| 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 | C | 31.5 | Very low | 29.2 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 100% | 1.203 | 84% | 0.836 | S | S | * | * | 0 | 134.8 | 0 | -94.5 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 2 | L | 29.6 | Very low | 29.4 | Very low | 170 Ų | 170 | 146 Ų | 146 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | 76.2 | 98.8 | 178.2 | -75.9 | 113.7 | 0 | 0 | 0 | 118.5 | ||||
| 3 | L | 26.3 | Very low | 29.2 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | -53.7 | 146.8 | 151.5 | -70.7 | 131.5 | 0 | 0 | 0 | 112.2 | ||||
| 4 | L | 30.5 | Very low | 29.2 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | -156.1 | 126 | 123.6 | -132.9 | 82.9 | 0 | 0 | 0 | 110.4 | |||||
| 5 | N | 29.4 | Very low | 29.1 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 67% | 0.674 | 81% | 0.811 | S | S | * | * | trans | -66.7 | 149.4 | 172.1 | -77.8 | -63.7 | 0 | 0 | 0 | 111.5 | ||||
| 6 | L | 30.1 | Very low | 28.8 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -155 | 134 | 139.2 | -102.9 | 158.5 | 0 | 0 | 0 | 110.4 | ||||
| 7 | F | 28.3 | Very low | 28.7 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -76.4 | 158.6 | -172.1 | -94.4 | -105.6 | 0 | 0 | 0 | 113.7 | ||||
| 8 | T | 26.6 | Very low | 28.6 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 67.4 | 140.7 | 150.7 | 45 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 9 | L | 28.1 | Very low | 28.7 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | cis | -159.3 | 125.7 | 29 | -153.7 | 84.4 | 0 | 0 | 0 | 107.7 | I11 | L9-I11 HydrophobicContact CD2-CG1 4.36Å; L9-I11 PolarHBondContact O-N 2.63Å | ||
| 10 | A | 29.4 | Very low | 28.6 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -80.4 | 106.9 | 169 | 0 | 0 | 0 | 0 | 0 | 108.7 | S12 | A10-S12 PolarHBondContact O-N 3.31Š| ||
| 11 | I | 31.8 | Very low | 29.1 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | trans | -78.6 | 91.3 | 171.2 | -60.7 | 173.6 | 0 | 0 | 0 | 107.4 | L9 G13 | L9-I11 HydrophobicContact CD2-CG1 4.36Å; L9-I11 PolarHBondContact O-N 2.63Å; I11-G13 PolarHBondContact O-N 2.88Å | ||
| 12 | S | 31.5 | Very low | 29.6 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | -70.8 | 95.1 | 158.9 | 165.4 | 0 | 0 | 0 | 0 | 107.8 | A10 R14 | A10-S12 PolarHBondContact O-N 3.31Å; S12-R14 VanDerWaalsContact C-N 3.32Å; S12-R14 PolarHBondContact O-N 2.97Å | ||
| 13 | G | 26.1 | Very low | 30.6 | Very low | 66 Ų | 66 | 138.2 Ų | 138.2 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | trans | -67.3 | 87.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | I11 L15 | I11-G13 PolarHBondContact O-N 2.88Å; G13-L15 PolarHBondContact O-N 3.25Å | ||
| 14 | R | 29.6 | Very low | 31.8 | Very low | 205 Ų | 205 | 133 Ų | 133 | 77% | 0.774 | 72% | 0.722 | S | S | * | * | trans | -72.6 | 109.6 | 158.7 | -78.8 | -175.5 | -174.9 | -149 | 0.7 | 106.9 | S12 H16 | S12-R14 VanDerWaalsContact C-N 3.32Å; S12-R14 PolarHBondContact O-N 2.97Å; R14-H16 VanDerWaalsContact C-N 3.35Å; R14-H16 PolarHBondContact O-N 3.35Å | ||
| 15 | L | 27.1 | Very low | 33 | Very low | 159 Ų | 159 | 126.3 Ų | 126.3 | 83% | 0.832 | 69% | 0.689 | S | S | * | * | trans | -60.4 | 102.9 | 158.2 | -100.1 | 87.2 | 0 | 0 | 0 | 107.3 | G13 L17 | G13-L15 PolarHBondContact O-N 3.25Å; L15-L17 PolarHBondContact O-N 2.65Å | ||
| 16 | H | 25.7 | Very low | 34.1 | Very low | 151 Ų | 151 | 121.6 Ų | 121.6 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | trans | -75.8 | 98.6 | 158.3 | -95.7 | 40.2 | 0 | 0 | 0 | 107 | R14 T18 | R14-H16 VanDerWaalsContact C-N 3.35Å; R14-H16 PolarHBondContact O-N 3.35Å; H16-T18 VanDerWaalsContact C-N 3.27Å; H16-T18 PolarHBondContact O-N 3.18Å | ||
| 17 | L | 27.1 | Very low | 35 | Very low | 161 Ų | 161 | 116.2 Ų | 116.2 | 84% | 0.843 | 64% | 0.64 | S | S | * | * | trans | -69.9 | 92.3 | 157.8 | -88.7 | 144.4 | 0 | 0 | 0 | 106.9 | L15 S19 | L15-L17 PolarHBondContact O-N 2.65Å; L17-S19 PolarHBondContact O-N 3.28Å | ||
| 18 | T | 26 | Very low | 35.7 | Very low | 115 Ų | 115 | 116.3 Ų | 116.3 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | trans | -74.4 | 98.6 | 165.3 | 52 | 0 | 0 | 0 | 0 | 107.5 | H16 K20 | H16-T18 VanDerWaalsContact C-N 3.27Å; H16-T18 PolarHBondContact O-N 3.18Å; T18-K20 PolarHBondContact O-N 3.07Å; T18-K20 VanDerWaalsContact O-N 3.08Å | ||
| 19 | S | 30.2 | Very low | 36.3 | Very low | 115 Ų | 115 | 112.5 Ų | 112.5 | 80% | 0.804 | 63% | 0.625 | S | S | * | * | trans | -68.8 | 101.6 | 161.3 | 62.7 | 0 | 0 | 0 | 0 | 107.2 | L17 S21 | L17-S19 PolarHBondContact O-N 3.28Å; S19-S21 PolarHBondContact O-N 2.81Å; S19-S21 VanDerWaalsContact O-N 3.15Å | ||
| 20 | K | 28 | Very low | 37.2 | Very low | 166 Ų | 166 | 112.7 Ų | 112.7 | 72% | 0.722 | 63% | 0.625 | S | S | * | * | trans | -64.2 | 112.4 | 163.5 | -86.1 | -176.8 | 172.5 | -176.6 | 0 | 106.9 | T18 E22 | T18-K20 PolarHBondContact O-N 3.07Å; T18-K20 VanDerWaalsContact O-N 3.08Å; K20-E22 VanDerWaalsContact C-N 3.33Å; K20-E22 HydrophobicContact CB-CG 4.09Å; K20-E22 PolarHBondContact O-N 2.91Å; K20-E22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | S | 37.5 | Very low | 38.6 | Very low | 116 Ų | 116 | 108.1 Ų | 108.1 | 81% | 0.811 | 59% | 0.587 | S | S | * | * | trans | -70.1 | 97.2 | 157.7 | 54.6 | 0 | 0 | 0 | 0 | 106.4 | S19 E23 | S19-S21 PolarHBondContact O-N 2.81Å; S19-S21 VanDerWaalsContact O-N 3.15Å; S21-E23 PolarHBondContact O-N 2.99Å | ||
| 22 | E | 43.8 | Very low | 40.8 | Very low | 102 Ų | 102 | 102.1 Ų | 102.1 | 48% | 0.477 | 56% | 0.563 | S | S | . | * | trans | -74 | 120.2 | 176.4 | -63.5 | -167.4 | 159.3 | 0 | 0 | 109 | K20 | K20-E22 VanDerWaalsContact C-N 3.33Å; K20-E22 HydrophobicContact CB-CG 4.09Å; K20-E22 PolarHBondContact O-N 2.91Å; K20-E22 VanDerWaalsContact O-N 3.13Å | ||
| 23 | E | 48.9 | Very low | 43.6 | Very low | 143 Ų | 143 | 99.2 Ų | 99.2 | 67% | 0.668 | 54% | 0.539 | S | S | * | . | trans | -74 | 121.4 | -176.6 | -166.4 | 169.2 | -163.1 | 0 | 0 | 109 | S21 | S21-E23 PolarHBondContact O-N 2.99Š| ||
| 24 | W | 51.7 | Low | 46.6 | Very low | 35 Ų | 35 | 101 Ų | 101 | 13% | 0.133 | 54% | 0.541 | C | S | . | . | trans | -110.8 | 152.9 | 179.5 | 58.2 | -91.3 | 0 | 0 | 0 | 109.7 | Q26 W36 F40 H87 T222 P223 | W24-Q26 HydrophobicContact CZ3-CG 3.95Å; W24-W36 HydrophobicContact CE3-CH2 4.49Å; W24-W36 AromaticContact CE3-CZ2 3.65Å; W24-W36 HydrophobicContact CE3-CZ2 3.65Å; W24-W36 HydrophobicContact CZ3-CH2 4.25Å; W24-W36 AromaticContact CZ3-CZ2 3.76Å; W24-W36 HydrophobicContact CZ3-CZ2 3.76Å; W24-F40 HydrophobicContact CB-CE2 4.44Å; W24-H87 HydrophobicContact CH2-CB 4.08Å; W24-H87 AromaticContact CH2-CD2 3.86Å; W24-H87 AromaticContact CH2-CG 3.71Å; W24-H87 AromaticContact CZ2-CD2 3.76Å; W24-H87 PolarHBondContact O-CE1 3.33Å; W24-H87 PolarHBondContact O-NE2 2.83Å; W24-T222 HydrophobicContact CH2-CG2 3.44Å; W24-T222 VanDerWaalsContact CH2-CG2 3.44Å; W24-T222 HydrophobicContact CZ2-CG2 4.04Å; W24-T222 HydrophobicContact CZ3-CG2 4.23Å; W24-P223 HydrophobicContact CB-CG 4.43Å; W24-P223 HydrophobicContact CD2-CB 4.38Å; W24-P223 HydrophobicContact CD2-CG 3.82Å; W24-P223 HydrophobicContact CE3-CG 4.29Å; W24-P223 HydrophobicContact CG-CB 4.19Å; W24-P223 HydrophobicContact CG-CG 3.85Å | ||
| 25 | T | 56 | Low | 49.5 | Very low | 35 Ų | 35 | 95.1 Ų | 95.1 | 22% | 0.215 | 52% | 0.522 | C | S | . | . | trans | -137.1 | 158.7 | 176.3 | 66.2 | 0 | 0 | 0 | 0 | 111 | K28 G29 | T25-K28 PolarHBondContact OG1-O 3.3Å; T25-G29 WeakPolarHBondContact OG1-CA 3.3Å; T25-G29 PolarHBondContact OG1-N 3.46Å; T25-G29 PolarHBondContact OG1-O 2.98Å; T25-G29 VanDerWaalsContact OG1-O 3.07Å | ||
| 26 | Q | 52.7 | Low | 52.7 | Low | 27 Ų | 27 | 87.6 Ų | 87.6 | 13% | 0.126 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -87.3 | -25.7 | -177.9 | -68.7 | 168.5 | -16.4 | 0 | 0 | 113.3 | W24 W36 D267 N268 | W24-Q26 HydrophobicContact CZ3-CG 3.95Å; Q26-W36 HydrophobicContact CG-CZ2 4.3Å; Q26-D267 PolarHBondContact OE1-O 3Å; Q26-N268 VanDerWaalsContact NE2-C 3.29Å; Q26-N268 PolarHBondContact NE2-O 3.07Å; Q26-N268 PolarHBondContact OE1-O 3.05Å |
| 27 | S | 48.3 | Very low | 56 | Low | 61 Ų | 61 | 83.1 Ų | 83.1 | 43% | 0.427 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -132 | -10.1 | -169.1 | 59.7 | 0 | 0 | 0 | 0 | 116.5 | ||
| 28 | K | 43.3 | Very low | 59.1 | Low | 174 Ų | 174 | 82.1 Ų | 82.1 | 76% | 0.757 | 46% | 0.459 | S | S | * | . | S | Bend | trans | 177.4 | 114 | 165.4 | -104.3 | 157.6 | -172.1 | -172.1 | 0 | 112.5 | T25 M263 | T25-K28 PolarHBondContact OG1-O 3.3Å; K28-M263 HydrophobicContact CB-CE 4.01Å |
| 29 | G | 40 | Very low | 62.3 | Low | 41 Ų | 41 | 81.2 Ų | 81.2 | 42% | 0.423 | 44% | 0.444 | S | S | . | . | S | Bend | trans | 146.5 | 116.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T25 A31 | T25-G29 WeakPolarHBondContact OG1-CA 3.3Å; T25-G29 PolarHBondContact OG1-N 3.46Å; T25-G29 PolarHBondContact OG1-O 2.98Å; T25-G29 VanDerWaalsContact OG1-O 3.07Å; G29-A31 PolarHBondContact O-N 2.78Å |
| 30 | I | 46.1 | Very low | 65.4 | Low | 145 Ų | 145 | 77.6 Ų | 77.6 | 74% | 0.744 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 46.8 | -40.2 | -176.4 | -55.4 | 169.3 | 0 | 0 | 0 | 118.4 | ||
| 31 | A | 59.9 | Low | 68.6 | Low | 5 Ų | 5 | 74.6 Ų | 74.6 | 4% | 0.041 | 41% | 0.411 | C | S | . | . | trans | -151.3 | 112.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | G29 E35 Y39 | G29-A31 PolarHBondContact O-N 2.78Å; A31-E35 VanDerWaalsContact CA-OE2 3.25Å; A31-E35 WeakPolarHBondContact CA-OE2 3.27Å; A31-E35 HydrophobicContact CB-CB 3.95Å; A31-Y39 HydrophobicContact CB-CD2 3.65Å; A31-Y39 HydrophobicContact CB-CE2 3.54Å | ||
| 32 | G | 78.3 | Confident | 71.4 | Confident | 25 Ų | 25 | 72.4 Ų | 72.4 | 26% | 0.258 | 39% | 0.39 | S | S | . | . | trans | -67.3 | 169.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S34 E35 W36 | G32-S34 PolarHBondContact O-N 3.47Å; G32-E35 PolarHBondContact N-OE2 3.38Å; G32-E35 WeakPolarHBondContact O-CA 3.45Å; G32-E35 WeakPolarHBondContact O-CB 3.34Å; G32-E35 PolarHBondContact O-N 3.1Å; G32-W36 PolarHBondContact O-N 3.39Å | ||
| 33 | Q | 90.4 | Very high | 74 | Confident | 37 Ų | 37 | 67.9 Ų | 67.9 | 17% | 0.173 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -30.3 | -178 | -54.5 | -178 | 17.2 | 0 | 0 | 114.1 | E35 W36 F269 R270 I271 | Q33-E35 PolarHBondContact O-N 3.23Å; Q33-W36 HydrophobicContact CB-CD2 4.27Å; Q33-W36 HydrophobicContact CB-CE3 4.47Å; Q33-W36 HydrophobicContact CB-CH2 4.49Å; Q33-W36 HydrophobicContact CB-CZ2 4.3Å; Q33-W36 HydrophobicContact CG-CH2 3.91Å; Q33-W36 HydrophobicContact CG-CZ2 3.68Å; Q33-W36 HydrophobicContact CG-CZ3 4.43Å; Q33-F269 PolarHBondContact NE2-O 3.33Å; Q33-R270 VanDerWaalsContact OE1-CA 3.22Å; Q33-I271 VanDerWaalsContact OE1-N 3.1Å |
| 34 | S | 88.9 | Confident | 76.3 | Confident | 104 Ų | 104 | 63.8 Ų | 63.8 | 73% | 0.727 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -21.2 | 176.1 | 50.4 | 0 | 0 | 0 | 0 | 114 | G32 | G32-S34 PolarHBondContact O-N 3.47Š|
| 35 | E | 90.8 | Very high | 78.4 | Confident | 80 Ų | 80 | 63.3 Ų | 63.3 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -6.6 | -176.5 | -62.9 | 166.1 | 151.8 | 0 | 0 | 111.3 | A31 G32 Q33 S37 E38 Y39 | A31-E35 VanDerWaalsContact CA-OE2 3.25Å; A31-E35 WeakPolarHBondContact CA-OE2 3.27Å; A31-E35 HydrophobicContact CB-CB 3.95Å; G32-E35 PolarHBondContact N-OE2 3.38Å; G32-E35 WeakPolarHBondContact O-CA 3.45Å; G32-E35 WeakPolarHBondContact O-CB 3.34Å; G32-E35 PolarHBondContact O-N 3.1Å; Q33-E35 PolarHBondContact O-N 3.23Å; E35-S37 PolarHBondContact O-N 3.41Å; E35-S37 VanDerWaalsContact O-N 3.15Å; E35-E38 WeakPolarHBondContact O-CB 3.49Å; E35-E38 PolarHBondContact O-N 3.44Å; E35-Y39 WeakPolarHBondContact O-CD2 3.22Å |
| 36 | W | 94.1 | Very high | 80.4 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 0% | 0.004 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.6 | -36 | -177.6 | -74 | -2.8 | 0 | 0 | 0 | 113.3 | W24 Q26 G32 Q33 E38 Y39 F40 C43 T221 P223 R270 | W24-W36 HydrophobicContact CE3-CH2 4.49Å; W24-W36 AromaticContact CE3-CZ2 3.65Å; W24-W36 HydrophobicContact CE3-CZ2 3.65Å; W24-W36 HydrophobicContact CZ3-CH2 4.25Å; W24-W36 AromaticContact CZ3-CZ2 3.76Å; W24-W36 HydrophobicContact CZ3-CZ2 3.76Å; Q26-W36 HydrophobicContact CG-CZ2 4.3Å; G32-W36 PolarHBondContact O-N 3.39Å; Q33-W36 HydrophobicContact CB-CD2 4.27Å; Q33-W36 HydrophobicContact CB-CE3 4.47Å; Q33-W36 HydrophobicContact CB-CH2 4.49Å; Q33-W36 HydrophobicContact CB-CZ2 4.3Å; Q33-W36 HydrophobicContact CG-CH2 3.91Å; Q33-W36 HydrophobicContact CG-CZ2 3.68Å; Q33-W36 HydrophobicContact CG-CZ3 4.43Å; W36-E38 PolarHBondContact O-N 3.39Å; W36-Y39 PolarHBondContact O-N 2.92Å; W36-F40 WeakPolarHBondContact O-CA 3.37Å; W36-F40 WeakPolarHBondContact O-CB 3.32Å; W36-F40 PolarHBondContact O-N 2.92Å; W36-C43 HydrophobicContact CB-CB 3.92Å; W36-T221 WeakPolarHBondContact CZ3-O 3.29Å; W36-P223 HydrophobicContact CB-CG 4.44Å; W36-P223 HydrophobicContact CD2-CG 3.54Å; W36-P223 HydrophobicContact CE3-CG 3.89Å; W36-P223 HydrophobicContact CG-CG 3.82Å; W36-P223 HydrophobicContact CZ2-CG 4.23Å; W36-P223 HydrophobicContact CZ3-CG 4.37Å; W36-R270 HydrophobicContact CH2-CG 4.33Å; W36-R270 HydrophobicContact CZ3-CB 4.4Å; W36-R270 HydrophobicContact CZ3-CG 3.8Å |
| 37 | S | 94.2 | Very high | 82.5 | Confident | 57 Ų | 57 | 65.6 Ų | 65.6 | 40% | 0.399 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.4 | -19.2 | 178.8 | 52.1 | 0 | 0 | 0 | 0 | 114 | E35 F40 | E35-S37 PolarHBondContact O-N 3.41Å; E35-S37 VanDerWaalsContact O-N 3.15Å; S37-F40 WeakPolarHBondContact CA-O 3.49Å |
| 38 | E | 92.9 | Very high | 84.9 | Confident | 141 Ų | 141 | 62.9 Ų | 62.9 | 66% | 0.659 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -73.2 | -35.1 | 176.5 | -58 | -175.3 | -177.1 | 0 | 0 | 111.5 | E35 W36 | E35-E38 WeakPolarHBondContact O-CB 3.49Å; E35-E38 PolarHBondContact O-N 3.44Å; W36-E38 PolarHBondContact O-N 3.39Å |
| 39 | Y | 92.1 | Very high | 87.5 | Confident | 96 Ų | 96 | 54.6 Ų | 54.6 | 38% | 0.376 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -99.5 | -31.4 | -178.1 | -59.5 | -88 | 0 | 0 | 0 | 112.6 | A31 E35 W36 | A31-Y39 HydrophobicContact CB-CD2 3.65Å; A31-Y39 HydrophobicContact CB-CE2 3.54Å; E35-Y39 WeakPolarHBondContact O-CD2 3.22Å; W36-Y39 PolarHBondContact O-N 2.92Å |
| 40 | F | 95 | Very high | 90.3 | Very high | 39 Ų | 39 | 52.6 Ų | 52.6 | 17% | 0.171 | 32% | 0.316 | C | S | . | . | trans | -126.9 | 88.1 | -178.1 | -54.5 | -83.7 | 0 | 0 | 0 | 108.7 | W24 W36 S37 D42 C43 P223 P224 | W24-F40 HydrophobicContact CB-CE2 4.44Å; W36-F40 WeakPolarHBondContact O-CA 3.37Å; W36-F40 WeakPolarHBondContact O-CB 3.32Å; W36-F40 PolarHBondContact O-N 2.92Å; S37-F40 WeakPolarHBondContact CA-O 3.49Å; F40-D42 PolarHBondContact O-N 2.94Å; F40-C43 HydrophobicContact CB-CB 4.47Å; F40-C43 VanDerWaalsContact O-CB 3.24Å; F40-C43 WeakPolarHBondContact O-CB 3.47Å; F40-C43 PolarHBondContact O-N 3.34Å; F40-P223 HydrophobicContact CB-CB 4.44Å; F40-P223 HydrophobicContact CD1-CB 4.03Å; F40-P223 HydrophobicContact CD2-CB 3.58Å; F40-P223 HydrophobicContact CD2-CG 3.99Å; F40-P223 HydrophobicContact CE1-CB 4.12Å; F40-P223 HydrophobicContact CE2-CB 3.69Å; F40-P223 HydrophobicContact CE2-CG 4.13Å; F40-P223 HydrophobicContact CG-CB 3.75Å; F40-P223 HydrophobicContact CZ-CB 3.96Å; F40-P224 HydrophobicContact CD1-CB 3.99Å; F40-P224 HydrophobicContact CD1-CG 4.26Å | ||
| 41 | P | 95.8 | Very high | 92.9 | Very high | 103 Ų | 103 | 45.7 Ų | 45.7 | 67% | 0.669 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -54.2 | -33.3 | -171.3 | -30.5 | 36.4 | 0 | 0 | 0 | 114.9 | C43 G44 | P41-C43 PolarHBondContact O-N 2.88Å; P41-G44 PolarHBondContact O-N 2.93Å |
| 42 | D | 96.6 | Very high | 94.7 | Very high | 70 Ų | 70 | 47.4 Ų | 47.4 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -61.2 | -25.5 | 176.6 | -78.6 | -45.1 | 0 | 0 | 0 | 112.9 | F40 G44 G45 Q48 P224 Y226 | F40-D42 PolarHBondContact O-N 2.94Å; D42-G44 PolarHBondContact O-N 3.49Å; D42-G45 PolarHBondContact O-N 3.32Å; D42-Q48 VanDerWaalsContact O-CD 3.26Å; D42-Q48 PolarHBondContact O-NE2 3.37Å; D42-P224 VanDerWaalsContact CB-O 3.27Å; D42-P224 WeakPolarHBondContact CB-O 3.17Å; D42-Y226 HydrophobicContact CB-CD1 4.49Å; D42-Y226 VanDerWaalsContact OD2-CD1 3.26Å; D42-Y226 WeakPolarHBondContact OD2-CD1 3.29Å; D42-Y226 VanDerWaalsContact OD2-CE1 3.28Å; D42-Y226 WeakPolarHBondContact OD2-CE1 3.39Å |
| 43 | C | 97.5 | Very high | 95.7 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -64.4 | -19.8 | 173.6 | -62.3 | 0 | 0 | 0 | 0 | 113.2 | W36 F40 P41 Q48 C225 R270 | W36-C43 HydrophobicContact CB-CB 3.92Å; F40-C43 HydrophobicContact CB-CB 4.47Å; F40-C43 VanDerWaalsContact O-CB 3.24Å; F40-C43 WeakPolarHBondContact O-CB 3.47Å; F40-C43 PolarHBondContact O-N 3.34Å; P41-C43 PolarHBondContact O-N 2.88Å; C43-Q48 PolarHBondContact O-OE1 3.36Å; C43-C225 VanDerWaalsContact CA-CB 3.44Å; C43-C225 VanDerWaalsContact CA-SG 3.55Å; C43-C225 HydrophobicContact CB-CB 3.71Å; C43-C225 WeakPolarHBondContact CB-SG 3.33Å; C43-C225 WeakPolarHBondContact SG-CB 3.2Å; C43-C225 CovalentContact SG-SG 2.04Å; C43-C225 PolarHBondContact SG-SG 3.37Å; C43-R270 PolarHBondContact O-NH2 3.12Å; C43-R270 VanDerWaalsContact O-NH2 3.09Å |
| 44 | G | 96.8 | Very high | 96 | Very high | 57 Ų | 57 | 47.2 Ų | 47.2 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -90.3 | 9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P41 D42 | P41-G44 PolarHBondContact O-N 2.93Å; D42-G44 PolarHBondContact O-N 3.49Å |
| 45 | G | 96.7 | Very high | 96.4 | Very high | 25 Ų | 25 | 43.6 Ų | 43.6 | 26% | 0.258 | 26% | 0.257 | S | S | . | . | trans | -65.9 | 164.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D42 Q48 Q227 | D42-G45 PolarHBondContact O-N 3.32Å; G45-Q48 WeakPolarHBondContact O-CG 3.41Å; G45-Q227 VanDerWaalsContact C-OE1 3.31Å | ||
| 46 | S | 97.2 | Very high | 96.6 | Very high | 75 Ų | 75 | 45.7 Ų | 45.7 | 52% | 0.524 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -7.7 | -177.6 | 63.7 | 0 | 0 | 0 | 0 | 114.8 | Q227 N276 | S46-Q227 VanDerWaalsContact N-OE1 3.17Å; S46-N276 PolarHBondContact O-ND2 3.47Å |
| 47 | S | 97.7 | Very high | 96.7 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 39.1 | -175.6 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | G218 S219 R278 | S47-G218 CarbonylContact O-C 3.47Å; S47-G218 VanDerWaalsContact O-C 3.24Å; S47-G218 VanDerWaalsContact O-CA 3.27Å; S47-G218 WeakPolarHBondContact O-CA 3.49Å; S47-S219 PolarHBondContact O-N 3.23Å; S47-R278 PolarHBondContact O-NH1 3.45Å |
| 48 | Q | 98.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | trans | -77 | 158.7 | -176.6 | -67.7 | -70.4 | -66 | 0 | 0 | 113 | D42 C43 G45 S219 C225 R270 Q273 R278 | D42-Q48 VanDerWaalsContact O-CD 3.26Å; D42-Q48 PolarHBondContact O-NE2 3.37Å; C43-Q48 PolarHBondContact O-OE1 3.36Å; G45-Q48 WeakPolarHBondContact O-CG 3.41Å; Q48-S219 WeakPolarHBondContact CA-OG 3.23Å; Q48-S219 PolarHBondContact OE1-OG 2.86Å; Q48-C225 PolarHBondContact NE2-O 3.06Å; Q48-R270 VanDerWaalsContact OE1-NH2 3.12Å; Q48-Q273 HydrophobicContact CB-CB 3.84Å; Q48-Q273 HydrophobicContact CB-CG 3.8Å; Q48-R278 VanDerWaalsContact O-CZ 3.3Å; Q48-R278 PolarHBondContact O-NH1 2.74Å; Q48-R278 PolarHBondContact O-NH2 3Å | ||
| 49 | S | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -124.3 | 157.3 | 175 | -67.6 | 0 | 0 | 0 | 0 | 109.9 | Y216 G218 S219 W231 R270 | S49-Y216 WeakPolarHBondContact CB-OH 3.46Å; S49-Y216 WeakPolarHBondContact OG-CE2 3.16Å; S49-Y216 PolarHBondContact OG-OH 2.88Å; S49-G218 VanDerWaalsContact OG-CA 3.32Å; S49-G218 WeakPolarHBondContact OG-CA 3.37Å; S49-S219 WeakPolarHBondContact CB-O 3.24Å; S49-S219 PolarHBondContact N-OG 2.89Å; S49-S219 PolarHBondContact OG-N 2.88Å; S49-W231 PolarHBondContact OG-NE1 3.27Å; S49-R270 WeakPolarHBondContact O-CD 3.43Å; S49-R270 PolarHBondContact O-NH1 2.97Å |
| 50 | P | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | cis | -77.1 | 174.5 | -0.8 | 34.1 | -38.1 | 0 | 0 | 0 | 112.4 | E126 T221 R270 Q273 | P50-E126 VanDerWaalsContact CB-C 3.43Å; P50-E126 HydrophobicContact CB-CB 3.84Å; P50-E126 WeakPolarHBondContact CB-O 3.29Å; P50-E126 HydrophobicContact CG-CB 3.73Å; P50-E126 HydrophobicContact CG-CG 4.46Å; P50-E126 WeakPolarHBondContact CG-O 3.41Å; P50-T221 HydrophobicContact CB-CG2 4.45Å; P50-R270 HydrophobicContact CG-CB 4.46Å; P50-R270 WeakPolarHBondContact CG-O 3.26Å; P50-Q273 WeakPolarHBondContact O-CB 3.47Å; P50-Q273 PolarHBondContact O-N 2.94Å | ||
| 51 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -131.5 | 158.4 | 176.3 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | Y216 L275 I280 | V51-Y216 HydrophobicContact CG1-CE2 4.14Å; V51-Y216 HydrophobicContact CG2-CD1 4.44Å; V51-Y216 HydrophobicContact CG2-CD2 4.45Å; V51-Y216 HydrophobicContact CG2-CE1 3.93Å; V51-Y216 HydrophobicContact CG2-CE2 3.97Å; V51-L275 HydrophobicContact CB-CD1 4.42Å; V51-L275 HydrophobicContact CG1-CD1 4.23Å; V51-L275 HydrophobicContact CG2-CD1 4.46Å; V51-I280 HydrophobicContact CG2-CD1 3.81Å | ||
| 52 | D | 98.7 | Very high | 97.5 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 21% | 0.214 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 122.1 | 165 | -176.3 | 38.8 | 0 | 0 | 0 | 110.5 | I54 T128 N130 G131 | D52-I54 PolarHBondContact O-N 3.43Å; D52-I54 WeakPolarHBondContact OD2-CG1 3.33Å; D52-T128 WeakPolarHBondContact CA-OG1 3.41Å; D52-T128 VanDerWaalsContact CB-OG1 3.24Å; D52-T128 WeakPolarHBondContact CB-OG1 3.49Å; D52-T128 VanDerWaalsContact OD1-C 3.3Å; D52-T128 WeakPolarHBondContact OD1-CB 3.49Å; D52-T128 PolarHBondContact OD1-OG1 3.19Å; D52-N130 PolarHBondContact OD1-N 2.82Å; D52-G131 VanDerWaalsContact CG-N 3.31Å; D52-G131 PolarHBondContact OD1-N 3.02Å; D52-G131 PolarHBondContact OD2-N 3.1Å; D52-G131 VanDerWaalsContact OD2-N 3.14Å |
| 53 | V | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 92.8 | 174.1 | -175.2 | 0 | 0 | 0 | 0 | 109 | T55 T58 T128 I129 N130 Y214 I280 | V53-T55 PolarHBondContact O-N 3.45Å; V53-T55 VanDerWaalsContact O-N 3.14Å; V53-T58 HydrophobicContact CG1-CG2 3.9Å; V53-T128 PolarHBondContact N-O 3.36Å; V53-I129 HydrophobicContact CB-CG1 4.31Å; V53-N130 PolarHBondContact O-N 3.27Å; V53-Y214 HydrophobicContact CG1-CD1 3.8Å; V53-Y214 HydrophobicContact CG1-CD2 3.82Å; V53-Y214 HydrophobicContact CG1-CE1 3.92Å; V53-Y214 HydrophobicContact CG1-CE2 3.92Å; V53-Y214 HydrophobicContact CG1-CG 3.73Å; V53-I280 HydrophobicContact CB-CD1 4.45Å; V53-I280 HydrophobicContact CG1-CD1 4.44Å; V53-I280 HydrophobicContact CG1-CG2 4.34Å; V53-I280 HydrophobicContact CG2-CD1 4.14Å |
| 54 | I | 97.8 | Very high | 97.4 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 29% | 0.292 | 31% | 0.307 | S | S | . | . | trans | -77.9 | 98.3 | 172.5 | -53.9 | 175 | 0 | 0 | 0 | 108.5 | D52 T56 Q57 T58 | D52-I54 PolarHBondContact O-N 3.43Å; D52-I54 WeakPolarHBondContact OD2-CG1 3.33Å; I54-T56 PolarHBondContact O-N 3.44Å; I54-T56 VanDerWaalsContact O-N 3.12Å; I54-Q57 HydrophobicContact CB-CB 4.32Å; I54-Q57 HydrophobicContact CB-CG 4.21Å; I54-Q57 HydrophobicContact CG2-CB 4.33Å; I54-Q57 HydrophobicContact CG2-CG 3.8Å; I54-Q57 PolarHBondContact O-N 3.3Å; I54-T58 PolarHBondContact O-N 3.39Å | ||
| 55 | T | 96.3 | Very high | 97.3 | Very high | 29 Ų | 29 | 53.3 Ų | 53.3 | 18% | 0.178 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -56.7 | -33.9 | -169.8 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | V53 Q57 T58 I129 N130 Y214 | V53-T55 PolarHBondContact O-N 3.45Å; V53-T55 VanDerWaalsContact O-N 3.14Å; T55-Q57 PolarHBondContact O-N 3.5Å; T55-T58 PolarHBondContact O-N 2.91Å; T55-T58 PolarHBondContact O-OG1 3.48Å; T55-I129 HydrophobicContact CG2-CG2 3.62Å; T55-N130 WeakPolarHBondContact CG2-ND2 3.26Å; T55-N130 PolarHBondContact N-OD1 2.95Å; T55-N130 PolarHBondContact OG1-ND2 3.06Å; T55-N130 PolarHBondContact OG1-OD1 2.92Å; T55-Y214 VanDerWaalsContact CG2-OH 3.29Å; T55-Y214 WeakPolarHBondContact CG2-OH 3.48Å |
| 56 | T | 95.7 | Very high | 97.2 | Very high | 123 Ų | 123 | 55.6 Ų | 55.6 | 76% | 0.755 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -71.5 | -16.1 | 177.5 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | I54 | I54-T56 PolarHBondContact O-N 3.44Å; I54-T56 VanDerWaalsContact O-N 3.12Å |
| 57 | Q | 96.3 | Very high | 97.1 | Very high | 124 Ų | 124 | 52.2 Ų | 52.2 | 58% | 0.579 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -101.5 | -5.5 | 177.8 | -60 | -178.9 | 21.1 | 0 | 0 | 112.7 | I54 T55 | I54-Q57 HydrophobicContact CB-CB 4.32Å; I54-Q57 HydrophobicContact CB-CG 4.21Å; I54-Q57 HydrophobicContact CG2-CB 4.33Å; I54-Q57 HydrophobicContact CG2-CG 3.8Å; I54-Q57 PolarHBondContact O-N 3.3Å; T55-Q57 PolarHBondContact O-N 3.5Å |
| 58 | T | 97.8 | Very high | 97 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | trans | -69.6 | 147.7 | 176.2 | 65.3 | 0 | 0 | 0 | 0 | 111 | V53 I54 T55 Y214 I280 | V53-T58 HydrophobicContact CG1-CG2 3.9Å; I54-T58 PolarHBondContact O-N 3.39Å; T55-T58 PolarHBondContact O-N 2.91Å; T55-T58 PolarHBondContact O-OG1 3.48Å; T58-Y214 HydrophobicContact CG2-CD1 3.88Å; T58-Y214 HydrophobicContact CG2-CE1 3.9Å; T58-I280 VanDerWaalsContact CA-O 3.29Å; T58-I280 WeakPolarHBondContact CA-O 3.47Å; T58-I280 HydrophobicContact CG2-CB 4.25Å; T58-I280 HydrophobicContact CG2-CG2 4.08Å | ||
