolarHBondContact O-N 3.31Å; K325-I331 HydrophobicContact CB-CD1 3.9Å; K325-I331 HydrophobicContact CB-CG1 4.25Å; K325-I331 HydrophobicContact CD-CD1 4.04Å; K325-I331 HydrophobicContact CD-CG1 3.45Å; K325-I331 VanDerWaalsContact CD-CG1 3.45Å; K325-I331 HydrophobicContact CG-CG1 4.47Å; K325-I331 PolarHBondContact NZ-O 2.67Å |
| 326 | Q | 94.1 | Very high | 91.3 | Very high | 163 Ų | 163 | 51 Ų | 51 | 76% | 0.762 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.9 | -30.7 | 176.9 | -73.8 | 172.7 | 28.9 | 0 | 0 | 112.4 | D322 V324 | D322-Q326 VanDerWaalsContact O-CG 3.27Å; D322-Q326 WeakPolarHBondContact O-CG 3.48Å; D322-Q326 PolarHBondContact O-N 3.25Å; V324-Q326 VanDerWaalsContact C-N 3.34Å; V324-Q326 PolarHBondContact O-N 3.28Å |
| 327 | K | 95.3 | Very high | 91.4 | Very high | 80 Ų | 80 | 50.7 Ų | 50.7 | 35% | 0.348 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -90 | -28.4 | 178.5 | -64.2 | -174 | 166 | -150.9 | 0 | 113.1 | V209 Q210 I211 F323 V324 K325 | V209-K327 HydrophobicContact CG1-CB 3.85Å; Q210-K327 WeakPolarHBondContact O-CD 3.43Å; Q210-K327 PolarHBondContact O-NZ 3.28Å; I211-K327 HydrophobicContact CD1-CB 4.28Å; I211-K327 HydrophobicContact CD1-CD 4.22Å; I211-K327 PolarHBondContact O-NZ 2.9Å; F323-K327 HydrophobicContact CE1-CD 4.17Å; V324-K327 PolarHBondContact O-N 3.36Å; V324-K327 VanDerWaalsContact O-N 3.08Å; K325-K327 PolarHBondContact O-N 3.41Å |
| 328 | K | 91.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 1% | 0.013 | 27% | 0.272 | C | S | . | . | trans | -142 | 99.4 | -179.9 | -177.8 | 170.4 | 166.8 | 56.9 | 0 | 109.9 | F207 V209 L217 G297 V324 K325 N330 I331 | F207-K328 HydrophobicContact CE1-CD 4.19Å; F207-K328 VanDerWaalsContact CE1-NZ 3.26Å; F207-K328 VanDerWaalsContact CZ-NZ 3.34Å; V209-K328 HydrophobicContact CG2-CB 4.38Å; V209-K328 HydrophobicContact CG2-CD 4.31Å; L217-K328 HydrophobicContact CD2-CD 3.91Å; L217-K328 HydrophobicContact CG-CD 4.46Å; G297-K328 WeakPolarHBondContact O-CE 3.23Å; V324-K328 PolarHBondContact O-N 3.43Å; K325-K328 CarbonylContact O-C 3.52Å; K325-K328 PolarHBondContact O-N 3.17Å; K328-N330 VanDerWaalsContact C-N 3.3Å; K328-N330 WeakPolarHBondContact CE-OD1 3.29Å; K328-N330 VanDerWaalsContact CG-OD1 3.27Å; K328-N330 WeakPolarHBondContact CG-OD1 3.13Å; K328-N330 PolarHBondContact NZ-OD1 3.05Å; K328-N330 PolarHBondContact O-N 3.39Å; K328-I331 HydrophobicContact CB-CG2 3.95Å; K328-I331 HydrophobicContact CD-CG2 3.91Å; K328-I331 HydrophobicContact CG-CG2 3.77Å; K328-I331 WeakPolarHBondContact O-CG2 3.26Å; K328-I331 PolarHBondContact O-N 3.02Å | ||
| 329 | S | 90.3 | Very high | 90.8 | Very high | 89 Ų | 89 | 50.4 Ų | 50.4 | 62% | 0.622 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -23.9 | -172.3 | 58.7 | 0 | 0 | 0 | 0 | 114.4 | K325 | K325-S329 WeakPolarHBondContact CE-O 3.38Å; K325-S329 PolarHBondContact NZ-O 3.07Å; K325-S329 WeakPolarHBondContact O-CA 3.43Å; K325-S329 PolarHBondContact O-N 3.31Å |
| 330 | N | 87.3 | Confident | 90.9 | Very high | 80 Ų | 80 | 47.2 Ų | 47.2 | 43% | 0.428 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 17.2 | -178.5 | 73.3 | -26.8 | 0 | 0 | 0 | 114.2 | K328 | K328-N330 VanDerWaalsContact C-N 3.3Å; K328-N330 WeakPolarHBondContact CE-OD1 3.29Å; K328-N330 VanDerWaalsContact CG-OD1 3.27Å; K328-N330 WeakPolarHBondContact CG-OD1 3.13Å; K328-N330 PolarHBondContact NZ-OD1 3.05Å; K328-N330 PolarHBondContact O-N 3.39Å |
