| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.8 | Very low | 58.6 | Low | 246 Ų | 246 | 131.5 Ų | 131.5 | 100% | 1.212 | 72% | 0.718 | S | S | * | * | 0 | 113.4 | 0 | -66.9 | -175.7 | -166.1 | 0 | 0 | 109.3 | |||||
| 2 | G | 46.6 | Very low | 60 | Low | 77 Ų | 77 | 124.2 Ų | 124.2 | 79% | 0.794 | 68% | 0.681 | S | S | * | * | trans | -69.7 | 134 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R4 | G2-R4 PolarHBondContact O-N 3.35Å; G2-R4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | R | 65.2 | Low | 61.2 | Low | 200 Ų | 200 | 123.8 Ų | 123.8 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | trans | -61.7 | 111.7 | 176.7 | -72.7 | -165.7 | -95.4 | -128.9 | -4.2 | 109.7 | A5 D240 | R3-A5 PolarHBondContact O-N 3.07Å; R3-D240 IonicContact CZ-OD1 3.71Å; R3-D240 IonicContact NH1-OD1 2.68Å; R3-D240 PolarHBondContact NH1-OD1 3.06Å; R3-D240 VanDerWaalsContact NH1-OD1 3.12Å; R3-D240 IonicContact NH2-OD1 3.86Å; R3-D240 PolarHBondContact NH2-OD1 3.04Å; R3-D240 IonicContact NH2-OD2 3.56Å | ||
| 4 | R | 60.5 | Low | 62.2 | Low | 219 Ų | 219 | 131.4 Ų | 131.4 | 83% | 0.826 | 68% | 0.683 | S | S | * | * | trans | -58.5 | 125.7 | 170.9 | -72.7 | -178.6 | 173.1 | -111.3 | 0.8 | 109.8 | G2 C6 R38 | G2-R4 PolarHBondContact O-N 3.35Å; G2-R4 VanDerWaalsContact O-N 3.1Å; R4-C6 PolarHBondContact O-N 3.07Å; R4-R38 PolarHBondContact O-NH1 3.22Å; R4-R38 VanDerWaalsContact O-NH1 3.12Å | ||
| 5 | A | 61.1 | Low | 63.7 | Low | 93 Ų | 93 | 126.1 Ų | 126.1 | 77% | 0.769 | 67% | 0.673 | S | S | * | * | trans | -54.2 | 120.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | R3 C7 | R3-A5 PolarHBondContact O-N 3.07Å; A5-C7 PolarHBondContact O-N 3.14Å | ||
| 6 | C | 58.7 | Low | 65.3 | Low | 66 Ų | 66 | 123.9 Ų | 123.9 | 45% | 0.446 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -68 | 1.1 | -168.1 | -52.5 | 0 | 0 | 0 | 0 | 115.2 | R4 R38 | R4-C6 PolarHBondContact O-N 3.07Å; C6-R38 PolarHBondContact SG-NH1 2.8Å; C6-R38 PolarHBondContact SG-NH2 2.72Å |
| 7 | C | 60.8 | Low | 66.8 | Low | 54 Ų | 54 | 119.3 Ų | 119.3 | 37% | 0.365 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -140.4 | 118.3 | -173.6 | -50.4 | 0 | 0 | 0 | 0 | 109 | A5 K9 C49 | A5-C7 PolarHBondContact O-N 3.14Å; C7-K9 PolarHBondContact O-N 3.21Å; C7-K9 VanDerWaalsContact O-N 3.13Å; C7-C49 HydrophobicContact CB-CB 4.39Å; C7-C49 WeakPolarHBondContact SG-CB 3.47Å |
| 8 | A | 58.3 | Low | 68.2 | Low | 81 Ų | 81 | 116.8 Ų | 116.8 | 67% | 0.669 | 64% | 0.638 | S | S | * | * | trans | -59.6 | 116.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | E10 V12 | A8-E10 PolarHBondContact O-N 3.27Å; A8-V12 WeakPolarHBondContact O-CG2 3.48Å | ||
| 9 | K | 60 | Low | 69.5 | Low | 192 Ų | 192 | 115.4 Ų | 115.4 | 84% | 0.835 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -64 | -11.8 | -172 | -87.5 | 175.2 | 175.6 | 177 | 0 | 113.1 | C7 | C7-K9 PolarHBondContact O-N 3.21Å; C7-K9 VanDerWaalsContact O-N 3.13Å |