| 59 | K | 97.9 | Very high | 97 | Very high | 121 Ų | 121 | 54.7 Ų | 54.7 | 53% | 0.526 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 123.1 | 175 | -65.2 | -166.1 | -173.5 | 176.4 | 0 | 110 | D61 V279 I280 F281 A282 | K59-D61 PolarHBondContact O-N 2.96Å; K59-V279 HydrophobicContact CB-CG1 4.11Å; K59-V279 HydrophobicContact CD-CG1 3.8Å; K59-V279 HydrophobicContact CG-CG1 3.81Å; K59-I280 PolarHBondContact N-O 3.29Å; K59-F281 HydrophobicContact CB-CD1 4.09Å; K59-F281 HydrophobicContact CB-CE1 4.39Å; K59-F281 CarbonylContact O-C 3.55Å; K59-F281 WeakPolarHBondContact O-CA 3.1Å; K59-A282 PolarHBondContact O-N 2.91Å |
| 60 | Y | 97.8 | Very high | 96.9 | Very high | 126 Ų | 126 | 57.8 Ų | 57.8 | 49% | 0.494 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 128.5 | 171.3 | 174.3 | -125.7 | 0 | 0 | 0 | 109.8 | P62 A282 F284 | Y60-P62 HydrophobicContact CE1-CB 3.96Å; Y60-P62 HydrophobicContact CE1-CG 4.46Å; Y60-A282 WeakPolarHBondContact CA-O 3.42Å; Y60-A282 WeakPolarHBondContact CD2-O 3.33Å; Y60-F284 WeakPolarHBondContact CD2-O 3.32Å |
| 61 | D | 97.3 | Very high | 96.8 | Very high | 38 Ų | 38 | 58.5 Ų | 58.5 | 20% | 0.203 | 33% | 0.327 | C | S | . | . | trans | -122.1 | 107.1 | 174.3 | -176 | -12.7 | 0 | 0 | 0 | 109.2 | K59 S63 L64 F281 A282 | K59-D61 PolarHBondContact O-N 2.96Å; D61-S63 VanDerWaalsContact CG-OG 3.27Å; D61-S63 PolarHBondContact O-N 3.4Å; D61-S63 VanDerWaalsContact OD1-CB 3.3Å; D61-S63 WeakPolarHBondContact OD1-CB 3.47Å; D61-S63 PolarHBondContact OD1-N 3.34Å; D61-S63 PolarHBondContact OD1-OG 3.37Å; D61-S63 PolarHBondContact OD2-OG 3.08Å; D61-L64 HydrophobicContact CB-CD1 3.92Å; D61-L64 HydrophobicContact CB-CG 3.89Å; D61-L64 WeakPolarHBondContact O-CB 3.39Å; D61-L64 PolarHBondContact O-N 2.93Å; D61-F281 HydrophobicContact CB-CB 4.2Å; D61-F281 HydrophobicContact CB-CD1 3.92Å; D61-F281 HydrophobicContact CB-CG 4.38Å; D61-A282 PolarHBondContact N-O 3.43Å | ||
| 62 | P | 95.5 | Very high | 96.7 | Very high | 99 Ų | 99 | 58.6 Ų | 58.6 | 64% | 0.643 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -10.7 | -179 | 30 | -35.5 | 0 | 0 | 0 | 113.6 | Y60 L64 | Y60-P62 HydrophobicContact CE1-CB 3.96Å; Y60-P62 HydrophobicContact CE1-CG 4.46Å; P62-L64 VanDerWaalsContact C-N 3.32Å |
| 63 | S | 96 | Very high | 96.5 | Very high | 84 Ų | 84 | 59.7 Ų | 59.7 | 59% | 0.587 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -13.9 | 176 | 75.4 | 0 | 0 | 0 | 0 | 113.1 | D61 V65 | D61-S63 VanDerWaalsContact CG-OG 3.27Å; D61-S63 PolarHBondContact O-N 3.4Å; D61-S63 VanDerWaalsContact OD1-CB 3.3Å; D61-S63 WeakPolarHBondContact OD1-CB 3.47Å; D61-S63 PolarHBondContact OD1-N 3.34Å; D61-S63 PolarHBondContact OD1-OG 3.37Å; D61-S63 PolarHBondContact OD2-OG 3.08Å; S63-V65 PolarHBondContact O-N 2.96Å; S63-V65 VanDerWaalsContact O-N 3.07Å |
| 64 | L | 96.9 | Very high | 96.2 | Very high | 26 Ų | 26 | 65 Ų | 65 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | trans | -72.6 | 99.6 | 176.3 | -69.6 | -178.4 | 0 | 0 | 0 | 110.8 | D61 P62 Y213 R215 F281 | D61-L64 HydrophobicContact CB-CD1 3.92Å; D61-L64 HydrophobicContact CB-CG 3.89Å; D61-L64 WeakPolarHBondContact O-CB 3.39Å; D61-L64 PolarHBondContact O-N 2.93Å; P62-L64 VanDerWaalsContact C-N 3.32Å; L64-Y213 HydrophobicContact CB-CE2 4.38Å; L64-Y213 WeakPolarHBondContact CB-OH 3.32Å; L64-Y213 HydrophobicContact CD1-CE2 4.11Å; L64-Y213 HydrophobicContact CD2-CE2 4.44Å; L64-R215 HydrophobicContact CD1-CB 3.96Å; L64-R215 HydrophobicContact CD2-CB 4.35Å; L64-R215 HydrophobicContact CD2-CG 4.21Å; L64-F281 HydrophobicContact CD1-CB 3.81Å | ||
| 65 | V | 94.4 | Very high | 95.2 | Very high | 82 Ų | 82 | 67.7 Ų | 67.7 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 156.9 | 172.4 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | S63 V67 Y213 | S63-V65 PolarHBondContact O-N 2.96Å; S63-V65 VanDerWaalsContact O-N 3.07Å; V65-V67 PolarHBondContact O-N 3.47Å; V65-Y213 WeakPolarHBondContact O-CE1 3.34Å; V65-Y213 PolarHBondContact O-OH 3.22Å |
| 66 | P | 93.8 | Very high | 94.3 | Very high | 72 Ų | 72 | 67.8 Ų | 67.8 | 47% | 0.468 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 138.2 | 171.3 | -26.1 | 35.2 | 0 | 0 | 0 | 111.8 | ||
| 67 | V | 94.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.024 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 145.3 | 170 | -65.6 | 0 | 0 | 0 | 0 | 109.5 | V65 P69 L99 L102 L164 L210 Y213 T232 F234 | V65-V67 PolarHBondContact O-N 3.47Å; V67-P69 WeakPolarHBondContact O-CD 3.44Å; V67-L99 HydrophobicContact CB-CD1 4.07Å; V67-L102 HydrophobicContact CG1-CD1 4.38Å; V67-L164 HydrophobicContact CG2-CD2 4.44Å; V67-L210 HydrophobicContact CG2-CB 4.34Å; V67-Y213 HydrophobicContact CG1-CE1 4.41Å; V67-T232 HydrophobicContact CG1-CG2 3.96Å; V67-F234 HydrophobicContact CG2-CE1 3.7Å; V67-F234 HydrophobicContact CG2-CZ 3.57Å |
| 68 | T | 97.1 | Very high | 93.4 | Very high | 70 Ų | 70 | 70.8 Ų | 70.8 | 43% | 0.429 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 98.4 | -175.7 | -55.1 | 0 | 0 | 0 | 0 | 109.1 | L70 G100 | T68-L70 HydrophobicContact CG2-CD2 3.87Å; T68-L70 PolarHBondContact O-N 3.23Å; T68-G100 PolarHBondContact N-O 2.59Å; T68-G100 PolarHBondContact O-N 2.85Å |
| 69 | P | 97.7 | Very high | 93.2 | Very high | 21 Ų | 21 | 72.2 Ų | 72.2 | 14% | 0.136 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 129.2 | 171 | -18.1 | 31.2 | 0 | 0 | 0 | 110.1 | V67 Y72 L206 L210 | V67-P69 WeakPolarHBondContact O-CD 3.44Å; P69-Y72 HydrophobicContact CB-CD1 3.87Å; P69-Y72 HydrophobicContact CB-CD2 3.74Å; P69-Y72 HydrophobicContact CB-CE1 4.28Å; P69-Y72 HydrophobicContact CB-CE2 4.18Å; P69-Y72 HydrophobicContact CB-CG 3.57Å; P69-L206 HydrophobicContact CB-CD1 4.33Å; P69-L206 HydrophobicContact CG-CD1 3.69Å; P69-L210 HydrophobicContact CG-CD1 3.73Å |
| 70 | L | 97.3 | Very high | 93.2 | Very high | 64 Ų | 64 | 67 Ų | 67 | 34% | 0.335 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.2 | -176.7 | -60 | 171.1 | 0 | 0 | 0 | 108.8 | T68 Y72 M97 G98 F105 | T68-L70 HydrophobicContact CG2-CD2 3.87Å; T68-L70 PolarHBondContact O-N 3.23Å; L70-Y72 WeakPolarHBondContact O-CD1 3.26Å; L70-Y72 PolarHBondContact O-N 3.45Å; L70-M97 WeakPolarHBondContact O-CA 3.25Å; L70-G98 PolarHBondContact N-O 3.18Å; L70-G98 PolarHBondContact O-N 3.19Å; L70-F105 HydrophobicContact CD1-CD2 3.77Å; L70-F105 HydrophobicContact CD1-CE2 3.48Å; L70-F105 VanDerWaalsContact CD1-CE2 3.48Å |
| 71 | G | 96.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 17% | 0.165 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 77.8 | -8.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S73 Q74 W96 | G71-S73 PolarHBondContact O-N 3.46Å; G71-S73 VanDerWaalsContact O-N 3.09Å; G71-Q74 VanDerWaalsContact O-CB 3.31Å; G71-Q74 WeakPolarHBondContact O-CB 3.19Å; G71-Q74 PolarHBondContact O-N 3.49Å; G71-W96 WeakPolarHBondContact O-CZ3 3.45Å |
| 72 | Y | 97.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -32.2 | -172.5 | -86 | 42.5 | 0 | 0 | 0 | 115 | P69 L70 Q74 M97 G98 V140 H142 D201 V202 L206 | P69-Y72 HydrophobicContact CB-CD1 3.87Å; P69-Y72 HydrophobicContact CB-CD2 3.74Å; P69-Y72 HydrophobicContact CB-CE1 4.28Å; P69-Y72 HydrophobicContact CB-CE2 4.18Å; P69-Y72 HydrophobicContact CB-CG 3.57Å; L70-Y72 WeakPolarHBondContact O-CD1 3.26Å; L70-Y72 PolarHBondContact O-N 3.45Å; Y72-Q74 VanDerWaalsContact C-N 3.27Å; Y72-Q74 PolarHBondContact O-N 3.01Å; Y72-M97 HydrophobicContact CD1-CB 4.19Å; Y72-M97 HydrophobicContact CD1-CG 4.35Å; Y72-M97 HydrophobicContact CD1-SD 4.28Å; Y72-M97 HydrophobicContact CE1-CB 4.16Å; Y72-G98 WeakPolarHBondContact CE1-O 2.92Å; Y72-V140 HydrophobicContact CE2-CG1 4.32Å; Y72-V140 WeakPolarHBondContact OH-CG1 3.48Å; Y72-H142 AromaticContact CZ-NE2 3.72Å; Y72-H142 PolarHBondContact OH-CE1 2.92Å; Y72-H142 PolarHBondContact OH-NE2 3Å; Y72-D201 CarbonylContact O-C 3.49Å; Y72-V202 HydrophobicContact CD2-CB 3.88Å; Y72-V202 HydrophobicContact CD2-CG1 3.58Å; Y72-V202 HydrophobicContact CE2-CB 4.45Å; Y72-V202 HydrophobicContact CE2-CG1 3.7Å; Y72-V202 HydrophobicContact CG-CB 4.21Å; Y72-V202 HydrophobicContact CG-CG1 4.32Å; Y72-V202 PolarHBondContact O-N 3.31Å; Y72-L206 HydrophobicContact CD2-CD1 3.94Å; Y72-L206 HydrophobicContact CE2-CD1 4.07Å |
| 73 | S | 94.4 | Very high | 93.4 | Very high | 64 Ų | 64 | 56.2 Ų | 56.2 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -2.2 | 178 | 53.8 | 0 | 0 | 0 | 0 | 114.5 | G71 D201 | G71-S73 PolarHBondContact O-N 3.46Å; G71-S73 VanDerWaalsContact O-N 3.09Å; S73-D201 WeakPolarHBondContact CA-OD1 3.33Å |
| 74 | Q | 90.6 | Very high | 93.6 | Very high | 113 Ų | 113 | 52.2 Ų | 52.2 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | trans | -88.5 | 130.6 | 178.2 | -56.8 | -179.1 | 24.3 | 0 | 0 | 109.9 | G71 Y72 G76 W96 | G71-Q74 VanDerWaalsContact O-CB 3.31Å; G71-Q74 WeakPolarHBondContact O-CB 3.19Å; G71-Q74 PolarHBondContact O-N 3.49Å; Y72-Q74 VanDerWaalsContact C-N 3.27Å; Y72-Q74 PolarHBondContact O-N 3.01Å; Q74-G76 PolarHBondContact O-N 2.95Å; Q74-W96 HydrophobicContact CB-CH2 4.02Å; Q74-W96 HydrophobicContact CB-CZ3 3.9Å | ||
| 75 | H | 77.3 | Confident | 93.6 | Very high | 113 Ų | 113 | 53.5 Ų | 53.5 | 52% | 0.523 | 30% | 0.304 | S | S | . | . | trans | -79.3 | -7.3 | -179 | -70.6 | -137.9 | 0 | 0 | 0 | 112.6 | A199 | H75-A199 WeakPolarHBondContact O-CB 3.46Š| ||
| 76 | G | 76.8 | Confident | 93.7 | Very high | 31 Ų | 31 | 49.9 Ų | 49.9 | 32% | 0.32 | 28% | 0.283 | S | S | . | . | trans | 55.1 | -175.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q74 | Q74-G76 PolarHBondContact O-N 2.95Š| ||
| 77 | N | 80.7 | Confident | 93.8 | Very high | 162 Ų | 162 | 48.2 Ų | 48.2 | 87% | 0.866 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -115.1 | -0.3 | 176.3 | -68.5 | -14.9 | 0 | 0 | 0 | 113.1 | ||
| 78 | Q | 92.3 | Very high | 94 | Very high | 147 Ų | 147 | 48.4 Ų | 48.4 | 69% | 0.687 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -121.5 | 141.9 | -175.8 | -64.1 | -59.4 | -34.9 | 0 | 0 | 109.7 | A199 | Q78-A199 WeakPolarHBondContact O-CB 3.39Š|
| 79 | P | 95.6 | Very high | 94 | Very high | 63 Ų | 63 | 45.1 Ų | 45.1 | 41% | 0.409 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 152.2 | 176.7 | 29.2 | -34.9 | 0 | 0 | 0 | 111.4 | F196 I197 | P79-F196 HydrophobicContact CB-CB 4.14Å; P79-F196 HydrophobicContact CB-CD1 4.48Å; P79-F196 HydrophobicContact CG-CB 4.36Å; P79-F196 HydrophobicContact CG-CD1 4.22Å; P79-F196 HydrophobicContact CG-CG 4.46Å; P79-I197 CarbonylContact C-O 3.53Å; P79-I197 VanDerWaalsContact CA-O 3.28Å; P79-I197 WeakPolarHBondContact CA-O 3.12Å; P79-I197 WeakPolarHBondContact CB-O 3.35Å |
| 80 | F | 97.1 | Very high | 94.1 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 4% | 0.044 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 147.3 | 172.3 | -62.1 | -11.9 | 0 | 0 | 0 | 110.6 | V91 L93 P94 M97 F196 I197 A199 F200 V202 | F80-V91 HydrophobicContact CB-CG1 3.92Å; F80-V91 HydrophobicContact CD2-CG1 3.95Å; F80-V91 HydrophobicContact CG-CG1 4.35Å; F80-L93 HydrophobicContact CE2-CD2 4.36Å; F80-P94 HydrophobicContact CE1-CG 4.15Å; F80-M97 HydrophobicContact CZ-CE 3.77Å; F80-F196 WeakPolarHBondContact O-CA 3.48Å; F80-I197 HydrophobicContact CB-CD1 4.42Å; F80-I197 HydrophobicContact CB-CG1 3.93Å; F80-I197 PolarHBondContact N-O 2.89Å; F80-I197 PolarHBondContact O-N 3.26Å; F80-A199 HydrophobicContact CD1-CB 3.64Å; F80-A199 HydrophobicContact CE1-CB 3.35Å; F80-A199 HydrophobicContact CE2-CB 4.3Å; F80-A199 HydrophobicContact CG-CB 4.24Å; F80-A199 HydrophobicContact CZ-CB 3.71Å; F80-F200 AromaticContact CD2-CD1 3.79Å; F80-F200 HydrophobicContact CD2-CD1 3.79Å; F80-F200 AromaticContact CD2-CE1 3.56Å; F80-F200 HydrophobicContact CD2-CE1 3.56Å; F80-F200 HydrophobicContact CD2-CZ 4.33Å; F80-F200 AromaticContact CE2-CD1 3.85Å; F80-F200 HydrophobicContact CE2-CD1 3.85Å; F80-F200 AromaticContact CE2-CE1 3.84Å; F80-F200 HydrophobicContact CE2-CE1 3.84Å; F80-F200 HydrophobicContact CE2-CG 4.39Å; F80-F200 HydrophobicContact CE2-CZ 4.35Å; F80-V202 HydrophobicContact CE2-CG2 3.99Å; F80-V202 HydrophobicContact CZ-CG2 4.5Å |
| 81 | S | 98.1 | Very high | 94.1 | Very high | 17 Ų | 17 | 42.1 Ų | 42.1 | 12% | 0.119 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 128.5 | 170.1 | -161.4 | 0 | 0 | 0 | 0 | 109.3 | V91 E92 | S81-V91 WeakPolarHBondContact O-CA 3.32Å; S81-E92 WeakPolarHBondContact CB-OE2 3.25Å; S81-E92 PolarHBondContact O-N 3.12Å |
| 82 | M | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 135.4 | 175.5 | -174.5 | -173.1 | 64.8 | 0 | 0 | 109.4 | V89 I90 V91 I181 Y184 I188 R194 A195 I197 | M82-V89 HydrophobicContact CG-CG2 3.7Å; M82-V89 HydrophobicContact SD-CG2 3.89Å; M82-I90 CarbonylContact C-O 3.54Å; M82-I90 VanDerWaalsContact CA-O 3.22Å; M82-I90 WeakPolarHBondContact CA-O 3.27Å; M82-V91 HydrophobicContact CB-CG2 4.28Å; M82-V91 HydrophobicContact CG-CG2 3.89Å; M82-V91 HydrophobicContact SD-CG2 4.44Å; M82-I181 HydrophobicContact SD-CG2 4.09Å; M82-Y184 WeakPolarHBondContact CE-O 3.4Å; M82-I188 HydrophobicContact CE-CD1 3.66Å; M82-I188 HydrophobicContact CE-CG1 3.84Å; M82-I188 HydrophobicContact CE-CG2 4.35Å; M82-I188 HydrophobicContact CG-CD1 3.84Å; M82-I188 HydrophobicContact SD-CD1 4.02Å; M82-R194 CarbonylContact O-C 3.41Å; M82-R194 WeakPolarHBondContact O-CA 3.24Å; M82-A195 PolarHBondContact N-O 2.98Å; M82-A195 PolarHBondContact O-N 2.98Å; M82-A195 VanDerWaalsContact O-O 3.07Å; M82-I197 HydrophobicContact CB-CD1 4.14Å; M82-I197 HydrophobicContact CB-CG1 4.38Å; M82-I197 HydrophobicContact CB-CG2 4.17Å; M82-I197 HydrophobicContact CE-CG2 3.85Å; M82-I197 HydrophobicContact SD-CD1 4.3Å; M82-I197 HydrophobicContact SD-CG2 4.22Å |
| 83 | H | 98.6 | Very high | 94.2 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 155.6 | -178.7 | 63.3 | -88.9 | 0 | 0 | 0 | 113.5 | V89 I90 E92 Q193 R194 | H83-V89 WeakPolarHBondContact O-CA 2.9Å; H83-I90 PolarHBondContact N-O 3.35Å; H83-I90 PolarHBondContact O-N 3.39Å; H83-E92 IonicContact CE1-OE1 3.62Å; H83-E92 PolarHBondContact CE1-OE1 3.1Å; H83-E92 IonicContact ND1-OE1 3.45Å; H83-Q193 VanDerWaalsContact CA-O 3.27Å; H83-Q193 WeakPolarHBondContact CA-O 3.37Å; H83-Q193 WeakPolarHBondContact CB-O 3.16Å; H83-R194 HydrophobicContact CB-CB 4.18Å; H83-R194 HydrophobicContact CB-CG 3.65Å |
| 84 | N | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 117.7 | 170.3 | 176.4 | -4.2 | 0 | 0 | 0 | 107.9 | G86 I188 R189 H190 D192 Q193 Y253 | N84-G86 WeakPolarHBondContact OD1-CA 3.37Å; N84-G86 PolarHBondContact OD1-N 2.93Å; N84-I188 HydrophobicContact CB-CB 4.16Å; N84-I188 HydrophobicContact CB-CD1 4.18Å; N84-I188 HydrophobicContact CB-CG1 4.45Å; N84-I188 WeakPolarHBondContact CB-O 3.2Å; N84-I188 PolarHBondContact ND2-O 3.4Å; N84-I188 VanDerWaalsContact ND2-O 3.16Å; N84-R189 PolarHBondContact ND2-O 3.13Å; N84-H190 VanDerWaalsContact ND2-C 3.34Å; N84-H190 PolarHBondContact ND2-O 3.46Å; N84-D192 PolarHBondContact O-N 3.28Å; N84-Q193 PolarHBondContact N-O 2.91Å; N84-Y253 PolarHBondContact ND2-O 2.9Å |
| 85 | N | 96.9 | Very high | 94.5 | Very high | 53 Ų | 53 | 45.6 Ų | 45.6 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | trans | -96 | 12.5 | 179.9 | 74.1 | -14.1 | 0 | 0 | 0 | 113.3 | H87 T88 I90 | N85-H87 PolarHBondContact O-N 3.41Å; N85-H87 WeakPolarHBondContact OD1-CA 3.42Å; N85-H87 WeakPolarHBondContact OD1-CB 3.26Å; N85-H87 PolarHBondContact OD1-N 3.3Å; N85-T88 PolarHBondContact N-O 3.13Å; N85-T88 PolarHBondContact OD1-N 2.97Å; N85-T88 PolarHBondContact OD1-O 3.39Å; N85-T88 VanDerWaalsContact OD1-O 3.14Å; N85-I90 HydrophobicContact CB-CD1 4.24Å; N85-I90 WeakPolarHBondContact ND2-CD1 3.44Å | ||
| 86 | G | 96.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 83.5 | -11.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N84 S191 S254 L265 | N84-G86 WeakPolarHBondContact OD1-CA 3.37Å; N84-G86 PolarHBondContact OD1-N 2.93Å; G86-S191 WeakPolarHBondContact CA-OG 3.32Å; G86-S191 PolarHBondContact N-OG 3.11Å; G86-S254 WeakPolarHBondContact O-CA 3.42Å; G86-S254 WeakPolarHBondContact O-CB 3.49Å; G86-L265 VanDerWaalsContact C-CD1 3.45Å; G86-L265 WeakPolarHBondContact O-CD1 3.46Å |
| 87 | H | 96.3 | Very high | 96.3 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 17% | 0.167 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -118.9 | -25.8 | 179.6 | -53.6 | -49.4 | 0 | 0 | 0 | 113.7 | W24 N85 N268 | W24-H87 HydrophobicContact CH2-CB 4.08Å; W24-H87 AromaticContact CH2-CD2 3.86Å; W24-H87 AromaticContact CH2-CG 3.71Å; W24-H87 AromaticContact CZ2-CD2 3.76Å; W24-H87 PolarHBondContact O-CE1 3.33Å; W24-H87 PolarHBondContact O-NE2 2.83Å; N85-H87 PolarHBondContact O-N 3.41Å; N85-H87 WeakPolarHBondContact OD1-CA 3.42Å; N85-H87 WeakPolarHBondContact OD1-CB 3.26Å; N85-H87 PolarHBondContact OD1-N 3.3Å; H87-N268 WeakPolarHBondContact O-CB 3.34Å; H87-N268 PolarHBondContact O-ND2 3.2Å |
| 88 | T | 98.5 | Very high | 97.1 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | trans | -164.7 | 173.3 | 177.6 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | N85 I90 H112 L113 | N85-T88 PolarHBondContact N-O 3.13Å; N85-T88 PolarHBondContact OD1-N 2.97Å; N85-T88 PolarHBondContact OD1-O 3.39Å; N85-T88 VanDerWaalsContact OD1-O 3.14Å; T88-I90 HydrophobicContact CG2-CD1 4.33Å; T88-I90 HydrophobicContact CG2-CG1 3.76Å; T88-H112 HydrophobicContact CG2-CB 3.76Å; T88-L113 PolarHBondContact OG1-N 3.46Å; T88-L113 PolarHBondContact OG1-O 3.18Å | ||
| 89 | V | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 130.8 | 159.3 | 55.6 | 0 | 0 | 0 | 0 | 109.4 | M82 H83 H112 L113 W115 I181 M185 I188 L252 | M82-V89 HydrophobicContact CG-CG2 3.7Å; M82-V89 HydrophobicContact SD-CG2 3.89Å; H83-V89 WeakPolarHBondContact O-CA 2.9Å; V89-H112 VanDerWaalsContact O-CA 3.28Å; V89-H112 WeakPolarHBondContact O-CA 3.29Å; V89-H112 VanDerWaalsContact O-CB 3.27Å; V89-H112 WeakPolarHBondContact O-CB 3.21Å; V89-L113 HydrophobicContact CG1-CB 4.17Å; V89-L113 HydrophobicContact CG1-CD1 3.74Å; V89-L113 HydrophobicContact CG1-CG 4.39Å; V89-W115 HydrophobicContact CG1-CH2 4.29Å; V89-W115 HydrophobicContact CG1-CZ3 4.13Å; V89-I181 HydrophobicContact CG2-CG2 4.4Å; V89-M185 HydrophobicContact CB-CE 4.3Å; V89-M185 HydrophobicContact CG1-CE 3.57Å; V89-I188 HydrophobicContact CB-CD1 4.33Å; V89-I188 HydrophobicContact CG2-CD1 3.64Å; V89-L252 HydrophobicContact CB-CD1 3.98Å; V89-L252 HydrophobicContact CG1-CD1 4.46Å |
| 90 | I | 98.8 | Very high | 97.4 | Very high | 21 Ų | 21 | 27.5 Ų | 27.5 | 11% | 0.108 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 135.1 | 175.4 | -61.4 | -179.4 | 0 | 0 | 0 | 108.6 | M82 H83 N85 T88 Q110 L111 H112 | M82-I90 CarbonylContact C-O 3.54Å; M82-I90 VanDerWaalsContact CA-O 3.22Å; M82-I90 WeakPolarHBondContact CA-O 3.27Å; H83-I90 PolarHBondContact N-O 3.35Å; H83-I90 PolarHBondContact O-N 3.39Å; N85-I90 HydrophobicContact CB-CD1 4.24Å; N85-I90 WeakPolarHBondContact ND2-CD1 3.44Å; T88-I90 HydrophobicContact CG2-CD1 4.33Å; T88-I90 HydrophobicContact CG2-CG1 3.76Å; I90-Q110 HydrophobicContact CG2-CB 3.9Å; I90-Q110 HydrophobicContact CG2-CG 4.38Å; I90-L111 WeakPolarHBondContact CA-O 3.27Å; I90-H112 HydrophobicContact CG1-CB 4.18Å |
| 91 | V | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 119.6 | 164.6 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | F80 S81 M82 Q110 L111 I181 I197 F200 | F80-V91 HydrophobicContact CB-CG1 3.92Å; F80-V91 HydrophobicContact CD2-CG1 3.95Å; F80-V91 HydrophobicContact CG-CG1 4.35Å; S81-V91 WeakPolarHBondContact O-CA 3.32Å; M82-V91 HydrophobicContact CB-CG2 4.28Å; M82-V91 HydrophobicContact CG-CG2 3.89Å; M82-V91 HydrophobicContact SD-CG2 4.44Å; V91-Q110 CarbonylContact O-C 3.51Å; V91-Q110 WeakPolarHBondContact O-CA 3.32Å; V91-Q110 WeakPolarHBondContact O-CB 3.39Å; V91-L111 HydrophobicContact CB-CD1 3.68Å; V91-L111 HydrophobicContact CB-CG 3.96Å; V91-L111 HydrophobicContact CG2-CD1 3.78Å; V91-L111 PolarHBondContact N-O 2.94Å; V91-L111 PolarHBondContact O-N 3.49Å; V91-I181 HydrophobicContact CG2-CD1 4.26Å; V91-I181 HydrophobicContact CG2-CG1 4.18Å; V91-I181 HydrophobicContact CG2-CG2 4.35Å; V91-I197 HydrophobicContact CG1-CD1 4.24Å; V91-I197 HydrophobicContact CG2-CD1 4.26Å; V91-F200 HydrophobicContact CG1-CE1 4.49Å |
| 92 | E | 98.4 | Very high | 97 | Very high | 76 Ų | 76 | 28.3 Ų | 28.3 | 36% | 0.355 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 128.5 | 175.7 | -65.3 | 174.7 | -176.2 | 0 | 0 | 109.3 | S81 H83 R194 | S81-E92 WeakPolarHBondContact CB-OE2 3.25Å; S81-E92 PolarHBondContact O-N 3.12Å; H83-E92 IonicContact CE1-OE1 3.62Å; H83-E92 PolarHBondContact CE1-OE1 3.1Å; H83-E92 IonicContact ND1-OE1 3.45Å; E92-R194 IonicContact OE1-CZ 3.72Å; E92-R194 IonicContact OE1-NH1 3.66Å; E92-R194 PolarHBondContact OE1-NH1 3.33Å; E92-R194 IonicContact OE1-NH2 3.9Å; E92-R194 IonicContact OE2-NH1 2.81Å |
| 93 | L | 97.8 | Very high | 96.7 | Very high | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.063 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -101.9 | 144.5 | -179.2 | -64.3 | 179.2 | 0 | 0 | 0 | 110.3 | F80 M97 A108 V109 L111 V140 V202 | F80-L93 HydrophobicContact CE2-CD2 4.36Å; L93-M97 HydrophobicContact CD2-SD 4.34Å; L93-A108 HydrophobicContact CB-CB 4.13Å; L93-A108 HydrophobicContact CD1-CB 4.06Å; L93-V109 PolarHBondContact N-O 2.6Å; L93-L111 HydrophobicContact CD1-CB 4.4Å; L93-L111 HydrophobicContact CD1-CD2 4.35Å; L93-L111 HydrophobicContact CD2-CD2 4.12Å; L93-L111 HydrophobicContact CD2-CG 4.48Å; L93-V140 HydrophobicContact CD1-CG1 3.72Å; L93-V202 HydrophobicContact CD2-CG2 3.87Å |
| 94 | P | 95.6 | Very high | 96.6 | Very high | 31 Ų | 31 | 35.7 Ų | 35.7 | 20% | 0.201 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -75.8 | 146.7 | -178.4 | 30.1 | -33.7 | 0 | 0 | 0 | 112.3 | F80 W96 M97 | F80-P94 HydrophobicContact CE1-CG 4.15Å; P94-W96 HydrophobicContact CB-CD2 4.21Å; P94-W96 HydrophobicContact CB-CG 4.29Å; P94-W96 HydrophobicContact CB-CZ2 4.07Å; P94-W96 VanDerWaalsContact CB-NE1 3.3Å; P94-W96 HydrophobicContact CG-CD2 3.97Å; P94-W96 HydrophobicContact CG-CH2 3.95Å; P94-W96 HydrophobicContact CG-CZ2 3.32Å; P94-W96 HydrophobicContact CG-CZ3 4.49Å; P94-W96 PolarHBondContact O-N 3.04Å; P94-W96 VanDerWaalsContact O-N 3.07Å; P94-M97 HydrophobicContact CG-CE 4.05Å; P94-M97 HydrophobicContact CG-CG 4.05Å; P94-M97 HydrophobicContact CG-SD 4.15Å; P94-M97 WeakPolarHBondContact O-CB 3.47Å; P94-M97 PolarHBondContact O-N 2.95Å |
| 95 | E | 94.3 | Very high | 96.5 | Very high | 148 Ų | 148 | 39.1 Ų | 39.1 | 69% | 0.692 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.9 | -174.7 | -62.9 | -176.5 | 163.1 | 0 | 0 | 115 | M97 T107 | E95-M97 PolarHBondContact O-N 3.42Å; E95-T107 HydrophobicContact CB-CG2 4Å; E95-T107 HydrophobicContact CG-CG2 4.4Å; E95-T107 VanDerWaalsContact O-CG2 3.31Å; E95-T107 WeakPolarHBondContact O-CG2 3.32Å |
| 96 | W | 94.4 | Very high | 96.6 | Very high | 119 Ų | 119 | 36.6 Ų | 36.6 | 45% | 0.451 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -11.3 | 173.6 | 55.1 | -105.4 | 0 | 0 | 0 | 112.9 | G71 Q74 P94 | G71-W96 WeakPolarHBondContact O-CZ3 3.45Å; Q74-W96 HydrophobicContact CB-CH2 4.02Å; Q74-W96 HydrophobicContact CB-CZ3 3.9Å; P94-W96 HydrophobicContact CB-CD2 4.21Å; P94-W96 HydrophobicContact CB-CG 4.29Å; P94-W96 HydrophobicContact CB-CZ2 4.07Å; P94-W96 VanDerWaalsContact CB-NE1 3.3Å; P94-W96 HydrophobicContact CG-CD2 3.97Å; P94-W96 HydrophobicContact CG-CH2 3.95Å; P94-W96 HydrophobicContact CG-CZ2 3.32Å; P94-W96 HydrophobicContact CG-CZ3 4.49Å; P94-W96 PolarHBondContact O-N 3.04Å; P94-W96 VanDerWaalsContact O-N 3.07Å |
| 97 | M | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -83.4 | 145.4 | 167.1 | -69.5 | -175.1 | -175.2 | 0 | 0 | 110.4 | L70 Y72 F80 L93 P94 E95 A108 V202 | L70-M97 WeakPolarHBondContact O-CA 3.25Å; Y72-M97 HydrophobicContact CD1-CB 4.19Å; Y72-M97 HydrophobicContact CD1-CG 4.35Å; Y72-M97 HydrophobicContact CD1-SD 4.28Å; Y72-M97 HydrophobicContact CE1-CB 4.16Å; F80-M97 HydrophobicContact CZ-CE 3.77Å; L93-M97 HydrophobicContact CD2-SD 4.34Å; P94-M97 HydrophobicContact CG-CE 4.05Å; P94-M97 HydrophobicContact CG-CG 4.05Å; P94-M97 HydrophobicContact CG-SD 4.15Å; P94-M97 WeakPolarHBondContact O-CB 3.47Å; P94-M97 PolarHBondContact O-N 2.95Å; E95-M97 PolarHBondContact O-N 3.42Å; M97-A108 HydrophobicContact CB-CB 3.8Å; M97-A108 PolarHBondContact O-N 3.13Å; M97-V202 HydrophobicContact CE-CG2 3.93Å; M97-V202 HydrophobicContact SD-CG2 4.01Å | ||
| 98 | G | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | -172.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L70 Y72 F106 | L70-G98 PolarHBondContact N-O 3.18Å; L70-G98 PolarHBondContact O-N 3.19Å; Y72-G98 WeakPolarHBondContact CE1-O 2.92Å; G98-F106 CarbonylContact C-O 3.24Å; G98-F106 WeakPolarHBondContact CA-O 3.29Å |
| 99 | L | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 120.3 | -176 | -172.2 | 66.9 | 0 | 0 | 0 | 109.7 | V67 L102 F106 A162 L164 | V67-L99 HydrophobicContact CB-CD1 4.07Å; L99-L102 HydrophobicContact CD2-CD1 3.43Å; L99-L102 VanDerWaalsContact CD2-CD1 3.43Å; L99-L102 HydrophobicContact CG-CD1 3.67Å; L99-F106 HydrophobicContact CB-CB 4.33Å; L99-F106 PolarHBondContact N-O 2.96Å; L99-F106 PolarHBondContact O-N 3.11Å; L99-F106 VanDerWaalsContact O-N 3.15Å; L99-A162 HydrophobicContact CD2-CB 4.41Å; L99-L164 HydrophobicContact CD1-CD1 4.08Å; L99-L164 HydrophobicContact CD1-CD2 4.31Å; L99-L164 HydrophobicContact CD2-CD1 4.43Å; L99-L164 HydrophobicContact CD2-CD2 3.76Å; L99-L164 HydrophobicContact CD2-CG 4.08Å |