| 331 | I | 93.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | trans | -64.6 | 140.6 | 170.9 | 66.4 | 168.2 | 0 | 0 | 0 | 111.2 | V302 Y321 V324 K325 K328 | V302-I331 HydrophobicContact CB-CG2 4.41Å; V302-I331 HydrophobicContact CG1-CB 3.92Å; V302-I331 HydrophobicContact CG1-CD1 4.02Å; V302-I331 HydrophobicContact CG1-CG2 4.02Å; V302-I331 HydrophobicContact CG2-CB 3.93Å; V302-I331 HydrophobicContact CG2-CG2 3.46Å; V302-I331 VanDerWaalsContact CG2-CG2 3.46Å; Y321-I331 HydrophobicContact CD2-CD1 4.02Å; Y321-I331 HydrophobicContact CE1-CD1 4.29Å; Y321-I331 HydrophobicContact CE2-CD1 3.67Å; Y321-I331 HydrophobicContact CE2-CG1 4.21Å; Y321-I331 HydrophobicContact CG-CD1 4.47Å; V324-I331 HydrophobicContact CB-CD1 3.95Å; V324-I331 HydrophobicContact CG1-CD1 3.91Å; V324-I331 HydrophobicContact CG1-CG2 3.95Å; K325-I331 HydrophobicContact CB-CD1 3.9Å; K325-I331 HydrophobicContact CB-CG1 4.25Å; K325-I331 HydrophobicContact CD-CD1 4.04Å; K325-I331 HydrophobicContact CD-CG1 3.45Å; K325-I331 VanDerWaalsContact CD-CG1 3.45Å; K325-I331 HydrophobicContact CG-CG1 4.47Å; K325-I331 PolarHBondContact NZ-O 2.67Å; K328-I331 HydrophobicContact CB-CG2 3.95Å; K328-I331 HydrophobicContact CD-CG2 3.91Å; K328-I331 HydrophobicContact CG-CG2 3.77Å; K328-I331 WeakPolarHBondContact O-CG2 3.26Å; K328-I331 PolarHBondContact O-N 3.02Å | ||
| 332 | S | 89.1 | Confident | 90.5 | Very high | 68 Ų | 68 | 49 Ų | 49 | 48% | 0.476 | 26% | 0.261 | S | S | . | . | trans | -160.9 | 77.2 | 178.3 | -168 | 0 | 0 | 0 | 0 | 109.9 | I298 S299 N334 | I298-S332 CarbonylContact O-C 3.56Å; I298-S332 PolarHBondContact O-N 3.41Å; S299-S332 WeakPolarHBondContact CB-O 3.4Å; S332-N334 PolarHBondContact O-N 3.08Å | ||
| 333 | P | 89.4 | Confident | 90.2 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 7% | 0.071 | 26% | 0.259 | C | S | . | . | trans | -52.2 | 137.8 | 167 | -24.1 | 35.7 | 0 | 0 | 0 | 111 | V302 Y321 M338 | V302-P333 HydrophobicContact CB-CG 4.24Å; V302-P333 HydrophobicContact CG1-CG 3.68Å; Y321-P333 HydrophobicContact CE2-CG 4.01Å; P333-M338 HydrophobicContact CB-CE 4.21Å; P333-M338 HydrophobicContact CG-CE 4.14Å | ||
| 334 | N | 88.4 | Confident | 90.2 | Very high | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | trans | -60.2 | 151.7 | 172.5 | 77.8 | 52.8 | 0 | 0 | 0 | 110.2 | D263 S299 S332 N336 F337 M338 | D263-N334 PolarHBondContact OD1-ND2 3.29Å; S299-N334 PolarHBondContact OG-N 3.23Å; S332-N334 PolarHBondContact O-N 3.08Å; N334-N336 PolarHBondContact O-N 3.42Å; N334-N336 VanDerWaalsContact O-N 3.11Å; N334-N336 WeakPolarHBondContact OD1-CA 2.94Å; N334-N336 WeakPolarHBondContact OD1-CB 3.24Å; N334-N336 PolarHBondContact OD1-N 3.34Å; N334-F337 WeakPolarHBondContact ND2-CD2 3.44Å; N334-F337 WeakPolarHBondContact ND2-CE2 3.48Å; N334-F337 WeakPolarHBondContact ND2-CZ 3.33Å; N334-F337 PolarHBondContact O-N 3.1Å; N334-F337 WeakPolarHBondContact OD1-CG 3.36Å; N334-F337 PolarHBondContact OD1-N 2.83Å; N334-M338 PolarHBondContact O-N 3.26Å | ||
| 335 | F | 74.5 | Confident | 90 | Very high | 78 Ų | 78 | 47.7 Ų | 47.7 | 34% | 0.342 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59 | -28.8 | -173.5 | 64.2 | -89.3 | 0 | 0 | 0 | 113.3 | G63 L64 W265 M338 G339 | G63-F335 VanDerWaalsContact N-CE2 3.31Å; L64-F335 HydrophobicContact CG-CD2 4.48Å; W265-F335 HydrophobicContact CB-CE1 4.2Å; W265-F335 HydrophobicContact CB-CE2 4.02Å; W265-F335 HydrophobicContact CB-CZ 3.33Å; W265-F335 HydrophobicContact CG-CZ 4.26Å; F335-M338 PolarHBondContact O-N 3.49Å; F335-G339 PolarHBondContact O-N 2.81Å |