| 10 | E | 61.3 | Low | 70.8 | Confident | 180 Ų | 180 | 118.6 Ų | 118.6 | 84% | 0.841 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -94.6 | 118.7 | -172.9 | -54.7 | -156 | 163.3 | 0 | 0 | 111.8 | A8 | A8-E10 PolarHBondContact O-N 3.27Š|
| 11 | G | 67.8 | Low | 71.8 | Confident | 38 Ų | 38 | 113.8 Ų | 113.8 | 39% | 0.392 | 62% | 0.617 | S | S | . | * | S | Bend | trans | 82.6 | 14.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | R47 | G11-R47 VanDerWaalsContact CA-NH2 3.29Å; G11-R47 VanDerWaalsContact O-CZ 3.3Å; G11-R47 PolarHBondContact O-NE 3.42Å; G11-R47 PolarHBondContact O-NH2 3.47Å |
| 12 | V | 74.4 | Confident | 74.2 | Confident | 44 Ų | 44 | 102.8 Ų | 102.8 | 27% | 0.267 | 56% | 0.564 | S | S | . | * | trans | -78.6 | 120.9 | 174.2 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | A8 R14 R47 | A8-V12 WeakPolarHBondContact O-CG2 3.48Å; V12-R14 PolarHBondContact O-N 2.99Å; V12-R47 CarbonylContact C-O 3.57Å; V12-R47 WeakPolarHBondContact CA-O 3.5Å | ||
| 13 | K | 76.1 | Confident | 76.5 | Confident | 119 Ų | 119 | 104.3 Ų | 104.3 | 52% | 0.517 | 55% | 0.554 | S | S | . | * | trans | -66.8 | 117.8 | 174.3 | -70.3 | -174.6 | 176.7 | -179.1 | 0 | 109.7 | R47 R48 | K13-R47 HydrophobicContact CG-CB 4.39Å; K13-R47 PolarHBondContact N-O 3.21Å; K13-R48 VanDerWaalsContact O-CD 3.31Å; K13-R48 WeakPolarHBondContact O-CD 3.41Å | ||
| 14 | R | 75.3 | Confident | 77.8 | Confident | 230 Ų | 230 | 96.4 Ų | 96.4 | 87% | 0.868 | 53% | 0.531 | S | S | * | . | trans | -101.2 | 115 | 169 | -60.1 | -175.6 | -173.2 | 178.6 | 3.6 | 107.3 | V12 | V12-R14 PolarHBondContact O-N 2.99Š| ||
| 15 | G | 84.5 | Confident | 79.4 | Confident | 53 Ų | 53 | 86 Ų | 86 | 55% | 0.546 | 49% | 0.492 | S | S | . | . | S | Bend | trans | 164.4 | -177.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R48 | G15-R48 PolarHBondContact O-NH1 3.29Š|
| 16 | A | 89 | Confident | 80.9 | Confident | 90 Ų | 90 | 83 Ų | 83 | 74% | 0.744 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 142.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | R48 | A16-R48 PolarHBondContact O-NH2 2.89Š|
| 17 | W | 91.2 | Very high | 82.5 | Confident | 46 Ų | 46 | 82.9 Ų | 82.9 | 17% | 0.174 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 131.5 | 174.6 | -78.8 | 84.1 | 0 | 0 | 0 | 109.5 | E21 D22 L25 L46 R48 S52 C53 R56 | W17-E21 HydrophobicContact CE3-CB 3.89Å; W17-E21 HydrophobicContact CZ3-CB 4.16Å; W17-D22 VanDerWaalsContact CE3-OD1 3.3Å; W17-L25 HydrophobicContact CH2-CD2 3.82Å; W17-L25 HydrophobicContact CZ3-CD2 3.89Å; W17-L46 HydrophobicContact CH2-CD2 3.87Å; W17-L46 HydrophobicContact CZ3-CD2 3.5Å; W17-L46 VanDerWaalsContact CZ3-CD2 3.5Å; W17-R48 HydrophobicContact CH2-CB 4.31Å; W17-R48 