| 100 | G | 96.4 | Very high | 96.8 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 16% | 0.155 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -178.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T68 L102 | T68-G100 PolarHBondContact N-O 2.59Å; T68-G100 PolarHBondContact O-N 2.85Å; G100-L102 VanDerWaalsContact C-N 3.31Å |
| 101 | G | 93.3 | Very high | 96.8 | Very high | 24 Ų | 24 | 37 Ų | 37 | 25% | 0.247 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 79 | 16.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 102 | L | 94.6 | Very high | 96.8 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -119.4 | 170 | 166.7 | -74.4 | 110.2 | 0 | 0 | 0 | 109.2 | V67 L99 G100 W104 F106 A162 I230 | V67-L102 HydrophobicContact CG1-CD1 4.38Å; L99-L102 HydrophobicContact CD2-CD1 3.43Å; L99-L102 VanDerWaalsContact CD2-CD1 3.43Å; L99-L102 HydrophobicContact CG-CD1 3.67Å; G100-L102 VanDerWaalsContact C-N 3.31Å; L102-W104 PolarHBondContact O-N 3.11Å; L102-W104 VanDerWaalsContact O-N 3.11Å; L102-F106 HydrophobicContact CB-CD2 4.09Å; L102-F106 HydrophobicContact CB-CE2 3.75Å; L102-F106 HydrophobicContact CD1-CD2 4.47Å; L102-F106 HydrophobicContact CD2-CE2 4.23Å; L102-F106 HydrophobicContact CG-CE2 4.44Å; L102-A162 HydrophobicContact CD2-CB 4.18Å; L102-I230 HydrophobicContact CD2-CB 4.37Å; L102-I230 HydrophobicContact CD2-CG2 3.81Å |
| 103 | P | 92.4 | Very high | 96.8 | Very high | 99 Ų | 99 | 34.2 Ų | 34.2 | 64% | 0.643 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -59.8 | -20.7 | -179.8 | -25.3 | 35.2 | 0 | 0 | 0 | 115 | ||
| 104 | W | 96.1 | Very high | 96.9 | Very high | 75 Ų | 75 | 33.8 Ų | 33.8 | 28% | 0.284 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -129.8 | 163.3 | 176 | -58.7 | -83 | 0 | 0 | 0 | 110.1 | L102 F106 N144 E146 L147 D159 I230 | L102-W104 PolarHBondContact O-N 3.11Å; L102-W104 VanDerWaalsContact O-N 3.11Å; W104-F106 HydrophobicContact CB-CD2 4.4Å; W104-F106 HydrophobicContact CB-CE2 3.85Å; W104-F106 HydrophobicContact CB-CZ 4.39Å; W104-F106 HydrophobicContact CE3-CE2 4.32Å; W104-F106 HydrophobicContact CE3-CZ 4.11Å; W104-F106 WeakPolarHBondContact O-CD2 3.19Å; W104-F106 WeakPolarHBondContact O-CE2 3.34Å; W104-N144 VanDerWaalsContact CD2-ND2 3.32Å; W104-N144 VanDerWaalsContact CG-ND2 3.31Å; W104-E146 VanDerWaalsContact CD1-OE2 3.3Å; W104-L147 HydrophobicContact CD2-CD1 4.42Å; W104-L147 HydrophobicContact CZ2-CD1 4.15Å; W104-D159 HydrophobicContact CE3-CB 4.48Å; W104-D159 HydrophobicContact CH2-CB 3.82Å; W104-D159 HydrophobicContact CZ3-CB 3.77Å; W104-I230 HydrophobicContact CZ3-CD1 4.26Å |
| 105 | F | 96.3 | Very high | 97 | Very high | 72 Ų | 72 | 32.3 Ų | 32.3 | 32% | 0.316 | 17% | 0.165 | S | C | . | . | trans | -75.4 | 131.5 | 162.3 | 175 | -94.9 | 0 | 0 | 0 | 111.3 | L70 T107 A145 E146 | L70-F105 HydrophobicContact CD1-CD2 3.77Å; L70-F105 HydrophobicContact CD1-CE2 3.48Å; L70-F105 VanDerWaalsContact CD1-CE2 3.48Å; F105-T107 WeakPolarHBondContact CE1-OG1 3.16Å; F105-A145 HydrophobicContact CD1-CB 4.37Å; F105-A145 HydrophobicContact CE1-CB 4.48Å; F105-A145 PolarHBondContact O-N 3.32Å; F105-E146 HydrophobicContact CB-CG 3.88Å; F105-E146 WeakPolarHBondContact CB-OE1 3.46Å; F105-E146 VanDerWaalsContact N-CD 3.28Å; F105-E146 PolarHBondContact N-OE1 2.89Å | ||
| 106 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.4 | 177.1 | -68.1 | -104.9 | 0 | 0 | 0 | 110.5 | G98 L99 L102 W104 H142 Y143 N144 A162 I230 | G98-F106 CarbonylContact C-O 3.24Å; G98-F106 WeakPolarHBondContact CA-O 3.29Å; L99-F106 HydrophobicContact CB-CB 4.33Å; L99-F106 PolarHBondContact N-O 2.96Å; L99-F106 PolarHBondContact O-N 3.11Å; L99-F106 VanDerWaalsContact O-N 3.15Å; L102-F106 HydrophobicContact CB-CD2 4.09Å; L102-F106 HydrophobicContact CB-CE2 3.75Å; L102-F106 HydrophobicContact CD1-CD2 4.47Å; L102-F106 HydrophobicContact CD2-CE2 4.23Å; L102-F106 HydrophobicContact CG-CE2 4.44Å; W104-F106 HydrophobicContact CB-CD2 4.4Å; W104-F106 HydrophobicContact CB-CE2 3.85Å; W104-F106 HydrophobicContact CB-CZ 4.39Å; W104-F106 HydrophobicContact CE3-CE2 4.32Å; W104-F106 HydrophobicContact CE3-CZ 4.11Å; W104-F106 WeakPolarHBondContact O-CD2 3.19Å; W104-F106 WeakPolarHBondContact O-CE2 3.34Å; F106-H142 HydrophobicContact CB-CB 3.63Å; F106-H142 HydrophobicContact CD1-CB 4.42Å; F106-H142 HydrophobicContact CG-CB 4.46Å; F106-Y143 CarbonylContact C-O 3.31Å; F106-Y143 WeakPolarHBondContact CA-O 3.24Å; F106-Y143 VanDerWaalsContact CD1-C 3.48Å; F106-N144 HydrophobicContact CD1-CB 3.89Å; F106-N144 HydrophobicContact CE1-CB 3.54Å; F106-N144 HydrophobicContact CZ-CB 4.03Å; F106-A162 HydrophobicContact CB-CB 4.43Å; F106-A162 HydrophobicContact CD1-CB 3.42Å; F106-A162 VanDerWaalsContact CD1-CB 3.42Å; F106-A162 HydrophobicContact CD2-CB 4.18Å; F106-A162 HydrophobicContact CE1-CB 3.59Å; F106-A162 HydrophobicContact CE2-CB 4.33Å; F106-A162 HydrophobicContact CG-CB 3.77Å; F106-A162 HydrophobicContact CZ-CB 4.07Å; F106-I230 HydrophobicContact CZ-CD1 4.22Å |
| 107 | T | 98.6 | Very high | 97 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 6% | 0.061 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 134.8 | 174.4 | -72.2 | 0 | 0 | 0 | 0 | 110 | E95 F105 H142 Y143 A145 | E95-T107 HydrophobicContact CB-CG2 4Å; E95-T107 HydrophobicContact CG-CG2 4.4Å; E95-T107 VanDerWaalsContact O-CG2 3.31Å; E95-T107 WeakPolarHBondContact O-CG2 3.32Å; F105-T107 WeakPolarHBondContact CE1-OG1 3.16Å; T107-H142 CarbonylContact O-C 3.53Å; T107-H142 WeakPolarHBondContact O-CA 3.48Å; T107-H142 VanDerWaalsContact O-CB 3.28Å; T107-H142 WeakPolarHBondContact O-CB 3.35Å; T107-Y143 HydrophobicContact CG2-CE1 3.8Å; T107-Y143 PolarHBondContact N-O 3.37Å; T107-Y143 PolarHBondContact O-N 3.46Å; T107-A145 WeakPolarHBondContact OG1-CB 3.47Å |
| 108 | A | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 145.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L93 M97 H142 | L93-A108 HydrophobicContact CB-CB 4.13Å; L93-A108 HydrophobicContact CD1-CB 4.06Å; M97-A108 HydrophobicContact CB-CB 3.8Å; M97-A108 PolarHBondContact O-N 3.13Å; A108-H142 VanDerWaalsContact CA-CD2 3.42Å; A108-H142 WeakPolarHBondContact CA-CD2 3.37Å |
| 109 | V | 98.3 | Very high | 96 | Very high | 38 Ų | 38 | 24.7 Ų | 24.7 | 23% | 0.23 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | -52.3 | -179.8 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | L93 V141 Y143 M151 | L93-V109 PolarHBondContact N-O 2.6Å; V109-V141 PolarHBondContact N-O 3.43Å; V109-Y143 HydrophobicContact CG2-CD1 3.51Å; V109-Y143 HydrophobicContact CG2-CE1 4.2Å; V109-Y143 HydrophobicContact CG2-CG 4.49Å; V109-M151 HydrophobicContact CB-SD 4.22Å; V109-M151 HydrophobicContact CG1-SD 3.69Å; V109-M151 HydrophobicContact CG2-CB 4.26Å; V109-M151 HydrophobicContact CG2-CG 4.37Å; V109-M151 HydrophobicContact CG2-SD 4.06Å |
| 110 | Q | 98.7 | Very high | 95 | Very high | 31 Ų | 31 | 30.9 Ų | 30.9 | 15% | 0.145 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 163.8 | -174.9 | 55.9 | 87.7 | -26.5 | 0 | 0 | 110.6 | I90 V91 H112 V141 | I90-Q110 HydrophobicContact CG2-CB 3.9Å; I90-Q110 HydrophobicContact CG2-CG 4.38Å; V91-Q110 CarbonylContact O-C 3.51Å; V91-Q110 WeakPolarHBondContact O-CA 3.32Å; V91-Q110 WeakPolarHBondContact O-CB 3.39Å; Q110-H112 PolarHBondContact NE2-ND1 2.81Å; Q110-H112 VanDerWaalsContact NE2-ND1 3.1Å; Q110-H112 PolarHBondContact OE1-ND1 3.07Å; Q110-V141 HydrophobicContact CG-CB 4.22Å; Q110-V141 HydrophobicContact CG-CG2 4.46Å; Q110-V141 PolarHBondContact O-N 2.88Å |
| 111 | L | 98.8 | Very high | 94 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 153.8 | 159.2 | 62.2 | 80.6 | 0 | 0 | 0 | 111.2 | I90 V91 L93 L138 H139 V140 I181 V202 L205 | I90-L111 WeakPolarHBondContact CA-O 3.27Å; V91-L111 HydrophobicContact CB-CD1 3.68Å; V91-L111 HydrophobicContact CB-CG 3.96Å; V91-L111 HydrophobicContact CG2-CD1 3.78Å; V91-L111 PolarHBondContact N-O 2.94Å; V91-L111 PolarHBondContact O-N 3.49Å; L93-L111 HydrophobicContact CD1-CB 4.4Å; L93-L111 HydrophobicContact CD1-CD2 4.35Å; L93-L111 HydrophobicContact CD2-CD2 4.12Å; L93-L111 HydrophobicContact CD2-CG 4.48Å; L111-L138 HydrophobicContact CB-CD1 3.97Å; L111-L138 HydrophobicContact CD1-CD1 4.05Å; L111-L138 HydrophobicContact CG-CD1 4.43Å; L111-H139 CarbonylContact C-O 3.38Å; L111-H139 WeakPolarHBondContact CA-O 3.37Å; L111-H139 VanDerWaalsContact CB-O 3.32Å; L111-H139 WeakPolarHBondContact CB-O 3.36Å; L111-V140 HydrophobicContact CB-CB 4.45Å; L111-V140 HydrophobicContact CB-CG1 4.3Å; L111-V140 HydrophobicContact CB-CG2 4.11Å; L111-I181 HydrophobicContact CD1-CD1 3.64Å; L111-V202 HydrophobicContact CD2-CG1 3.97Å; L111-L205 HydrophobicContact CD2-CD1 3.68Å |
| 112 | H | 98.9 | Very high | 93.5 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 9% | 0.088 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 167.3 | 177.2 | 62.1 | -78 | 0 | 0 | 0 | 111.8 | T88 V89 I90 Q110 H114 L138 H139 | T88-H112 HydrophobicContact CG2-CB 3.76Å; V89-H112 VanDerWaalsContact O-CA 3.28Å; V89-H112 WeakPolarHBondContact O-CA 3.29Å; V89-H112 VanDerWaalsContact O-CB 3.27Å; V89-H112 WeakPolarHBondContact O-CB 3.21Å; I90-H112 HydrophobicContact CG1-CB 4.18Å; Q110-H112 PolarHBondContact NE2-ND1 2.81Å; Q110-H112 VanDerWaalsContact NE2-ND1 3.1Å; Q110-H112 PolarHBondContact OE1-ND1 3.07Å; H112-H114 AromaticContact CD2-CD2 3.99Å; H112-H114 AromaticContact CD2-NE2 3.27Å; H112-H114 PolarHBondContact CD2-NE2 2.88Å; H112-H114 VanDerWaalsContact CD2-NE2 3.27Å; H112-H114 AromaticContact NE2-NE2 3.27Å; H112-H114 PolarHBondContact NE2-NE2 3.04Å; H112-L138 WeakPolarHBondContact O-CD1 3.06Å; H112-H139 WeakPolarHBondContact CE1-CB 3.32Å; H112-H139 AromaticContact CE1-ND1 3.88Å; H112-H139 PolarHBondContact N-O 3.44Å; H112-H139 AromaticContact NE2-CG 3.86Å; H112-H139 AromaticContact NE2-ND1 3.32Å; H112-H139 PolarHBondContact NE2-ND1 2.6Å; H112-H139 PolarHBondContact O-N 3.31Å |
| 113 | L | 98.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 147.1 | -170.4 | -70.6 | 159.2 | 0 | 0 | 0 | 112 | T88 V89 W115 E137 L138 I168 F178 I181 M185 M248 N268 | T88-L113 PolarHBondContact OG1-N 3.46Å; T88-L113 PolarHBondContact OG1-O 3.18Å; V89-L113 HydrophobicContact CG1-CB 4.17Å; V89-L113 HydrophobicContact CG1-CD1 3.74Å; V89-L113 HydrophobicContact CG1-CG 4.39Å; L113-W115 HydrophobicContact CB-CE3 3.81Å; L113-W115 HydrophobicContact CB-CZ3 3.71Å; L113-W115 VanDerWaalsContact O-CZ3 3.27Å; L113-W115 WeakPolarHBondContact O-CZ3 3.16Å; L113-E137 CarbonylContact C-O 3.5Å; L113-E137 WeakPolarHBondContact CA-O 3.36Å; L113-L138 HydrophobicContact CD2-CB 3.82Å; L113-L138 HydrophobicContact CD2-CD1 4.03Å; L113-L138 HydrophobicContact CG-CD1 4.41Å; L113-I168 HydrophobicContact CD2-CD1 3.86Å; L113-F178 HydrophobicContact CD2-CE1 3.98Å; L113-I181 HydrophobicContact CD1-CG2 4.48Å; L113-M185 HydrophobicContact CD1-CE 4.32Å; L113-M248 HydrophobicContact CD1-CE 3.81Å; L113-M248 HydrophobicContact CD2-CE 3.86Å; L113-M248 HydrophobicContact CG-CE 4.39Å; L113-N268 PolarHBondContact O-ND2 3.4Å |
| 114 | H | 98.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 135.7 | 170.3 | -61.7 | -87.3 | 0 | 0 | 0 | 109 | H112 G124 E126 A136 E137 H139 N268 F269 | H112-H114 AromaticContact CD2-CD2 3.99Å; H112-H114 AromaticContact CD2-NE2 3.27Å; H112-H114 PolarHBondContact CD2-NE2 2.88Å; H112-H114 VanDerWaalsContact CD2-NE2 3.27Å; H112-H114 AromaticContact NE2-NE2 3.27Å; H112-H114 PolarHBondContact NE2-NE2 3.04Å; H114-G124 CarbonylContact C-O 3.55Å; H114-E126 HydrophobicContact CB-CG 4.14Å; H114-E126 IonicContact CD2-OE2 3.54Å; H114-E126 IonicContact CE1-OE1 3.84Å; H114-E126 IonicContact CE1-OE2 3.13Å; H114-E126 IonicContact ND1-OE1 2.77Å; H114-E126 IonicContact ND1-OE2 3.36Å; H114-E126 IonicContact NE2-OE2 3.57Å; H114-E126 PolarHBondContact NE2-OE2 3.31Å; H114-A136 CarbonylContact O-C 3.51Å; H114-A136 WeakPolarHBondContact O-CA 3.39Å; H114-A136 WeakPolarHBondContact O-CB 3.12Å; H114-E137 HydrophobicContact CB-CB 4.45Å; H114-E137 PolarHBondContact N-O 2.9Å; H114-E137 PolarHBondContact O-N 2.82Å; H114-H139 AromaticContact CD2-CE1 3.55Å; H114-H139 AromaticContact CD2-ND1 3.41Å; H114-H139 PolarHBondContact CD2-ND1 2.87Å; H114-H139 AromaticContact NE2-CE1 3.46Å; H114-H139 PolarHBondContact NE2-CE1 2.68Å; H114-H139 AromaticContact NE2-ND1 3.11Å; H114-H139 PolarHBondContact NE2-ND1 2.92Å; H114-H139 VanDerWaalsContact NE2-ND1 3.11Å; H114-N268 PolarHBondContact ND1-O 3.05Å; H114-F269 HydrophobicContact CB-CB 4.2Å |
| 115 | W | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 163 | -179.1 | 62.2 | 91.6 | 0 | 0 | 0 | 111.7 | V89 L113 G124 A136 M248 L252 L265 D267 N268 | V89-W115 HydrophobicContact CG1-CH2 4.29Å; V89-W115 HydrophobicContact CG1-CZ3 4.13Å; L113-W115 HydrophobicContact CB-CE3 3.81Å; L113-W115 HydrophobicContact CB-CZ3 3.71Å; L113-W115 VanDerWaalsContact O-CZ3 3.27Å; L113-W115 WeakPolarHBondContact O-CZ3 3.16Å; W115-G124 WeakPolarHBondContact CA-O 3.32Å; W115-G124 PolarHBondContact N-O 3.27Å; W115-A136 HydrophobicContact CB-CB 4.17Å; W115-M248 HydrophobicContact CB-CB 4.21Å; W115-M248 HydrophobicContact CB-SD 4.48Å; W115-M248 HydrophobicContact CD2-CB 3.9Å; W115-M248 VanDerWaalsContact CE2-O 3.3Å; W115-M248 HydrophobicContact CE3-CB 4.36Å; W115-M248 HydrophobicContact CG-CB 3.82Å; W115-M248 PolarHBondContact NE1-O 3.07Å; W115-L252 HydrophobicContact CH2-CD1 3.86Å; W115-L252 HydrophobicContact CZ2-CD1 4.08Å; W115-L265 HydrophobicContact CH2-CD2 3.52Å; W115-L265 HydrophobicContact CZ2-CB 4.45Å; W115-L265 HydrophobicContact CZ2-CD2 3.16Å; W115-L265 HydrophobicContact CZ2-CG 4.34Å; W115-L265 PolarHBondContact NE1-O 3.49Å; W115-D267 PolarHBondContact O-N 2.94Å; W115-N268 WeakPolarHBondContact CZ3-ND2 3.38Å; W115-N268 PolarHBondContact N-OD1 2.95Å; W115-N268 PolarHBondContact O-N 2.88Å; W115-N268 PolarHBondContact O-OD1 3.35Å |
| 116 | G | 96.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | trans | -92.9 | -168.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G124 | G116-G124 VanDerWaalsContact N-CA 3.27Š| ||
| 117 | N | 93.4 | Very high | 93.8 | Very high | 40 Ų | 40 | 29.5 Ų | 29.5 | 21% | 0.214 | 19% | 0.191 | C | C | . | . | trans | -92.1 | 6.7 | 175.8 | 57.6 | 27.2 | 0 | 0 | 0 | 114.5 | A119 Q266 D267 | N117-A119 VanDerWaalsContact C-N 3.29Å; N117-A119 PolarHBondContact O-N 2.77Å; N117-A119 WeakPolarHBondContact OD1-CB 3.45Å; N117-A119 PolarHBondContact OD1-N 2.75Å; N117-Q266 HydrophobicContact CB-CB 4Å; N117-Q266 HydrophobicContact CB-CG 4.36Å; N117-D267 VanDerWaalsContact CG-OD1 3.31Å; N117-D267 PolarHBondContact N-OD1 3.06Å; N117-D267 VanDerWaalsContact N-OD1 3.1Å; N117-D267 VanDerWaalsContact ND2-CG 3.31Å; N117-D267 PolarHBondContact ND2-OD1 2.58Å; N117-D267 VanDerWaalsContact ND2-OD1 3.09Å; N117-D267 PolarHBondContact ND2-OD2 3.27Å | ||
| 118 | G | 86.4 | Confident | 93.8 | Very high | 30 Ų | 30 | 29.8 Ų | 29.8 | 31% | 0.309 | 19% | 0.193 | S | C | . | . | trans | 74.8 | 10.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | E249 | G118-E249 VanDerWaalsContact CA-CD 3.45Å; G118-E249 WeakPolarHBondContact CA-OE1 3.16Å; G118-E249 PolarHBondContact N-OE1 3.45Å | ||
| 119 | A | 86.1 | Confident | 93.7 | Very high | 33 Ų | 33 | 30.5 Ų | 30.5 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | trans | -64.1 | 135.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | N117 G121 R122 | N117-A119 VanDerWaalsContact C-N 3.29Å; N117-A119 PolarHBondContact O-N 2.77Å; N117-A119 WeakPolarHBondContact OD1-CB 3.45Å; N117-A119 PolarHBondContact OD1-N 2.75Å; A119-G121 PolarHBondContact O-N 2.75Å; A119-R122 HydrophobicContact CB-CB 4.28Å; A119-R122 HydrophobicContact CB-CG 4.05Å; A119-R122 PolarHBondContact O-N 2.97Å | ||
| 120 | P | 78.3 | Confident | 93.7 | Very high | 131 Ų | 131 | 32.5 Ų | 32.5 | 85% | 0.851 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | 132.4 | -179.6 | -25.4 | 33.3 | 0 | 0 | 0 | 112.6 | R122 | P120-R122 PolarHBondContact O-N 2.95Š|
| 121 | G | 75.6 | Confident | 93.6 | Very high | 93 Ų | 93 | 33.7 Ų | 33.7 | 96% | 0.959 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 6.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | A119 | A119-G121 PolarHBondContact O-N 2.75Š|
| 122 | R | 80.9 | Confident | 93.4 | Very high | 161 Ų | 161 | 42.5 Ų | 42.5 | 61% | 0.608 | 26% | 0.26 | S | S | * | . | trans | -108.2 | 126 | 169.8 | -54.9 | -172.3 | 102.4 | -174 | 1.7 | 108.6 | A119 P120 | A119-R122 HydrophobicContact CB-CB 4.28Å; A119-R122 HydrophobicContact CB-CG 4.05Å; A119-R122 PolarHBondContact O-N 2.97Å; P120-R122 PolarHBondContact O-N 2.95Å | ||
| 123 | G | 92.1 | Very high | 93.3 | Very high | 18 Ų | 18 | 43.8 Ų | 43.8 | 19% | 0.186 | 27% | 0.271 | C | S | . | . | trans | -81.4 | -175.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S133 S134 | G123-S133 WeakPolarHBondContact CA-OG 3.42Å; G123-S134 CarbonylContact C-O 3.59Å; G123-S134 WeakPolarHBondContact CA-O 3.27Å | ||
| 124 | G | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -136.1 | 1.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H114 W115 G116 S134 D135 | H114-G124 CarbonylContact C-O 3.55Å; W115-G124 WeakPolarHBondContact CA-O 3.32Å; W115-G124 PolarHBondContact N-O 3.27Å; G116-G124 VanDerWaalsContact N-CA 3.27Å; G124-S134 PolarHBondContact N-O 3.24Å; G124-D135 VanDerWaalsContact CA-O 3.29Å; G124-D135 WeakPolarHBondContact CA-O 3.32Å; G124-D135 PolarHBondContact N-O 3.42Å | ||
| 125 | S | 98.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | trans | -75.4 | 149.1 | 173.4 | 71 | 0 | 0 | 0 | 0 | 111.7 | H127 S133 S134 | S125-H127 WeakPolarHBondContact CB-O 3.42Å; S125-H127 PolarHBondContact OG-O 3.48Å; S125-S133 PolarHBondContact N-OG 3.07Å; S125-S133 WeakPolarHBondContact OG-CA 3.12Å; S125-S133 PolarHBondContact OG-OG 3.42Å; S125-S134 PolarHBondContact N-O 3.17Å; S125-S134 PolarHBondContact OG-N 3.44Å | ||
| 126 | E | 98.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -77.1 | -52.5 | 174.2 | -81.2 | -158.1 | 137.3 | 0 | 0 | 110.4 | P50 H114 E137 H139 T221 F269 R270 | P50-E126 VanDerWaalsContact CB-C 3.43Å; P50-E126 HydrophobicContact CB-CB 3.84Å; P50-E126 WeakPolarHBondContact CB-O 3.29Å; P50-E126 HydrophobicContact CG-CB 3.73Å; P50-E126 HydrophobicContact CG-CG 4.46Å; P50-E126 WeakPolarHBondContact CG-O 3.41Å; H114-E126 HydrophobicContact CB-CG 4.14Å; H114-E126 IonicContact CD2-OE2 3.54Å; H114-E126 IonicContact CE1-OE1 3.84Å; H114-E126 IonicContact CE1-OE2 3.13Å; H114-E126 IonicContact ND1-OE1 2.77Å; H114-E126 IonicContact ND1-OE2 3.36Å; H114-E126 IonicContact NE2-OE2 3.57Å; H114-E126 PolarHBondContact NE2-OE2 3.31Å; E126-E137 WeakPolarHBondContact CA-OE2 3.41Å; E126-E137 PolarHBondContact N-OE2 2.77Å; E126-H139 IonicContact OE2-CE1 3.08Å; E126-H139 PolarHBondContact OE2-CE1 2.85Å; E126-H139 IonicContact OE2-ND1 3.94Å; E126-T221 WeakPolarHBondContact OE1-CB 3.25Å; E126-T221 PolarHBondContact OE1-OG1 3.48Å; E126-T221 WeakPolarHBondContact OE2-CB 3.49Å; E126-T221 WeakPolarHBondContact OE2-CG2 3.35Å; E126-T221 PolarHBondContact OE2-OG1 2.9Å; E126-F269 HydrophobicContact CG-CB 3.55Å; E126-R270 VanDerWaalsContact OE1-CB 3.29Å; E126-R270 WeakPolarHBondContact OE1-CB 3.34Å; E126-R270 PolarHBondContact OE1-N 2.78Å |
| 127 | H | 98.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -77.1 | 150.4 | 173.3 | -67.7 | 88.7 | 0 | 0 | 0 | 111.3 | S125 E137 L167 Y216 W231 M233 | S125-H127 WeakPolarHBondContact CB-O 3.42Å; S125-H127 PolarHBondContact OG-O 3.48Å; H127-E137 IonicContact CE1-OE1 3.71Å; H127-E137 IonicContact CG-OE1 3.48Å; H127-E137 PolarHBondContact N-OE2 2.85Å; H127-E137 IonicContact ND1-OE1 3.93Å; H127-E137 PolarHBondContact ND1-OE1 3.15Å; H127-E137 IonicContact ND1-OE2 3.79Å; H127-L167 HydrophobicContact CB-CD2 4.37Å; H127-Y216 AromaticContact NE2-CE1 3.73Å; H127-Y216 AromaticContact NE2-CZ 3.6Å; H127-Y216 PolarHBondContact NE2-OH 2.96Å; H127-W231 AromaticContact CE1-CD2 3.92Å; H127-W231 AromaticContact CE1-CE3 3.59Å; H127-W231 AromaticContact CE1-CH2 3.86Å; H127-W231 AromaticContact CE1-CZ3 3.55Å; H127-M233 HydrophobicContact CB-CE 3.57Å; H127-M233 HydrophobicContact CB-SD 4.18Å; H127-M233 VanDerWaalsContact CE1-SD 3.55Å; H127-M233 VanDerWaalsContact CG-SD 3.56Å; H127-M233 PolarHBondContact ND1-SD 2.96Å |
| 128 | T | 98.5 | Very high | 93.6 | Very high | 17 Ų | 17 | 44 Ų | 44 | 10% | 0.104 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 157.2 | 171.4 | 61.9 | 0 | 0 | 0 | 0 | 110.5 | D52 V53 R132 T272 | D52-T128 WeakPolarHBondContact CA-OG1 3.41Å; D52-T128 VanDerWaalsContact CB-OG1 3.24Å; D52-T128 WeakPolarHBondContact CB-OG1 3.49Å; D52-T128 VanDerWaalsContact OD1-C 3.3Å; D52-T128 WeakPolarHBondContact OD1-CB 3.49Å; D52-T128 PolarHBondContact OD1-OG1 3.19Å; V53-T128 PolarHBondContact N-O 3.36Å; T128-R132 WeakPolarHBondContact CA-O 3.34Å; T128-R132 WeakPolarHBondContact CB-O 3.26Å; T128-T272 HydrophobicContact CG2-CG2 4.03Å |
| 129 | I | 98 | Very high | 94.2 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 8% | 0.082 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.7 | 171.4 | -60.8 | 178.7 | 0 | 0 | 0 | 108.1 | V53 T55 G131 R132 L167 Y214 | V53-I129 HydrophobicContact CB-CG1 4.31Å; T55-I129 HydrophobicContact CG2-CG2 3.62Å; I129-G131 VanDerWaalsContact C-N 3.28Å; I129-G131 PolarHBondContact O-N 2.87Å; I129-R132 PolarHBondContact N-O 3.14Å; I129-R132 WeakPolarHBondContact O-CB 3.28Å; I129-R132 PolarHBondContact O-N 2.97Å; I129-R132 VanDerWaalsContact O-N 3.11Å; I129-L167 HydrophobicContact CD1-CD1 3.63Å; I129-L167 HydrophobicContact CG1-CD1 3.92Å; I129-Y214 HydrophobicContact CD1-CE2 4.19Å |
| 130 | N | 97.4 | Very high | 94.8 | Very high | 79 Ų | 79 | 41 Ų | 41 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 45.7 | -174.7 | -54.1 | -48.2 | 0 | 0 | 0 | 112.4 | D52 V53 T55 R132 | D52-N130 PolarHBondContact OD1-N 2.82Å; V53-N130 PolarHBondContact O-N 3.27Å; T55-N130 WeakPolarHBondContact CG2-ND2 3.26Å; T55-N130 PolarHBondContact N-OD1 2.95Å; T55-N130 PolarHBondContact OG1-ND2 3.06Å; T55-N130 PolarHBondContact OG1-OD1 2.92Å; N130-R132 PolarHBondContact O-N 3.34Å |
| 131 | G | 96.4 | Very high | 95.8 | Very high | 56 Ų | 56 | 35 Ų | 35 | 58% | 0.577 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 5.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D52 I129 | D52-G131 VanDerWaalsContact CG-N 3.31Å; D52-G131 PolarHBondContact OD1-N 3.02Å; D52-G131 PolarHBondContact OD2-N 3.1Å; D52-G131 VanDerWaalsContact OD2-N 3.14Å; I129-G131 VanDerWaalsContact C-N 3.28Å; I129-G131 PolarHBondContact O-N 2.87Å |
| 132 | R | 95.8 | Very high | 96.9 | Very high | 188 Ų | 188 | 30.6 Ų | 30.6 | 71% | 0.709 | 16% | 0.159 | S | C | * | . | B | Isolated β-bridge | trans | -101.4 | 120.6 | 178.9 | -62.1 | -174.5 | 176.9 | -139.4 | -0.4 | 111 | T128 I129 N130 | T128-R132 WeakPolarHBondContact CA-O 3.34Å; T128-R132 WeakPolarHBondContact CB-O 3.26Å; I129-R132 PolarHBondContact N-O 3.14Å; I129-R132 WeakPolarHBondContact O-CB 3.28Å; I129-R132 PolarHBondContact O-N 2.97Å; I129-R132 VanDerWaalsContact O-N 3.11Å; N130-R132 PolarHBondContact O-N 3.34Å |
| 133 | S | 96.6 | Very high | 97.8 | Very high | 45 Ų | 45 | 24.1 Ų | 24.1 | 32% | 0.315 | 14% | 0.135 | S | C | . | . | P | Polyproline II helix | trans | -80.8 | 149.6 | 169.1 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | G123 S125 | G123-S133 WeakPolarHBondContact CA-OG 3.42Å; S125-S133 PolarHBondContact N-OG 3.07Å; S125-S133 WeakPolarHBondContact OG-CA 3.12Å; S125-S133 PolarHBondContact OG-OG 3.42Å |
| 134 | S | 97.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | P | Polyproline II helix | trans | -99 | 171.1 | 170.8 | -67.2 | 0 | 0 | 0 | 0 | 109.9 | G123 G124 S125 A136 I168 E169 R237 | G123-S134 CarbonylContact C-O 3.59Å; G123-S134 WeakPolarHBondContact CA-O 3.27Å; G124-S134 PolarHBondContact N-O 3.24Å; S125-S134 PolarHBondContact N-O 3.17Å; S125-S134 PolarHBondContact OG-N 3.44Å; S134-A136 VanDerWaalsContact C-N 3.33Å; S134-A136 PolarHBondContact O-N 3.12Å; S134-I168 WeakPolarHBondContact CB-O 2.99Å; S134-E169 PolarHBondContact OG-OE1 3.11Å; S134-R237 PolarHBondContact OG-NE 2.77Å |
| 135 | D | 97.8 | Very high | 98.1 | Very high | 49 Ų | 49 | 24.9 Ų | 24.9 | 26% | 0.262 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -68.3 | -32.2 | -171.7 | -65.5 | -46.7 | 0 | 0 | 0 | 113.2 | G124 I168 T170 L245 | G124-D135 VanDerWaalsContact CA-O 3.29Å; G124-D135 WeakPolarHBondContact CA-O 3.32Å; G124-D135 PolarHBondContact N-O 3.42Å; D135-I168 PolarHBondContact N-O 3.5Å; D135-T170 VanDerWaalsContact OD2-CB 3.28Å; D135-T170 WeakPolarHBondContact OD2-CB 3.43Å; D135-T170 PolarHBondContact OD2-N 3.03Å; D135-T170 PolarHBondContact OD2-OG1 2.82Å; D135-L245 HydrophobicContact CB-CD1 4.11Å; D135-L245 HydrophobicContact CB-CD2 3.81Å |
| 136 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 174.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | H114 W115 S134 I168 L245 M248 | H114-A136 CarbonylContact O-C 3.51Å; H114-A136 WeakPolarHBondContact O-CA 3.39Å; H114-A136 WeakPolarHBondContact O-CB 3.12Å; W115-A136 HydrophobicContact CB-CB 4.17Å; S134-A136 VanDerWaalsContact C-N 3.33Å; S134-A136 PolarHBondContact O-N 3.12Å; A136-I168 HydrophobicContact CB-CB 4.04Å; A136-I168 HydrophobicContact CB-CD1 4.12Å; A136-I168 HydrophobicContact CB-CG2 4.44Å; A136-I168 PolarHBondContact N-O 3.03Å; A136-I168 VanDerWaalsContact N-O 3.17Å; A136-I168 PolarHBondContact O-N 3.41Å; A136-L245 HydrophobicContact CB-CD1 4.43Å; A136-M248 HydrophobicContact CB-SD 4.03Å |