| 336 | N | 86.1 | Confident | 89.9 | Confident | 38 Ų | 38 | 52.5 Ų | 52.5 | 20% | 0.203 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.2 | -42 | 178.7 | 166.9 | 62.4 | 0 | 0 | 0 | 110.3 | W265 Q267 N334 M338 G339 Q340 | W265-N336 HydrophobicContact CB-CB 4.2Å; W265-N336 PolarHBondContact O-ND2 3.01Å; W265-N336 PolarHBondContact O-OD1 3.32Å; Q267-N336 PolarHBondContact O-ND2 3.37Å; N334-N336 PolarHBondContact O-N 3.42Å; N334-N336 VanDerWaalsContact O-N 3.11Å; N334-N336 WeakPolarHBondContact OD1-CA 2.94Å; N334-N336 WeakPolarHBondContact OD1-CB 3.24Å; N334-N336 PolarHBondContact OD1-N 3.34Å; N336-M338 VanDerWaalsContact C-N 3.32Å; N336-G339 PolarHBondContact O-N 2.88Å; N336-Q340 PolarHBondContact ND2-NE2 2.9Å; N336-Q340 WeakPolarHBondContact O-CG 3.43Å; N336-Q340 PolarHBondContact O-N 3.07Å; N336-Q340 PolarHBondContact OD1-NE2 2.98Å |
| 337 | F | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.2 | -34.3 | 172.2 | -65.6 | -18.4 | 0 | 0 | 0 | 112.4 | I261 Q267 L269 R300 T303 N334 Q340 L341 | I261-F337 HydrophobicContact CG2-CE1 4.38Å; I261-F337 HydrophobicContact CG2-CZ 3.82Å; Q267-F337 HydrophobicContact CB-CE1 4.12Å; Q267-F337 HydrophobicContact CB-CZ 4.26Å; L269-F337 HydrophobicContact CB-CD1 3.8Å; L269-F337 HydrophobicContact CB-CE1 3.59Å; L269-F337 HydrophobicContact CB-CZ 4.18Å; L269-F337 HydrophobicContact CD2-CD1 4.23Å; L269-F337 HydrophobicContact CD2-CD2 4.08Å; L269-F337 HydrophobicContact CD2-CE1 4.19Å; L269-F337 HydrophobicContact CD2-CE2 4.05Å; L269-F337 HydrophobicContact CD2-CG 4.21Å; L269-F337 HydrophobicContact CD2-CZ 4.11Å; R300-F337 HydrophobicContact CB-CE2 4.47Å; R300-F337 HydrophobicContact CG-CD2 4.39Å; R300-F337 HydrophobicContact CG-CE2 3.48Å; R300-F337 VanDerWaalsContact CG-CE2 3.48Å; R300-F337 HydrophobicContact CG-CZ 4.13Å; T303-F337 HydrophobicContact CG2-CB 3.75Å; T303-F337 HydrophobicContact CG2-CG 4.28Å; T303-F337 WeakPolarHBondContact OG1-CB 3.4Å; N334-F337 WeakPolarHBondContact ND2-CD2 3.44Å; N334-F337 WeakPolarHBondContact ND2-CE2 3.48Å; N334-F337 WeakPolarHBondContact ND2-CZ 3.33Å; N334-F337 PolarHBondContact O-N 3.1Å; N334-F337 WeakPolarHBondContact OD1-CG 3.36Å; N334-F337 PolarHBondContact OD1-N 2.83Å; F337-Q340 PolarHBondContact O-N 2.86Å; F337-L341 WeakPolarHBondContact O-CG 3.48Å; F337-L341 PolarHBondContact O-N 2.86Å |
| 338 | M | 93.2 | Very high | 89.7 | Confident | 49 Ų | 49 | 48.5 Ų | 48.5 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 170.4 | -167.3 | 59.4 | 69.7 | 0 | 0 | 111.8 | L317 Y321 P333 N334 F335 N336 Q340 L341 L342 | L317-M338 HydrophobicContact CD1-SD 4.11Å; L317-M338 HydrophobicContact CD2-SD 3.91Å; L317-M338 HydrophobicContact CG-SD 4.35Å; Y321-M338 HydrophobicContact CD2-CE 3.77Å; Y321-M338 HydrophobicContact CE2-CE 3.67Å; P333-M338 HydrophobicContact CB-CE 4.21Å; P333-M338 HydrophobicContact CG-CE 4.14Å; N334-M338 PolarHBondContact O-N 3.26Å; F335-M338 PolarHBondContact O-N 3.49Å; N336-M338 VanDerWaalsContact C-N 3.32Å; M338-Q340 VanDerWaalsContact C-N 3.33Å; M338-Q340 PolarHBondContact O-N 2.96Å; M338-L341 PolarHBondContact O-N 2.92Å; M338-L341 HydrophobicContact SD-CD1 4.36Å; M338-L342 PolarHBondContact O-N 3.2Å |
| 339 | G | 75.8 | Confident | 89.5 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | F335 N336 L341 L342 D343 | F335-G339 PolarHBondContact O-N 2.81Å; N336-G339 PolarHBondContact O-N 2.88Å; G339-L341 VanDerWaalsContact C-N 3.34Å; G339-L341 PolarHBondContact O-N 3.02Å; G339-L342 WeakPolarHBondContact O-CB 3.39Å; G339-L342 PolarHBondContact O-N 3.1Å; G339-D343 PolarHBondContact O-N 3.41Å |
| 340 | Q | 93.5 | Very high | 89.2 | Confident | 14 Ų | 14 | 48.2 Ų | 48.2 | 7% | 0.065 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.6 | -33.7 | 175.7 | -74.8 | 173 | 36.4 | 0 | 0 | 113 | Q267 N336 F337 M338 D343 F344 | Q267-Q340 PolarHBondContact O-NE2 3.29Å; N336-Q340 PolarHBondContact ND2-NE2 2.9Å; N336-Q340 WeakPolarHBondContact O-CG 3.43Å; N336-Q340 PolarHBondContact O-N 3.07Å; N336-Q340 PolarHBondContact OD1-NE2 2.98Å; F337-Q340 PolarHBondContact O-N 2.86Å; M338-Q340 VanDerWaalsContact C-N 3.33Å; M338-Q340 PolarHBondContact O-N 2.96Å; Q340-D343 PolarHBondContact O-N 3.31Å; Q340-F344 WeakPolarHBondContact O-CB 3.46Å; Q340-F344 PolarHBondContact O-N 3.22Å |