HydrophobicContact CH2-CG 4.03Å; W17-R48 HydrophobicContact CZ2-CG 4.32Å; W17-R48 HydrophobicContact CZ3-CG 4.38Å; W17-S52 WeakPolarHBondContact CZ2-O 2.95Å; W17-S52 VanDerWaalsContact CZ2-OG 3.25Å; W17-S52 WeakPolarHBondContact CZ2-OG 3.33Å; W17-C53 HydrophobicContact CH2-CB 4.45Å; W17-R56 HydrophobicContact CD2-CB 4.18Å; W17-R56 HydrophobicContact CD2-CG 3.68Å; W17-R56 HydrophobicContact CE3-CG 3.94Å; W17-R56 HydrophobicContact CG-CG 4.06Å; W17-R56 HydrophobicContact CH2-CB 4.09Å; W17-R56 HydrophobicContact CH2-CG 4.29Å; W17-R56 HydrophobicContact CZ2-CB 3.61Å; W17-R56 HydrophobicContact CZ2-CG 4.03Å; W17-R56 HydrophobicContact CZ3-CG 4.22Å |
| 18 | T | 92.8 | Very high | 84.1 | Confident | 75 Ų | 75 | 81.2 Ų | 81.2 | 46% | 0.46 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -88 | 149.8 | 173.4 | 58.3 | 0 | 0 | 0 | 0 | 110 | K20 E21 D22 | T18-K20 PolarHBondContact O-N 3.11Å; T18-E21 PolarHBondContact N-OE2 2.94Å; T18-E21 WeakPolarHBondContact O-CB 3.21Å; T18-E21 PolarHBondContact O-N 3.27Å; T18-E21 WeakPolarHBondContact OG1-CB 3.48Å; T18-E21 VanDerWaalsContact OG1-CD 3.26Å; T18-E21 WeakPolarHBondContact OG1-CG 3.32Å; T18-E21 PolarHBondContact OG1-N 3.32Å; T18-E21 PolarHBondContact OG1-OE2 3.35Å; T18-D22 PolarHBondContact O-N 2.79Å |
| 19 | S | 93 | Very high | 85.7 | Confident | 90 Ų | 90 | 77.6 Ų | 77.6 | 63% | 0.629 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -56.4 | -38.6 | 178.8 | -46.5 | 0 | 0 | 0 | 0 | 112 | E21 D22 D23 | S19-E21 VanDerWaalsContact C-N 3.32Å; S19-E21 PolarHBondContact O-N 2.92Å; S19-D22 WeakPolarHBondContact O-CB 3.21Å; S19-D22 PolarHBondContact O-N 3.16Å; S19-D22 VanDerWaalsContact O-N 3.15Å; S19-D23 PolarHBondContact O-N 3.08Å |
| 20 | K | 93.7 | Very high | 87.2 | Confident | 178 Ų | 178 | 77.4 Ų | 77.4 | 77% | 0.774 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61 | -37.6 | 175.3 | -173.6 | 175.7 | -178.4 | 174.4 | 0 | 113.1 | T18 A24 | T18-K20 PolarHBondContact O-N 3.11Å; K20-A24 WeakPolarHBondContact O-CB 3.39Å; K20-A24 PolarHBondContact O-N 2.83Å; K20-A24 VanDerWaalsContact O-N 3.15Å |
| 21 | E | 93.6 | Very high | 88.7 | Confident | 18 Ų | 18 | 72.6 Ų | 72.6 | 8% | 0.084 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -71.1 | -38.2 | 175.8 | -75.6 | 169.7 | 134.9 | 0 | 0 | 111.7 | W17 T18 S19 A24 L25 L46 R48 | W17-E21 HydrophobicContact CE3-CB 3.89Å; W17-E21 HydrophobicContact CZ3-CB 4.16Å; T18-E21 PolarHBondContact N-OE2 2.94Å; T18-E21 WeakPolarHBondContact O-CB 3.21Å; T18-E21 PolarHBondContact O-N 3.27Å; T18-E21 WeakPolarHBondContact OG1-CB 3.48Å; T18-E21 VanDerWaalsContact OG1-CD 3.26Å; T18-E21 WeakPolarHBondContact OG1-CG 3.32Å; T18-E21 PolarHBondContact OG1-N 3.32Å; T18-E21 PolarHBondContact OG1-OE2 3.35Å; S19-E21 VanDerWaalsContact C-N 3.32Å; S19-E21 PolarHBondContact O-N 2.92Å; E21-A24 