| 137 | E | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 134.2 | 175.1 | -173.2 | 165.6 | 171.9 | 0 | 0 | 111.3 | L113 H114 E126 H127 H139 I166 L167 M233 | L113-E137 CarbonylContact C-O 3.5Å; L113-E137 WeakPolarHBondContact CA-O 3.36Å; H114-E137 HydrophobicContact CB-CB 4.45Å; H114-E137 PolarHBondContact N-O 2.9Å; H114-E137 PolarHBondContact O-N 2.82Å; E126-E137 WeakPolarHBondContact CA-OE2 3.41Å; E126-E137 PolarHBondContact N-OE2 2.77Å; H127-E137 IonicContact CE1-OE1 3.71Å; H127-E137 IonicContact CG-OE1 3.48Å; H127-E137 PolarHBondContact N-OE2 2.85Å; H127-E137 IonicContact ND1-OE1 3.93Å; H127-E137 PolarHBondContact ND1-OE1 3.15Å; H127-E137 IonicContact ND1-OE2 3.79Å; E137-H139 IonicContact OE1-CD2 3.78Å; E137-H139 IonicContact OE1-NE2 3.13Å; E137-H139 PolarHBondContact OE1-NE2 2.95Å; E137-H139 VanDerWaalsContact OE1-NE2 3.13Å; E137-I166 WeakPolarHBondContact CA-O 3.21Å; E137-L167 HydrophobicContact CB-CD2 4.48Å; E137-L167 HydrophobicContact CG-CD2 4.21Å; E137-M233 VanDerWaalsContact OE1-CE 3.31Å; E137-M233 WeakPolarHBondContact OE1-CE 3.4Å |
| 138 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 131.9 | 172.7 | 164.7 | 71.4 | 0 | 0 | 0 | 109.3 | L111 H112 L113 V140 G165 I166 I168 F178 L205 | L111-L138 HydrophobicContact CB-CD1 3.97Å; L111-L138 HydrophobicContact CD1-CD1 4.05Å; L111-L138 HydrophobicContact CG-CD1 4.43Å; H112-L138 WeakPolarHBondContact O-CD1 3.06Å; L113-L138 HydrophobicContact CD2-CB 3.82Å; L113-L138 HydrophobicContact CD2-CD1 4.03Å; L113-L138 HydrophobicContact CG-CD1 4.41Å; L138-V140 HydrophobicContact CD1-CG2 4.47Å; L138-V140 HydrophobicContact CD2-CG2 4.35Å; L138-V140 HydrophobicContact CG-CG2 4.23Å; L138-G165 WeakPolarHBondContact O-CA 3.38Å; L138-I166 HydrophobicContact CB-CB 4.17Å; L138-I166 HydrophobicContact CD2-CB 4.43Å; L138-I166 HydrophobicContact CD2-CD1 4.14Å; L138-I166 HydrophobicContact CD2-CG1 4.39Å; L138-I166 HydrophobicContact CG-CD1 4.17Å; L138-I166 PolarHBondContact N-O 2.86Å; L138-I166 PolarHBondContact O-N 2.76Å; L138-I168 HydrophobicContact CB-CD1 3.99Å; L138-F178 HydrophobicContact CD2-CZ 4.29Å; L138-L205 HydrophobicContact CD2-CB 3.79Å; L138-L205 HydrophobicContact CD2-CD1 4.28Å |
| 139 | H | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.8 | 169.9 | -71.2 | 166.6 | 0 | 0 | 0 | 110.8 | L111 H112 H114 E126 E137 V163 L164 W231 | L111-H139 CarbonylContact C-O 3.38Å; L111-H139 WeakPolarHBondContact CA-O 3.37Å; L111-H139 VanDerWaalsContact CB-O 3.32Å; L111-H139 WeakPolarHBondContact CB-O 3.36Å; H112-H139 WeakPolarHBondContact CE1-CB 3.32Å; H112-H139 AromaticContact CE1-ND1 3.88Å; H112-H139 PolarHBondContact N-O 3.44Å; H112-H139 AromaticContact NE2-CG 3.86Å; H112-H139 AromaticContact NE2-ND1 3.32Å; H112-H139 PolarHBondContact NE2-ND1 2.6Å; H112-H139 PolarHBondContact O-N 3.31Å; H114-H139 AromaticContact CD2-CE1 3.55Å; H114-H139 AromaticContact CD2-ND1 3.41Å; H114-H139 PolarHBondContact CD2-ND1 2.87Å; H114-H139 AromaticContact NE2-CE1 3.46Å; H114-H139 PolarHBondContact NE2-CE1 2.68Å; H114-H139 AromaticContact NE2-ND1 3.11Å; H114-H139 PolarHBondContact NE2-ND1 2.92Å; H114-H139 VanDerWaalsContact NE2-ND1 3.11Å; E126-H139 IonicContact OE2-CE1 3.08Å; E126-H139 PolarHBondContact OE2-CE1 2.85Å; E126-H139 IonicContact OE2-ND1 3.94Å; E137-H139 IonicContact OE1-CD2 3.78Å; E137-H139 IonicContact OE1-NE2 3.13Å; E137-H139 PolarHBondContact OE1-NE2 2.95Å; E137-H139 VanDerWaalsContact OE1-NE2 3.13Å; H139-V163 HydrophobicContact CB-CG1 4.03Å; H139-L164 WeakPolarHBondContact CA-O 3.08Å; H139-W231 AromaticContact CD2-CH2 3.79Å; H139-W231 AromaticContact CD2-CZ3 3.68Å; H139-W231 AromaticContact CE1-CH2 3.41Å; H139-W231 VanDerWaalsContact CE1-CH2 3.41Å; H139-W231 WeakPolarHBondContact CE1-CH2 3.28Å; H139-W231 AromaticContact ND1-CH2 3.89Å; H139-W231 AromaticContact NE2-CH2 3.31Å; H139-W231 VanDerWaalsContact NE2-CH2 3.31Å; H139-W231 WeakPolarHBondContact NE2-CH2 3.45Å; H139-W231 AromaticContact NE2-CZ3 3.42Å; H139-W231 WeakPolarHBondContact NE2-CZ3 3.41Å |
| 140 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 113.1 | 168.8 | -165.2 | 0 | 0 | 0 | 0 | 109.1 | Y72 L93 L111 L138 H142 V163 L164 I166 L206 | Y72-V140 HydrophobicContact CE2-CG1 4.32Å; Y72-V140 WeakPolarHBondContact OH-CG1 3.48Å; L93-V140 HydrophobicContact CD1-CG1 3.72Å; L111-V140 HydrophobicContact CB-CB 4.45Å; L111-V140 HydrophobicContact CB-CG1 4.3Å; L111-V140 HydrophobicContact CB-CG2 4.11Å; L138-V140 HydrophobicContact CD1-CG2 4.47Å; L138-V140 HydrophobicContact CD2-CG2 4.35Å; L138-V140 HydrophobicContact CG-CG2 4.23Å; V140-H142 PolarHBondContact O-CE1 3.4Å; V140-H142 PolarHBondContact O-ND1 3.05Å; V140-V163 WeakPolarHBondContact O-CA 3.48Å; V140-L164 HydrophobicContact CB-CB 4.18Å; V140-L164 PolarHBondContact N-O 3.41Å; V140-L164 PolarHBondContact O-N 3.25Å; V140-I166 HydrophobicContact CG2-CD1 4.19Å; V140-L206 HydrophobicContact CG2-CD2 4.47Å |
| 141 | V | 98.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.3 | -168.4 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | V109 Q110 M151 V163 | V109-V141 PolarHBondContact N-O 3.43Å; Q110-V141 HydrophobicContact CG-CB 4.22Å; Q110-V141 HydrophobicContact CG-CG2 4.46Å; Q110-V141 PolarHBondContact O-N 2.88Å; V141-M151 HydrophobicContact CG1-CE 3.87Å; V141-V163 HydrophobicContact CB-CG2 4.49Å; V141-V163 HydrophobicContact CG1-CG2 4.27Å; V141-V163 HydrophobicContact CG2-CG1 4.47Å; V141-V163 HydrophobicContact CG2-CG2 4.19Å |
| 142 | H | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 157.3 | 176.6 | -48.8 | 72.1 | 0 | 0 | 0 | 110.7 | Y72 F106 T107 A108 V140 L161 A162 | Y72-H142 AromaticContact CZ-NE2 3.72Å; Y72-H142 PolarHBondContact OH-CE1 2.92Å; Y72-H142 PolarHBondContact OH-NE2 3Å; F106-H142 HydrophobicContact CB-CB 3.63Å; F106-H142 HydrophobicContact CD1-CB 4.42Å; F106-H142 HydrophobicContact CG-CB 4.46Å; T107-H142 CarbonylContact O-C 3.53Å; T107-H142 WeakPolarHBondContact O-CA 3.48Å; T107-H142 VanDerWaalsContact O-CB 3.28Å; T107-H142 WeakPolarHBondContact O-CB 3.35Å; A108-H142 VanDerWaalsContact CA-CD2 3.42Å; A108-H142 WeakPolarHBondContact CA-CD2 3.37Å; V140-H142 PolarHBondContact O-CE1 3.4Å; V140-H142 PolarHBondContact O-ND1 3.05Å; H142-L161 VanDerWaalsContact O-CA 3.32Å; H142-L161 WeakPolarHBondContact O-CA 3.27Å; H142-L161 WeakPolarHBondContact O-CD2 3.41Å; H142-A162 HydrophobicContact CB-CB 4.45Å; H142-A162 WeakPolarHBondContact CB-O 3.24Å; H142-A162 PolarHBondContact N-O 3.08Å; H142-A162 PolarHBondContact ND1-O 2.99Å; H142-A162 PolarHBondContact O-N 2.89Å |
| 143 | Y | 98.7 | Very high | 97.7 | Very high | 24 Ų | 24 | 36 Ų | 36 | 9% | 0.094 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 151.7 | 168.3 | 79.2 | -80.2 | 0 | 0 | 0 | 111.4 | F106 T107 V109 A145 M151 A154 G160 | F106-Y143 CarbonylContact C-O 3.31Å; F106-Y143 WeakPolarHBondContact CA-O 3.24Å; F106-Y143 VanDerWaalsContact CD1-C 3.48Å; T107-Y143 HydrophobicContact CG2-CE1 3.8Å; T107-Y143 PolarHBondContact N-O 3.37Å; T107-Y143 PolarHBondContact O-N 3.46Å; V109-Y143 HydrophobicContact CG2-CD1 3.51Å; V109-Y143 HydrophobicContact CG2-CE1 4.2Å; V109-Y143 HydrophobicContact CG2-CG 4.49Å; Y143-A145 HydrophobicContact CD2-CB 4.4Å; Y143-A145 HydrophobicContact CE2-CB 3.78Å; Y143-A145 PolarHBondContact O-N 2.87Å; Y143-M151 HydrophobicContact CD1-CB 4.17Å; Y143-M151 HydrophobicContact CG-CB 4.15Å; Y143-A154 HydrophobicContact CD2-CB 4.3Å; Y143-G160 CarbonylContact C-O 3.57Å; Y143-G160 VanDerWaalsContact CA-O 3.29Å; Y143-G160 WeakPolarHBondContact CA-O 3.33Å |
| 144 | N | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 96.3 | 178.2 | -175.2 | -20.3 | 0 | 0 | 0 | 109.7 | W104 F106 E146 L147 Y148 D159 G160 | W104-N144 VanDerWaalsContact CD2-ND2 3.32Å; W104-N144 VanDerWaalsContact CG-ND2 3.31Å; F106-N144 HydrophobicContact CD1-CB 3.89Å; F106-N144 HydrophobicContact CE1-CB 3.54Å; F106-N144 HydrophobicContact CZ-CB 4.03Å; N144-E146 VanDerWaalsContact C-N 3.31Å; N144-E146 PolarHBondContact OD1-N 3.11Å; N144-L147 WeakPolarHBondContact ND2-CD1 3.31Å; N144-L147 PolarHBondContact OD1-N 2.87Å; N144-Y148 HydrophobicContact CB-CD2 3.99Å; N144-Y148 HydrophobicContact CB-CE2 4.29Å; N144-Y148 PolarHBondContact O-N 3.44Å; N144-D159 VanDerWaalsContact CB-O 3.27Å; N144-D159 WeakPolarHBondContact CB-O 3.35Å; N144-D159 PolarHBondContact ND2-O 3.3Å; N144-D159 VanDerWaalsContact ND2-O 3.11Å; N144-G160 PolarHBondContact N-O 2.96Å |
| 145 | A | 96.8 | Very high | 97.7 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -12 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F105 T107 Y143 | F105-A145 HydrophobicContact CD1-CB 4.37Å; F105-A145 HydrophobicContact CE1-CB 4.48Å; F105-A145 PolarHBondContact O-N 3.32Å; T107-A145 WeakPolarHBondContact OG1-CB 3.47Å; Y143-A145 HydrophobicContact CD2-CB 4.4Å; Y143-A145 HydrophobicContact CE2-CB 3.78Å; Y143-A145 PolarHBondContact O-N 2.87Å |
| 146 | E | 96.2 | Very high | 97.7 | Very high | 115 Ų | 115 | 36.8 Ų | 36.8 | 54% | 0.537 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -35.3 | 171.8 | -67.4 | -172.9 | -173.1 | 0 | 0 | 111.9 | W104 F105 N144 | W104-E146 VanDerWaalsContact CD1-OE2 3.3Å; F105-E146 HydrophobicContact CB-CG 3.88Å; F105-E146 WeakPolarHBondContact CB-OE1 3.46Å; F105-E146 VanDerWaalsContact N-CD 3.28Å; F105-E146 PolarHBondContact N-OE1 2.89Å; N144-E146 VanDerWaalsContact C-N 3.31Å; N144-E146 PolarHBondContact OD1-N 3.11Å |
| 147 | L | 97.8 | Very high | 97.7 | Very high | 81 Ų | 81 | 40.7 Ų | 40.7 | 42% | 0.424 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -28.4 | -175.4 | -61.3 | -172.8 | 0 | 0 | 0 | 113.9 | W104 N144 D159 | W104-L147 HydrophobicContact CD2-CD1 4.42Å; W104-L147 HydrophobicContact CZ2-CD1 4.15Å; N144-L147 WeakPolarHBondContact ND2-CD1 3.31Å; N144-L147 PolarHBondContact OD1-N 2.87Å; L147-D159 WeakPolarHBondContact CD1-OD2 3.47Å |
| 148 | Y | 98.1 | Very high | 97.5 | Very high | 45 Ų | 45 | 51 Ų | 51 | 18% | 0.176 | 27% | 0.268 | C | S | . | . | trans | -127.2 | 142.9 | -170.4 | -54.1 | -66.1 | 0 | 0 | 0 | 112.2 | N144 N150 A154 Q157 D159 | N144-Y148 HydrophobicContact CB-CD2 3.99Å; N144-Y148 HydrophobicContact CB-CE2 4.29Å; N144-Y148 PolarHBondContact O-N 3.44Å; Y148-N150 VanDerWaalsContact C-N 3.28Å; Y148-N150 PolarHBondContact O-N 3.34Å; Y148-A154 HydrophobicContact CD2-CB 3.57Å; Y148-A154 HydrophobicContact CE2-CB 4.45Å; Y148-A154 HydrophobicContact CG-CB 3.77Å; Y148-Q157 HydrophobicContact CD1-CG 4.3Å; Y148-Q157 HydrophobicContact CE1-CB 4.05Å; Y148-Q157 HydrophobicContact CE1-CG 3.59Å; Y148-Q157 HydrophobicContact CE2-CB 3.99Å; Y148-Q157 HydrophobicContact CE2-CG 4.36Å; Y148-Q157 VanDerWaalsContact OH-CB 3.24Å; Y148-Q157 WeakPolarHBondContact OH-CB 3.47Å; Y148-D159 PolarHBondContact OH-OD1 2.86Å | ||
| 149 | P | 96.8 | Very high | 97.3 | Very high | 105 Ų | 105 | 52.9 Ų | 52.9 | 68% | 0.682 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -73.8 | -17 | -175.7 | 29.5 | -36.8 | 0 | 0 | 0 | 114.2 | A153 | P149-A153 HydrophobicContact CG-CB 4.04Š|
| 150 | N | 96.5 | Very high | 97.2 | Very high | 74 Ų | 74 | 52.8 Ų | 52.8 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -167.4 | 167.9 | 178.8 | 53.4 | 65 | 0 | 0 | 0 | 110.8 | Y148 S152 A153 A154 | Y148-N150 VanDerWaalsContact C-N 3.28Å; Y148-N150 PolarHBondContact O-N 3.34Å; N150-S152 VanDerWaalsContact C-N 3.28Å; N150-S152 PolarHBondContact O-N 2.93Å; N150-S152 WeakPolarHBondContact OD1-CB 3.34Å; N150-S152 PolarHBondContact OD1-N 3.22Å; N150-A153 PolarHBondContact O-N 2.85Å; N150-A153 PolarHBondContact OD1-N 3.05Å; N150-A154 PolarHBondContact O-N 3.42Å; N150-A154 VanDerWaalsContact O-N 3.12Å |
| 151 | M | 95.6 | Very high | 97.2 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57 | -37.5 | 178.1 | -174.4 | -171.6 | 179.3 | 0 | 0 | 113.1 | V109 V141 Y143 A153 A154 M155 L161 | V109-M151 HydrophobicContact CB-SD 4.22Å; V109-M151 HydrophobicContact CG1-SD 3.69Å; V109-M151 HydrophobicContact CG2-CB 4.26Å; V109-M151 HydrophobicContact CG2-CG 4.37Å; V109-M151 HydrophobicContact CG2-SD 4.06Å; V141-M151 HydrophobicContact CG1-CE 3.87Å; Y143-M151 HydrophobicContact CD1-CB 4.17Å; Y143-M151 HydrophobicContact CG-CB 4.15Å; M151-A153 PolarHBondContact O-N 2.97Å; M151-A154 PolarHBondContact O-N 2.88Å; M151-M155 WeakPolarHBondContact O-CB 3.47Å; M151-M155 PolarHBondContact O-N 3.22Å; M151-L161 HydrophobicContact CE-CD1 4.48Å; M151-L161 HydrophobicContact CE-CD2 4.32Å; M151-L161 HydrophobicContact CG-CD2 3.98Å |
| 152 | S | 95.6 | Very high | 97.2 | Very high | 87 Ų | 87 | 52.6 Ų | 52.6 | 61% | 0.608 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.4 | -39.1 | -177.7 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | N150 M155 | N150-S152 VanDerWaalsContact C-N 3.28Å; N150-S152 PolarHBondContact O-N 2.93Å; N150-S152 WeakPolarHBondContact OD1-CB 3.34Å; N150-S152 PolarHBondContact OD1-N 3.22Å; S152-M155 WeakPolarHBondContact O-CG 3.42Å |
| 153 | A | 97.6 | Very high | 97.2 | Very high | 37 Ų | 37 | 52.8 Ų | 52.8 | 31% | 0.306 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.3 | -38.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P149 N150 M151 Q157 | P149-A153 HydrophobicContact CG-CB 4.04Å; N150-A153 PolarHBondContact O-N 2.85Å; N150-A153 PolarHBondContact OD1-N 3.05Å; M151-A153 PolarHBondContact O-N 2.97Å; A153-Q157 WeakPolarHBondContact O-CG 3.34Å |
| 154 | A | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.5 | -36.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y143 Y148 N150 M151 T156 Q157 G160 L161 | Y143-A154 HydrophobicContact CD2-CB 4.3Å; Y148-A154 HydrophobicContact CD2-CB 3.57Å; Y148-A154 HydrophobicContact CE2-CB 4.45Å; Y148-A154 HydrophobicContact CG-CB 3.77Å; N150-A154 PolarHBondContact O-N 3.42Å; N150-A154 VanDerWaalsContact O-N 3.12Å; M151-A154 PolarHBondContact O-N 2.88Å; A154-T156 PolarHBondContact O-N 3.04Å; A154-Q157 WeakPolarHBondContact O-CB 3.45Å; A154-Q157 PolarHBondContact O-N 3.02Å; A154-G160 WeakPolarHBondContact CB-O 3.28Å; A154-G160 WeakPolarHBondContact O-CA 3.13Å; A154-L161 HydrophobicContact CB-CD2 4.45Å |
| 155 | M | 96.4 | Very high | 97.3 | Very high | 45 Ų | 45 | 51.6 Ų | 51.6 | 22% | 0.222 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.2 | -165.4 | 73.8 | -171.7 | -53.2 | 0 | 0 | 115.3 | M151 S152 L161 L220 Y226 S228 | M151-M155 WeakPolarHBondContact O-CB 3.47Å; M151-M155 PolarHBondContact O-N 3.22Å; S152-M155 WeakPolarHBondContact O-CG 3.42Å; M155-L161 HydrophobicContact CB-CD1 4.1Å; M155-L161 HydrophobicContact CB-CD2 4.49Å; M155-L220 HydrophobicContact CE-CD1 4.13Å; M155-Y226 HydrophobicContact CE-CD2 4.24Å; M155-Y226 HydrophobicContact CE-CE2 4.32Å; M155-Y226 HydrophobicContact CG-CD2 4.16Å; M155-Y226 HydrophobicContact CG-CE2 4.29Å; M155-Y226 WeakPolarHBondContact O-CB 3.38Å; M155-Y226 WeakPolarHBondContact O-CD2 3.32Å; M155-S228 WeakPolarHBondContact O-CB 3.48Å; M155-S228 PolarHBondContact O-OG 3.04Å |
| 156 | T | 96.8 | Very high | 97.4 | Very high | 69 Ų | 69 | 50 Ų | 50 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -3 | 177.6 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | A154 Y226 | A154-T156 PolarHBondContact O-N 3.04Å; T156-Y226 HydrophobicContact CG2-CD1 4.32Å; T156-Y226 HydrophobicContact CG2-CD2 4.02Å; T156-Y226 HydrophobicContact CG2-CE1 4.04Å; T156-Y226 HydrophobicContact CG2-CE2 3.7Å; T156-Y226 HydrophobicContact CG2-CG 4.33Å |
| 157 | Q | 98.2 | Very high | 97.5 | Very high | 81 Ų | 81 | 44.5 Ų | 44.5 | 38% | 0.379 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -104.2 | 142.5 | -173.5 | -51.5 | -58.2 | -44.3 | 0 | 0 | 110.9 | Y148 A153 A154 D159 G160 S228 | Y148-Q157 HydrophobicContact CD1-CG 4.3Å; Y148-Q157 HydrophobicContact CE1-CB 4.05Å; Y148-Q157 HydrophobicContact CE1-CG 3.59Å; Y148-Q157 HydrophobicContact CE2-CB 3.99Å; Y148-Q157 HydrophobicContact CE2-CG 4.36Å; Y148-Q157 VanDerWaalsContact OH-CB 3.24Å; Y148-Q157 WeakPolarHBondContact OH-CB 3.47Å; A153-Q157 WeakPolarHBondContact O-CG 3.34Å; A154-Q157 WeakPolarHBondContact O-CB 3.45Å; A154-Q157 PolarHBondContact O-N 3.02Å; Q157-D159 PolarHBondContact O-N 2.78Å; Q157-D159 VanDerWaalsContact O-N 3.13Å; Q157-G160 PolarHBondContact O-N 2.69Å; Q157-S228 WeakPolarHBondContact O-CA 3.15Å; Q157-S228 WeakPolarHBondContact O-CB 3.41Å |
| 158 | R | 94.9 | Very high | 97.5 | Very high | 216 Ų | 216 | 40.6 Ų | 40.6 | 82% | 0.815 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.1 | -171 | -72.7 | -173.7 | 176.2 | -157.1 | -0.5 | 114.7 | ||
| 159 | D | 94.9 | Very high | 97.5 | Very high | 40 Ų | 40 | 41.2 Ų | 41.2 | 21% | 0.214 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 17.7 | 179.8 | 53.9 | -3.2 | 0 | 0 | 0 | 111.8 | W104 N144 L147 Y148 Q157 | W104-D159 HydrophobicContact CE3-CB 4.48Å; W104-D159 HydrophobicContact CH2-CB 3.82Å; W104-D159 HydrophobicContact CZ3-CB 3.77Å; N144-D159 VanDerWaalsContact CB-O 3.27Å; N144-D159 WeakPolarHBondContact CB-O 3.35Å; N144-D159 PolarHBondContact ND2-O 3.3Å; N144-D159 VanDerWaalsContact ND2-O 3.11Å; L147-D159 WeakPolarHBondContact CD1-OD2 3.47Å; Y148-D159 PolarHBondContact OH-OD1 2.86Å; Q157-D159 PolarHBondContact O-N 2.78Å; Q157-D159 VanDerWaalsContact O-N 3.13Å |
| 160 | G | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -79.8 | -34.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y143 N144 A154 Q157 | Y143-G160 CarbonylContact C-O 3.57Å; Y143-G160 VanDerWaalsContact CA-O 3.29Å; Y143-G160 WeakPolarHBondContact CA-O 3.33Å; N144-G160 PolarHBondContact N-O 2.96Å; A154-G160 WeakPolarHBondContact CB-O 3.28Å; A154-G160 WeakPolarHBondContact O-CA 3.13Å; Q157-G160 PolarHBondContact O-N 2.69Å |
| 161 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 147.2 | -174.4 | -56.6 | 179.4 | 0 | 0 | 0 | 111.9 | H142 M151 A154 M155 L220 S228 V229 I230 | H142-L161 VanDerWaalsContact O-CA 3.32Å; H142-L161 WeakPolarHBondContact O-CA 3.27Å; H142-L161 WeakPolarHBondContact O-CD2 3.41Å; M151-L161 HydrophobicContact CE-CD1 4.48Å; M151-L161 HydrophobicContact CE-CD2 4.32Å; M151-L161 HydrophobicContact CG-CD2 3.98Å; A154-L161 HydrophobicContact CB-CD2 4.45Å; M155-L161 HydrophobicContact CB-CD1 4.1Å; M155-L161 HydrophobicContact CB-CD2 4.49Å; L161-L220 HydrophobicContact CD1-CD2 3.71Å; L161-L220 HydrophobicContact CD1-CG 4.32Å; L161-S228 PolarHBondContact N-O 3.32Å; L161-V229 HydrophobicContact CB-CG2 4.09Å; L161-V229 HydrophobicContact CD1-CG2 4.11Å; L161-I230 PolarHBondContact O-N 2.88Å |
| 162 | A | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109 | L99 L102 F106 H142 I230 | L99-A162 HydrophobicContact CD2-CB 4.41Å; L102-A162 HydrophobicContact CD2-CB 4.18Å; F106-A162 HydrophobicContact CB-CB 4.43Å; F106-A162 HydrophobicContact CD1-CB 3.42Å; F106-A162 VanDerWaalsContact CD1-CB 3.42Å; F106-A162 HydrophobicContact CD2-CB 4.18Å; F106-A162 HydrophobicContact CE1-CB 3.59Å; F106-A162 HydrophobicContact CE2-CB 4.33Å; F106-A162 HydrophobicContact CG-CB 3.77Å; F106-A162 HydrophobicContact CZ-CB 4.07Å; H142-A162 HydrophobicContact CB-CB 4.45Å; H142-A162 WeakPolarHBondContact CB-O 3.24Å; H142-A162 PolarHBondContact N-O 3.08Å; H142-A162 PolarHBondContact ND1-O 2.99Å; H142-A162 PolarHBondContact O-N 2.89Å; A162-I230 WeakPolarHBondContact CA-O 3Å |
| 163 | V | 98.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.3 | 179.3 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | H139 V140 V141 V229 I230 W231 T232 | H139-V163 HydrophobicContact CB-CG1 4.03Å; V140-V163 WeakPolarHBondContact O-CA 3.48Å; V141-V163 HydrophobicContact CB-CG2 4.49Å; V141-V163 HydrophobicContact CG1-CG2 4.27Å; V141-V163 HydrophobicContact CG2-CG1 4.47Å; V141-V163 HydrophobicContact CG2-CG2 4.19Å; V163-V229 HydrophobicContact CB-CG1 3.77Å; V163-V229 HydrophobicContact CG2-CG1 3.51Å; V163-V229 HydrophobicContact CG2-CG2 4.47Å; V163-I230 PolarHBondContact N-O 3.31Å; V163-I230 VanDerWaalsContact N-O 3.11Å; V163-W231 HydrophobicContact CB-CD2 4.31Å; V163-W231 HydrophobicContact CB-CE3 4.01Å; V163-W231 HydrophobicContact CB-CH2 3.96Å; V163-W231 HydrophobicContact CB-CZ2 4.27Å; V163-W231 HydrophobicContact CB-CZ3 3.85Å; V163-W231 HydrophobicContact CG1-CE3 3.99Å; V163-W231 HydrophobicContact CG1-CH2 3.47Å; V163-W231 VanDerWaalsContact CG1-CH2 3.47Å; V163-W231 HydrophobicContact CG1-CZ2 4.23Å; V163-W231 HydrophobicContact CG1-CZ3 3.34Å; V163-T232 PolarHBondContact O-N 3.09Å |
| 164 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 124 | 166.9 | -58.5 | -176.6 | 0 | 0 | 0 | 108.3 | V67 L99 H139 V140 I166 L206 T232 F234 | V67-L164 HydrophobicContact CG2-CD2 4.44Å; L99-L164 HydrophobicContact CD1-CD1 4.08Å; L99-L164 HydrophobicContact CD1-CD2 4.31Å; L99-L164 HydrophobicContact CD2-CD1 4.43Å; L99-L164 HydrophobicContact CD2-CD2 3.76Å; L99-L164 HydrophobicContact CD2-CG 4.08Å; H139-L164 WeakPolarHBondContact CA-O 3.08Å; V140-L164 HydrophobicContact CB-CB 4.18Å; V140-L164 PolarHBondContact N-O 3.41Å; V140-L164 PolarHBondContact O-N 3.25Å; L164-I166 HydrophobicContact CB-CD1 3.95Å; L164-L206 HydrophobicContact CD1-CD2 4.48Å; L164-T232 WeakPolarHBondContact CA-O 3.4Å; L164-T232 HydrophobicContact CD2-CG2 4.04Å; L164-F234 HydrophobicContact CB-CE2 4.09Å; L164-F234 HydrophobicContact CD1-CE2 4.28Å; L164-F234 HydrophobicContact CD1-CZ 4.45Å; L164-F234 HydrophobicContact CD2-CE2 4.14Å; L164-F234 HydrophobicContact CD2-CZ 4.18Å; L164-F234 HydrophobicContact CG-CE2 4.4Å |
| 165 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L138 T232 M233 F234 | L138-G165 WeakPolarHBondContact O-CA 3.38Å; G165-T232 PolarHBondContact N-O 3.1Å; G165-M233 VanDerWaalsContact CA-SD 3.55Å; G165-F234 PolarHBondContact O-N 2.75Å; G165-F234 VanDerWaalsContact O-N 3.08Å |
| 166 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 110.1 | -177.1 | -57.5 | 77.2 | 0 | 0 | 0 | 107.2 | E137 L138 V140 L164 L206 P207 F234 V238 | E137-I166 WeakPolarHBondContact CA-O 3.21Å; L138-I166 HydrophobicContact CB-CB 4.17Å; L138-I166 HydrophobicContact CD2-CB 4.43Å; L138-I166 HydrophobicContact CD2-CD1 4.14Å; L138-I166 HydrophobicContact CD2-CG1 4.39Å; L138-I166 HydrophobicContact CG-CD1 4.17Å; L138-I166 PolarHBondContact N-O 2.86Å; L138-I166 PolarHBondContact O-N 2.76Å; V140-I166 HydrophobicContact CG2-CD1 4.19Å; L164-I166 HydrophobicContact CB-CD1 3.95Å; I166-L206 HydrophobicContact CD1-CD2 3.84Å; I166-L206 HydrophobicContact CG1-CD2 3.99Å; I166-P207 HydrophobicContact CG2-CG 4.05Å; I166-F234 HydrophobicContact CD1-CD2 4.3Å; I166-F234 HydrophobicContact CD1-CE2 4.29Å; I166-F234 HydrophobicContact CG1-CD2 3.86Å; I166-F234 HydrophobicContact CG1-CE2 4.19Å; I166-V238 HydrophobicContact CG2-CB 4.08Å; I166-V238 HydrophobicContact CG2-CG2 3.55Å |
| 167 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 136.4 | 173.3 | -64.7 | 179.7 | 0 | 0 | 0 | 110.2 | H127 I129 E137 M233 R237 V238 | H127-L167 HydrophobicContact CB-CD2 4.37Å; I129-L167 HydrophobicContact CD1-CD1 3.63Å; I129-L167 HydrophobicContact CG1-CD1 3.92Å; E137-L167 HydrophobicContact CB-CD2 4.48Å; E137-L167 HydrophobicContact CG-CD2 4.21Å; L167-M233 HydrophobicContact CD2-CE 4.09Å; L167-M233 HydrophobicContact CG-CE 4.04Å; L167-R237 HydrophobicContact CB-CG 3.97Å; L167-R237 VanDerWaalsContact O-CA 3.32Å; L167-R237 WeakPolarHBondContact O-CA 3.27Å; L167-V238 PolarHBondContact O-N 2.89Å |
| 168 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 131.1 | -176.8 | -58.5 | 162 | 0 | 0 | 0 | 109.6 | L113 S134 D135 A136 L138 F178 V238 I240 | L113-I168 HydrophobicContact CD2-CD1 3.86Å; S134-I168 WeakPolarHBondContact CB-O 2.99Å; D135-I168 PolarHBondContact N-O 3.5Å; A136-I168 HydrophobicContact CB-CB 4.04Å; A136-I168 HydrophobicContact CB-CD1 4.12Å; A136-I168 HydrophobicContact CB-CG2 4.44Å; A136-I168 PolarHBondContact N-O 3.03Å; A136-I168 VanDerWaalsContact N-O 3.17Å; A136-I168 PolarHBondContact O-N 3.41Å; L138-I168 HydrophobicContact CB-CD1 3.99Å; I168-F178 HydrophobicContact CD1-CE1 3.51Å; I168-F178 HydrophobicContact CD1-CZ 3.52Å; I168-F178 HydrophobicContact CG1-CE1 4.39Å; I168-F178 HydrophobicContact CG1-CZ 3.96Å; I168-V238 CarbonylContact C-O 3.56Å; I168-V238 VanDerWaalsContact CA-O 3.24Å; I168-V238 WeakPolarHBondContact CA-O 3.42Å; I168-I240 HydrophobicContact CG2-CB 4.34Å; I168-I240 HydrophobicContact CG2-CD1 3.74Å; I168-I240 HydrophobicContact CG2-CG1 3.65Å; I168-I240 HydrophobicContact CG2-CG2 3.89Å |
| 169 | E | 97.4 | Very high | 97.9 | Very high | 57 Ų | 57 | 34.5 Ų | 34.5 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 155 | 175 | -74.4 | -177.7 | 166 | 0 | 0 | 111.7 | S134 G171 R237 V238 Q239 I240 | S134-E169 PolarHBondContact OG-OE1 3.11Å; E169-G171 PolarHBondContact O-N 3.23Å; E169-R237 WeakPolarHBondContact OE1-CD 3.3Å; E169-R237 IonicContact OE1-CZ 2.72Å; E169-R237 IonicContact OE1-NE 3.74Å; E169-R237 PolarHBondContact OE1-NE 3.27Å; E169-R237 VanDerWaalsContact OE1-NE 3.13Å; E169-R237 IonicContact OE1-NH1 3.98Å; E169-R237 PolarHBondContact OE1-NH1 3.38Å; E169-R237 IonicContact OE1-NH2 3.56Å; E169-R237 VanDerWaalsContact OE2-CD 3.26Å; E169-R237 WeakPolarHBondContact OE2-CD 3.44Å; E169-R237 IonicContact OE2-NH1 3Å; E169-R237 PolarHBondContact OE2-NH1 3.48Å; E169-V238 PolarHBondContact N-O 2.62Å; E169-Q239 CarbonylContact O-C 3.6Å; E169-Q239 VanDerWaalsContact O-CA 3.23Å; E169-Q239 WeakPolarHBondContact O-CA 3.34Å; E169-I240 PolarHBondContact O-N 2.94Å |
| 170 | T | 96.6 | Very high | 98 | Very high | 52 Ų | 52 | 35.2 Ų | 35.2 | 32% | 0.319 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 122.9 | 172.6 | -54.2 | 0 | 0 | 0 | 0 | 109.1 | D135 I240 K242 L245 | D135-T170 VanDerWaalsContact OD2-CB 3.28Å; D135-T170 WeakPolarHBondContact OD2-CB 3.43Å; D135-T170 PolarHBondContact OD2-N 3.03Å; D135-T170 PolarHBondContact OD2-OG1 2.82Å; T170-I240 CarbonylContact C-O 3.54Å; T170-I240 WeakPolarHBondContact CA-O 3.49Å; T170-K242 HydrophobicContact CG2-CB 3.81Å; T170-K242 HydrophobicContact CG2-CD 4.13Å; T170-L245 VanDerWaalsContact OG1-CD2 3.27Å; T170-L245 WeakPolarHBondContact OG1-CD2 3.27Å |