| 341 | L | 95 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.2 | -39.5 | 172.2 | -72.8 | 169 | 0 | 0 | 0 | 111.7 | F273 T303 V306 A307 M310 L317 F337 M338 G339 F344 E345 | F273-L341 HydrophobicContact CE2-CD2 4.07Å; F273-L341 HydrophobicContact CZ-CD2 3.89Å; F273-L341 HydrophobicContact CZ-CG 4.47Å; T303-L341 HydrophobicContact CG2-CD1 3.9Å; T303-L341 HydrophobicContact CG2-CD2 4.09Å; T303-L341 HydrophobicContact CG2-CG 3.88Å; V306-L341 HydrophobicContact CB-CD1 4.2Å; V306-L341 HydrophobicContact CB-CD2 4.43Å; V306-L341 HydrophobicContact CG1-CD1 3.93Å; V306-L341 HydrophobicContact CG1-CD2 4.18Å; A307-L341 HydrophobicContact CB-CD2 3.75Å; M310-L341 HydrophobicContact SD-CD2 4Å; L317-L341 HydrophobicContact CD1-CB 3.65Å; L317-L341 HydrophobicContact CD1-CD1 3.89Å; L317-L341 HydrophobicContact CD1-CG 4.28Å; L317-L341 HydrophobicContact CD2-CB 4.03Å; L317-L341 HydrophobicContact CG-CB 4.47Å; F337-L341 WeakPolarHBondContact O-CG 3.48Å; F337-L341 PolarHBondContact O-N 2.86Å; M338-L341 PolarHBondContact O-N 2.92Å; M338-L341 HydrophobicContact SD-CD1 4.36Å; G339-L341 VanDerWaalsContact C-N 3.34Å; G339-L341 PolarHBondContact O-N 3.02Å; L341-F344 WeakPolarHBondContact O-CB 3.26Å; L341-F344 PolarHBondContact O-N 3.36Å; L341-E345 PolarHBondContact O-N 2.86Å |
| 342 | L | 89.1 | Confident | 86.7 | Confident | 84 Ų | 84 | 51.4 Ų | 51.4 | 44% | 0.44 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 172.8 | -74.5 | 165.6 | 0 | 0 | 0 | 112.2 | L317 M338 G339 F344 R346 | L317-L342 HydrophobicContact CD2-CB 4.36Å; L317-L342 HydrophobicContact CD2-CD2 3.49Å; L317-L342 VanDerWaalsContact CD2-CD2 3.49Å; L317-L342 HydrophobicContact CD2-CG 3.52Å; M338-L342 PolarHBondContact O-N 3.2Å; G339-L342 WeakPolarHBondContact O-CB 3.39Å; G339-L342 PolarHBondContact O-N 3.1Å; L342-F344 VanDerWaalsContact C-N 3.33Å; L342-R346 PolarHBondContact O-N 2.92Å |
| 343 | D | 85.3 | Confident | 85 | Confident | 75 Ų | 75 | 54 Ų | 54 | 40% | 0.401 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 172.3 | -73.3 | -39 | 0 | 0 | 0 | 110.4 | G339 Q340 R346 T347 | G339-D343 PolarHBondContact O-N 3.41Å; Q340-D343 PolarHBondContact O-N 3.31Å; D343-R346 WeakPolarHBondContact O-CB 3.39Å; D343-R346 PolarHBondContact O-N 3.18Å; D343-R346 IonicContact OD1-CZ 3.43Å; D343-R346 IonicContact OD1-NH1 3.67Å; D343-R346 IonicContact OD1-NH2 2.59Å; D343-R346 PolarHBondContact OD1-NH2 3.01Å; D343-T347 WeakPolarHBondContact O-CG2 3.28Å; D343-T347 PolarHBondContact O-N 3.4Å; D343-T347 VanDerWaalsContact O-N 3.17Å |
| 344 | F | 95.6 | Very high | 83 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 11% | 0.105 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 179.5 | -174.4 | -121.5 | 0 | 0 | 0 | 112.9 | F273 I277 A307 M310 Q311 Q340 L341 L342 R346 T347 L348 | F273-F344 HydrophobicContact CB-CE2 4.43Å; F273-F344 HydrophobicContact CB-CZ 4.43Å; F273-F344 HydrophobicContact CD2-CB 4.13Å; F273-F344 AromaticContact CD2-CD1 3.87Å; F273-F344 HydrophobicContact CD2-CD1 3.87Å; F273-F344 AromaticContact CD2-CD2 3.83Å; F273-F344 HydrophobicContact CD2-CD2 3.83Å; F273-F344 HydrophobicContact CD2-CE1 4.18Å; F273-F344 HydrophobicContact CD2-CE2 4.15Å; F273-F344 AromaticContact CD2-CG 3.68Å; F273-F344 HydrophobicContact CD2-CG 3.68Å; F273-F344 HydrophobicContact CD2-CZ 4.31Å; F273-F344 HydrophobicContact CE2-CB 3.94Å; F273-F344 HydrophobicContact CE2-CD1 4.12Å; F273-F344 HydrophobicContact CE2-CD2 4.49Å; F273-F344 AromaticContact CE2-CG 3.95Å; F273-F344 