PolarHBondContact O-N 3.39Å; E21-L25 WeakPolarHBondContact O-CB 3.03Å; E21-L25 PolarHBondContact O-N 3.18Å; E21-L46 HydrophobicContact CB-CD1 4.15Å; E21-L46 HydrophobicContact CB-CD2 4.16Å; E21-L46 HydrophobicContact CB-CG 4.37Å; E21-L46 HydrophobicContact CG-CD1 4.03Å; E21-L46 HydrophobicContact CG-CD2 4.48Å; E21-L46 HydrophobicContact CG-CG 4.2Å; E21-R48 IonicContact OE1-CZ 2.84Å; E21-R48 IonicContact OE1-NE 3.45Å; E21-R48 PolarHBondContact OE1-NE 2.81Å; E21-R48 IonicContact OE1-NH2 3.9Å; E21-R48 PolarHBondContact OE1-NH2 3.45Å; E21-R48 IonicContact OE2-CZ 3.97Å; E21-R48 IonicContact OE2-NE 3.17Å; E21-R48 IonicContact OE2-NH2 2.64Å; E21-R48 PolarHBondContact OE2-NH2 3.46Å |
| 22 | D | 94.1 | Very high | 89.8 | Confident | 16 Ų | 16 | 76.8 Ų | 76.8 | 9% | 0.086 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 175.8 | -75.7 | -25.8 | 0 | 0 | 0 | 111.5 | W17 T18 S19 L25 A26 R56 L61 | W17-D22 VanDerWaalsContact CE3-OD1 3.3Å; T18-D22 PolarHBondContact O-N 2.79Å; S19-D22 WeakPolarHBondContact O-CB 3.21Å; S19-D22 PolarHBondContact O-N 3.16Å; S19-D22 VanDerWaalsContact O-N 3.15Å; D22-L25 PolarHBondContact O-N 3.14Å; D22-A26 VanDerWaalsContact O-CB 3.32Å; D22-A26 WeakPolarHBondContact O-CB 3.15Å; D22-A26 PolarHBondContact O-N 3.24Å; D22-R56 WeakPolarHBondContact OD1-CG 3.3Å; D22-R56 IonicContact OD1-CZ 3.64Å; D22-R56 IonicContact OD1-NE 2.84Å; D22-R56 PolarHBondContact OD1-NE 3.48Å; D22-R56 IonicContact OD1-NH2 3.33Å; D22-R56 IonicContact OD2-CZ 3.23Å; D22-R56 IonicContact OD2-NE 2.69Å; D22-R56 PolarHBondContact OD2-NE 3.48Å; D22-R56 IonicContact OD2-NH2 2.79Å; D22-R56 PolarHBondContact OD2-NH2 2.88Å; D22-L61 HydrophobicContact CB-CD1 4.19Å; D22-L61 HydrophobicContact CB-CD2 3.73Å |
| 23 | D | 94.2 | Very high | 90.6 | Very high | 109 Ų | 109 | 76.5 Ų | 76.5 | 58% | 0.583 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.7 | -43.6 | 176.5 | -65.6 | -30.1 | 0 | 0 | 0 | 111.3 | S19 A26 A27 | S19-D23 PolarHBondContact O-N 3.08Å; D23-A26 PolarHBondContact O-N 3.45Å; D23-A27 VanDerWaalsContact O-CB 3.28Å; D23-A27 WeakPolarHBondContact O-CB 3.25Å; D23-A27 PolarHBondContact O-N 3.05Å |
| 24 | A | 93.4 | Very high | 91.2 | Very high | 34 Ų | 34 | 75.4 Ų | 75.4 | 28% | 0.281 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K20 E21 Y28 L46 | K20-A24 WeakPolarHBondContact O-CB 3.39Å; K20-A24 PolarHBondContact O-N 2.83Å; K20-A24 VanDerWaalsContact O-N 3.15Å; E21-A24 PolarHBondContact O-N 3.39Å; A24-Y28 WeakPolarHBondContact O-CB 3.48Å; A24-Y28 PolarHBondContact O-N 3.02Å; A24-L46 HydrophobicContact CB-CD1 3.86Å |