| 171 | G | 96.2 | Very high | 98 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | -177.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E169 I240 | E169-G171 PolarHBondContact O-N 3.23Å; G171-I240 PolarHBondContact N-O 2.72Å |
| 172 | D | 95.8 | Very high | 98 | Very high | 163 Ų | 163 | 35.3 Ų | 35.3 | 87% | 0.872 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -77.9 | -32.4 | -179.4 | -62.1 | -40.9 | 0 | 0 | 0 | 112.3 | ||
| 173 | E | 97.4 | Very high | 98 | Very high | 153 Ų | 153 | 39.1 Ų | 39.1 | 72% | 0.715 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -92.7 | 146.6 | -171.9 | -66.3 | -61.2 | 158.1 | 0 | 0 | 113.2 | S241 | E173-S241 WeakPolarHBondContact O-CB 3.28Å; E173-S241 PolarHBondContact O-N 2.99Å |
| 174 | T | 98.2 | Very high | 97.9 | Very high | 75 Ų | 75 | 41.5 Ų | 41.5 | 46% | 0.46 | 23% | 0.226 | S | C | . | . | trans | -74.2 | 129.4 | 171.1 | -67.3 | 0 | 0 | 0 | 0 | 109.8 | P176 N179 S241 | T174-P176 VanDerWaalsContact O-CD 3.28Å; T174-P176 WeakPolarHBondContact O-CD 3.42Å; T174-N179 WeakPolarHBondContact CG2-ND2 3.32Å; T174-S241 PolarHBondContact OG1-OG 2.82Å | ||
| 175 | N | 98.5 | Very high | 97.9 | Very high | 27 Ų | 27 | 41.5 Ų | 41.5 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | trans | -87.5 | 112.2 | 176.5 | -173 | -46 | 0 | 0 | 0 | 111 | G177 F178 N179 V238 Q239 I240 Q244 | N175-G177 VanDerWaalsContact C-N 3.31Å; N175-G177 PolarHBondContact O-N 3.26Å; N175-G177 WeakPolarHBondContact OD1-CA 3.31Å; N175-G177 PolarHBondContact OD1-N 3.14Å; N175-F178 HydrophobicContact CB-CB 4.39Å; N175-F178 HydrophobicContact CB-CD2 4.39Å; N175-F178 PolarHBondContact O-N 2.94Å; N175-F178 PolarHBondContact OD1-N 3.29Å; N175-N179 PolarHBondContact O-N 3.19Å; N175-V238 VanDerWaalsContact ND2-CG1 3.34Å; N175-V238 WeakPolarHBondContact ND2-CG1 3.2Å; N175-Q239 VanDerWaalsContact CB-O 3.3Å; N175-Q239 WeakPolarHBondContact CB-O 3.27Å; N175-Q239 PolarHBondContact ND2-O 2.81Å; N175-I240 HydrophobicContact CB-CB 4.48Å; N175-I240 HydrophobicContact CB-CG2 4Å; N175-Q244 PolarHBondContact O-NE2 3.4Å | ||
| 176 | P | 98.1 | Very high | 97.8 | Very high | 98 Ų | 98 | 44.8 Ų | 44.8 | 64% | 0.636 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.9 | -30.4 | -177.9 | -21.7 | 35.2 | 0 | 0 | 0 | 113.8 | T174 N179 N180 | T174-P176 VanDerWaalsContact O-CD 3.28Å; T174-P176 WeakPolarHBondContact O-CD 3.42Å; P176-N179 WeakPolarHBondContact O-CB 3.31Å; P176-N179 PolarHBondContact O-N 3.29Å; P176-N180 PolarHBondContact O-ND2 2.82Å |
| 177 | G | 97.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N175 N179 N180 S204 L205 | N175-G177 VanDerWaalsContact C-N 3.31Å; N175-G177 PolarHBondContact O-N 3.26Å; N175-G177 WeakPolarHBondContact OD1-CA 3.31Å; N175-G177 PolarHBondContact OD1-N 3.14Å; G177-N179 VanDerWaalsContact C-N 3.26Å; G177-N179 PolarHBondContact O-N 3.49Å; G177-N180 WeakPolarHBondContact O-CB 3.42Å; G177-N180 PolarHBondContact O-N 3.46Å; G177-N180 PolarHBondContact O-ND2 2.96Å; G177-S204 VanDerWaalsContact CA-OG 3.29Å; G177-S204 WeakPolarHBondContact CA-OG 3.36Å; G177-L205 WeakPolarHBondContact O-CD2 3.48Å |
| 178 | F | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.8 | -23.9 | 178.4 | -84.7 | -98.6 | 0 | 0 | 0 | 113.6 | L113 L138 I168 N175 N180 I181 L182 L205 V238 I240 M248 | L113-F178 HydrophobicContact CD2-CE1 3.98Å; L138-F178 HydrophobicContact CD2-CZ 4.29Å; I168-F178 HydrophobicContact CD1-CE1 3.51Å; I168-F178 HydrophobicContact CD1-CZ 3.52Å; I168-F178 HydrophobicContact CG1-CE1 4.39Å; I168-F178 HydrophobicContact CG1-CZ 3.96Å; N175-F178 HydrophobicContact CB-CB 4.39Å; N175-F178 HydrophobicContact CB-CD2 4.39Å; N175-F178 PolarHBondContact O-N 2.94Å; N175-F178 PolarHBondContact OD1-N 3.29Å; F178-N180 PolarHBondContact O-N 2.91Å; F178-I181 PolarHBondContact O-N 3.25Å; F178-I181 VanDerWaalsContact O-N 3.08Å; F178-L182 HydrophobicContact CB-CD1 4Å; F178-L182 HydrophobicContact CB-CG 4.39Å; F178-L182 HydrophobicContact CD1-CD1 4.45Å; F178-L182 WeakPolarHBondContact O-CB 3.41Å; F178-L182 VanDerWaalsContact O-CG 3.3Å; F178-L182 WeakPolarHBondContact O-CG 3.48Å; F178-L182 PolarHBondContact O-N 3.49Å; F178-L205 HydrophobicContact CD2-CD2 3.81Å; F178-L205 HydrophobicContact CE2-CB 4.42Å; F178-L205 HydrophobicContact CE2-CD2 3.99Å; F178-L205 HydrophobicContact CG-CD2 4.15Å; F178-L205 HydrophobicContact CZ-CD2 4.49Å; F178-V238 HydrophobicContact CD2-CG1 4.38Å; F178-V238 HydrophobicContact CE2-CG1 3.72Å; F178-I240 HydrophobicContact CB-CG2 4.1Å; F178-I240 HydrophobicContact CD1-CG2 4.02Å; F178-I240 HydrophobicContact CD2-CG2 3.76Å; F178-I240 HydrophobicContact CE1-CG2 4.42Å; F178-I240 HydrophobicContact CE2-CG2 4.2Å; F178-I240 HydrophobicContact CG-CG2 3.66Å; F178-M248 HydrophobicContact CD1-CE 3.92Å; F178-M248 HydrophobicContact CE1-CE 3.99Å |
| 179 | N | 98.2 | Very high | 97.7 | Very high | 38 Ų | 38 | 56 Ų | 56 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.1 | -25.7 | 175.3 | -77.3 | -22.7 | 0 | 0 | 0 | 113 | T174 N175 P176 G177 I181 N183 Q244 | T174-N179 WeakPolarHBondContact CG2-ND2 3.32Å; N175-N179 PolarHBondContact O-N 3.19Å; P176-N179 WeakPolarHBondContact O-CB 3.31Å; P176-N179 PolarHBondContact O-N 3.29Å; G177-N179 VanDerWaalsContact C-N 3.26Å; G177-N179 PolarHBondContact O-N 3.49Å; N179-I181 PolarHBondContact O-N 3.23Å; N179-N183 VanDerWaalsContact O-CB 3.26Å; N179-N183 WeakPolarHBondContact O-CB 3.36Å; N179-N183 PolarHBondContact O-N 2.81Å; N179-N183 PolarHBondContact O-ND2 2.98Å; N179-Q244 PolarHBondContact OD1-NE2 3.17Å |
| 180 | N | 97.4 | Very high | 97.7 | Very high | 55 Ų | 55 | 53.7 Ų | 53.7 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.5 | -19.9 | 176.1 | -63 | -58.5 | 0 | 0 | 0 | 113.1 | P176 G177 F178 Y184 F200 | P176-N180 PolarHBondContact O-ND2 2.82Å; G177-N180 WeakPolarHBondContact O-CB 3.42Å; G177-N180 PolarHBondContact O-N 3.46Å; G177-N180 PolarHBondContact O-ND2 2.96Å; F178-N180 PolarHBondContact O-N 2.91Å; N180-Y184 VanDerWaalsContact O-CD2 3.25Å; N180-Y184 WeakPolarHBondContact O-CD2 3.42Å; N180-F200 HydrophobicContact CB-CB 3.83Å; N180-F200 HydrophobicContact CB-CD1 3.67Å; N180-F200 HydrophobicContact CB-CD2 3.73Å; N180-F200 HydrophobicContact CB-CE1 4.13Å; N180-F200 HydrophobicContact CB-CE2 4.21Å; N180-F200 HydrophobicContact CB-CG 3.46Å; N180-F200 VanDerWaalsContact CB-CG 3.46Å; N180-F200 HydrophobicContact CB-CZ 4.4Å |
| 181 | I | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -106.8 | -54.8 | 175.9 | -57.6 | 172.1 | 0 | 0 | 0 | 109.6 | M82 V89 V91 L111 L113 F178 N179 N183 Y184 M185 F200 L205 | M82-I181 HydrophobicContact SD-CG2 4.09Å; V89-I181 HydrophobicContact CG2-CG2 4.4Å; V91-I181 HydrophobicContact CG2-CD1 4.26Å; V91-I181 HydrophobicContact CG2-CG1 4.18Å; V91-I181 HydrophobicContact CG2-CG2 4.35Å; L111-I181 HydrophobicContact CD1-CD1 3.64Å; L113-I181 HydrophobicContact CD1-CG2 4.48Å; F178-I181 PolarHBondContact O-N 3.25Å; F178-I181 VanDerWaalsContact O-N 3.08Å; N179-I181 PolarHBondContact O-N 3.23Å; I181-N183 VanDerWaalsContact C-N 3.27Å; I181-N183 PolarHBondContact O-N 2.83Å; I181-Y184 PolarHBondContact O-N 2.63Å; I181-M185 PolarHBondContact O-N 3.01Å; I181-F200 HydrophobicContact CD1-CZ 4.08Å; I181-F200 HydrophobicContact CG1-CE1 4.25Å; I181-F200 HydrophobicContact CG1-CZ 3.88Å; I181-L205 HydrophobicContact CD1-CD1 3.85Å |
| 182 | L | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.2 | -26.6 | -168.8 | -60.2 | -178 | 0 | 0 | 0 | 113.7 | F178 Y184 M185 Q244 K247 M248 | F178-L182 HydrophobicContact CB-CD1 4Å; F178-L182 HydrophobicContact CB-CG 4.39Å; F178-L182 HydrophobicContact CD1-CD1 4.45Å; F178-L182 WeakPolarHBondContact O-CB 3.41Å; F178-L182 VanDerWaalsContact O-CG 3.3Å; F178-L182 WeakPolarHBondContact O-CG 3.48Å; F178-L182 PolarHBondContact O-N 3.49Å; L182-Y184 PolarHBondContact O-N 2.96Å; L182-M185 HydrophobicContact CD2-CE 3.45Å; L182-M185 VanDerWaalsContact CD2-CE 3.45Å; L182-M185 HydrophobicContact CD2-SD 3.59Å; L182-M185 VanDerWaalsContact CD2-SD 3.59Å; L182-Q244 HydrophobicContact CD1-CB 3.55Å; L182-Q244 HydrophobicContact CD1-CG 3.9Å; L182-K247 HydrophobicContact CB-CD 4.07Å; L182-M248 HydrophobicContact CD1-CE 4.25Å; L182-M248 HydrophobicContact CD2-CE 3.78Å; L182-M248 HydrophobicContact CD2-CG 3.75Å |
| 183 | N | 97.8 | Very high | 97.9 | Very high | 80 Ų | 80 | 50.9 Ų | 50.9 | 43% | 0.428 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -17.7 | 176.6 | -72.6 | -16.8 | 0 | 0 | 0 | 113.4 | N179 I181 K247 | N179-N183 VanDerWaalsContact O-CB 3.26Å; N179-N183 WeakPolarHBondContact O-CB 3.36Å; N179-N183 PolarHBondContact O-N 2.81Å; N179-N183 PolarHBondContact O-ND2 2.98Å; I181-N183 VanDerWaalsContact C-N 3.27Å; I181-N183 PolarHBondContact O-N 2.83Å; N183-K247 PolarHBondContact OD1-NZ 3Å |
| 184 | Y | 98.2 | Very high | 97.9 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 22% | 0.216 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -8.7 | -176.1 | -64.7 | -82.9 | 0 | 0 | 0 | 113.4 | M82 N180 I181 L182 S186 R187 I197 P198 | M82-Y184 WeakPolarHBondContact CE-O 3.4Å; N180-Y184 VanDerWaalsContact O-CD2 3.25Å; N180-Y184 WeakPolarHBondContact O-CD2 3.42Å; I181-Y184 PolarHBondContact O-N 2.63Å; L182-Y184 PolarHBondContact O-N 2.96Å; Y184-S186 PolarHBondContact O-N 2.77Å; Y184-R187 VanDerWaalsContact O-CB 3.3Å; Y184-R187 WeakPolarHBondContact O-CB 3.37Å; Y184-R187 PolarHBondContact O-N 2.82Å; Y184-I197 VanDerWaalsContact CB-CG2 3.46Å; Y184-I197 HydrophobicContact CD1-CG2 3.83Å; Y184-I197 HydrophobicContact CD2-CB 4.19Å; Y184-I197 HydrophobicContact CD2-CG2 3.83Å; Y184-I197 HydrophobicContact CE2-CB 4.49Å; Y184-I197 HydrophobicContact CG-CB 4.22Å; Y184-I197 HydrophobicContact CG-CG2 3.43Å; Y184-I197 VanDerWaalsContact CG-CG2 3.43Å; Y184-P198 VanDerWaalsContact CZ-CD 3.49Å; Y184-P198 WeakPolarHBondContact OH-CD 3.42Å; Y184-P198 WeakPolarHBondContact OH-CG 3.34Å |
| 185 | M | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -53.2 | -30.3 | 179.5 | -80.8 | 179.6 | 161.2 | 0 | 0 | 113.4 | V89 L113 I181 L182 R187 I188 M248 M251 L252 | V89-M185 HydrophobicContact CB-CE 4.3Å; V89-M185 HydrophobicContact CG1-CE 3.57Å; L113-M185 HydrophobicContact CD1-CE 4.32Å; I181-M185 PolarHBondContact O-N 3.01Å; L182-M185 HydrophobicContact CD2-CE 3.45Å; L182-M185 VanDerWaalsContact CD2-CE 3.45Å; L182-M185 HydrophobicContact CD2-SD 3.59Å; L182-M185 VanDerWaalsContact CD2-SD 3.59Å; M185-R187 PolarHBondContact O-N 3.28Å; M185-R187 VanDerWaalsContact O-N 3.09Å; M185-I188 CarbonylContact O-C 3.44Å; M185-I188 WeakPolarHBondContact O-CG1 3.16Å; M185-I188 PolarHBondContact O-N 2.84Å; M185-M248 HydrophobicContact CE-CG 4.23Å; M185-M251 VanDerWaalsContact C-SD 3.57Å; M185-M251 HydrophobicContact CB-CG 4.06Å; M185-M251 HydrophobicContact CB-SD 3.35Å; M185-M251 WeakPolarHBondContact CB-SD 3.48Å; M185-L252 HydrophobicContact CB-CD2 4.16Å; M185-L252 HydrophobicContact CE-CD1 4.24Å; M185-L252 HydrophobicContact CG-CD2 4.46Å |
| 186 | S | 97.4 | Very high | 97.9 | Very high | 69 Ų | 69 | 53 Ų | 53 | 48% | 0.483 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -64 | -14.5 | 177.4 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | Y184 R189 M251 | Y184-S186 PolarHBondContact O-N 2.77Å; S186-R189 WeakPolarHBondContact O-CG 3.29Å; S186-M251 PolarHBondContact N-SD 2.04Å |
| 187 | R | 98.2 | Very high | 97.8 | Very high | 139 Ų | 139 | 48.3 Ų | 48.3 | 53% | 0.525 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -86.1 | -12.6 | 175.8 | -57.8 | -177.9 | 177.7 | -175.8 | -3.5 | 113.5 | Y184 M185 A195 | Y184-R187 VanDerWaalsContact O-CB 3.3Å; Y184-R187 WeakPolarHBondContact O-CB 3.37Å; Y184-R187 PolarHBondContact O-N 2.82Å; M185-R187 PolarHBondContact O-N 3.28Å; M185-R187 VanDerWaalsContact O-N 3.09Å; R187-A195 HydrophobicContact CB-CB 3.77Å |
| 188 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -132 | 37 | -175.1 | 57.9 | 161.2 | 0 | 0 | 0 | 111.9 | M82 N84 V89 M185 H190 Q193 A195 L252 | M82-I188 HydrophobicContact CE-CD1 3.66Å; M82-I188 HydrophobicContact CE-CG1 3.84Å; M82-I188 HydrophobicContact CE-CG2 4.35Å; M82-I188 HydrophobicContact CG-CD1 3.84Å; M82-I188 HydrophobicContact SD-CD1 4.02Å; N84-I188 HydrophobicContact CB-CB 4.16Å; N84-I188 HydrophobicContact CB-CD1 4.18Å; N84-I188 HydrophobicContact CB-CG1 4.45Å; N84-I188 WeakPolarHBondContact CB-O 3.2Å; N84-I188 PolarHBondContact ND2-O 3.4Å; N84-I188 VanDerWaalsContact ND2-O 3.16Å; V89-I188 HydrophobicContact CB-CD1 4.33Å; V89-I188 HydrophobicContact CG2-CD1 3.64Å; M185-I188 CarbonylContact O-C 3.44Å; M185-I188 WeakPolarHBondContact O-CG1 3.16Å; M185-I188 PolarHBondContact O-N 2.84Å; I188-H190 PolarHBondContact O-N 2.64Å; I188-Q193 VanDerWaalsContact C-OE1 3.26Å; I188-Q193 HydrophobicContact CB-CB 4.16Å; I188-Q193 HydrophobicContact CG2-CB 4.29Å; I188-Q193 WeakPolarHBondContact CG2-O 3.49Å; I188-A195 HydrophobicContact CG2-CB 3.76Å; I188-L252 HydrophobicContact CG1-CD2 4.2Å; I188-L252 WeakPolarHBondContact O-CD2 3.36Å |
| 189 | R | 97.8 | Very high | 97.7 | Very high | 95 Ų | 95 | 52.5 Ų | 52.5 | 36% | 0.358 | 26% | 0.255 | S | S | . | . | trans | -57.6 | -34.2 | -172.1 | -65.9 | -175.6 | 70.3 | -168 | 1.9 | 113.6 | N84 S186 L252 Y253 | N84-R189 PolarHBondContact ND2-O 3.13Å; S186-R189 WeakPolarHBondContact O-CG 3.29Å; R189-L252 CarbonylContact O-C 3.46Å; R189-L252 WeakPolarHBondContact O-CA 3.46Å; R189-Y253 HydrophobicContact CB-CD2 4.28Å; R189-Y253 PolarHBondContact NH2-OH 2.61Å; R189-Y253 VanDerWaalsContact NH2-OH 3.14Å; R189-Y253 WeakPolarHBondContact O-CD2 3.35Å; R189-Y253 PolarHBondContact O-N 2.86Å | ||
| 190 | H | 97.8 | Very high | 97.6 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 5% | 0.046 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -108.6 | 157.3 | -177.2 | -63.5 | -81.9 | 0 | 0 | 0 | 111.3 | N84 I188 Q193 Y253 I257 | N84-H190 VanDerWaalsContact ND2-C 3.34Å; N84-H190 PolarHBondContact ND2-O 3.46Å; I188-H190 PolarHBondContact O-N 2.64Å; H190-Q193 HydrophobicContact CB-CG 4.24Å; H190-Q193 VanDerWaalsContact O-CB 3.28Å; H190-Q193 WeakPolarHBondContact O-CB 3.49Å; H190-Q193 WeakPolarHBondContact O-CG 3.05Å; H190-Q193 PolarHBondContact O-N 3.41Å; H190-Y253 AromaticContact CE1-CD2 3.48Å; H190-Y253 VanDerWaalsContact CE1-CD2 3.48Å; H190-Y253 WeakPolarHBondContact CE1-CD2 3.26Å; H190-Y253 AromaticContact CE1-CE2 3.97Å; H190-Y253 AromaticContact ND1-CD2 3.79Å; H190-Y253 AromaticContact NE2-CD2 3.97Å; H190-I257 HydrophobicContact CB-CB 4.1Å |
| 191 | S | 96.8 | Very high | 97.5 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 149.8 | 174.6 | -174 | 0 | 0 | 0 | 0 | 111.7 | G86 Q193 S254 S255 | G86-S191 WeakPolarHBondContact CA-OG 3.32Å; G86-S191 PolarHBondContact N-OG 3.11Å; S191-Q193 PolarHBondContact O-N 3.08Å; S191-Q193 VanDerWaalsContact O-N 3.16Å; S191-S254 VanDerWaalsContact CB-O 3.28Å; S191-S254 WeakPolarHBondContact CB-O 3.41Å; S191-S255 PolarHBondContact N-O 3.14Å; S191-S255 VanDerWaalsContact N-O 3.07Å |
| 192 | D | 96.2 | Very high | 97.5 | Very high | 100 Ų | 100 | 50.3 Ų | 50.3 | 54% | 0.535 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | -1.6 | -174.4 | -59.7 | -31.9 | 0 | 0 | 0 | 115.9 | N84 K256 | N84-D192 PolarHBondContact O-N 3.28Å; D192-K256 WeakPolarHBondContact OD2-CD 3.16Å; D192-K256 WeakPolarHBondContact OD2-CE 3.47Å; D192-K256 IonicContact OD2-NZ 3.63Å; D192-K256 PolarHBondContact OD2-NZ 2.83Å |
| 193 | Q | 98.2 | Very high | 97.5 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | trans | -74.4 | 137.9 | 175.2 | -65.6 | -171.6 | -39.1 | 0 | 0 | 111.5 | H83 N84 I188 H190 S191 | H83-Q193 VanDerWaalsContact CA-O 3.27Å; H83-Q193 WeakPolarHBondContact CA-O 3.37Å; H83-Q193 WeakPolarHBondContact CB-O 3.16Å; N84-Q193 PolarHBondContact N-O 2.91Å; I188-Q193 VanDerWaalsContact C-OE1 3.26Å; I188-Q193 HydrophobicContact CB-CB 4.16Å; I188-Q193 HydrophobicContact CG2-CB 4.29Å; I188-Q193 WeakPolarHBondContact CG2-O 3.49Å; H190-Q193 HydrophobicContact CB-CG 4.24Å; H190-Q193 VanDerWaalsContact O-CB 3.28Å; H190-Q193 WeakPolarHBondContact O-CB 3.49Å; H190-Q193 WeakPolarHBondContact O-CG 3.05Å; H190-Q193 PolarHBondContact O-N 3.41Å; S191-Q193 PolarHBondContact O-N 3.08Å; S191-Q193 VanDerWaalsContact O-N 3.16Å | ||
| 194 | R | 98.5 | Very high | 97.4 | Very high | 144 Ų | 144 | 52.5 Ų | 52.5 | 54% | 0.543 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 148.8 | 176.9 | -55.5 | -160.5 | 158.4 | -133.2 | -2 | 111 | M82 H83 E92 | M82-R194 CarbonylContact O-C 3.41Å; M82-R194 WeakPolarHBondContact O-CA 3.24Å; H83-R194 HydrophobicContact CB-CB 4.18Å; H83-R194 HydrophobicContact CB-CG 3.65Å; E92-R194 IonicContact OE1-CZ 3.72Å; E92-R194 IonicContact OE1-NH1 3.66Å; E92-R194 PolarHBondContact OE1-NH1 3.33Å; E92-R194 IonicContact OE1-NH2 3.9Å; E92-R194 IonicContact OE2-NH1 2.81Å |
| 195 | A | 98.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 12% | 0.116 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | M82 R187 I188 | M82-A195 PolarHBondContact N-O 2.98Å; M82-A195 PolarHBondContact O-N 2.98Å; M82-A195 VanDerWaalsContact O-O 3.07Å; R187-A195 HydrophobicContact CB-CB 3.77Å; I188-A195 HydrophobicContact CG2-CB 3.76Å |
| 196 | F | 98.1 | Very high | 97.5 | Very high | 141 Ų | 141 | 50.5 Ų | 50.5 | 62% | 0.618 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 136.7 | 167 | -67.3 | -70.1 | 0 | 0 | 0 | 110.1 | P79 F80 | P79-F196 HydrophobicContact CB-CB 4.14Å; P79-F196 HydrophobicContact CB-CD1 4.48Å; P79-F196 HydrophobicContact CG-CB 4.36Å; P79-F196 HydrophobicContact CG-CD1 4.22Å; P79-F196 HydrophobicContact CG-CG 4.46Å; F80-F196 WeakPolarHBondContact O-CA 3.48Å |
| 197 | I | 96.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 149.4 | 175 | 63.3 | 175.8 | 0 | 0 | 0 | 109.4 | P79 F80 M82 V91 Y184 A199 F200 | P79-I197 CarbonylContact C-O 3.53Å; P79-I197 VanDerWaalsContact CA-O 3.28Å; P79-I197 WeakPolarHBondContact CA-O 3.12Å; P79-I197 WeakPolarHBondContact CB-O 3.35Å; F80-I197 HydrophobicContact CB-CD1 4.42Å; F80-I197 HydrophobicContact CB-CG1 3.93Å; F80-I197 PolarHBondContact N-O 2.89Å; F80-I197 PolarHBondContact O-N 3.26Å; M82-I197 HydrophobicContact CB-CD1 4.14Å; M82-I197 HydrophobicContact CB-CG1 4.38Å; M82-I197 HydrophobicContact CB-CG2 4.17Å; M82-I197 HydrophobicContact CE-CG2 3.85Å; M82-I197 HydrophobicContact SD-CD1 4.3Å; M82-I197 HydrophobicContact SD-CG2 4.22Å; V91-I197 HydrophobicContact CG1-CD1 4.24Å; V91-I197 HydrophobicContact CG2-CD1 4.26Å; Y184-I197 VanDerWaalsContact CB-CG2 3.46Å; Y184-I197 HydrophobicContact CD1-CG2 3.83Å; Y184-I197 HydrophobicContact CD2-CB 4.19Å; Y184-I197 HydrophobicContact CD2-CG2 3.83Å; Y184-I197 HydrophobicContact CE2-CB 4.49Å; Y184-I197 HydrophobicContact CG-CB 4.22Å; Y184-I197 HydrophobicContact CG-CG2 3.43Å; Y184-I197 VanDerWaalsContact CG-CG2 3.43Å; I197-A199 PolarHBondContact O-N 2.72Å; I197-F200 HydrophobicContact CD1-CD1 4.43Å; I197-F200 HydrophobicContact CD1-CE1 3.92Å |
| 198 | P | 96.5 | Very high | 97.4 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 47% | 0.468 | 24% | 0.244 | S | C | . | . | trans | -54.2 | 138.5 | 172.5 | -22.9 | 34.4 | 0 | 0 | 0 | 110 | Y184 | Y184-P198 VanDerWaalsContact CZ-CD 3.49Å; Y184-P198 WeakPolarHBondContact OH-CD 3.42Å; Y184-P198 WeakPolarHBondContact OH-CG 3.34Å | ||
| 199 | A | 95.9 | Very high | 97.3 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 17% | 0.165 | 26% | 0.26 | C | S | . | . | trans | -66.8 | 146.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | H75 Q78 F80 I197 | H75-A199 WeakPolarHBondContact O-CB 3.46Å; Q78-A199 WeakPolarHBondContact O-CB 3.39Å; F80-A199 HydrophobicContact CD1-CB 3.64Å; F80-A199 HydrophobicContact CE1-CB 3.35Å; F80-A199 HydrophobicContact CE2-CB 4.3Å; F80-A199 HydrophobicContact CG-CB 4.24Å; F80-A199 HydrophobicContact CZ-CB 3.71Å; I197-A199 PolarHBondContact O-N 2.72Å | ||
| 200 | F | 96.2 | Very high | 97.2 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | trans | -146.1 | 162.7 | -168 | 66.3 | -91 | 0 | 0 | 0 | 110.8 | F80 V91 N180 I181 I197 V202 L205 | F80-F200 AromaticContact CD2-CD1 3.79Å; F80-F200 HydrophobicContact CD2-CD1 3.79Å; F80-F200 AromaticContact CD2-CE1 3.56Å; F80-F200 HydrophobicContact CD2-CE1 3.56Å; F80-F200 HydrophobicContact CD2-CZ 4.33Å; F80-F200 AromaticContact CE2-CD1 3.85Å; F80-F200 HydrophobicContact CE2-CD1 3.85Å; F80-F200 AromaticContact CE2-CE1 3.84Å; F80-F200 HydrophobicContact CE2-CE1 3.84Å; F80-F200 HydrophobicContact CE2-CG 4.39Å; F80-F200 HydrophobicContact CE2-CZ 4.35Å; V91-F200 HydrophobicContact CG1-CE1 4.49Å; N180-F200 HydrophobicContact CB-CB 3.83Å; N180-F200 HydrophobicContact CB-CD1 3.67Å; N180-F200 HydrophobicContact CB-CD2 3.73Å; N180-F200 HydrophobicContact CB-CE1 4.13Å; N180-F200 HydrophobicContact CB-CE2 4.21Å; N180-F200 HydrophobicContact CB-CG 3.46Å; N180-F200 VanDerWaalsContact CB-CG 3.46Å; N180-F200 HydrophobicContact CB-CZ 4.4Å; I181-F200 HydrophobicContact CD1-CZ 4.08Å; I181-F200 HydrophobicContact CG1-CE1 4.25Å; I181-F200 HydrophobicContact CG1-CZ 3.88Å; I197-F200 HydrophobicContact CD1-CD1 4.43Å; I197-F200 HydrophobicContact CD1-CE1 3.92Å; F200-V202 HydrophobicContact CE2-CG2 4.06Å; F200-V202 HydrophobicContact CZ-CG2 4.41Å; F200-V202 PolarHBondContact O-N 3.29Å; F200-V202 VanDerWaalsContact O-N 3.13Å; F200-L205 HydrophobicContact CE2-CD1 3.76Å; F200-L205 HydrophobicContact CE2-CG 4.14Å; F200-L205 HydrophobicContact CZ-CD1 4.18Å | ||
| 201 | D | 96.6 | Very high | 97.2 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 24% | 0.235 | 26% | 0.257 | C | S | . | . | trans | -66.1 | 104.6 | 173.4 | 177.3 | -1 | 0 | 0 | 0 | 110.8 | Y72 S73 Q203 S204 | Y72-D201 CarbonylContact O-C 3.49Å; S73-D201 WeakPolarHBondContact CA-OD1 3.33Å; D201-Q203 VanDerWaalsContact C-N 3.27Å; D201-Q203 PolarHBondContact O-N 3.31Å; D201-Q203 VanDerWaalsContact OD1-CA 3.28Å; D201-Q203 WeakPolarHBondContact OD1-CA 3.32Å; D201-Q203 WeakPolarHBondContact OD1-CB 3.39Å; D201-Q203 PolarHBondContact OD1-N 2.78Å; D201-S204 WeakPolarHBondContact O-CB 3.33Å; D201-S204 PolarHBondContact O-N 2.84Å; D201-S204 PolarHBondContact O-OG 3.3Å; D201-S204 PolarHBondContact OD1-N 2.82Å | ||
| 202 | V | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -70.5 | -26.1 | 177.6 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | Y72 F80 L93 M97 L111 F200 S204 L205 | Y72-V202 HydrophobicContact CD2-CB 3.88Å; Y72-V202 HydrophobicContact CD2-CG1 3.58Å; Y72-V202 HydrophobicContact CE2-CB 4.45Å; Y72-V202 HydrophobicContact CE2-CG1 3.7Å; Y72-V202 HydrophobicContact CG-CB 4.21Å; Y72-V202 HydrophobicContact CG-CG1 4.32Å; Y72-V202 PolarHBondContact O-N 3.31Å; F80-V202 HydrophobicContact CE2-CG2 3.99Å; F80-V202 HydrophobicContact CZ-CG2 4.5Å; L93-V202 HydrophobicContact CD2-CG2 3.87Å; M97-V202 HydrophobicContact CE-CG2 3.93Å; M97-V202 HydrophobicContact SD-CG2 4.01Å; L111-V202 HydrophobicContact CD2-CG1 3.97Å; F200-V202 HydrophobicContact CE2-CG2 4.06Å; F200-V202 HydrophobicContact CZ-CG2 4.41Å; F200-V202 PolarHBondContact O-N 3.29Å; F200-V202 VanDerWaalsContact O-N 3.13Å; V202-S204 PolarHBondContact O-N 2.96Å; V202-L205 HydrophobicContact CG1-CD1 4.47Å; V202-L205 WeakPolarHBondContact O-CB 3.31Å; V202-L205 PolarHBondContact O-N 3.15Å |
| 203 | Q | 97.6 | Very high | 97.3 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 38% | 0.383 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -62.4 | -28.4 | 176 | -165.8 | 171.6 | -12.1 | 0 | 0 | 111.3 | D201 L205 L206 | D201-Q203 VanDerWaalsContact C-N 3.27Å; D201-Q203 PolarHBondContact O-N 3.31Å; D201-Q203 VanDerWaalsContact OD1-CA 3.28Å; D201-Q203 WeakPolarHBondContact OD1-CA 3.32Å; D201-Q203 WeakPolarHBondContact OD1-CB 3.39Å; D201-Q203 PolarHBondContact OD1-N 2.78Å; Q203-L205 PolarHBondContact O-N 2.82Å; Q203-L205 VanDerWaalsContact O-N 3.14Å; Q203-L206 WeakPolarHBondContact O-CB 3.2Å; Q203-L206 PolarHBondContact O-N 3.43Å |
| 204 | S | 97.4 | Very high | 97.3 | Very high | 45 Ų | 45 | 46.1 Ų | 46.1 | 32% | 0.315 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -63.7 | -13.4 | 174.6 | 77.4 | 0 | 0 | 0 | 0 | 114.7 | G177 D201 V202 | G177-S204 VanDerWaalsContact CA-OG 3.29Å; G177-S204 WeakPolarHBondContact CA-OG 3.36Å; D201-S204 WeakPolarHBondContact O-CB 3.33Å; D201-S204 PolarHBondContact O-N 2.84Å; D201-S204 PolarHBondContact O-OG 3.3Å; D201-S204 PolarHBondContact OD1-N 2.82Å; V202-S204 PolarHBondContact O-N 2.96Å |
| 205 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -88.7 | -13.8 | 174.4 | -56.1 | -178.9 | 0 | 0 | 0 | 113.2 | L111 L138 G177 F178 I181 F200 V202 Q203 | L111-L205 HydrophobicContact CD2-CD1 3.68Å; L138-L205 HydrophobicContact CD2-CB 3.79Å; L138-L205 HydrophobicContact CD2-CD1 4.28Å; G177-L205 WeakPolarHBondContact O-CD2 3.48Å; F178-L205 HydrophobicContact CD2-CD2 3.81Å; F178-L205 HydrophobicContact CE2-CB 4.42Å; F178-L205 HydrophobicContact CE2-CD2 3.99Å; F178-L205 HydrophobicContact CG-CD2 4.15Å; F178-L205 HydrophobicContact CZ-CD2 4.49Å; I181-L205 HydrophobicContact CD1-CD1 3.85Å; F200-L205 HydrophobicContact CE2-CD1 3.76Å; F200-L205 HydrophobicContact CE2-CG 4.14Å; F200-L205 HydrophobicContact CZ-CD1 4.18Å; V202-L205 HydrophobicContact CG1-CD1 4.47Å; V202-L205 WeakPolarHBondContact O-CB 3.31Å; V202-L205 PolarHBondContact O-N 3.15Å; Q203-L205 PolarHBondContact O-N 2.82Å; Q203-L205 VanDerWaalsContact O-N 3.14Å |