HydrophobicContact CE2-CG 3.95Å; I277-F344 HydrophobicContact CD1-CE1 4.39Å; I277-F344 HydrophobicContact CD1-CZ 4.05Å; A307-F344 HydrophobicContact CB-CD1 4.1Å; A307-F344 HydrophobicContact CB-CE1 3.94Å; M310-F344 HydrophobicContact CE-CD1 4.06Å; M310-F344 HydrophobicContact SD-CD1 4.42Å; Q311-F344 HydrophobicContact CB-CE1 4.35Å; Q311-F344 HydrophobicContact CB-CZ 4.23Å; Q340-F344 WeakPolarHBondContact O-CB 3.46Å; Q340-F344 PolarHBondContact O-N 3.22Å; L341-F344 WeakPolarHBondContact O-CB 3.26Å; L341-F344 PolarHBondContact O-N 3.36Å; L342-F344 VanDerWaalsContact C-N 3.33Å; F344-R346 VanDerWaalsContact C-N 3.28Å; F344-R346 PolarHBondContact O-N 3.14Å; F344-T347 WeakPolarHBondContact CD2-OG1 3.3Å; F344-T347 PolarHBondContact O-N 3.29Å; F344-T347 PolarHBondContact O-OG1 2.84Å; F344-L348 HydrophobicContact CD1-CD1 3.98Å; F344-L348 HydrophobicContact CD1-CG 4.5Å; F344-L348 HydrophobicContact CE1-CD1 3.6Å; F344-L348 HydrophobicContact CE1-CG 4.22Å; F344-L348 HydrophobicContact CE2-CD2 4.21Å; F344-L348 HydrophobicContact CE2-CG 4.31Å; F344-L348 HydrophobicContact CZ-CD1 3.92Å; F344-L348 HydrophobicContact CZ-CD2 4.01Å; F344-L348 HydrophobicContact CZ-CG 4.13Å; F344-L348 WeakPolarHBondContact O-CG 3.19Å; F344-L348 PolarHBondContact O-N 3.3Å |
| 345 | E | 94.8 | Very high | 81.1 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -53.6 | -45.9 | 174.1 | -169.7 | 177.4 | -146.5 | 0 | 0 | 111.6 | M310 S316 L317 L341 T347 L348 G349 L350 S352 | M310-E345 HydrophobicContact CE-CB 3.46Å; M310-E345 VanDerWaalsContact CE-CB 3.46Å; M310-E345 HydrophobicContact CE-CG 4.01Å; S316-E345 VanDerWaalsContact CA-OE1 3.24Å; S316-E345 WeakPolarHBondContact CA-OE1 3.38Å; S316-E345 VanDerWaalsContact CB-OE1 3.27Å; S316-E345 WeakPolarHBondContact CB-OE1 3.43Å; L317-E345 PolarHBondContact N-OE1 2.84Å; L341-E345 PolarHBondContact O-N 2.86Å; E345-T347 VanDerWaalsContact C-N 3.34Å; E345-T347 PolarHBondContact O-N 3.04Å; E345-L348 PolarHBondContact O-N 3Å; E345-L348 VanDerWaalsContact O-N 3.13Å; E345-G349 PolarHBondContact O-N 2.92Å; E345-L350 HydrophobicContact CG-CB 3.92Å; E345-L350 PolarHBondContact O-N 3.25Å; E345-S352 PolarHBondContact OE1-OG 2.91Å |
| 346 | R | 90.1 | Very high | 79.5 | Confident | 176 Ų | 176 | 64.7 Ų | 64.7 | 66% | 0.664 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.4 | -40.7 | 174.6 | -93.6 | -175.3 | -74 | 135.8 | -3.6 | 112.5 | L342 D343 F344 L348 G349 | L342-R346 PolarHBondContact O-N 2.92Å; D343-R346 WeakPolarHBondContact O-CB 3.39Å; D343-R346 PolarHBondContact O-N 3.18Å; D343-R346 IonicContact OD1-CZ 3.43Å; D343-R346 IonicContact OD1-NH1 3.67Å; D343-R346 IonicContact OD1-NH2 2.59Å; D343-R346 PolarHBondContact OD1-NH2 3.01Å; F344-R346 VanDerWaalsContact C-N 3.28Å; F344-R346 PolarHBondContact O-N 3.14Å; R346-L348 PolarHBondContact O-N 3.3Å; R346-G349 PolarHBondContact O-N 3.01Å; R346-G349 VanDerWaalsContact O-N 3.17Å |
| 347 | T | 94 | Very high | 77.6 | Confident | 107 Ų | 107 | 72 Ų | 72 | 66% | 0.656 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66.9 | -27 | 177.2 | 66.6 | 0 | 0 | 0 | 0 | 113.2 | D343 F344 E345 G349 | D343-T347 WeakPolarHBondContact O-CG2 3.28Å; D343-T347 PolarHBondContact O-N 3.4Å; D343-T347 VanDerWaalsContact O-N 3.17Å; F344-T347 WeakPolarHBondContact CD2-OG1 3.3Å; F344-T347 PolarHBondContact O-N 3.29Å; F344-T347 PolarHBondContact O-OG1 2.84Å; E345-T347 VanDerWaalsContact C-N 3.34Å; E345-T347 PolarHBondContact O-N 3.04Å; T347-G349 VanDerWaalsContact C-N 3.32Å |