| 25 | L | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 175.5 | 179 | 59 | 0 | 0 | 0 | 111.1 | W17 E21 D22 Y28 V29 W37 V40 C53 R56 L61 | W17-L25 HydrophobicContact CH2-CD2 3.82Å; W17-L25 HydrophobicContact CZ3-CD2 3.89Å; E21-L25 WeakPolarHBondContact O-CB 3.03Å; E21-L25 PolarHBondContact O-N 3.18Å; D22-L25 PolarHBondContact O-N 3.14Å; L25-Y28 PolarHBondContact O-N 3.09Å; L25-V29 HydrophobicContact CD1-CG2 4.12Å; L25-V29 VanDerWaalsContact O-CG2 3.31Å; L25-V29 WeakPolarHBondContact O-CG2 3.08Å; L25-V29 PolarHBondContact O-N 2.82Å; L25-W37 HydrophobicContact CD1-CZ3 4.48Å; L25-V40 HydrophobicContact CD1-CG1 3.5Å; L25-V40 VanDerWaalsContact CD1-CG1 3.5Å; L25-C53 HydrophobicContact CD1-CB 3.87Å; L25-C53 HydrophobicContact CD2-CB 4.22Å; L25-R56 HydrophobicContact CD2-CB 4.08Å; L25-R56 HydrophobicContact CD2-CG 4.2Å; L25-L61 HydrophobicContact CB-CD1 4.18Å; L25-L61 HydrophobicContact CD2-CD1 3.68Å; L25-L61 HydrophobicContact CG-CD1 4.01Å |
| 26 | A | 93.5 | Very high | 91.8 | Very high | 31 Ų | 31 | 70.9 Ų | 70.9 | 26% | 0.256 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D22 D23 Y28 V29 K30 W57 | D22-A26 VanDerWaalsContact O-CB 3.32Å; D22-A26 WeakPolarHBondContact O-CB 3.15Å; D22-A26 PolarHBondContact O-N 3.24Å; D23-A26 PolarHBondContact O-N 3.45Å; A26-Y28 VanDerWaalsContact C-N 3.34Å; A26-Y28 PolarHBondContact O-N 2.78Å; A26-V29 PolarHBondContact O-N 3.29Å; A26-K30 VanDerWaalsContact O-CB 3.25Å; A26-K30 WeakPolarHBondContact O-CB 3.41Å; A26-K30 PolarHBondContact O-N 3.24Å; A26-W57 HydrophobicContact CB-CZ3 3.9Å |
| 27 | A | 93 | Very high | 91.8 | Very high | 62 Ų | 62 | 68.4 Ų | 68.4 | 51% | 0.512 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61 | -44 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D23 K30 A31 | D23-A27 VanDerWaalsContact O-CB 3.28Å; D23-A27 WeakPolarHBondContact O-CB 3.25Å; D23-A27 PolarHBondContact O-N 3.05Å; A27-K30 PolarHBondContact O-N 3.35Å; A27-A31 WeakPolarHBondContact O-CB 3.1Å; A27-A31 PolarHBondContact O-N 3.44Å |
| 28 | Y | 93.5 | Very high | 91.5 | Very high | 19 Ų | 19 | 73 Ų | 73 | 8% | 0.075 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 178.2 | 179.8 | -86.5 | 0 | 0 | 0 | 112.2 | A24 L25 A26 K30 A31 H32 V40 K43 A44 | A24-Y28 WeakPolarHBondContact O-CB 3.48Å; A24-Y28 PolarHBondContact O-N 3.02Å; L25-Y28 PolarHBondContact O-N 3.09Å; A26-Y28 VanDerWaalsContact C-N 3.34Å; A26-Y28 PolarHBondContact O-N 2.78Å; Y28-K30 VanDerWaalsContact C-N 3.35Å; Y28-A31 PolarHBondContact O-N 3.44Å; Y28-H32 AromaticContact CD2-CE1 3.69Å; Y28-H32 AromaticContact CD2-ND1 3.53Å; Y28-H32 HydrophobicContact CE1-CB 4.09Å; Y28-H32 AromaticContact CE2-CE1 3.38Å; Y28-H32 WeakPolarHBondContact CE2-CE1 3.33Å; Y28-H32 AromaticContact CE2-CG 3.84Å; Y28-H32 AromaticContact CE2-ND1 3.34Å; Y28-H32 VanDerWaalsContact CE2-ND1 3.34Å; Y28-H32 WeakPolarHBondContact CE2-ND1 3.22Å; Y28-H32 AromaticContact CE2-NE2 3.86Å; Y28-H32 AromaticContact CZ-CG 3.72Å; Y28-H32 AromaticContact CZ-ND1 3.67Å; Y28-H32 PolarHBondContact O-N 2.9Å; Y28-H32 PolarHBondContact O-ND1 2.95Å; Y28-H32 VanDerWaalsContact O-ND1 