| 206 | L | 98.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -89.3 | 158.7 | -176.1 | -54.4 | -176.9 | 0 | 0 | 0 | 111.3 | P69 Y72 V140 L164 I166 Q203 L210 | P69-L206 HydrophobicContact CB-CD1 4.33Å; P69-L206 HydrophobicContact CG-CD1 3.69Å; Y72-L206 HydrophobicContact CD2-CD1 3.94Å; Y72-L206 HydrophobicContact CE2-CD1 4.07Å; V140-L206 HydrophobicContact CG2-CD2 4.47Å; L164-L206 HydrophobicContact CD1-CD2 4.48Å; I166-L206 HydrophobicContact CD1-CD2 3.84Å; I166-L206 HydrophobicContact CG1-CD2 3.99Å; Q203-L206 WeakPolarHBondContact O-CB 3.2Å; Q203-L206 PolarHBondContact O-N 3.43Å; L206-L210 HydrophobicContact CB-CD2 3.97Å; L206-L210 HydrophobicContact CD1-CD1 4.48Å; L206-L210 HydrophobicContact CD1-CD2 4.38Å |
| 207 | P | 97.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | trans | -61.5 | 161.7 | 170.1 | -18.2 | 30.4 | 0 | 0 | 0 | 112.4 | I166 L210 F234 E236 V238 | I166-P207 HydrophobicContact CG2-CG 4.05Å; P207-L210 VanDerWaalsContact O-CD2 3.27Å; P207-L210 WeakPolarHBondContact O-CD2 3.28Å; P207-F234 HydrophobicContact CG-CB 3.76Å; P207-F234 HydrophobicContact CG-CD2 4.23Å; P207-F234 HydrophobicContact CG-CG 3.94Å; P207-E236 HydrophobicContact CB-CB 3.82Å; P207-E236 HydrophobicContact CB-CG 3.96Å; P207-E236 WeakPolarHBondContact CG-O 3.47Å; P207-V238 HydrophobicContact CB-CG2 4.34Å; P207-V238 HydrophobicContact CG-CG2 3.96Å | ||
| 208 | K | 95.8 | Very high | 97.5 | Very high | 198 Ų | 198 | 38.3 Ų | 38.3 | 86% | 0.861 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -72.1 | -40.7 | 178.6 | -66.2 | 177.6 | -179.2 | 174.6 | 0 | 111.5 | E236 | K208-E236 PolarHBondContact N-OE2 2.69Š|
| 209 | D | 96.2 | Very high | 97.6 | Very high | 61 Ų | 61 | 34.9 Ų | 34.9 | 33% | 0.326 | 18% | 0.179 | S | C | . | . | trans | -94.8 | 92.5 | 178 | -172 | -6.2 | 0 | 0 | 0 | 111.6 | G211 R212 E236 | D209-G211 PolarHBondContact O-N 3.13Å; D209-G211 WeakPolarHBondContact OD1-CA 3.12Å; D209-G211 PolarHBondContact OD1-N 3.21Å; D209-R212 PolarHBondContact OD1-N 2.99Å; D209-R212 WeakPolarHBondContact OD2-CD 3.48Å; D209-R212 WeakPolarHBondContact OD2-CG 3.37Å; D209-E236 WeakPolarHBondContact CB-OE2 3.06Å; D209-E236 PolarHBondContact N-OE2 2.9Å | ||
| 210 | L | 96.9 | Very high | 97.7 | Very high | 24 Ų | 24 | 35 Ų | 35 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -4.1 | 173.8 | -53.4 | -176.3 | 0 | 0 | 0 | 113.4 | V67 P69 L206 P207 Y213 F234 | V67-L210 HydrophobicContact CG2-CB 4.34Å; P69-L210 HydrophobicContact CG-CD1 3.73Å; L206-L210 HydrophobicContact CB-CD2 3.97Å; L206-L210 HydrophobicContact CD1-CD1 4.48Å; L206-L210 HydrophobicContact CD1-CD2 4.38Å; P207-L210 VanDerWaalsContact O-CD2 3.27Å; P207-L210 WeakPolarHBondContact O-CD2 3.28Å; L210-Y213 WeakPolarHBondContact O-CD1 3.39Å; L210-F234 HydrophobicContact CB-CE1 3.97Å; L210-F234 HydrophobicContact CD2-CD1 4.23Å; L210-F234 HydrophobicContact CD2-CE1 3.58Å; L210-F234 HydrophobicContact CD2-CE2 4.5Å; L210-F234 HydrophobicContact CD2-CZ 3.71Å; L210-F234 HydrophobicContact CG-CE1 4.37Å |
| 211 | G | 96.8 | Very high | 97.8 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -15.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D209 S283 | D209-G211 PolarHBondContact O-N 3.13Å; D209-G211 WeakPolarHBondContact OD1-CA 3.12Å; D209-G211 PolarHBondContact OD1-N 3.21Å; G211-S283 WeakPolarHBondContact O-CB 3.41Å; G211-S283 PolarHBondContact O-OG 3.4Å |
| 212 | R | 97.5 | Very high | 97.8 | Very high | 68 Ų | 68 | 34.8 Ų | 34.8 | 26% | 0.257 | 18% | 0.177 | S | C | . | . | trans | -111.3 | 103.1 | -178.9 | -65.2 | 179.9 | 70 | 165.8 | -10.2 | 111.6 | D209 H235 S283 F284 | D209-R212 PolarHBondContact OD1-N 2.99Å; D209-R212 WeakPolarHBondContact OD2-CD 3.48Å; D209-R212 WeakPolarHBondContact OD2-CG 3.37Å; R212-H235 HydrophobicContact CB-CB 4Å; R212-H235 PolarHBondContact NH2-CD2 2.77Å; R212-H235 PolarHBondContact NH2-NE2 3.36Å; R212-H235 WeakPolarHBondContact O-CB 3.32Å; R212-H235 PolarHBondContact O-N 2.89Å; R212-S283 WeakPolarHBondContact CA-OG 3.13Å; R212-F284 HydrophobicContact CB-CD1 3.75Å; R212-F284 HydrophobicContact CB-CE1 4.11Å; R212-F284 HydrophobicContact CB-CG 4.24Å; R212-F284 HydrophobicContact CG-CB 4.04Å; R212-F284 HydrophobicContact CG-CD1 4.05Å; R212-F284 HydrophobicContact CG-CG 4.05Å | ||
| 213 | Y | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 169.6 | -178.3 | 62.8 | -97.5 | 0 | 0 | 0 | 111.7 | L64 V65 V67 L210 R215 T232 M233 A282 S283 | L64-Y213 HydrophobicContact CB-CE2 4.38Å; L64-Y213 WeakPolarHBondContact CB-OH 3.32Å; L64-Y213 HydrophobicContact CD1-CE2 4.11Å; L64-Y213 HydrophobicContact CD2-CE2 4.44Å; V65-Y213 WeakPolarHBondContact O-CE1 3.34Å; V65-Y213 PolarHBondContact O-OH 3.22Å; V67-Y213 HydrophobicContact CG1-CE1 4.41Å; L210-Y213 WeakPolarHBondContact O-CD1 3.39Å; Y213-R215 HydrophobicContact CD2-CB 4.37Å; Y213-R215 HydrophobicContact CE2-CB 4.1Å; Y213-T232 HydrophobicContact CD1-CG2 4.32Å; Y213-T232 HydrophobicContact CD2-CG2 3.65Å; Y213-T232 HydrophobicContact CE2-CG2 4.24Å; Y213-T232 HydrophobicContact CG-CG2 3.67Å; Y213-M233 CarbonylContact C-O 3.56Å; Y213-M233 VanDerWaalsContact CA-O 3.25Å; Y213-M233 WeakPolarHBondContact CA-O 3.41Å; Y213-M233 WeakPolarHBondContact CB-O 3.38Å; Y213-A282 WeakPolarHBondContact O-CA 3.34Å; Y213-S283 WeakPolarHBondContact CD1-OG 3.34Å; Y213-S283 PolarHBondContact N-OG 2.8Å; Y213-S283 PolarHBondContact O-N 2.87Å; Y213-S283 PolarHBondContact O-OG 2.84Å |
| 214 | Y | 98.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 139.2 | 170.8 | -52.9 | -76.4 | 0 | 0 | 0 | 110.3 | V53 T55 T58 I129 T232 M233 H235 I280 F281 A282 F284 | V53-Y214 HydrophobicContact CG1-CD1 3.8Å; V53-Y214 HydrophobicContact CG1-CD2 3.82Å; V53-Y214 HydrophobicContact CG1-CE1 3.92Å; V53-Y214 HydrophobicContact CG1-CE2 3.92Å; V53-Y214 HydrophobicContact CG1-CG 3.73Å; T55-Y214 VanDerWaalsContact CG2-OH 3.29Å; T55-Y214 WeakPolarHBondContact CG2-OH 3.48Å; T58-Y214 HydrophobicContact CG2-CD1 3.88Å; T58-Y214 HydrophobicContact CG2-CE1 3.9Å; I129-Y214 HydrophobicContact CD1-CE2 4.19Å; Y214-T232 WeakPolarHBondContact O-CA 3.49Å; Y214-M233 HydrophobicContact CD2-CB 4.49Å; Y214-M233 PolarHBondContact N-O 3.17Å; Y214-M233 PolarHBondContact O-N 2.91Å; Y214-H235 HydrophobicContact CE2-CB 4.32Å; Y214-H235 PolarHBondContact OH-ND1 3.35Å; Y214-I280 HydrophobicContact CD1-CG2 4.35Å; Y214-I280 HydrophobicContact CG-CG2 4.39Å; Y214-F281 CarbonylContact C-O 3.46Å; Y214-F281 WeakPolarHBondContact CA-O 3.39Å; Y214-A282 HydrophobicContact CD1-CB 3.87Å; Y214-A282 HydrophobicContact CE1-CB 4.02Å; Y214-F284 HydrophobicContact CE1-CE1 4.07Å; Y214-F284 AromaticContact CE1-CZ 3.88Å; Y214-F284 HydrophobicContact CE1-CZ 3.88Å; Y214-F284 AromaticContact CZ-CZ 3.75Å |
| 215 | R | 98.6 | Very high | 97.7 | Very high | 24 Ų | 24 | 31.1 Ų | 31.1 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.7 | -176.8 | 176.8 | 65 | 57.8 | 74.7 | 0 | 110.4 | L64 Y213 I230 W231 T232 F281 | L64-R215 HydrophobicContact CD1-CB 3.96Å; L64-R215 HydrophobicContact CD2-CB 4.35Å; L64-R215 HydrophobicContact CD2-CG 4.21Å; Y213-R215 HydrophobicContact CD2-CB 4.37Å; Y213-R215 HydrophobicContact CE2-CB 4.1Å; R215-I230 VanDerWaalsContact CD-CG2 3.46Å; R215-W231 WeakPolarHBondContact CA-O 3.48Å; R215-W231 VanDerWaalsContact CD-O 3.26Å; R215-W231 WeakPolarHBondContact CD-O 3.27Å; R215-W231 PolarHBondContact NE-O 3.14Å; R215-T232 PolarHBondContact NE-OG1 2.94Å; R215-T232 PolarHBondContact NH2-OG1 3.07Å; R215-T232 VanDerWaalsContact NH2-OG1 3.07Å; R215-F281 HydrophobicContact CB-CB 4.43Å; R215-F281 PolarHBondContact N-O 2.97Å; R215-F281 PolarHBondContact O-N 3.34Å |
| 216 | Y | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 159.6 | 173.6 | 78.8 | -80.7 | 0 | 0 | 0 | 112.1 | S49 V51 H127 W231 M233 I280 | S49-Y216 WeakPolarHBondContact CB-OH 3.46Å; S49-Y216 WeakPolarHBondContact OG-CE2 3.16Å; S49-Y216 PolarHBondContact OG-OH 2.88Å; V51-Y216 HydrophobicContact CG1-CE2 4.14Å; V51-Y216 HydrophobicContact CG2-CD1 4.44Å; V51-Y216 HydrophobicContact CG2-CD2 4.45Å; V51-Y216 HydrophobicContact CG2-CE1 3.93Å; V51-Y216 HydrophobicContact CG2-CE2 3.97Å; H127-Y216 AromaticContact NE2-CE1 3.73Å; H127-Y216 AromaticContact NE2-CZ 3.6Å; H127-Y216 PolarHBondContact NE2-OH 2.96Å; Y216-W231 HydrophobicContact CD1-CB 3.58Å; Y216-W231 HydrophobicContact CD1-CG 4.34Å; Y216-W231 HydrophobicContact CE1-CB 3.26Å; Y216-W231 HydrophobicContact CE1-CD2 4.41Å; Y216-W231 AromaticContact CE1-CG 3.61Å; Y216-W231 HydrophobicContact CE1-CG 3.61Å; Y216-W231 HydrophobicContact CE2-CB 4.42Å; Y216-W231 AromaticContact CE2-CD1 3.89Å; Y216-W231 HydrophobicContact CE2-CG 4.28Å; Y216-W231 HydrophobicContact CG-CB 4.29Å; Y216-W231 AromaticContact CZ-CD1 3.53Å; Y216-W231 AromaticContact CZ-CG 3.56Å; Y216-W231 PolarHBondContact N-O 3.13Å; Y216-W231 PolarHBondContact O-N 3.03Å; Y216-M233 HydrophobicContact CE1-CG 4.36Å; Y216-I280 HydrophobicContact CG-CG1 4.47Å |
| 217 | N | 98.4 | Very high | 97.7 | Very high | 106 Ų | 106 | 36.4 Ų | 36.4 | 57% | 0.567 | 18% | 0.182 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 128.6 | 172.1 | -68 | -19.8 | 0 | 0 | 0 | 110 | R278 | N217-R278 VanDerWaalsContact O-CD 3.25Å; N217-R278 WeakPolarHBondContact O-CD 3.48Å; N217-R278 PolarHBondContact O-NH1 3.29Å |
| 218 | G | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | -153.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113 | S47 S49 Q227 S228 V229 | S47-G218 CarbonylContact O-C 3.47Å; S47-G218 VanDerWaalsContact O-C 3.24Å; S47-G218 VanDerWaalsContact O-CA 3.27Å; S47-G218 WeakPolarHBondContact O-CA 3.49Å; S49-G218 VanDerWaalsContact OG-CA 3.32Å; S49-G218 WeakPolarHBondContact OG-CA 3.37Å; G218-Q227 CarbonylContact O-C 3.54Å; G218-Q227 VanDerWaalsContact O-C 3.31Å; G218-Q227 WeakPolarHBondContact O-CA 3.43Å; G218-S228 PolarHBondContact O-N 3.47Å; G218-V229 PolarHBondContact N-O 3.24Å; G218-V229 PolarHBondContact O-N 3.25Å |
| 219 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -128.1 | 172.9 | -178.5 | 72.6 | 0 | 0 | 0 | 0 | 112.5 | S47 Q48 S49 C225 Y226 V229 W231 | S47-S219 PolarHBondContact O-N 3.23Å; Q48-S219 WeakPolarHBondContact CA-OG 3.23Å; Q48-S219 PolarHBondContact OE1-OG 2.86Å; S49-S219 WeakPolarHBondContact CB-O 3.24Å; S49-S219 PolarHBondContact N-OG 2.89Å; S49-S219 PolarHBondContact OG-N 2.88Å; S219-C225 WeakPolarHBondContact CB-O 2.88Å; S219-Y226 CarbonylContact C-O 3.48Å; S219-Y226 WeakPolarHBondContact CA-O 3.41Å; S219-Y226 VanDerWaalsContact CB-O 3.26Å; S219-Y226 WeakPolarHBondContact CB-O 3.36Å; S219-V229 VanDerWaalsContact C-CG2 3.43Å; S219-W231 PolarHBondContact O-NE1 3.32Å | ||
| 220 | L | 98.5 | Very high | 98 | Very high | 23 Ų | 23 | 24.5 Ų | 24.5 | 12% | 0.12 | 13% | 0.127 | C | C | . | . | trans | -58.3 | 142.9 | 154.2 | -63.7 | 173.4 | 0 | 0 | 0 | 109.3 | M155 L161 T222 Y226 V229 | M155-L220 HydrophobicContact CE-CD1 4.13Å; L161-L220 HydrophobicContact CD1-CD2 3.71Å; L161-L220 HydrophobicContact CD1-CG 4.32Å; L220-T222 VanDerWaalsContact C-N 3.29Å; L220-Y226 HydrophobicContact CD1-CD2 4.21Å; L220-Y226 PolarHBondContact N-O 3.08Å; L220-V229 HydrophobicContact CD2-CG2 4.02Å; L220-V229 HydrophobicContact CG-CG2 4.28Å | ||
| 221 | T | 98.3 | Very high | 98.1 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -91 | 4.4 | 178.7 | 57.6 | 0 | 0 | 0 | 0 | 113 | W36 P50 E126 W231 R270 | W36-T221 WeakPolarHBondContact CZ3-O 3.29Å; P50-T221 HydrophobicContact CB-CG2 4.45Å; E126-T221 WeakPolarHBondContact OE1-CB 3.25Å; E126-T221 PolarHBondContact OE1-OG1 3.48Å; E126-T221 WeakPolarHBondContact OE2-CB 3.49Å; E126-T221 WeakPolarHBondContact OE2-CG2 3.35Å; E126-T221 PolarHBondContact OE2-OG1 2.9Å; T221-W231 HydrophobicContact CG2-CH2 4.34Å; T221-W231 HydrophobicContact CG2-CZ2 3.89Å; T221-R270 WeakPolarHBondContact O-CD 3.46Å |
| 222 | T | 96.6 | Very high | 98.2 | Very high | 37 Ų | 37 | 22.5 Ų | 22.5 | 23% | 0.227 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -131 | 154.3 | 175.8 | 55.5 | 0 | 0 | 0 | 0 | 109.9 | W24 L220 C225 | W24-T222 HydrophobicContact CH2-CG2 3.44Å; W24-T222 VanDerWaalsContact CH2-CG2 3.44Å; W24-T222 HydrophobicContact CZ2-CG2 4.04Å; W24-T222 HydrophobicContact CZ3-CG2 4.23Å; L220-T222 VanDerWaalsContact C-N 3.29Å; T222-C225 WeakPolarHBondContact O-CA 3.41Å; T222-C225 PolarHBondContact O-N 3.09Å |
| 223 | P | 95.9 | Very high | 98.2 | Very high | 12 Ų | 12 | 19.5 Ų | 19.5 | 8% | 0.078 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 140 | 174 | -30 | 37.6 | 0 | 0 | 0 | 112.6 | W24 W36 F40 | W24-P223 HydrophobicContact CB-CG 4.43Å; W24-P223 HydrophobicContact CD2-CB 4.38Å; W24-P223 HydrophobicContact CD2-CG 3.82Å; W24-P223 HydrophobicContact CE3-CG 4.29Å; W24-P223 HydrophobicContact CG-CB 4.19Å; W24-P223 HydrophobicContact CG-CG 3.85Å; W36-P223 HydrophobicContact CB-CG 4.44Å; W36-P223 HydrophobicContact CD2-CG 3.54Å; W36-P223 HydrophobicContact CE3-CG 3.89Å; W36-P223 HydrophobicContact CG-CG 3.82Å; W36-P223 HydrophobicContact CZ2-CG 4.23Å; W36-P223 HydrophobicContact CZ3-CG 4.37Å; F40-P223 HydrophobicContact CB-CB 4.44Å; F40-P223 HydrophobicContact CD1-CB 4.03Å; F40-P223 HydrophobicContact CD2-CB 3.58Å; F40-P223 HydrophobicContact CD2-CG 3.99Å; F40-P223 HydrophobicContact CE1-CB 4.12Å; F40-P223 HydrophobicContact CE2-CB 3.69Å; F40-P223 HydrophobicContact CE2-CG 4.13Å; F40-P223 HydrophobicContact CG-CB 3.75Å; F40-P223 HydrophobicContact CZ-CB 3.96Å |
| 224 | P | 96.6 | Very high | 98.2 | Very high | 39 Ų | 39 | 19.4 Ų | 19.4 | 25% | 0.253 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -81.4 | 10 | 7.7 | -17.8 | 34.1 | 0 | 0 | 0 | 116.9 | F40 D42 Y226 | F40-P224 HydrophobicContact CD1-CB 3.99Å; F40-P224 HydrophobicContact CD1-CG 4.26Å; D42-P224 VanDerWaalsContact CB-O 3.27Å; D42-P224 WeakPolarHBondContact CB-O 3.17Å; P224-Y226 VanDerWaalsContact C-N 3.32Å; P224-Y226 HydrophobicContact CB-CD2 4.39Å; P224-Y226 HydrophobicContact CB-CE1 4.13Å; P224-Y226 HydrophobicContact CB-CE2 3.96Å; P224-Y226 HydrophobicContact CG-CE2 3.88Å; P224-Y226 PolarHBondContact O-N 3.21Å |
| 225 | C | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | 59.4 | 32.6 | 177.1 | -45.6 | 0 | 0 | 0 | 0 | 115.9 | C43 Q48 S219 T222 Q227 | C43-C225 VanDerWaalsContact CA-CB 3.44Å; C43-C225 VanDerWaalsContact CA-SG 3.55Å; C43-C225 HydrophobicContact CB-CB 3.71Å; C43-C225 WeakPolarHBondContact CB-SG 3.33Å; C43-C225 WeakPolarHBondContact SG-CB 3.2Å; C43-C225 CovalentContact SG-SG 2.04Å; C43-C225 PolarHBondContact SG-SG 3.37Å; Q48-C225 PolarHBondContact NE2-O 3.06Å; S219-C225 WeakPolarHBondContact CB-O 2.88Å; T222-C225 WeakPolarHBondContact O-CA 3.41Å; T222-C225 PolarHBondContact O-N 3.09Å; C225-Q227 PolarHBondContact O-N 2.92Å | ||
| 226 | Y | 98.5 | Very high | 98.1 | Very high | 65 Ų | 65 | 24.2 Ų | 24.2 | 26% | 0.255 | 12% | 0.123 | S | C | . | . | trans | -53.7 | 134.3 | 177.4 | -65.5 | -51.5 | 0 | 0 | 0 | 112.1 | D42 M155 T156 S219 L220 P224 S228 | D42-Y226 HydrophobicContact CB-CD1 4.49Å; D42-Y226 VanDerWaalsContact OD2-CD1 3.26Å; D42-Y226 WeakPolarHBondContact OD2-CD1 3.29Å; D42-Y226 VanDerWaalsContact OD2-CE1 3.28Å; D42-Y226 WeakPolarHBondContact OD2-CE1 3.39Å; M155-Y226 HydrophobicContact CE-CD2 4.24Å; M155-Y226 HydrophobicContact CE-CE2 4.32Å; M155-Y226 HydrophobicContact CG-CD2 4.16Å; M155-Y226 HydrophobicContact CG-CE2 4.29Å; M155-Y226 WeakPolarHBondContact O-CB 3.38Å; M155-Y226 WeakPolarHBondContact O-CD2 3.32Å; T156-Y226 HydrophobicContact CG2-CD1 4.32Å; T156-Y226 HydrophobicContact CG2-CD2 4.02Å; T156-Y226 HydrophobicContact CG2-CE1 4.04Å; T156-Y226 HydrophobicContact CG2-CE2 3.7Å; T156-Y226 HydrophobicContact CG2-CG 4.33Å; S219-Y226 CarbonylContact C-O 3.48Å; S219-Y226 WeakPolarHBondContact CA-O 3.41Å; S219-Y226 VanDerWaalsContact CB-O 3.26Å; S219-Y226 WeakPolarHBondContact CB-O 3.36Å; L220-Y226 HydrophobicContact CD1-CD2 4.21Å; L220-Y226 PolarHBondContact N-O 3.08Å; P224-Y226 VanDerWaalsContact C-N 3.32Å; P224-Y226 HydrophobicContact CB-CD2 4.39Å; P224-Y226 HydrophobicContact CB-CE1 4.13Å; P224-Y226 HydrophobicContact CB-CE2 3.96Å; P224-Y226 HydrophobicContact CG-CE2 3.88Å; P224-Y226 PolarHBondContact O-N 3.21Å; Y226-S228 PolarHBondContact O-N 2.78Å; Y226-S228 PolarHBondContact O-OG 3.04Å | ||
| 227 | Q | 98.4 | Very high | 98 | Very high | 58 Ų | 58 | 27.5 Ų | 27.5 | 27% | 0.271 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -84.1 | 59.4 | 179.9 | -57.1 | -178.6 | 138.9 | 0 | 0 | 111.1 | G45 S46 G218 C225 | G45-Q227 VanDerWaalsContact C-OE1 3.31Å; S46-Q227 VanDerWaalsContact N-OE1 3.17Å; G218-Q227 CarbonylContact O-C 3.54Å; G218-Q227 VanDerWaalsContact O-C 3.31Å; G218-Q227 WeakPolarHBondContact O-CA 3.43Å; C225-Q227 PolarHBondContact O-N 2.92Å |
| 228 | S | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -117.4 | 3.9 | -169.4 | 50.4 | 0 | 0 | 0 | 0 | 114 | M155 Q157 L161 G218 Y226 | M155-S228 WeakPolarHBondContact O-CB 3.48Å; M155-S228 PolarHBondContact O-OG 3.04Å; Q157-S228 WeakPolarHBondContact O-CA 3.15Å; Q157-S228 WeakPolarHBondContact O-CB 3.41Å; L161-S228 PolarHBondContact N-O 3.32Å; G218-S228 PolarHBondContact O-N 3.47Å; Y226-S228 PolarHBondContact O-N 2.78Å; Y226-S228 PolarHBondContact O-OG 3.04Å | ||
| 229 | V | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 124.5 | -166.9 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | L161 V163 G218 S219 L220 W231 | L161-V229 HydrophobicContact CB-CG2 4.09Å; L161-V229 HydrophobicContact CD1-CG2 4.11Å; V163-V229 HydrophobicContact CB-CG1 3.77Å; V163-V229 HydrophobicContact CG2-CG1 3.51Å; V163-V229 HydrophobicContact CG2-CG2 4.47Å; G218-V229 PolarHBondContact N-O 3.24Å; G218-V229 PolarHBondContact O-N 3.25Å; S219-V229 VanDerWaalsContact C-CG2 3.43Å; L220-V229 HydrophobicContact CD2-CG2 4.02Å; L220-V229 HydrophobicContact CG-CG2 4.28Å; V229-W231 VanDerWaalsContact CG1-CD1 3.48Å; V229-W231 HydrophobicContact CG1-CD2 4.01Å; V229-W231 HydrophobicContact CG1-CG 3.92Å; V229-W231 HydrophobicContact CG1-CZ2 4.23Å; V229-W231 VanDerWaalsContact CG1-NE1 3.31Å |
| 230 | I | 98.5 | Very high | 98 | Very high | 16 Ų | 16 | 28.3 Ų | 28.3 | 8% | 0.082 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 107.3 | 162.2 | -54.1 | 175.4 | 0 | 0 | 0 | 107.8 | L102 W104 F106 L161 A162 V163 R215 | L102-I230 HydrophobicContact CD2-CB 4.37Å; L102-I230 HydrophobicContact CD2-CG2 3.81Å; W104-I230 HydrophobicContact CZ3-CD1 4.26Å; F106-I230 HydrophobicContact CZ-CD1 4.22Å; L161-I230 PolarHBondContact O-N 2.88Å; A162-I230 WeakPolarHBondContact CA-O 3Å; V163-I230 PolarHBondContact N-O 3.31Å; V163-I230 VanDerWaalsContact N-O 3.11Å; R215-I230 VanDerWaalsContact CD-CG2 3.46Å |
| 231 | W | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.015 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 136.2 | -176.9 | -81.7 | 94.2 | 0 | 0 | 0 | 112.1 | S49 H127 H139 V163 R215 Y216 S219 T221 V229 M233 | S49-W231 PolarHBondContact OG-NE1 3.27Å; H127-W231 AromaticContact CE1-CD2 3.92Å; H127-W231 AromaticContact CE1-CE3 3.59Å; H127-W231 AromaticContact CE1-CH2 3.86Å; H127-W231 AromaticContact CE1-CZ3 3.55Å; H139-W231 AromaticContact CD2-CH2 3.79Å; H139-W231 AromaticContact CD2-CZ3 3.68Å; H139-W231 AromaticContact CE1-CH2 3.41Å; H139-W231 VanDerWaalsContact CE1-CH2 3.41Å; H139-W231 WeakPolarHBondContact CE1-CH2 3.28Å; H139-W231 AromaticContact ND1-CH2 3.89Å; H139-W231 AromaticContact NE2-CH2 3.31Å; H139-W231 VanDerWaalsContact NE2-CH2 3.31Å; H139-W231 WeakPolarHBondContact NE2-CH2 3.45Å; H139-W231 AromaticContact NE2-CZ3 3.42Å; H139-W231 WeakPolarHBondContact NE2-CZ3 3.41Å; V163-W231 HydrophobicContact CB-CD2 4.31Å; V163-W231 HydrophobicContact CB-CE3 4.01Å; V163-W231 HydrophobicContact CB-CH2 3.96Å; V163-W231 HydrophobicContact CB-CZ2 4.27Å; V163-W231 HydrophobicContact CB-CZ3 3.85Å; V163-W231 HydrophobicContact CG1-CE3 3.99Å; V163-W231 HydrophobicContact CG1-CH2 3.47Å; V163-W231 VanDerWaalsContact CG1-CH2 3.47Å; V163-W231 HydrophobicContact CG1-CZ2 4.23Å; V163-W231 HydrophobicContact CG1-CZ3 3.34Å; R215-W231 WeakPolarHBondContact CA-O 3.48Å; R215-W231 VanDerWaalsContact CD-O 3.26Å; R215-W231 WeakPolarHBondContact CD-O 3.27Å; R215-W231 PolarHBondContact NE-O 3.14Å; Y216-W231 HydrophobicContact CD1-CB 3.58Å; Y216-W231 HydrophobicContact CD1-CG 4.34Å; Y216-W231 HydrophobicContact CE1-CB 3.26Å; Y216-W231 HydrophobicContact CE1-CD2 4.41Å; Y216-W231 AromaticContact CE1-CG 3.61Å; Y216-W231 HydrophobicContact CE1-CG 3.61Å; Y216-W231 HydrophobicContact CE2-CB 4.42Å; Y216-W231 AromaticContact CE2-CD1 3.89Å; Y216-W231 HydrophobicContact CE2-CG 4.28Å; Y216-W231 HydrophobicContact CG-CB 4.29Å; Y216-W231 AromaticContact CZ-CD1 3.53Å; Y216-W231 AromaticContact CZ-CG 3.56Å; Y216-W231 PolarHBondContact N-O 3.13Å; Y216-W231 PolarHBondContact O-N 3.03Å; S219-W231 PolarHBondContact O-NE1 3.32Å; T221-W231 HydrophobicContact CG2-CH2 4.34Å; T221-W231 HydrophobicContact CG2-CZ2 3.89Å; V229-W231 VanDerWaalsContact CG1-CD1 3.48Å; V229-W231 HydrophobicContact CG1-CD2 4.01Å; V229-W231 HydrophobicContact CG1-CG 3.92Å; V229-W231 HydrophobicContact CG1-CZ2 4.23Å; V229-W231 VanDerWaalsContact CG1-NE1 3.31Å; W231-M233 HydrophobicContact CE3-SD 3.96Å; W231-M233 HydrophobicContact CZ3-SD 4.26Å |
| 232 | T | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 102.5 | 165.9 | -60.8 | 0 | 0 | 0 | 0 | 108.9 | V67 V163 L164 G165 Y213 Y214 R215 F234 | V67-T232 HydrophobicContact CG1-CG2 3.96Å; V163-T232 PolarHBondContact O-N 3.09Å; L164-T232 WeakPolarHBondContact CA-O 3.4Å; L164-T232 HydrophobicContact CD2-CG2 4.04Å; G165-T232 PolarHBondContact N-O 3.1Å; Y213-T232 HydrophobicContact CD1-CG2 4.32Å; Y213-T232 HydrophobicContact CD2-CG2 3.65Å; Y213-T232 HydrophobicContact CE2-CG2 4.24Å; Y213-T232 HydrophobicContact CG-CG2 3.67Å; Y214-T232 WeakPolarHBondContact O-CA 3.49Å; R215-T232 PolarHBondContact NE-OG1 2.94Å; R215-T232 PolarHBondContact NH2-OG1 3.07Å; R215-T232 VanDerWaalsContact NH2-OG1 3.07Å; T232-F234 HydrophobicContact CG2-CZ 4.48Å |
| 233 | M | 98.7 | Very high | 98 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.02 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 112.6 | 178.2 | -72 | -56.5 | -54 | 0 | 0 | 110 | H127 E137 G165 L167 Y213 Y214 Y216 W231 | H127-M233 HydrophobicContact CB-CE 3.57Å; H127-M233 HydrophobicContact CB-SD 4.18Å; H127-M233 VanDerWaalsContact CE1-SD 3.55Å; H127-M233 VanDerWaalsContact CG-SD 3.56Å; H127-M233 PolarHBondContact ND1-SD 2.96Å; E137-M233 VanDerWaalsContact OE1-CE 3.31Å; E137-M233 WeakPolarHBondContact OE1-CE 3.4Å; G165-M233 VanDerWaalsContact CA-SD 3.55Å; L167-M233 HydrophobicContact CD2-CE 4.09Å; L167-M233 HydrophobicContact CG-CE 4.04Å; Y213-M233 CarbonylContact C-O 3.56Å; Y213-M233 VanDerWaalsContact CA-O 3.25Å; Y213-M233 WeakPolarHBondContact CA-O 3.41Å; Y213-M233 WeakPolarHBondContact CB-O 3.38Å; Y214-M233 HydrophobicContact CD2-CB 4.49Å; Y214-M233 PolarHBondContact N-O 3.17Å; Y214-M233 PolarHBondContact O-N 2.91Å; Y216-M233 HydrophobicContact CE1-CG 4.36Å; W231-M233 HydrophobicContact CE3-SD 3.96Å; W231-M233 HydrophobicContact CZ3-SD 4.26Å |
| 234 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 144.3 | 179.9 | -67.3 | -77.2 | 0 | 0 | 0 | 112.1 | V67 L164 G165 I166 P207 L210 T232 | V67-F234 HydrophobicContact CG2-CE1 3.7Å; V67-F234 HydrophobicContact CG2-CZ 3.57Å; L164-F234 HydrophobicContact CB-CE2 4.09Å; L164-F234 HydrophobicContact CD1-CE2 4.28Å; L164-F234 HydrophobicContact CD1-CZ 4.45Å; L164-F234 HydrophobicContact CD2-CE2 4.14Å; L164-F234 HydrophobicContact CD2-CZ 4.18Å; L164-F234 HydrophobicContact CG-CE2 4.4Å; G165-F234 PolarHBondContact O-N 2.75Å; G165-F234 VanDerWaalsContact O-N 3.08Å; I166-F234 HydrophobicContact CD1-CD2 4.3Å; I166-F234 HydrophobicContact CD1-CE2 4.29Å; I166-F234 HydrophobicContact CG1-CD2 3.86Å; I166-F234 HydrophobicContact CG1-CE2 4.19Å; P207-F234 HydrophobicContact CG-CB 3.76Å; P207-F234 HydrophobicContact CG-CD2 4.23Å; P207-F234 HydrophobicContact CG-CG 3.94Å; L210-F234 HydrophobicContact CB-CE1 3.97Å; L210-F234 HydrophobicContact CD2-CD1 4.23Å; L210-F234 HydrophobicContact CD2-CE1 3.58Å; L210-F234 HydrophobicContact CD2-CE2 4.5Å; L210-F234 HydrophobicContact CD2-CZ 3.71Å; L210-F234 HydrophobicContact CG-CE1 4.37Å; T232-F234 HydrophobicContact CG2-CZ 4.48Å |
| 235 | H | 96.7 | Very high | 98.2 | Very high | 64 Ų | 64 | 31.2 Ų | 31.2 | 30% | 0.296 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -76.5 | -41.7 | 177.4 | 176.1 | 59.5 | 0 | 0 | 0 | 112.1 | R212 Y214 F284 | R212-H235 HydrophobicContact CB-CB 4Å; R212-H235 PolarHBondContact NH2-CD2 2.77Å; R212-H235 PolarHBondContact NH2-NE2 3.36Å; R212-H235 WeakPolarHBondContact O-CB 3.32Å; R212-H235 PolarHBondContact O-N 2.89Å; Y214-H235 HydrophobicContact CE2-CB 4.32Å; Y214-H235 PolarHBondContact OH-ND1 3.35Å; H235-F284 HydrophobicContact CB-CE1 3.87Å; H235-F284 HydrophobicContact CB-CZ 3.93Å; H235-F284 AromaticContact CG-CZ 3.66Å; H235-F284 AromaticContact ND1-CZ 3.8Å |
| 236 | E | 97.3 | Very high | 98.1 | Very high | 66 Ų | 66 | 34.5 Ų | 34.5 | 31% | 0.308 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -73.5 | 135.9 | 174.9 | -177.2 | -175.5 | 169.7 | 0 | 0 | 109.6 | P207 K208 D209 | P207-E236 HydrophobicContact CB-CB 3.82Å; P207-E236 HydrophobicContact CB-CG 3.96Å; P207-E236 WeakPolarHBondContact CG-O 3.47Å; K208-E236 PolarHBondContact N-OE2 2.69Å; D209-E236 WeakPolarHBondContact CB-OE2 3.06Å; D209-E236 PolarHBondContact N-OE2 2.9Å |