| 348 | L | 92.7 | Very high | 74.8 | Confident | 53 Ų | 53 | 76.1 Ų | 76.1 | 28% | 0.277 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -81.7 | -10.2 | 175.7 | -64.2 | 178.8 | 0 | 0 | 0 | 113 | M310 Q311 F344 E345 R346 L350 | M310-L348 HydrophobicContact CB-CD1 3.98Å; Q311-L348 HydrophobicContact CB-CD1 4.15Å; Q311-L348 HydrophobicContact CB-CD2 4.37Å; Q311-L348 HydrophobicContact CG-CD2 4.17Å; F344-L348 HydrophobicContact CD1-CD1 3.98Å; F344-L348 HydrophobicContact CD1-CG 4.5Å; F344-L348 HydrophobicContact CE1-CD1 3.6Å; F344-L348 HydrophobicContact CE1-CG 4.22Å; F344-L348 HydrophobicContact CE2-CD2 4.21Å; F344-L348 HydrophobicContact CE2-CG 4.31Å; F344-L348 HydrophobicContact CZ-CD1 3.92Å; F344-L348 HydrophobicContact CZ-CD2 4.01Å; F344-L348 HydrophobicContact CZ-CG 4.13Å; F344-L348 WeakPolarHBondContact O-CG 3.19Å; F344-L348 PolarHBondContact O-N 3.3Å; E345-L348 PolarHBondContact O-N 3Å; E345-L348 VanDerWaalsContact O-N 3.13Å; R346-L348 PolarHBondContact O-N 3.3Å; L348-L350 VanDerWaalsContact C-N 3.29Å; L348-L350 HydrophobicContact CB-CD1 3.86Å; L348-L350 HydrophobicContact CB-CG 3.79Å; L348-L350 HydrophobicContact CD1-CD1 3.8Å; L348-L350 PolarHBondContact O-N 2.63Å |
| 349 | G | 87.5 | Confident | 72.3 | Confident | 57 Ų | 57 | 80.2 Ų | 80.2 | 59% | 0.588 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 27.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E345 R346 T347 | E345-G349 PolarHBondContact O-N 2.92Å; R346-G349 PolarHBondContact O-N 3.01Å; R346-G349 VanDerWaalsContact O-N 3.17Å; T347-G349 VanDerWaalsContact C-N 3.32Å |
| 350 | L | 82.7 | Confident | 70.5 | Confident | 29 Ų | 29 | 82.7 Ų | 82.7 | 15% | 0.152 | 46% | 0.463 | C | S | . | . | trans | -86.9 | 130.5 | 177.9 | -58.8 | 173.5 | 0 | 0 | 0 | 109.1 | M310 N314 L315 E345 L348 | M310-L350 HydrophobicContact CB-CD1 4.38Å; N314-L350 HydrophobicContact CB-CD2 4.26Å; L315-L350 VanDerWaalsContact O-CD1 3.23Å; L315-L350 WeakPolarHBondContact O-CD1 3.38Å; E345-L350 HydrophobicContact CG-CB 3.92Å; E345-L350 PolarHBondContact O-N 3.25Å; L348-L350 VanDerWaalsContact C-N 3.29Å; L348-L350 HydrophobicContact CB-CD1 3.86Å; L348-L350 HydrophobicContact CB-CG 3.79Å; L348-L350 HydrophobicContact CD1-CD1 3.8Å; L348-L350 PolarHBondContact O-N 2.63Å | ||
| 351 | N | 68.6 | Low | 68 | Low | 140 Ų | 140 | 90.2 Ų | 90.2 | 75% | 0.749 | 50% | 0.504 | S | S | * | . | trans | -104.1 | 127.8 | 177.3 | -66.2 | -25.1 | 0 | 0 | 0 | 109.3 | ||||
| 352 | S | 60.4 | Low | 65.3 | Low | 8 Ų | 8 | 96 Ų | 96 | 6% | 0.056 | 53% | 0.534 | C | S | . | . | trans | -77.2 | 140.9 | 170.5 | -84 | 0 | 0 | 0 | 0 | 110.1 | E345 C354 D355 | E345-S352 PolarHBondContact OE1-OG 2.91Å; S352-C354 PolarHBondContact O-N 3.36Å; S352-D355 WeakPolarHBondContact O-CB 3.41Å; S352-D355 PolarHBondContact O-N 3.39Å | ||
| 353 | P | 52.3 | Low | 63 | Low | 123 Ų | 123 | 99.3 Ų | 99.3 | 80% | 0.799 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18.7 | 176.5 | -24.1 | 32.7 | 0 | 0 | 0 | 114.4 | ||
| 354 | C | 47.9 | Very low | 60.6 | Low | 91 Ų | 91 | 103 Ų | 103 | 62% | 0.615 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -3.9 | 175 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | S352 N356 | S352-C354 PolarHBondContact O-N 3.36Å; C354-N356 VanDerWaalsContact C-N 3.27Å; C354-N356 PolarHBondContact O-N 2.86Å |
| 355 | D | 49.2 | Very low | 57.9 | Low | 92 Ų | 92 | 109.5 Ų | 109.5 | 49% | 0.492 | 60% | 0.595 | S | S | . | * | trans | -76.7 | 81.1 | 168.6 | -86.8 | -37.6 | 0 | 0 | 0 | 109.6 | S352 R357 | S352-D355 WeakPolarHBondContact O-CB 3.41Å; S352-D355 PolarHBondContact O-N 3.39Å; D355-R357 PolarHBondContact O-N 3.24Å | ||
| 356 | N | 40.3 | Very low | 55 | Low | 157 Ų | 157 | 117.7 Ų | 117.7 | 84% | 0.84 | 63% | 0.631 | S | S | * | * | trans | -70.1 | 39.4 | 161.6 | -84.6 | -24.3 | 0 | 0 | 0 | 111.7 | C354 S358 | C354-N356 VanDerWaalsContact C-N 3.27Å; C354-N356 PolarHBondContact O-N 2.86Å; N356-S358 VanDerWaalsContact C-N 3.33Å; N356-S358 PolarHBondContact O-N 3.35Å | ||