3.08Å; Y28-V40 HydrophobicContact CD1-CB 4.4Å; Y28-V40 HydrophobicContact CD1-CG1 3.82Å; Y28-V40 HydrophobicContact CD1-CG2 4.17Å; Y28-V40 HydrophobicContact CE1-CB 4.16Å; Y28-V40 HydrophobicContact CE1-CG1 4.09Å; Y28-V40 HydrophobicContact CE1-CG2 3.68Å; Y28-K43 HydrophobicContact CD2-CB 4.18Å; Y28-K43 HydrophobicContact CE2-CB 3.33Å; Y28-K43 HydrophobicContact CE2-CD 4.14Å; Y28-K43 HydrophobicContact CE2-CG 4.37Å; Y28-K43 WeakPolarHBondContact OH-CD 3.38Å; Y28-A44 HydrophobicContact CD2-CB 4.16Å; Y28-A44 HydrophobicContact CG-CB 4.05Å |
| 29 | V | 92.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 73.2 Ų | 73.2 | 3% | 0.03 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.9 | -36.5 | -179.3 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | L25 A26 A31 G33 E34 W37 W57 | L25-V29 HydrophobicContact CD1-CG2 4.12Å; L25-V29 VanDerWaalsContact O-CG2 3.31Å; L25-V29 WeakPolarHBondContact O-CG2 3.08Å; L25-V29 PolarHBondContact O-N 2.82Å; A26-V29 PolarHBondContact O-N 3.29Å; V29-A31 VanDerWaalsContact C-N 3.29Å; V29-A31 PolarHBondContact O-N 3.06Å; V29-G33 CarbonylContact O-C 3.49Å; V29-G33 VanDerWaalsContact O-CA 3.23Å; V29-G33 WeakPolarHBondContact O-CA 3.44Å; V29-G33 PolarHBondContact O-N 3.48Å; V29-E34 HydrophobicContact CG1-CG 3.94Å; V29-W37 HydrophobicContact CG2-CH2 3.98Å; V29-W37 HydrophobicContact CG2-CZ3 3.97Å; V29-W57 HydrophobicContact CB-CD2 4.19Å; V29-W57 HydrophobicContact CB-CE3 4.07Å; V29-W57 HydrophobicContact CB-CH2 3.89Å; V29-W57 HydrophobicContact CB-CZ2 3.99Å; V29-W57 HydrophobicContact CB-CZ3 3.96Å; V29-W57 HydrophobicContact CG1-CD2 3.92Å; V29-W57 VanDerWaalsContact CG1-CE2 3.44Å; V29-W57 HydrophobicContact CG1-CE3 4.25Å; V29-W57 HydrophobicContact CG1-CH2 3.74Å; V29-W57 HydrophobicContact CG1-CZ2 3.32Å; V29-W57 HydrophobicContact CG1-CZ3 4.21Å; V29-W57 HydrophobicContact CG2-CD2 4.1Å; V29-W57 HydrophobicContact CG2-CE3 4.05Å; V29-W57 HydrophobicContact CG2-CZ3 4.42Å |
| 30 | K | 91.6 | Very high | 91 | Very high | 189 Ų | 189 | 69 Ų | 69 | 82% | 0.822 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.7 | -35.5 | 173.7 | -172.1 | 177 | 179.9 | -179 | 0 | 112.3 | A26 A27 Y28 | A26-K30 VanDerWaalsContact O-CB 3.25Å; A26-K30 WeakPolarHBondContact O-CB 3.41Å; A26-K30 PolarHBondContact O-N 3.24Å; A27-K30 PolarHBondContact O-N 3.35Å; Y28-K30 VanDerWaalsContact C-N 3.35Å |
| 31 | A | 92.8 | Very high | 90.8 | Very high | 79 Ų | 79 | 60.9 Ų | 60.9 | 65% | 0.653 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -80.7 | -36.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A27 Y28 V29 | A27-A31 WeakPolarHBondContact O-CB 3.1Å; A27-A31 PolarHBondContact O-N 3.44Å; Y28-A31 PolarHBondContact O-N 3.44Å; V29-A31 VanDerWaalsContact C-N 3.29Å; V29-A31 PolarHBondContact O-N 3.06Å |