| 237 | R | 97.9 | Very high | 98.1 | Very high | 73 Ų | 73 | 34.2 Ų | 34.2 | 28% | 0.275 | 17% | 0.169 | S | C | . | . | P | Polyproline II helix | trans | -96.8 | 145.1 | 177.4 | -55.4 | -174.4 | 178.7 | 123.1 | -3.5 | 110.1 | S134 L167 E169 | S134-R237 PolarHBondContact OG-NE 2.77Å; L167-R237 HydrophobicContact CB-CG 3.97Å; L167-R237 VanDerWaalsContact O-CA 3.32Å; L167-R237 WeakPolarHBondContact O-CA 3.27Å; E169-R237 WeakPolarHBondContact OE1-CD 3.3Å; E169-R237 IonicContact OE1-CZ 2.72Å; E169-R237 IonicContact OE1-NE 3.74Å; E169-R237 PolarHBondContact OE1-NE 3.27Å; E169-R237 VanDerWaalsContact OE1-NE 3.13Å; E169-R237 IonicContact OE1-NH1 3.98Å; E169-R237 PolarHBondContact OE1-NH1 3.38Å; E169-R237 IonicContact OE1-NH2 3.56Å; E169-R237 VanDerWaalsContact OE2-CD 3.26Å; E169-R237 WeakPolarHBondContact OE2-CD 3.44Å; E169-R237 IonicContact OE2-NH1 3Å; E169-R237 PolarHBondContact OE2-NH1 3.48Å |
| 238 | V | 98.4 | Very high | 98 | Very high | 11 Ų | 11 | 31.5 Ų | 31.5 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 138.5 | 173.8 | 176.6 | 0 | 0 | 0 | 0 | 109.4 | I166 L167 I168 E169 N175 F178 P207 | I166-V238 HydrophobicContact CG2-CB 4.08Å; I166-V238 HydrophobicContact CG2-CG2 3.55Å; L167-V238 PolarHBondContact O-N 2.89Å; I168-V238 CarbonylContact C-O 3.56Å; I168-V238 VanDerWaalsContact CA-O 3.24Å; I168-V238 WeakPolarHBondContact CA-O 3.42Å; E169-V238 PolarHBondContact N-O 2.62Å; N175-V238 VanDerWaalsContact ND2-CG1 3.34Å; N175-V238 WeakPolarHBondContact ND2-CG1 3.2Å; F178-V238 HydrophobicContact CD2-CG1 4.38Å; F178-V238 HydrophobicContact CE2-CG1 3.72Å; P207-V238 HydrophobicContact CB-CG2 4.34Å; P207-V238 HydrophobicContact CG-CG2 3.96Å |
| 239 | Q | 98.4 | Very high | 97.9 | Very high | 116 Ų | 116 | 32 Ų | 32 | 54% | 0.542 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 141.7 | 177.7 | -65.2 | -178.4 | 27.9 | 0 | 0 | 111.4 | E169 N175 | E169-Q239 CarbonylContact O-C 3.6Å; E169-Q239 VanDerWaalsContact O-CA 3.23Å; E169-Q239 WeakPolarHBondContact O-CA 3.34Å; N175-Q239 VanDerWaalsContact CB-O 3.3Å; N175-Q239 WeakPolarHBondContact CB-O 3.27Å; N175-Q239 PolarHBondContact ND2-O 2.81Å |
| 240 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 157.3 | 168 | 65.4 | 173.2 | 0 | 0 | 0 | 109.4 | I168 E169 T170 G171 N175 F178 Q244 L245 M248 | I168-I240 HydrophobicContact CG2-CB 4.34Å; I168-I240 HydrophobicContact CG2-CD1 3.74Å; I168-I240 HydrophobicContact CG2-CG1 3.65Å; I168-I240 HydrophobicContact CG2-CG2 3.89Å; E169-I240 PolarHBondContact O-N 2.94Å; T170-I240 CarbonylContact C-O 3.54Å; T170-I240 WeakPolarHBondContact CA-O 3.49Å; G171-I240 PolarHBondContact N-O 2.72Å; N175-I240 HydrophobicContact CB-CB 4.48Å; N175-I240 HydrophobicContact CB-CG2 4Å; F178-I240 HydrophobicContact CB-CG2 4.1Å; F178-I240 HydrophobicContact CD1-CG2 4.02Å; F178-I240 HydrophobicContact CD2-CG2 3.76Å; F178-I240 HydrophobicContact CE1-CG2 4.42Å; F178-I240 HydrophobicContact CE2-CG2 4.2Å; F178-I240 HydrophobicContact CG-CG2 3.66Å; I240-Q244 HydrophobicContact CB-CB 4.03Å; I240-Q244 HydrophobicContact CD1-CB 4.19Å; I240-Q244 HydrophobicContact CG1-CB 4.38Å; I240-L245 HydrophobicContact CD1-CB 4.02Å; I240-L245 HydrophobicContact CD1-CD1 4.45Å; I240-M248 HydrophobicContact CD1-CE 4.04Å; I240-M248 HydrophobicContact CD1-SD 4.29Å |
| 241 | S | 98.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 158.2 | 177.6 | 69.3 | 0 | 0 | 0 | 0 | 112 | E173 T174 A243 Q244 L245 | E173-S241 WeakPolarHBondContact O-CB 3.28Å; E173-S241 PolarHBondContact O-N 2.99Å; T174-S241 PolarHBondContact OG1-OG 2.82Å; S241-A243 PolarHBondContact O-N 3.24Å; S241-Q244 WeakPolarHBondContact O-CA 3.28Å; S241-Q244 WeakPolarHBondContact O-CB 3.19Å; S241-Q244 PolarHBondContact O-N 2.82Å; S241-Q244 WeakPolarHBondContact OG-CG 3.16Å; S241-Q244 PolarHBondContact OG-N 3.42Å; S241-Q244 PolarHBondContact OG-OE1 2.9Å; S241-L245 PolarHBondContact O-N 2.96Å |
| 242 | K | 97.1 | Very high | 97.7 | Very high | 98 Ų | 98 | 38.8 Ų | 38.8 | 43% | 0.426 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.4 | -36 | 175 | -175.6 | 57.8 | 179.4 | 170.6 | 0 | 112.4 | T170 Q244 L245 L246 E249 | T170-K242 HydrophobicContact CG2-CB 3.81Å; T170-K242 HydrophobicContact CG2-CD 4.13Å; K242-Q244 VanDerWaalsContact C-N 3.3Å; K242-Q244 PolarHBondContact O-N 2.85Å; K242-L245 HydrophobicContact CD-CD2 4.35Å; K242-L245 PolarHBondContact O-N 2.85Å; K242-L246 HydrophobicContact CG-CD1 4.38Å; K242-L246 WeakPolarHBondContact O-CG 3.07Å; K242-L246 PolarHBondContact O-N 2.79Å; K242-E249 IonicContact NZ-OE2 2.7Å |
| 243 | A | 97.6 | Very high | 97.6 | Very high | 65 Ų | 65 | 40.4 Ų | 40.4 | 54% | 0.537 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.1 | -33.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S241 K247 | S241-A243 PolarHBondContact O-N 3.24Å; A243-K247 PolarHBondContact O-N 2.79Å |
| 244 | Q | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.2 | -43.8 | 174 | -74.9 | 178.7 | -59.1 | 0 | 0 | 111.6 | N175 N179 L182 I240 S241 K242 L246 K247 M248 | N175-Q244 PolarHBondContact O-NE2 3.4Å; N179-Q244 PolarHBondContact OD1-NE2 3.17Å; L182-Q244 HydrophobicContact CD1-CB 3.55Å; L182-Q244 HydrophobicContact CD1-CG 3.9Å; I240-Q244 HydrophobicContact CB-CB 4.03Å; I240-Q244 HydrophobicContact CD1-CB 4.19Å; I240-Q244 HydrophobicContact CG1-CB 4.38Å; S241-Q244 WeakPolarHBondContact O-CA 3.28Å; S241-Q244 WeakPolarHBondContact O-CB 3.19Å; S241-Q244 PolarHBondContact O-N 2.82Å; S241-Q244 WeakPolarHBondContact OG-CG 3.16Å; S241-Q244 PolarHBondContact OG-N 3.42Å; S241-Q244 PolarHBondContact OG-OE1 2.9Å; K242-Q244 VanDerWaalsContact C-N 3.3Å; K242-Q244 PolarHBondContact O-N 2.85Å; Q244-L246 VanDerWaalsContact C-N 3.34Å; Q244-L246 PolarHBondContact O-N 3Å; Q244-K247 WeakPolarHBondContact O-CB 3.41Å; Q244-K247 PolarHBondContact O-N 2.86Å; Q244-K247 VanDerWaalsContact O-N 3.13Å; Q244-M248 PolarHBondContact O-N 3.43Å |
| 245 | L | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 175.4 | -179.7 | 63.3 | 0 | 0 | 0 | 111.6 | D135 A136 T170 I240 S241 K242 K247 M248 E249 | D135-L245 HydrophobicContact CB-CD1 4.11Å; D135-L245 HydrophobicContact CB-CD2 3.81Å; A136-L245 HydrophobicContact CB-CD1 4.43Å; T170-L245 VanDerWaalsContact OG1-CD2 3.27Å; T170-L245 WeakPolarHBondContact OG1-CD2 3.27Å; I240-L245 HydrophobicContact CD1-CB 4.02Å; I240-L245 HydrophobicContact CD1-CD1 4.45Å; S241-L245 PolarHBondContact O-N 2.96Å; K242-L245 HydrophobicContact CD-CD2 4.35Å; K242-L245 PolarHBondContact O-N 2.85Å; L245-K247 PolarHBondContact O-N 3.03Å; L245-K247 VanDerWaalsContact O-N 3.16Å; L245-M248 HydrophobicContact CD1-SD 4.45Å; L245-M248 WeakPolarHBondContact O-CA 3.25Å; L245-M248 WeakPolarHBondContact O-CB 3.38Å; L245-M248 PolarHBondContact O-N 3.32Å; L245-E249 HydrophobicContact CD1-CG 4.37Å; L245-E249 WeakPolarHBondContact CD2-OE1 3.22Å; L245-E249 HydrophobicContact CG-CG 4.29Å; L245-E249 WeakPolarHBondContact CG-OE1 3.46Å; L245-E249 WeakPolarHBondContact O-CG 3.38Å; L245-E249 PolarHBondContact O-N 3.37Å |
| 246 | L | 96.9 | Very high | 97.1 | Very high | 70 Ų | 70 | 42.3 Ų | 42.3 | 37% | 0.366 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59 | -29 | 176.9 | -73.9 | 169.3 | 0 | 0 | 0 | 113.3 | K242 Q244 E249 M250 | K242-L246 HydrophobicContact CG-CD1 4.38Å; K242-L246 WeakPolarHBondContact O-CG 3.07Å; K242-L246 PolarHBondContact O-N 2.79Å; Q244-L246 VanDerWaalsContact C-N 3.34Å; Q244-L246 PolarHBondContact O-N 3Å; L246-E249 WeakPolarHBondContact CD2-OE2 3.26Å; L246-E249 PolarHBondContact O-N 2.81Å; L246-M250 HydrophobicContact CD2-SD 4Å; L246-M250 WeakPolarHBondContact O-CB 3.43Å; L246-M250 PolarHBondContact O-N 3.13Å |
| 247 | K | 97.4 | Very high | 96.8 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 173.4 | -69.3 | 178.2 | 177.4 | 178.7 | 0 | 111.3 | L182 N183 A243 Q244 L245 M251 | L182-K247 HydrophobicContact CB-CD 4.07Å; N183-K247 PolarHBondContact OD1-NZ 3Å; A243-K247 PolarHBondContact O-N 2.79Å; Q244-K247 WeakPolarHBondContact O-CB 3.41Å; Q244-K247 PolarHBondContact O-N 2.86Å; Q244-K247 VanDerWaalsContact O-N 3.13Å; L245-K247 PolarHBondContact O-N 3.03Å; L245-K247 VanDerWaalsContact O-N 3.16Å; K247-M251 HydrophobicContact CB-CE 4.19Å; K247-M251 HydrophobicContact CD-CE 4.42Å; K247-M251 HydrophobicContact CG-CE 3.92Å; K247-M251 WeakPolarHBondContact O-CB 3.3Å; K247-M251 PolarHBondContact O-N 3.15Å |
| 248 | M | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.7 | -51.4 | 174.6 | -58.3 | -179.1 | 170.9 | 0 | 0 | 109.8 | L113 W115 A136 F178 L182 M185 I240 Q244 L245 M250 | L113-M248 HydrophobicContact CD1-CE 3.81Å; L113-M248 HydrophobicContact CD2-CE 3.86Å; L113-M248 HydrophobicContact CG-CE 4.39Å; W115-M248 HydrophobicContact CB-CB 4.21Å; W115-M248 HydrophobicContact CB-SD 4.48Å; W115-M248 HydrophobicContact CD2-CB 3.9Å; W115-M248 VanDerWaalsContact CE2-O 3.3Å; W115-M248 HydrophobicContact CE3-CB 4.36Å; W115-M248 HydrophobicContact CG-CB 3.82Å; W115-M248 PolarHBondContact NE1-O 3.07Å; A136-M248 HydrophobicContact CB-SD 4.03Å; F178-M248 HydrophobicContact CD1-CE 3.92Å; F178-M248 HydrophobicContact CE1-CE 3.99Å; L182-M248 HydrophobicContact CD1-CE 4.25Å; L182-M248 HydrophobicContact CD2-CE 3.78Å; L182-M248 HydrophobicContact CD2-CG 3.75Å; M185-M248 HydrophobicContact CE-CG 4.23Å; I240-M248 HydrophobicContact CD1-CE 4.04Å; I240-M248 HydrophobicContact CD1-SD 4.29Å; Q244-M248 PolarHBondContact O-N 3.43Å; L245-M248 HydrophobicContact CD1-SD 4.45Å; L245-M248 WeakPolarHBondContact O-CA 3.25Å; L245-M248 WeakPolarHBondContact O-CB 3.38Å; L245-M248 PolarHBondContact O-N 3.32Å; M248-M250 VanDerWaalsContact C-N 3.31Å; M248-M250 PolarHBondContact O-N 3.36Å |
| 249 | E | 96.3 | Very high | 96.1 | Very high | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.8 | -26.1 | -173.4 | -64.3 | 171.4 | 162.8 | 0 | 0 | 114.2 | G118 K242 L245 L246 Q266 | G118-E249 VanDerWaalsContact CA-CD 3.45Å; G118-E249 WeakPolarHBondContact CA-OE1 3.16Å; G118-E249 PolarHBondContact N-OE1 3.45Å; K242-E249 IonicContact NZ-OE2 2.7Å; L245-E249 HydrophobicContact CD1-CG 4.37Å; L245-E249 WeakPolarHBondContact CD2-OE1 3.22Å; L245-E249 HydrophobicContact CG-CG 4.29Å; L245-E249 WeakPolarHBondContact CG-OE1 3.46Å; L245-E249 WeakPolarHBondContact O-CG 3.38Å; L245-E249 PolarHBondContact O-N 3.37Å; L246-E249 WeakPolarHBondContact CD2-OE2 3.26Å; L246-E249 PolarHBondContact O-N 2.81Å; E249-Q266 VanDerWaalsContact O-CG 3.29Å; E249-Q266 WeakPolarHBondContact O-CG 3.48Å; E249-Q266 PolarHBondContact O-NE2 2.82Å |
| 250 | M | 96.3 | Very high | 95.4 | Very high | 116 Ų | 116 | 50.1 Ų | 50.1 | 57% | 0.571 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -128.3 | -7.2 | -166.3 | -56.5 | -174.9 | 70.3 | 0 | 0 | 115.9 | L246 M248 | L246-M250 HydrophobicContact CD2-SD 4Å; L246-M250 WeakPolarHBondContact O-CB 3.43Å; L246-M250 PolarHBondContact O-N 3.13Å; M248-M250 VanDerWaalsContact C-N 3.31Å; M248-M250 PolarHBondContact O-N 3.36Å |
| 251 | M | 96.6 | Very high | 94.9 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 22% | 0.222 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -92.6 | -33.8 | -170.3 | -167 | 163.3 | -66.2 | 0 | 0 | 114.4 | M185 S186 K247 | M185-M251 VanDerWaalsContact C-SD 3.57Å; M185-M251 HydrophobicContact CB-CG 4.06Å; M185-M251 HydrophobicContact CB-SD 3.35Å; M185-M251 WeakPolarHBondContact CB-SD 3.48Å; S186-M251 PolarHBondContact N-SD 2.04Å; K247-M251 HydrophobicContact CB-CE 4.19Å; K247-M251 HydrophobicContact CD-CE 4.42Å; K247-M251 HydrophobicContact CG-CE 3.92Å; K247-M251 WeakPolarHBondContact O-CB 3.3Å; K247-M251 PolarHBondContact O-N 3.15Å |
| 252 | L | 97.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | trans | -100.6 | 149.7 | -171.7 | -57.2 | -176.8 | 0 | 0 | 0 | 111.5 | V89 W115 M185 I188 R189 L265 | V89-L252 HydrophobicContact CB-CD1 3.98Å; V89-L252 HydrophobicContact CG1-CD1 4.46Å; W115-L252 HydrophobicContact CH2-CD1 3.86Å; W115-L252 HydrophobicContact CZ2-CD1 4.08Å; M185-L252 HydrophobicContact CB-CD2 4.16Å; M185-L252 HydrophobicContact CE-CD1 4.24Å; M185-L252 HydrophobicContact CG-CD2 4.46Å; I188-L252 HydrophobicContact CG1-CD2 4.2Å; I188-L252 WeakPolarHBondContact O-CD2 3.36Å; R189-L252 CarbonylContact O-C 3.46Å; R189-L252 WeakPolarHBondContact O-CA 3.46Å; L252-L265 HydrophobicContact CB-CB 3.99Å; L252-L265 PolarHBondContact O-N 3.37Å | ||
| 253 | Y | 97.1 | Very high | 94.2 | Very high | 35 Ų | 35 | 61.8 Ų | 61.8 | 14% | 0.137 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -118.7 | 140.6 | 174.2 | -60.1 | -82.1 | 0 | 0 | 0 | 108.9 | N84 R189 H190 S255 R262 M263 L264 | N84-Y253 PolarHBondContact ND2-O 2.9Å; R189-Y253 HydrophobicContact CB-CD2 4.28Å; R189-Y253 PolarHBondContact NH2-OH 2.61Å; R189-Y253 VanDerWaalsContact NH2-OH 3.14Å; R189-Y253 WeakPolarHBondContact O-CD2 3.35Å; R189-Y253 PolarHBondContact O-N 2.86Å; H190-Y253 AromaticContact CE1-CD2 3.48Å; H190-Y253 VanDerWaalsContact CE1-CD2 3.48Å; H190-Y253 WeakPolarHBondContact CE1-CD2 3.26Å; H190-Y253 AromaticContact CE1-CE2 3.97Å; H190-Y253 AromaticContact ND1-CD2 3.79Å; H190-Y253 AromaticContact NE2-CD2 3.97Å; Y253-S255 VanDerWaalsContact C-N 3.31Å; Y253-R262 HydrophobicContact CD1-CB 4.03Å; Y253-R262 HydrophobicContact CE1-CB 4.11Å; Y253-M263 CarbonylContact C-O 3.53Å; Y253-M263 WeakPolarHBondContact CA-O 3.39Å; Y253-M263 VanDerWaalsContact CB-O 3.24Å; Y253-M263 WeakPolarHBondContact CB-O 3.35Å; Y253-M263 WeakPolarHBondContact CD1-O 3.49Å; Y253-L264 HydrophobicContact CD1-CD2 3.82Å; Y253-L264 HydrophobicContact CD1-CG 4.26Å; Y253-L264 HydrophobicContact CE1-CD2 3.45Å; Y253-L264 VanDerWaalsContact CE1-CD2 3.45Å; Y253-L264 HydrophobicContact CE1-CG 4.02Å |
| 254 | S | 95.8 | Very high | 94.1 | Very high | 36 Ų | 36 | 61.7 Ų | 61.7 | 25% | 0.252 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -78 | -20.2 | 173.6 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | G86 S191 M263 | G86-S254 WeakPolarHBondContact O-CA 3.42Å; G86-S254 WeakPolarHBondContact O-CB 3.49Å; S191-S254 VanDerWaalsContact CB-O 3.28Å; S191-S254 WeakPolarHBondContact CB-O 3.41Å; S254-M263 PolarHBondContact N-O 2.95Å; S254-M263 WeakPolarHBondContact OG-CB 3.4Å; S254-M263 PolarHBondContact OG-O 3.4Å |
| 255 | S | 94.1 | Very high | 94 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -80.5 | 150.1 | 177.8 | 46.8 | 0 | 0 | 0 | 0 | 112.5 | S191 Y253 E259 R262 M263 | S191-S255 PolarHBondContact N-O 3.14Å; S191-S255 VanDerWaalsContact N-O 3.07Å; Y253-S255 VanDerWaalsContact C-N 3.31Å; S255-E259 WeakPolarHBondContact CA-OE2 3.28Å; S255-E259 WeakPolarHBondContact CB-OE2 3.44Å; S255-R262 WeakPolarHBondContact OG-CA 3.34Å; S255-M263 PolarHBondContact OG-N 3.19Å; S255-M263 VanDerWaalsContact OG-N 3.16Å |
| 256 | K | 94.2 | Very high | 93.9 | Very high | 70 Ų | 70 | 64.2 Ų | 64.2 | 30% | 0.304 | 32% | 0.324 | S | S | . | . | trans | -71.8 | 159.3 | 170.4 | -58.5 | -177.4 | -165 | -147.4 | 0 | 110.7 | D192 Q258 E259 | D192-K256 WeakPolarHBondContact OD2-CD 3.16Å; D192-K256 WeakPolarHBondContact OD2-CE 3.47Å; D192-K256 IonicContact OD2-NZ 3.63Å; D192-K256 PolarHBondContact OD2-NZ 2.83Å; K256-Q258 PolarHBondContact O-N 2.89Å; K256-E259 HydrophobicContact CB-CG 4.34Å; K256-E259 VanDerWaalsContact CB-OE1 3.29Å; K256-E259 WeakPolarHBondContact CB-OE1 3.33Å; K256-E259 VanDerWaalsContact CG-OE1 3.3Å; K256-E259 WeakPolarHBondContact CG-OE1 3.47Å; K256-E259 PolarHBondContact N-OE1 3.41Å; K256-E259 VanDerWaalsContact N-OE1 3.12Å; K256-E259 PolarHBondContact O-N 2.83Å; K256-E259 VanDerWaalsContact O-N 3.15Å | ||
| 257 | I | 91.4 | Very high | 93.8 | Very high | 85 Ų | 85 | 63 Ų | 63 | 44% | 0.436 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -26.1 | -176.3 | -166.6 | 169.3 | 0 | 0 | 0 | 113.4 | H190 | H190-I257 HydrophobicContact CB-CB 4.1Š|
| 258 | Q | 91.3 | Very high | 93.8 | Very high | 160 Ų | 160 | 60.1 Ų | 60.1 | 75% | 0.748 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -14 | 179.4 | -60.8 | 81.2 | 11 | 0 | 0 | 113.5 | K256 | K256-Q258 PolarHBondContact O-N 2.89Š|
| 259 | E | 89.2 | Confident | 93.8 | Very high | 88 Ų | 88 | 62.2 Ų | 62.2 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | trans | -75 | 135.3 | 179.4 | -70 | 165.1 | -140.3 | 0 | 0 | 110.4 | S255 K256 | S255-E259 WeakPolarHBondContact CA-OE2 3.28Å; S255-E259 WeakPolarHBondContact CB-OE2 3.44Å; K256-E259 HydrophobicContact CB-CG 4.34Å; K256-E259 VanDerWaalsContact CB-OE1 3.29Å; K256-E259 WeakPolarHBondContact CB-OE1 3.33Å; K256-E259 VanDerWaalsContact CG-OE1 3.3Å; K256-E259 WeakPolarHBondContact CG-OE1 3.47Å; K256-E259 PolarHBondContact N-OE1 3.41Å; K256-E259 VanDerWaalsContact N-OE1 3.12Å; K256-E259 PolarHBondContact O-N 2.83Å; K256-E259 VanDerWaalsContact O-N 3.15Å | ||
| 260 | A | 85.3 | Confident | 93.8 | Very high | 98 Ų | 98 | 62 Ų | 62 | 81% | 0.81 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -68.3 | -39.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R262 | A260-R262 PolarHBondContact O-N 3.31Š|
| 261 | D | 87.9 | Confident | 93.8 | Very high | 133 Ų | 133 | 61.6 Ų | 61.6 | 71% | 0.711 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -88.6 | 98.4 | -178 | -69 | -26.7 | 0 | 0 | 0 | 110.5 | M263 | D261-M263 PolarHBondContact O-N 3.29Š|
| 262 | R | 88.5 | Confident | 93.9 | Very high | 147 Ų | 147 | 62.3 Ų | 62.3 | 56% | 0.555 | 32% | 0.32 | S | S | * | . | trans | -77 | 109.8 | 177.1 | -66.4 | -175.2 | -178.2 | 179.6 | 2 | 110.9 | Y253 S255 A260 | Y253-R262 HydrophobicContact CD1-CB 4.03Å; Y253-R262 HydrophobicContact CE1-CB 4.11Å; S255-R262 WeakPolarHBondContact OG-CA 3.34Å; A260-R262 PolarHBondContact O-N 3.31Å | ||
| 263 | M | 91.4 | Very high | 93.9 | Very high | 71 Ų | 71 | 64.1 Ų | 64.1 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | trans | -98.1 | 122 | 173 | -65.2 | -177.1 | 65.7 | 0 | 0 | 110.7 | K28 Y253 S254 S255 D261 | K28-M263 HydrophobicContact CB-CE 4.01Å; Y253-M263 CarbonylContact C-O 3.53Å; Y253-M263 WeakPolarHBondContact CA-O 3.39Å; Y253-M263 VanDerWaalsContact CB-O 3.24Å; Y253-M263 WeakPolarHBondContact CB-O 3.35Å; Y253-M263 WeakPolarHBondContact CD1-O 3.49Å; S254-M263 PolarHBondContact N-O 2.95Å; S254-M263 WeakPolarHBondContact OG-CB 3.4Å; S254-M263 PolarHBondContact OG-O 3.4Å; S255-M263 PolarHBondContact OG-N 3.19Å; S255-M263 VanDerWaalsContact OG-N 3.16Å; D261-M263 PolarHBondContact O-N 3.29Å | ||
| 264 | L | 94.9 | Very high | 94 | Very high | 64 Ų | 64 | 66.3 Ų | 66.3 | 34% | 0.335 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -63.3 | 141.7 | 171.5 | -75.9 | 171.2 | 0 | 0 | 0 | 109.8 | Y253 Q266 | Y253-L264 HydrophobicContact CD1-CD2 3.82Å; Y253-L264 HydrophobicContact CD1-CG 4.26Å; Y253-L264 HydrophobicContact CE1-CD2 3.45Å; Y253-L264 VanDerWaalsContact CE1-CD2 3.45Å; Y253-L264 HydrophobicContact CE1-CG 4.02Å; L264-Q266 HydrophobicContact CB-CG 4.11Å; L264-Q266 PolarHBondContact O-N 2.85Å |
| 265 | L | 96.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | trans | -83.9 | 97.8 | 175 | -159.5 | 152.6 | 0 | 0 | 0 | 108.2 | G86 W115 L252 N268 | G86-L265 VanDerWaalsContact C-CD1 3.45Å; G86-L265 WeakPolarHBondContact O-CD1 3.46Å; W115-L265 HydrophobicContact CH2-CD2 3.52Å; W115-L265 HydrophobicContact CZ2-CB 4.45Å; W115-L265 HydrophobicContact CZ2-CD2 3.16Å; W115-L265 HydrophobicContact CZ2-CG 4.34Å; W115-L265 PolarHBondContact NE1-O 3.49Å; L252-L265 HydrophobicContact CB-CB 3.99Å; L252-L265 PolarHBondContact O-N 3.37Å; L265-N268 HydrophobicContact CD2-CB 3.89Å | ||
| 266 | Q | 95.3 | Very high | 94.2 | Very high | 51 Ų | 51 | 70.7 Ų | 70.7 | 24% | 0.238 | 37% | 0.367 | C | S | . | . | trans | -142.1 | 163.2 | -177.5 | -67.1 | -177.2 | -34.9 | 0 | 0 | 109.7 | N117 E249 L264 N268 | N117-Q266 HydrophobicContact CB-CB 4Å; N117-Q266 HydrophobicContact CB-CG 4.36Å; E249-Q266 VanDerWaalsContact O-CG 3.29Å; E249-Q266 WeakPolarHBondContact O-CG 3.48Å; E249-Q266 PolarHBondContact O-NE2 2.82Å; L264-Q266 HydrophobicContact CB-CG 4.11Å; L264-Q266 PolarHBondContact O-N 2.85Å; Q266-N268 PolarHBondContact O-N 2.82Å | ||
| 267 | D | 95.8 | Very high | 94.2 | Very high | 43 Ų | 43 | 76.6 Ų | 76.6 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | trans | 54.6 | 45.5 | -176.5 | -59 | -38.8 | 0 | 0 | 0 | 111.8 | Q26 W115 N117 F269 | Q26-D267 PolarHBondContact OE1-O 3Å; W115-D267 PolarHBondContact O-N 2.94Å; N117-D267 VanDerWaalsContact CG-OD1 3.31Å; N117-D267 PolarHBondContact N-OD1 3.06Å; N117-D267 VanDerWaalsContact N-OD1 3.1Å; N117-D267 VanDerWaalsContact ND2-CG 3.31Å; N117-D267 PolarHBondContact ND2-OD1 2.58Å; N117-D267 VanDerWaalsContact ND2-OD1 3.09Å; N117-D267 PolarHBondContact ND2-OD2 3.27Å; D267-F269 HydrophobicContact CB-CE1 4.15Å; D267-F269 PolarHBondContact O-N 3.21Å | ||
| 268 | N | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 38% | 0.381 | C | S | . | . | trans | -40.6 | -12.9 | 173.8 | 106.7 | -41.7 | 0 | 0 | 0 | 123.3 | Q26 H87 L113 H114 W115 L265 Q266 | Q26-N268 VanDerWaalsContact NE2-C 3.29Å; Q26-N268 PolarHBondContact NE2-O 3.07Å; Q26-N268 PolarHBondContact OE1-O 3.05Å; H87-N268 WeakPolarHBondContact O-CB 3.34Å; H87-N268 PolarHBondContact O-ND2 3.2Å; L113-N268 PolarHBondContact O-ND2 3.4Å; H114-N268 PolarHBondContact ND1-O 3.05Å; W115-N268 WeakPolarHBondContact CZ3-ND2 3.38Å; W115-N268 PolarHBondContact N-OD1 2.95Å; W115-N268 PolarHBondContact O-N 2.88Å; W115-N268 PolarHBondContact O-OD1 3.35Å; L265-N268 HydrophobicContact CD2-CB 3.89Å; Q266-N268 PolarHBondContact O-N 2.82Å | ||
| 269 | F | 96.6 | Very high | 94.8 | Very high | 44 Ų | 44 | 69.1 Ų | 69.1 | 19% | 0.193 | 36% | 0.36 | C | S | . | . | trans | -130.7 | 138.6 | -143.8 | 64.9 | -94.3 | 0 | 0 | 0 | 109.5 | Q33 H114 E126 D267 | Q33-F269 PolarHBondContact NE2-O 3.33Å; H114-F269 HydrophobicContact CB-CB 4.2Å; E126-F269 HydrophobicContact CG-CB 3.55Å; D267-F269 HydrophobicContact CB-CE1 4.15Å; D267-F269 PolarHBondContact O-N 3.21Å | ||
| 270 | R | 97.7 | Very high | 95.3 | Very high | 6 Ų | 6 | 65.3 Ų | 65.3 | 2% | 0.023 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 140.4 | 172.8 | -163.3 | -168.9 | -172.9 | 179.4 | 4 | 110.3 | Q33 W36 C43 Q48 S49 P50 E126 T221 | Q33-R270 VanDerWaalsContact OE1-CA 3.22Å; W36-R270 HydrophobicContact CH2-CG 4.33Å; W36-R270 HydrophobicContact CZ3-CB 4.4Å; W36-R270 HydrophobicContact CZ3-CG 3.8Å; C43-R270 PolarHBondContact O-NH2 3.12Å; C43-R270 VanDerWaalsContact O-NH2 3.09Å; Q48-R270 VanDerWaalsContact OE1-NH2 3.12Å; S49-R270 WeakPolarHBondContact O-CD 3.43Å; S49-R270 PolarHBondContact O-NH1 2.97Å; P50-R270 HydrophobicContact CG-CB 4.46Å; P50-R270 WeakPolarHBondContact CG-O 3.26Å; E126-R270 VanDerWaalsContact OE1-CB 3.29Å; E126-R270 WeakPolarHBondContact OE1-CB 3.34Å; E126-R270 PolarHBondContact OE1-N 2.78Å; T221-R270 WeakPolarHBondContact O-CD 3.46Å |
| 271 | I | 96.3 | Very high | 95.9 | Very high | 108 Ų | 108 | 64.3 Ų | 64.3 | 55% | 0.554 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 152.8 | 171 | 63.8 | 173.4 | 0 | 0 | 0 | 111.3 | Q33 Q273 | Q33-I271 VanDerWaalsContact OE1-N 3.1Å; I271-Q273 PolarHBondContact O-N 3.43Å; I271-Q273 PolarHBondContact O-NE2 2.82Å |
| 272 | T | 98.1 | Very high | 96.4 | Very high | 61 Ų | 61 | 58 Ų | 58 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 139 | 176 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | T128 | T128-T272 HydrophobicContact CG2-CG2 4.03Š|
| 273 | Q | 98.5 | Very high | 96.8 | Very high | 39 Ų | 39 | 51.7 Ų | 51.7 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -102.5 | 153 | -177.8 | -55.8 | -62.5 | -57.1 | 0 | 0 | 109.7 | Q48 P50 I271 L275 | Q48-Q273 HydrophobicContact CB-CB 3.84Å; Q48-Q273 HydrophobicContact CB-CG 3.8Å; P50-Q273 WeakPolarHBondContact O-CB 3.47Å; P50-Q273 PolarHBondContact O-N 2.94Å; I271-Q273 PolarHBondContact O-N 3.43Å; I271-Q273 PolarHBondContact O-NE2 2.82Å; Q273-L275 PolarHBondContact O-N 2.96Å |
| 274 | P | 98.1 | Very high | 97 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 53% | 0.526 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 133.6 | 176.1 | -26.3 | 35.4 | 0 | 0 | 0 | 112.4 | N276 R278 | P274-N276 PolarHBondContact O-N 3.1Å; P274-N276 PolarHBondContact O-ND2 3.09Å; P274-R278 PolarHBondContact O-NH2 3.06Å |
| 275 | L | 97.8 | Very high | 96.8 | Very high | 44 Ų | 44 | 48.8 Ų | 48.8 | 23% | 0.23 | 25% | 0.253 | C | S | . | . | trans | -65.1 | -28.5 | 175.5 | -172 | 61.6 | 0 | 0 | 0 | 111.7 | V51 Q273 R278 I280 | V51-L275 HydrophobicContact CB-CD1 4.42Å; V51-L275 HydrophobicContact CG1-CD1 4.23Å; V51-L275 HydrophobicContact CG2-CD1 4.46Å; Q273-L275 PolarHBondContact O-N 2.96Å; L275-R278 HydrophobicContact CD1-CB 4.02Å; L275-R278 HydrophobicContact CG-CB 4.36Å; L275-R278 WeakPolarHBondContact O-CB 3.29Å; L275-R278 PolarHBondContact O-N 2.69Å; L275-R278 PolarHBondContact O-NE 3.45Å; L275-I280 HydrophobicContact CD1-CD1 3.91Å; L275-I280 HydrophobicContact CD1-CG1 3.81Å; L275-I280 HydrophobicContact CD2-CD1 4.38Å; L275-I280 HydrophobicContact CD2-CG1 4.33Å | ||
| 276 | N | 96.9 | Very high | 95.6 | Very high | 86 Ų | 86 | 52 Ų | 52 | 46% | 0.46 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | -133.2 | -174 | -63.2 | -43.3 | 0 | 0 | 0 | 110.5 | S46 P274 R278 | S46-N276 PolarHBondContact O-ND2 3.47Å; P274-N276 PolarHBondContact O-N 3.1Å; P274-N276 PolarHBondContact O-ND2 3.09Å; N276-R278 VanDerWaalsContact C-N 3.3Å; N276-R278 PolarHBondContact O-N 2.69Å |
| 277 | H | 94 | Very high | 93.9 | Very high | 194 Ų | 194 | 54.6 Ų | 54.6 | 90% | 0.898 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 8.6 | -177 | -55.5 | -61.3 | 0 | 0 | 0 | 113.9 | ||