| 357 | R | 46.5 | Very low | 52.3 | Low | 192 Ų | 192 | 115.7 Ų | 115.7 | 73% | 0.725 | 64% | 0.639 | S | S | * | * | trans | -91.6 | 82.3 | 159 | -72.9 | -173.7 | -178.3 | -141.5 | -0.2 | 106.5 | D355 S359 | D355-R357 PolarHBondContact O-N 3.24Å; R357-S359 PolarHBondContact O-N 3.39Å | ||
| 358 | S | 36.4 | Very low | 49.4 | Very low | 86 Ų | 86 | 115.2 Ų | 115.2 | 60% | 0.601 | 64% | 0.636 | S | S | * | * | trans | -45.2 | 132.9 | 160.9 | 37.4 | 0 | 0 | 0 | 0 | 109 | N356 T360 | N356-S358 VanDerWaalsContact C-N 3.33Å; N356-S358 PolarHBondContact O-N 3.35Å; S358-T360 PolarHBondContact O-N 2.72Å | ||
| 359 | S | 41.6 | Very low | 46.9 | Very low | 135 Ų | 135 | 119 Ų | 119 | 94% | 0.944 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -63.2 | 70.8 | 168.5 | -46.2 | 0 | 0 | 0 | 0 | 109.6 | R357 | R357-S359 PolarHBondContact O-N 3.39Š|
| 360 | T | 36.1 | Very low | 44.8 | Very low | 80 Ų | 80 | 121.6 Ų | 121.6 | 49% | 0.491 | 67% | 0.668 | S | S | . | * | trans | -113.8 | 139.1 | 169 | 51.7 | 0 | 0 | 0 | 0 | 107.9 | S358 D362 | S358-T360 PolarHBondContact O-N 2.72Å; T360-D362 VanDerWaalsContact CB-OD2 3.31Å; T360-D362 WeakPolarHBondContact CB-OD2 3.31Å; T360-D362 PolarHBondContact O-N 3.18Å; T360-D362 PolarHBondContact OG1-OD2 2.77Å | ||
| 361 | N | 42.3 | Very low | 42.6 | Very low | 173 Ų | 173 | 127.8 Ų | 127.8 | 93% | 0.925 | 70% | 0.701 | S | S | * | * | trans | -71.3 | 43.7 | -175.1 | -144.9 | 13.1 | 0 | 0 | 0 | 111.3 | Q363 | N361-Q363 PolarHBondContact O-N 3.44Š| ||
| 362 | D | 37.6 | Very low | 41.3 | Very low | 120 Ų | 120 | 130 Ų | 130 | 64% | 0.642 | 71% | 0.706 | S | S | * | * | trans | -91 | 109.2 | -170.2 | -70.9 | -37.1 | 0 | 0 | 0 | 110 | T360 L364 | T360-D362 VanDerWaalsContact CB-OD2 3.31Å; T360-D362 WeakPolarHBondContact CB-OD2 3.31Å; T360-D362 PolarHBondContact O-N 3.18Å; T360-D362 PolarHBondContact OG1-OD2 2.77Å; D362-L364 PolarHBondContact O-N 2.71Å | ||
| 363 | Q | 40.3 | Very low | 40.2 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | trans | -50.6 | 117.3 | 171.4 | -68.6 | 177.4 | -17.8 | 0 | 0 | 110.1 | N361 F365 | N361-Q363 PolarHBondContact O-N 3.44Å; Q363-F365 HydrophobicContact CB-CE2 4.12Å; Q363-F365 WeakPolarHBondContact O-CD2 3.45Å; Q363-F365 PolarHBondContact O-N 3.46Å; Q363-F365 VanDerWaalsContact O-N 3.15Å | ||
| 364 | L | 36.7 | Very low | 39.4 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | -72.6 | 103.8 | 177.8 | -68 | 167.3 | 0 | 0 | 0 | 109.8 | D362 | D362-L364 PolarHBondContact O-N 2.71Š| ||
| 365 | F | 38.8 | Very low | 38.9 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 125.8 | 164.5 | -66.6 | -82.2 | 0 | 0 | 0 | 109.9 | Q363 | Q363-F365 HydrophobicContact CB-CE2 4.12Å; Q363-F365 WeakPolarHBondContact O-CD2 3.45Å; Q363-F365 PolarHBondContact O-N 3.46Å; Q363-F365 VanDerWaalsContact O-N 3.15Å |
| 366 | F | 32.2 | Very low | 38.1 | Very low | 185 Ų | 185 | 144.6 Ų | 144.6 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 116.8 | 169.7 | -150 | -84.6 | 0 | 0 | 0 | 108.2 | T368 | F366-T368 HydrophobicContact CD1-CG2 4.33Å; F366-T368 HydrophobicContact CE1-CG2 4.13Å |
| 367 | T | 33.9 | Very low | 37.9 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 123 | 165.1 | 40.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 368 | T | 34 | Very low | 37.3 | Very low | 97 Ų | 97 | 142.5 Ų | 142.5 | 60% | 0.595 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 153.2 | 163.4 | 22.1 | 0 | 0 | 0 | 0 | 109.3 | F366 T370 | F366-T368 HydrophobicContact CD1-CG2 4.33Å; F366-T368 HydrophobicContact CE1-CG2 4.13Å; T368-T370 PolarHBondContact O-N 3.41Å |