| 32 | H | 90.9 | Very high | 90.5 | Very high | 125 Ų | 125 | 67.8 Ų | 67.8 | 58% | 0.579 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -107.9 | -9 | -172.7 | -62.7 | 81.4 | 0 | 0 | 0 | 114.6 | Y28 | Y28-H32 AromaticContact CD2-CE1 3.69Å; Y28-H32 AromaticContact CD2-ND1 3.53Å; Y28-H32 HydrophobicContact CE1-CB 4.09Å; Y28-H32 AromaticContact CE2-CE1 3.38Å; Y28-H32 WeakPolarHBondContact CE2-CE1 3.33Å; Y28-H32 AromaticContact CE2-CG 3.84Å; Y28-H32 AromaticContact CE2-ND1 3.34Å; Y28-H32 VanDerWaalsContact CE2-ND1 3.34Å; Y28-H32 WeakPolarHBondContact CE2-ND1 3.22Å; Y28-H32 AromaticContact CE2-NE2 3.86Å; Y28-H32 AromaticContact CZ-CG 3.72Å; Y28-H32 AromaticContact CZ-ND1 3.67Å; Y28-H32 PolarHBondContact O-N 2.9Å; Y28-H32 PolarHBondContact O-ND1 2.95Å; Y28-H32 VanDerWaalsContact O-ND1 3.08Å |
| 33 | G | 90.3 | Very high | 90.2 | Very high | 38 Ų | 38 | 72.6 Ų | 72.6 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | trans | 82.9 | 171.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V29 G35 | V29-G33 CarbonylContact O-C 3.49Å; V29-G33 VanDerWaalsContact O-CA 3.23Å; V29-G33 WeakPolarHBondContact O-CA 3.44Å; V29-G33 PolarHBondContact O-N 3.48Å; G33-G35 PolarHBondContact O-N 2.89Å | ||
| 34 | E | 87.8 | Confident | 90 | Very high | 97 Ų | 97 | 68.5 Ų | 68.5 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -76.2 | 114.2 | 176.1 | -59.7 | -174 | 162.3 | 0 | 0 | 109.9 | V29 W37 W57 R62 | V29-E34 HydrophobicContact CG1-CG 3.94Å; E34-W37 HydrophobicContact CB-CZ2 4.46Å; E34-W57 PolarHBondContact OE1-NE1 3.4Å; E34-R62 IonicContact OE1-CZ 2.73Å; E34-R62 IonicContact OE1-NE 3.62Å; E34-R62 PolarHBondContact OE1-NE 3.34Å; E34-R62 VanDerWaalsContact OE1-NE 3.17Å; E34-R62 IonicContact OE1-NH2 3.45Å; E34-R62 IonicContact OE2-NE 3.65Å; E34-R62 IonicContact OE2-NH2 3.23Å |
| 35 | G | 86.2 | Confident | 89.7 | Confident | 27 Ų | 27 | 70 Ų | 70 | 28% | 0.278 | 38% | 0.381 | S | S | . | . | trans | 159.3 | 177.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G33 W37 | G33-G35 PolarHBondContact O-N 2.89Å; G35-W37 PolarHBondContact O-N 3.32Å; G35-W37 VanDerWaalsContact O-N 3.08Å | ||
| 36 | K | 87.5 | Confident | 89.4 | Confident | 160 Ų | 160 | 71 Ų | 71 | 70% | 0.696 | 39% | 0.386 | S | S | * | . | trans | 49.4 | 40.3 | 175.4 | -59.4 | 175.2 | -176.3 | 173.3 | 0 | 113.4 | R38 E39 V40 | K36-R38 PolarHBondContact O-N 3.36Å; K36-E39 PolarHBondContact O-N 2.91Å; K36-V40 PolarHBondContact O-N 3.17Å | ||
| 37 | W | 89.1 | Confident | 89.1 | Confident | 39 Ų | 39 | 76.7 Ų | 76.7 | 15% | 0.148 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -24.7 | -173.8 | -63 | 106.1 | 0 | 0 | 0 | 115.1 | L25 V29 E34 G35 E39 V40 P41 G50 C53 R54 W57 | L25-W37 HydrophobicContact CD1-CZ3 4.48Å; V29-W37 HydrophobicContact CG2-CH2 3.98Å; V29-W37 HydrophobicContact CG2-CZ3 3.97Å; E34-W37 HydrophobicContact CB-CZ2 4.46Å; G35-W37 PolarHBondContact