| 278 | R | 97.8 | Very high | 91.7 | Very high | 35 Ų | 35 | 54.6 Ų | 54.6 | 13% | 0.132 | 30% | 0.299 | C | S | . | . | trans | -76 | 153.6 | -179 | -65.2 | 175.6 | -69.9 | 172 | -5 | 111.1 | S47 Q48 N217 P274 L275 N276 | S47-R278 PolarHBondContact O-NH1 3.45Å; Q48-R278 VanDerWaalsContact O-CZ 3.3Å; Q48-R278 PolarHBondContact O-NH1 2.74Å; Q48-R278 PolarHBondContact O-NH2 3Å; N217-R278 VanDerWaalsContact O-CD 3.25Å; N217-R278 WeakPolarHBondContact O-CD 3.48Å; N217-R278 PolarHBondContact O-NH1 3.29Å; P274-R278 PolarHBondContact O-NH2 3.06Å; L275-R278 HydrophobicContact CD1-CB 4.02Å; L275-R278 HydrophobicContact CG-CB 4.36Å; L275-R278 WeakPolarHBondContact O-CB 3.29Å; L275-R278 PolarHBondContact O-N 2.69Å; L275-R278 PolarHBondContact O-NE 3.45Å; N276-R278 VanDerWaalsContact C-N 3.3Å; N276-R278 PolarHBondContact O-N 2.69Å | ||
| 279 | V | 97.7 | Very high | 89.3 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 32% | 0.321 | 33% | 0.334 | S | S | . | . | trans | -111 | 135.5 | 172.3 | 177.4 | 0 | 0 | 0 | 0 | 108.2 | K59 F281 | K59-V279 HydrophobicContact CB-CG1 4.11Å; K59-V279 HydrophobicContact CD-CG1 3.8Å; K59-V279 HydrophobicContact CG-CG1 3.81Å; V279-F281 HydrophobicContact CB-CE2 4.39Å; V279-F281 HydrophobicContact CB-CZ 4.36Å; V279-F281 HydrophobicContact CG1-CD1 4.41Å; V279-F281 HydrophobicContact CG1-CE1 4.14Å; V279-F281 HydrophobicContact CG1-CE2 4.33Å; V279-F281 HydrophobicContact CG1-CZ 4.1Å | ||
| 280 | I | 98.6 | Very high | 86.7 | Confident | 7 Ų | 7 | 69.9 Ų | 69.9 | 4% | 0.036 | 36% | 0.361 | C | S | . | . | trans | -95.2 | 122.5 | 168.7 | -56.4 | -178.8 | 0 | 0 | 0 | 107.7 | V51 V53 T58 K59 Y214 Y216 L275 | V51-I280 HydrophobicContact CG2-CD1 3.81Å; V53-I280 HydrophobicContact CB-CD1 4.45Å; V53-I280 HydrophobicContact CG1-CD1 4.44Å; V53-I280 HydrophobicContact CG1-CG2 4.34Å; V53-I280 HydrophobicContact CG2-CD1 4.14Å; T58-I280 VanDerWaalsContact CA-O 3.29Å; T58-I280 WeakPolarHBondContact CA-O 3.47Å; T58-I280 HydrophobicContact CG2-CB 4.25Å; T58-I280 HydrophobicContact CG2-CG2 4.08Å; K59-I280 PolarHBondContact N-O 3.29Å; Y214-I280 HydrophobicContact CD1-CG2 4.35Å; Y214-I280 HydrophobicContact CG-CG2 4.39Å; Y216-I280 HydrophobicContact CG-CG1 4.47Å; L275-I280 HydrophobicContact CD1-CD1 3.91Å; L275-I280 HydrophobicContact CD1-CG1 3.81Å; L275-I280 HydrophobicContact CD2-CD1 4.38Å; L275-I280 HydrophobicContact CD2-CG1 4.33Å | ||
| 281 | F | 98.5 | Very high | 84 | Confident | 77 Ų | 77 | 79.8 Ų | 79.8 | 34% | 0.338 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 148.4 | 174.7 | -62 | -82.8 | 0 | 0 | 0 | 110.3 | K59 D61 L64 Y214 R215 V279 | K59-F281 HydrophobicContact CB-CD1 4.09Å; K59-F281 HydrophobicContact CB-CE1 4.39Å; K59-F281 CarbonylContact O-C 3.55Å; K59-F281 WeakPolarHBondContact O-CA 3.1Å; D61-F281 HydrophobicContact CB-CB 4.2Å; D61-F281 HydrophobicContact CB-CD1 3.92Å; D61-F281 HydrophobicContact CB-CG 4.38Å; L64-F281 HydrophobicContact CD1-CB 3.81Å; Y214-F281 CarbonylContact C-O 3.46Å; Y214-F281 WeakPolarHBondContact CA-O 3.39Å; R215-F281 HydrophobicContact CB-CB 4.43Å; R215-F281 PolarHBondContact N-O 2.97Å; R215-F281 PolarHBondContact O-N 3.34Å; V279-F281 HydrophobicContact CB-CE2 4.39Å; V279-F281 HydrophobicContact CB-CZ 4.36Å; V279-F281 HydrophobicContact CG1-CD1 4.41Å; V279-F281 HydrophobicContact CG1-CE1 4.14Å; V279-F281 HydrophobicContact CG1-CE2 4.33Å; V279-F281 HydrophobicContact CG1-CZ 4.1Å |
| 282 | A | 98.3 | Very high | 81.6 | Confident | 2 Ų | 2 | 80.3 Ų | 80.3 | 2% | 0.017 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 136.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | K59 Y60 D61 Y213 Y214 F284 | K59-A282 PolarHBondContact O-N 2.91Å; Y60-A282 WeakPolarHBondContact CA-O 3.42Å; Y60-A282 WeakPolarHBondContact CD2-O 3.33Å; D61-A282 PolarHBondContact N-O 3.43Å; Y213-A282 WeakPolarHBondContact O-CA 3.34Å; Y214-A282 HydrophobicContact CD1-CB 3.87Å; Y214-A282 HydrophobicContact CE1-CB 4.02Å; A282-F284 HydrophobicContact CB-CD1 4.45Å; A282-F284 HydrophobicContact CB-CE1 4.36Å; A282-F284 PolarHBondContact O-N 3.39Å |
| 283 | S | 97.8 | Very high | 79.1 | Confident | 13 Ų | 13 | 82.9 Ų | 82.9 | 9% | 0.091 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -77.2 | -3 | 176.4 | 64.4 | 0 | 0 | 0 | 0 | 113.6 | G211 R212 Y213 | G211-S283 WeakPolarHBondContact O-CB 3.41Å; G211-S283 PolarHBondContact O-OG 3.4Å; R212-S283 WeakPolarHBondContact CA-OG 3.13Å; Y213-S283 WeakPolarHBondContact CD1-OG 3.34Å; Y213-S283 PolarHBondContact N-OG 2.8Å; Y213-S283 PolarHBondContact O-N 2.87Å; Y213-S283 PolarHBondContact O-OG 2.84Å |
| 284 | F | 95.6 | Very high | 76.8 | Confident | 30 Ų | 30 | 84.2 Ų | 84.2 | 13% | 0.132 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -133.9 | 147.5 | -176.9 | 62.3 | -79.8 | 0 | 0 | 0 | 110.7 | Y60 R212 Y214 H235 A282 | Y60-F284 WeakPolarHBondContact CD2-O 3.32Å; R212-F284 HydrophobicContact CB-CD1 3.75Å; R212-F284 HydrophobicContact CB-CE1 4.11Å; R212-F284 HydrophobicContact CB-CG 4.24Å; R212-F284 HydrophobicContact CG-CB 4.04Å; R212-F284 HydrophobicContact CG-CD1 4.05Å; R212-F284 HydrophobicContact CG-CG 4.05Å; Y214-F284 HydrophobicContact CE1-CE1 4.07Å; Y214-F284 AromaticContact CE1-CZ 3.88Å; Y214-F284 HydrophobicContact CE1-CZ 3.88Å; Y214-F284 AromaticContact CZ-CZ 3.75Å; H235-F284 HydrophobicContact CB-CE1 3.87Å; H235-F284 HydrophobicContact CB-CZ 3.93Å; H235-F284 AromaticContact CG-CZ 3.66Å; H235-F284 AromaticContact ND1-CZ 3.8Å; A282-F284 HydrophobicContact CB-CD1 4.45Å; A282-F284 HydrophobicContact CB-CE1 4.36Å; A282-F284 PolarHBondContact O-N 3.39Å |
| 285 | S | 89.4 | Confident | 74.8 | Confident | 45 Ų | 45 | 83.8 Ų | 83.8 | 32% | 0.315 | 44% | 0.439 | S | S | . | . | trans | -76.8 | 145.9 | 175.3 | 85.5 | 0 | 0 | 0 | 0 | 110.7 | D287 S288 | S285-D287 PolarHBondContact O-N 3.46Å; S285-D287 VanDerWaalsContact O-N 3.1Å; S285-D287 PolarHBondContact OG-N 3.24Å; S285-S288 PolarHBondContact O-N 2.96Å; S285-S288 PolarHBondContact O-OG 3.36Å | ||
| 286 | A | 72.1 | Confident | 73 | Confident | 74 Ų | 74 | 85.5 Ų | 85.5 | 61% | 0.612 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -62.4 | -15.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S288 | A286-S288 VanDerWaalsContact C-N 3.28Å; A286-S288 PolarHBondContact O-N 3.03Å |
| 287 | D | 58.5 | Low | 71.5 | Confident | 104 Ų | 104 | 83.7 Ų | 83.7 | 56% | 0.556 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -80.1 | -6.4 | -173 | -144.9 | 17.4 | 0 | 0 | 0 | 113.4 | S285 R289 F290 | S285-D287 PolarHBondContact O-N 3.46Å; S285-D287 VanDerWaalsContact O-N 3.1Å; S285-D287 PolarHBondContact OG-N 3.24Å; D287-R289 PolarHBondContact O-N 2.99Å; D287-F290 PolarHBondContact O-N 2.88Å |
| 288 | S | 49.6 | Very low | 70.1 | Confident | 43 Ų | 43 | 80 Ų | 80 | 30% | 0.301 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -71 | -10.1 | 176.4 | 65.8 | 0 | 0 | 0 | 0 | 113.7 | S285 A286 F290 | S285-S288 PolarHBondContact O-N 2.96Å; S285-S288 PolarHBondContact O-OG 3.36Å; A286-S288 VanDerWaalsContact C-N 3.28Å; A286-S288 PolarHBondContact O-N 3.03Å; S288-F290 VanDerWaalsContact C-N 3.26Å; S288-F290 PolarHBondContact O-N 3.46Å |
| 289 | R | 47.4 | Very low | 68.8 | Low | 190 Ų | 190 | 81.5 Ų | 81.5 | 72% | 0.717 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -71 | -17.8 | 174.7 | -76.1 | -169.7 | -73.9 | -154.8 | -1.5 | 113.8 | D287 | D287-R289 PolarHBondContact O-N 2.99Š|
| 290 | F | 42 | Very low | 67.8 | Low | 176 Ų | 176 | 82.7 Ų | 82.7 | 77% | 0.772 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -102.4 | -0.2 | -179.6 | -81.2 | -80.3 | 0 | 0 | 0 | 114.7 | D287 S288 | D287-F290 PolarHBondContact O-N 2.88Å; S288-F290 VanDerWaalsContact C-N 3.26Å; S288-F290 PolarHBondContact O-N 3.46Å |
| 291 | R | 41.3 | Very low | 66.9 | Low | 213 Ų | 213 | 85.3 Ų | 85.3 | 80% | 0.804 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -94.3 | -6.3 | -179.5 | -67.3 | -170.4 | -175.4 | -139.3 | 1.8 | 115 | ||
| 292 | C | 44.9 | Very low | 66.1 | Low | 120 Ų | 120 | 87.1 Ų | 87.1 | 81% | 0.811 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -98.6 | 6.9 | -179 | -153.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 293 | V | 46.2 | Very low | 65.4 | Low | 115 Ų | 115 | 91 Ų | 91 | 70% | 0.697 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -133.1 | 122.2 | 169.1 | -175.9 | 0 | 0 | 0 | 0 | 106.7 | ||
| 294 | S | 50.5 | Low | 64.9 | Low | 67 Ų | 67 | 95 Ų | 95 | 47% | 0.469 | 54% | 0.541 | S | S | . | . | trans | 82.4 | 79.6 | 178 | -50 | 0 | 0 | 0 | 0 | 115.4 | A296 V299 | S294-A296 PolarHBondContact O-N 3.17Å; S294-V299 VanDerWaalsContact CB-CG2 3.49Å | ||
| 295 | S | 55.5 | Low | 64.6 | Low | 72 Ų | 72 | 95.7 Ų | 95.7 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | trans | -56.9 | 137.5 | 145.3 | 83.2 | 0 | 0 | 0 | 0 | 107.3 | G297 E298 | S295-G297 PolarHBondContact O-N 2.91Å; S295-E298 PolarHBondContact O-N 3.2Å; S295-E298 PolarHBondContact OG-N 3.08Å | ||
| 296 | A | 60.4 | Low | 64.6 | Low | 79 Ų | 79 | 97.7 Ų | 97.7 | 65% | 0.653 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -52.6 | -24 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S294 T300 | S294-A296 PolarHBondContact O-N 3.17Å; A296-T300 WeakPolarHBondContact O-CB 3.41Å; A296-T300 PolarHBondContact O-N 3.22Å; A296-T300 PolarHBondContact O-OG1 3.5Å |
| 297 | G | 64.4 | Low | 65.4 | Low | 48 Ų | 48 | 100 Ų | 100 | 50% | 0.495 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.4 | -38.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S295 T300 A301 | S295-G297 PolarHBondContact O-N 2.91Å; G297-T300 PolarHBondContact O-N 3.44Å; G297-A301 WeakPolarHBondContact O-CB 3.47Å; G297-A301 PolarHBondContact O-N 3.21Å |
| 298 | E | 66.2 | Low | 67 | Low | 118 Ų | 118 | 99 Ų | 99 | 55% | 0.551 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.8 | -41.3 | 179.6 | -81.4 | -178.4 | 144.9 | 0 | 0 | 112.4 | S295 T300 A301 I302 | S295-E298 PolarHBondContact O-N 3.2Å; S295-E298 PolarHBondContact OG-N 3.08Å; E298-T300 VanDerWaalsContact C-N 3.29Å; E298-T300 PolarHBondContact O-N 3.24Å; E298-A301 PolarHBondContact O-N 2.88Å; E298-I302 WeakPolarHBondContact O-CG1 3.48Å; E298-I302 PolarHBondContact O-N 3.42Å |
| 299 | V | 70.6 | Confident | 68.9 | Low | 66 Ų | 66 | 98.9 Ų | 98.9 | 40% | 0.4 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63 | -42 | 175.4 | 178 | 0 | 0 | 0 | 0 | 110 | S294 A301 I302 V303 | S294-V299 VanDerWaalsContact CB-CG2 3.49Å; V299-A301 VanDerWaalsContact C-N 3.34Å; V299-A301 PolarHBondContact O-N 2.78Å; V299-I302 PolarHBondContact O-N 3.25Å; V299-V303 HydrophobicContact CG1-CG2 4.4Å; V299-V303 WeakPolarHBondContact O-CB 3.28Å; V299-V303 VanDerWaalsContact O-CG2 3.26Å; V299-V303 WeakPolarHBondContact O-CG2 3.34Å; V299-V303 PolarHBondContact O-N 3.4Å |
| 300 | T | 75.4 | Confident | 71 | Confident | 77 Ų | 77 | 93.5 Ų | 93.5 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.3 | -43.4 | 175.7 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | A296 G297 E298 V303 I304 | A296-T300 WeakPolarHBondContact O-CB 3.41Å; A296-T300 PolarHBondContact O-N 3.22Å; A296-T300 PolarHBondContact O-OG1 3.5Å; G297-T300 PolarHBondContact O-N 3.44Å; E298-T300 VanDerWaalsContact C-N 3.29Å; E298-T300 PolarHBondContact O-N 3.24Å; T300-V303 PolarHBondContact O-N 3.23Å; T300-I304 HydrophobicContact CG2-CD1 3.69Å; T300-I304 HydrophobicContact CG2-CG1 4.39Å; T300-I304 WeakPolarHBondContact O-CB 3.42Å; T300-I304 VanDerWaalsContact O-CG1 3.22Å; T300-I304 WeakPolarHBondContact O-CG1 3.3Å; T300-I304 PolarHBondContact O-N 2.84Å |
| 301 | A | 79.2 | Confident | 73.3 | Confident | 62 Ų | 62 | 89.5 Ų | 89.5 | 51% | 0.512 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.5 | -41.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G297 E298 V299 G305 | G297-A301 WeakPolarHBondContact O-CB 3.47Å; G297-A301 PolarHBondContact O-N 3.21Å; E298-A301 PolarHBondContact O-N 2.88Å; V299-A301 VanDerWaalsContact C-N 3.34Å; V299-A301 PolarHBondContact O-N 2.78Å; A301-G305 PolarHBondContact O-N 3.42Å |
| 302 | I | 82.3 | Confident | 75.6 | Confident | 115 Ų | 115 | 81 Ų | 81 | 59% | 0.59 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.2 | -46.6 | 176.7 | -67.4 | 168.5 | 0 | 0 | 0 | 110.4 | E298 V299 I304 G305 V306 | E298-I302 WeakPolarHBondContact O-CG1 3.48Å; E298-I302 PolarHBondContact O-N 3.42Å; V299-I302 PolarHBondContact O-N 3.25Å; I302-I304 PolarHBondContact O-N 2.84Å; I302-G305 PolarHBondContact O-N 2.93Å; I302-V306 HydrophobicContact CG2-CG2 4.47Å; I302-V306 VanDerWaalsContact O-CG2 3.32Å; I302-V306 WeakPolarHBondContact O-CG2 3.43Å; I302-V306 PolarHBondContact O-N 3.25Å |
| 303 | V | 84.8 | Confident | 77.9 | Confident | 84 Ų | 84 | 79.2 Ų | 79.2 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -45 | 179.9 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | V299 T300 V306 M307 | V299-V303 HydrophobicContact CG1-CG2 4.4Å; V299-V303 WeakPolarHBondContact O-CB 3.28Å; V299-V303 VanDerWaalsContact O-CG2 3.26Å; V299-V303 WeakPolarHBondContact O-CG2 3.34Å; V299-V303 PolarHBondContact O-N 3.4Å; T300-V303 PolarHBondContact O-N 3.23Å; V303-V306 PolarHBondContact O-N 3.05Å; V303-M307 WeakPolarHBondContact O-CB 3.3Å; V303-M307 VanDerWaalsContact O-CG 3.27Å; V303-M307 WeakPolarHBondContact O-CG 3.29Å; V303-M307 PolarHBondContact O-N 2.95Å |
| 304 | I | 86.1 | Confident | 79.8 | Confident | 97 Ų | 97 | 76.5 Ų | 76.5 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 176.5 | -67.9 | 170.1 | 0 | 0 | 0 | 110.5 | T300 I302 V306 M307 C308 | T300-I304 HydrophobicContact CG2-CD1 3.69Å; T300-I304 HydrophobicContact CG2-CG1 4.39Å; T300-I304 WeakPolarHBondContact O-CB 3.42Å; T300-I304 VanDerWaalsContact O-CG1 3.22Å; T300-I304 WeakPolarHBondContact O-CG1 3.3Å; T300-I304 PolarHBondContact O-N 2.84Å; I302-I304 PolarHBondContact O-N 2.84Å; I304-V306 PolarHBondContact O-N 3.48Å; I304-M307 PolarHBondContact O-N 3.49Å; I304-C308 WeakPolarHBondContact O-CB 3.41Å; I304-C308 PolarHBondContact O-N 3.16Å; I304-C308 PolarHBondContact O-SG 2.99Å; I304-C308 VanDerWaalsContact O-SG 3.39Å |
| 305 | G | 89 | Confident | 81.6 | Confident | 44 Ų | 44 | 77.4 Ų | 77.4 | 45% | 0.454 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A301 I302 G309 | A301-G305 PolarHBondContact O-N 3.42Å; I302-G305 PolarHBondContact O-N 2.93Å; G305-G309 PolarHBondContact O-N 2.97Å |
| 306 | V | 90.7 | Very high | 83.2 | Confident | 88 Ų | 88 | 79 Ų | 79 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 176.6 | 172.4 | 0 | 0 | 0 | 0 | 111 | I302 V303 I304 C308 G309 C310 | I302-V306 HydrophobicContact CG2-CG2 4.47Å; I302-V306 VanDerWaalsContact O-CG2 3.32Å; I302-V306 WeakPolarHBondContact O-CG2 3.43Å; I302-V306 PolarHBondContact O-N 3.25Å; V303-V306 PolarHBondContact O-N 3.05Å; I304-V306 PolarHBondContact O-N 3.48Å; V306-C308 PolarHBondContact O-N 3.45Å; V306-G309 PolarHBondContact O-N 3.03Å; V306-C310 PolarHBondContact O-N 3.46Å; V306-C310 PolarHBondContact O-SG 3.18Å; V306-C310 VanDerWaalsContact O-SG 3.34Å |
| 307 | M | 89.3 | Confident | 84.5 | Confident | 121 Ų | 121 | 79.7 Ų | 79.7 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 178.6 | -72.5 | -64.7 | -70.4 | 0 | 0 | 112.1 | V303 I304 G309 C310 V311 | V303-M307 WeakPolarHBondContact O-CB 3.3Å; V303-M307 VanDerWaalsContact O-CG 3.27Å; V303-M307 WeakPolarHBondContact O-CG 3.29Å; V303-M307 PolarHBondContact O-N 2.95Å; I304-M307 PolarHBondContact O-N 3.49Å; M307-G309 VanDerWaalsContact C-N 3.33Å; M307-G309 PolarHBondContact O-N 3.35Å; M307-C310 PolarHBondContact O-N 3.38Å; M307-V311 WeakPolarHBondContact O-CG2 3.49Å; M307-V311 PolarHBondContact O-N 3.2Å; M307-V311 VanDerWaalsContact O-N 3.08Å |
| 308 | C | 90.4 | Very high | 85.6 | Confident | 85 Ų | 85 | 87.1 Ų | 87.1 | 57% | 0.574 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -40.5 | 175.6 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | I304 V306 V311 G312 | I304-C308 WeakPolarHBondContact O-CB 3.41Å; I304-C308 PolarHBondContact O-N 3.16Å; I304-C308 PolarHBondContact O-SG 2.99Å; I304-C308 VanDerWaalsContact O-SG 3.39Å; V306-C308 PolarHBondContact O-N 3.45Å; C308-V311 PolarHBondContact O-N 2.77Å; C308-G312 PolarHBondContact O-N 3.16Å |
| 309 | G | 90.4 | Very high | 86.4 | Confident | 39 Ų | 39 | 88.6 Ų | 88.6 | 40% | 0.402 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G305 V306 M307 V311 G312 V313 | G305-G309 PolarHBondContact O-N 2.97Å; V306-G309 PolarHBondContact O-N 3.03Å; M307-G309 VanDerWaalsContact C-N 3.33Å; M307-G309 PolarHBondContact O-N 3.35Å; G309-V311 VanDerWaalsContact C-N 3.35Å; G309-V311 PolarHBondContact O-N 3.43Å; G309-G312 PolarHBondContact O-N 3.13Å; G309-V313 WeakPolarHBondContact O-CG2 3.28Å; G309-V313 PolarHBondContact O-N 2.93Å |
| 310 | C | 91.5 | Very high | 87.1 | Confident | 78 Ų | 78 | 89.7 Ų | 89.7 | 53% | 0.527 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 177.5 | -69.3 | 0 | 0 | 0 | 0 | 112.5 | V306 M307 V313 A314 | V306-C310 PolarHBondContact O-N 3.46Å; V306-C310 PolarHBondContact O-SG 3.18Å; V306-C310 VanDerWaalsContact O-SG 3.34Å; M307-C310 PolarHBondContact O-N 3.38Å; C310-V313 PolarHBondContact O-N 3.16Å; C310-A314 WeakPolarHBondContact O-CB 3.47Å; C310-A314 PolarHBondContact O-N 2.92Å |
| 311 | V | 90.9 | Very high | 87.5 | Confident | 92 Ų | 92 | 90.2 Ų | 90.2 | 56% | 0.558 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | 175.4 | 175 | 0 | 0 | 0 | 0 | 110.8 | M307 C308 G309 V313 A314 V315 | M307-V311 WeakPolarHBondContact O-CG2 3.49Å; M307-V311 PolarHBondContact O-N 3.2Å; M307-V311 VanDerWaalsContact O-N 3.08Å; C308-V311 PolarHBondContact O-N 2.77Å; G309-V311 VanDerWaalsContact C-N 3.35Å; G309-V311 PolarHBondContact O-N 3.43Å; V311-V313 PolarHBondContact O-N 3.04Å; V311-A314 PolarHBondContact O-N 3.42Å; V311-V315 HydrophobicContact CG1-CG2 4.45Å; V311-V315 WeakPolarHBondContact O-CG2 3.43Å; V311-V315 PolarHBondContact O-N 2.7Å |
| 312 | G | 89.8 | Confident | 87.4 | Confident | 33 Ų | 33 | 95.1 Ų | 95.1 | 34% | 0.34 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58 | -46.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C308 G309 A314 V315 I316 | C308-G312 PolarHBondContact O-N 3.16Å; G309-G312 PolarHBondContact O-N 3.13Å; G312-A314 PolarHBondContact O-N 3.27Å; G312-V315 PolarHBondContact O-N 3.41Å; G312-I316 WeakPolarHBondContact O-CG1 2.99Å; G312-I316 PolarHBondContact O-N 3.18Å |
| 313 | V | 91.3 | Very high | 87 | Confident | 83 Ų | 83 | 94.5 Ų | 94.5 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | G309 C310 V311 V315 I316 I317 | G309-V313 WeakPolarHBondContact O-CG2 3.28Å; G309-V313 PolarHBondContact O-N 2.93Å; C310-V313 PolarHBondContact O-N 3.16Å; V311-V313 PolarHBondContact O-N 3.04Å; V313-V315 VanDerWaalsContact C-N 3.33Å; V313-V315 PolarHBondContact O-N 3.09Å; V313-I316 PolarHBondContact O-N 3.06Å; V313-I317 HydrophobicContact CG1-CD1 3.64Å; V313-I317 HydrophobicContact CG1-CG1 4.29Å; V313-I317 WeakPolarHBondContact O-CB 3.35Å; V313-I317 VanDerWaalsContact O-CG1 3.26Å; V313-I317 WeakPolarHBondContact O-CG1 3.14Å; V313-I317 PolarHBondContact O-N 3.21Å |
| 314 | A | 87.6 | Confident | 86.5 | Confident | 58 Ų | 58 | 97.1 Ų | 97.1 | 48% | 0.479 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C310 V311 G312 R318 | C310-A314 WeakPolarHBondContact O-CB 3.47Å; C310-A314 PolarHBondContact O-N 2.92Å; V311-A314 PolarHBondContact O-N 3.42Å; G312-A314 PolarHBondContact O-N 3.27Å; A314-R318 WeakPolarHBondContact O-CB 3.08Å; A314-R318 PolarHBondContact O-N 2.98Å |
| 315 | V | 88.8 | Confident | 85.2 | Confident | 87 Ų | 87 | 105.6 Ų | 105.6 | 53% | 0.527 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.5 | -44.3 | 176 | 172.6 | 0 | 0 | 0 | 0 | 111 | V311 G312 V313 R318 F319 | V311-V315 HydrophobicContact CG1-CG2 4.45Å; V311-V315 WeakPolarHBondContact O-CG2 3.43Å; V311-V315 PolarHBondContact O-N 2.7Å; G312-V315 PolarHBondContact O-N 3.41Å; V313-V315 VanDerWaalsContact C-N 3.33Å; V313-V315 PolarHBondContact O-N 3.09Å; V315-R318 PolarHBondContact O-N 2.71Å; V315-F319 PolarHBondContact O-N 3.41Å |
| 316 | I | 88.8 | Confident | 85 | Confident | 104 Ų | 104 | 108.7 Ų | 108.7 | 53% | 0.533 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.1 | -48.4 | 177.1 | -69 | 166.9 | 0 | 0 | 0 | 110.5 | G312 V313 R318 F319 I320 | G312-I316 WeakPolarHBondContact O-CG1 2.99Å; G312-I316 PolarHBondContact O-N 3.18Å; V313-I316 PolarHBondContact O-N 3.06Å; I316-R318 VanDerWaalsContact C-N 3.31Å; I316-R318 PolarHBondContact O-N 3.38Å; I316-F319 PolarHBondContact O-N 3.16Å; I316-F319 VanDerWaalsContact O-N 3.13Å; I316-I320 HydrophobicContact CG2-CD1 3.75Å; I316-I320 HydrophobicContact CG2-CG1 4.39Å; I316-I320 WeakPolarHBondContact O-CG1 3.46Å; I316-I320 PolarHBondContact O-N 2.78Å |
| 317 | I | 87.6 | Confident | 84.7 | Confident | 95 Ų | 95 | 109.8 Ų | 109.8 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58.3 | -45.5 | 177.5 | -69.4 | 169.4 | 0 | 0 | 0 | 110.3 | V313 F319 I320 V321 | V313-I317 HydrophobicContact CG1-CD1 3.64Å; V313-I317 HydrophobicContact CG1-CG1 4.29Å; V313-I317 WeakPolarHBondContact O-CB 3.35Å; V313-I317 VanDerWaalsContact O-CG1 3.26Å; V313-I317 WeakPolarHBondContact O-CG1 3.14Å; V313-I317 PolarHBondContact O-N 3.21Å; I317-F319 VanDerWaalsContact C-N 3.3Å; I317-F319 PolarHBondContact O-N 3.25Å; I317-I320 PolarHBondContact O-N 3.12Å; I317-V321 HydrophobicContact CG2-CG2 4.28Å; I317-V321 WeakPolarHBondContact O-CB 3.24Å; I317-V321 WeakPolarHBondContact O-CG2 3.4Å; I317-V321 PolarHBondContact O-N 3.07Å |
| 318 | R | 86.1 | Confident | 84.4 | Confident | 203 Ų | 203 | 109.2 Ų | 109.2 | 77% | 0.766 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.8 | -38.1 | 177.9 | -170.6 | -177.5 | -178.7 | -177.4 | 1.7 | 112.2 | A314 V315 I316 K322 | A314-R318 WeakPolarHBondContact O-CB 3.08Å; A314-R318 PolarHBondContact O-N 2.98Å; V315-R318 PolarHBondContact O-N 2.71Å; I316-R318 VanDerWaalsContact C-N 3.31Å; I316-R318 PolarHBondContact O-N 3.38Å; R318-K322 WeakPolarHBondContact O-CB 3.48Å; R318-K322 PolarHBondContact O-N 3.15Å; R318-K322 VanDerWaalsContact O-N 3.1Å |
| 319 | F | 84.8 | Confident | 84.1 | Confident | 149 Ų | 149 | 110.6 Ų | 110.6 | 65% | 0.654 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.2 | -47.9 | 177.8 | -143 | -84.5 | 0 | 0 | 0 | 111 | V315 I316 I317 V321 K322 T323 | V315-F319 PolarHBondContact O-N 3.41Å; I316-F319 PolarHBondContact O-N 3.16Å; I316-F319 VanDerWaalsContact O-N 3.13Å; I317-F319 VanDerWaalsContact C-N 3.3Å; I317-F319 PolarHBondContact O-N 3.25Å; F319-V321 PolarHBondContact O-N 3.41Å; F319-K322 PolarHBondContact O-N 3.21Å; F319-K322 VanDerWaalsContact O-N 3.12Å; F319-T323 PolarHBondContact O-N 2.9Å; F319-T323 PolarHBondContact O-OG1 3.18Å; F319-T323 VanDerWaalsContact O-OG1 3.04Å |
| 320 | I | 84.9 | Confident | 83.7 | Confident | 89 Ų | 89 | 115.1 Ų | 115.1 | 46% | 0.456 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -57.5 | -47.9 | 176.7 | -68 | 170.6 | 0 | 0 | 0 | 110.9 | I316 I317 K322 T323 I324 | I316-I320 HydrophobicContact CG2-CD1 3.75Å; I316-I320 HydrophobicContact CG2-CG1 4.39Å; I316-I320 WeakPolarHBondContact O-CG1 3.46Å; I316-I320 PolarHBondContact O-N 2.78Å; I317-I320 PolarHBondContact O-N 3.12Å; I320-K322 VanDerWaalsContact C-N 3.27Å; I320-K322 PolarHBondContact O-N 3.33Å; I320-T323 PolarHBondContact O-N 3.14Å; I320-I324 HydrophobicContact CG2-CD1 3.6Å; I320-I324 HydrophobicContact CG2-CG1 4.49Å; I320-I324 WeakPolarHBondContact O-CG1 3.34Å; I320-I324 PolarHBondContact O-N 3.05Å; I320-I324 VanDerWaalsContact O-N 3.1Å |
| 321 | V | 83.5 | Confident | 83.1 | Confident | 88 Ų | 88 | 117.5 Ų | 117.5 | 53% | 0.533 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.7 | -34.9 | 178.6 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | I317 F319 | I317-V321 HydrophobicContact CG2-CG2 4.28Å; I317-V321 WeakPolarHBondContact O-CB 3.24Å; I317-V321 WeakPolarHBondContact O-CG2 3.4Å; I317-V321 PolarHBondContact O-N 3.07Å; F319-V321 PolarHBondContact O-N 3.41Å |
| 322 | K | 77.8 | Confident | 82.6 | Confident | 166 Ų | 166 | 119.4 Ų | 119.4 | 72% | 0.722 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -76.3 | -29.1 | 177.7 | -168.7 | -178.6 | 176.9 | -172.6 | 0 | 112.9 | R318 F319 I320 | R318-K322 WeakPolarHBondContact O-CB 3.48Å; R318-K322 PolarHBondContact O-N 3.15Å; R318-K322 VanDerWaalsContact O-N 3.1Å; F319-K322 PolarHBondContact O-N 3.21Å; F319-K322 VanDerWaalsContact O-N 3.12Å; I320-K322 VanDerWaalsContact C-N 3.27Å; I320-K322 PolarHBondContact O-N 3.33Å |
| 323 | T | 73.3 | Confident | 82 | Confident | 101 Ų | 101 | 126 Ų | 126 | 62% | 0.62 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -80.7 | -23.9 | 178.4 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | F319 I320 | F319-T323 PolarHBondContact O-N 2.9Å; F319-T323 PolarHBondContact O-OG1 3.18Å; F319-T323 VanDerWaalsContact O-OG1 3.04Å; I320-T323 PolarHBondContact O-N 3.14Å |
| 324 | I | 74.8 | Confident | 81.3 | Confident | 139 Ų | 139 | 129.6 Ų | 129.6 | 71% | 0.713 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -87.3 | -15.2 | 179.2 | -65 | 171.3 | 0 | 0 | 0 | 112.4 | I320 | I320-I324 HydrophobicContact CG2-CD1 3.6Å; I320-I324 HydrophobicContact CG2-CG1 4.49Å; I320-I324 WeakPolarHBondContact O-CG1 3.34Å; I320-I324 PolarHBondContact O-N 3.05Å; I320-I324 VanDerWaalsContact O-N 3.1Å |
| 325 | R | 57.4 | Low | 80.7 | Confident | 276 Ų | 276 | 136.1 Ų | 136.1 | 100% | 1.042 | 64% | 0.641 | S | S | * | * | trans | -93.7 | 0 | 171.3 | -96.7 | -174.3 | 167.2 | -177.3 | -2.8 | 111.4 |
Retrieved 325 of 325 residues in 581.4 ms
(Link to these results)