| 369 | P | 39.3 | Very low | 37.3 | Very low | 132 Ų | 132 | 145 Ų | 145 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -72.2 | 10.8 | -171.5 | -15.4 | 30.5 | 0 | 0 | 0 | 116 | ||
| 370 | T | 43.7 | Very low | 37 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -151.1 | 78.8 | -175.6 | 48 | 0 | 0 | 0 | 0 | 111.4 | T368 | T368-T370 PolarHBondContact O-N 3.41Š|
| 371 | N | 37.1 | Very low | 37.2 | Very low | 159 Ų | 159 | 152.1 Ų | 152.1 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | 161.1 | 118.1 | 139.1 | -92.5 | -43.7 | 0 | 0 | 0 | 109.8 | N373 | N371-N373 PolarHBondContact O-N 3.48Å; N371-N373 VanDerWaalsContact O-N 3.1Å | ||
| 372 | H | 40.3 | Very low | 36.8 | Very low | 186 Ų | 186 | 149.6 Ų | 149.6 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -73.3 | 93 | 164.2 | -77.3 | -71.9 | 0 | 0 | 0 | 108.6 | ||||
| 373 | N | 38.1 | Very low | 36.8 | Very low | 141 Ų | 141 | 154.2 Ų | 154.2 | 75% | 0.754 | 82% | 0.822 | S | S | * | * | trans | -165.4 | 117.4 | 149.9 | -87 | -35.3 | 0 | 0 | 0 | 108.8 | N371 F375 | N371-N373 PolarHBondContact O-N 3.48Å; N371-N373 VanDerWaalsContact O-N 3.1Å; N373-F375 HydrophobicContact CB-CE2 4.42Å | ||
| 374 | V | 35.2 | Very low | 36.6 | Very low | 127 Ų | 127 | 154.2 Ų | 154.2 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | trans | -86.8 | 125.2 | 179.8 | -176.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 375 | F | 38.4 | Very low | 36.6 | Very low | 188 Ų | 188 | 154.3 Ų | 154.3 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -116.3 | 125.3 | 167 | -79.2 | -79.2 | 0 | 0 | 0 | 109.9 | N373 | N373-F375 HydrophobicContact CB-CE2 4.42Š| ||
| 376 | Q | 32.1 | Very low | 36.5 | Very low | 166 Ų | 166 | 154 Ų | 154 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | trans | -85.6 | 130.5 | 175.2 | -174.1 | 173.4 | -9.3 | 0 | 0 | 108.8 | ||||
| 377 | L | 35.6 | Very low | 36.7 | Very low | 170 Ų | 170 | 152.2 Ų | 152.2 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | trans | -101.6 | 109.7 | 171.1 | -100.1 | 147.6 | 0 | 0 | 0 | 107.7 | T379 | L377-T379 PolarHBondContact O-N 3.15Š| ||
| 378 | D | 33.8 | Very low | 36.9 | Very low | 135 Ų | 135 | 153.3 Ų | 153.3 | 72% | 0.722 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 124 | 173.3 | -76.7 | -28.3 | 0 | 0 | 0 | 110.1 | L380 | D378-L380 PolarHBondContact O-N 2.94Š|
| 379 | T | 35.5 | Very low | 37.1 | Very low | 137 Ų | 137 | 157 Ų | 157 | 84% | 0.84 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 117.2 | 168.5 | 19.6 | 0 | 0 | 0 | 0 | 109.7 | L377 E381 | L377-T379 PolarHBondContact O-N 3.15Å; T379-E381 PolarHBondContact O-N 3.1Å |
| 380 | L | 36 | Very low | 36.9 | Very low | 175 Ų | 175 | 158.8 Ų | 158.8 | 92% | 0.916 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 126.3 | 162.2 | -83 | 162.4 | 0 | 0 | 0 | 109.1 | D378 | D378-L380 PolarHBondContact O-N 2.94Š|
| 381 | E | 39.4 | Very low | 36.4 | Very low | 190 Ų | 190 | 162.5 Ų | 162.5 | 89% | 0.888 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 147.6 | -178 | -69.9 | 176.5 | 137.7 | 0 | 0 | 113.3 | T379 | T379-E381 PolarHBondContact O-N 3.1Š|
| 382 | S | 34 | Very low | 36.4 | Very low | 121 Ų | 121 | 162.8 Ų | 162.8 | 85% | 0.846 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 138.9 | 168.6 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 383 | T | 37.6 | Very low | 36 | Very low | 217 Ų | 217 | 160.6 Ų | 160.6 | 100% | 1.331 | 87% | 0.869 | S | S | * | * | trans | -132.7 | 0 | 138.7 | 47.8 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 383 of 383 residues in 475.4 ms
(Link to these results)