O-N 3.32Å; G35-W37 VanDerWaalsContact O-N 3.08Å; W37-E39 VanDerWaalsContact C-N 3.33Å; W37-V40 HydrophobicContact CE3-CG2 3.9Å; W37-V40 HydrophobicContact CZ3-CG2 4.44Å; W37-P41 WeakPolarHBondContact O-CD 3.2Å; W37-G50 WeakPolarHBondContact O-CA 3.4Å; W37-C53 HydrophobicContact CE3-CB 4.34Å; W37-R54 HydrophobicContact CB-CB 4.13Å; W37-R54 HydrophobicContact CD2-CB 3.55Å; W37-R54 HydrophobicContact CD2-CG 3.86Å; W37-R54 HydrophobicContact CE3-CB 3.89Å; W37-R54 HydrophobicContact CG-CB 3.65Å; W37-R54 HydrophobicContact CG-CG 3.92Å; W37-R54 HydrophobicContact CZ2-CG 4.4Å; W37-W57 HydrophobicContact CH2-CB 3.57Å; W37-W57 AromaticContact CH2-CD1 3.48Å; W37-W57 VanDerWaalsContact CH2-CD1 3.48Å; W37-W57 HydrophobicContact CH2-CD2 4.35Å; W37-W57 AromaticContact CH2-CG 3.49Å; W37-W57 HydrophobicContact CH2-CG 3.49Å; W37-W57 VanDerWaalsContact CH2-CG 3.49Å; W37-W57 HydrophobicContact CZ2-CB 4.49Å; W37-W57 AromaticContact CZ2-CD1 3.91Å; W37-W57 HydrophobicContact CZ2-CG 4.33Å; W37-W57 HydrophobicContact CZ3-CB 3.93Å; W37-W57 HydrophobicContact CZ3-CG 4.25Å |
| 38 | R | 84.6 | Confident | 88.8 | Confident | 141 Ų | 141 | 74.5 Ų | 74.5 | 53% | 0.532 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -35.8 | 175.9 | -67.3 | 176.1 | 175.3 | -98.7 | -1.1 | 112.9 | R4 C6 K36 | R4-R38 PolarHBondContact O-NH1 3.22Å; R4-R38 VanDerWaalsContact O-NH1 3.12Å; C6-R38 PolarHBondContact SG-NH1 2.8Å; C6-R38 PolarHBondContact SG-NH2 2.72Å; K36-R38 PolarHBondContact O-N 3.36Å |
| 39 | E | 85.4 | Confident | 88.5 | Confident | 80 Ų | 80 | 75 Ų | 75 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -20.3 | -177 | -64.2 | 170.8 | -151.7 | 0 | 0 | 112.7 | K36 W37 P41 Q42 K43 | K36-E39 PolarHBondContact O-N 2.91Å; W37-E39 VanDerWaalsContact C-N 3.33Å; E39-P41 VanDerWaalsContact C-CD 3.44Å; E39-Q42 PolarHBondContact O-N 3.05Å; E39-Q42 VanDerWaalsContact O-N 3.1Å; E39-K43 HydrophobicContact CB-CD 4.21Å; E39-K43 PolarHBondContact O-N 2.92Å; E39-K43 WeakPolarHBondContact OE2-CE 3.29Å; E39-K43 IonicContact OE2-NZ 3.46Å; E39-K43 PolarHBondContact OE2-NZ 3.34Å |
| 40 | V | 90.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.006 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -49.3 | -48.9 | -178 | 174.7 | 0 | 0 | 0 | 0 | 112.8 | L25 Y28 K36 W37 Q42 K43 A44 C53 | L25-V40 HydrophobicContact CD1-CG1 3.5Å; L25-V40 VanDerWaalsContact CD1-CG1 3.5Å; Y28-V40 HydrophobicContact CD1-CB 4.4Å; Y28-V40 HydrophobicContact CD1-CG1 3.82Å; Y28-V40 HydrophobicContact CD1-CG2 4.17Å; Y28-V40 HydrophobicContact CE1-CB 4.16Å; Y28-V40 HydrophobicContact CE1-CG1 4.09Å; Y28-V40 HydrophobicContact CE1-CG2 3.68Å; K36-V40 PolarHBondContact O-N 3.17Å; W37-V40 HydrophobicContact CE3-CG2 3.9Å; W37-V40 HydrophobicContact CZ3-CG2 4.44Å; V40-Q42 VanDerWaalsContact C-N 3.34Å; V40-Q42 PolarHBondContact O-N 3.46Å; V40-K43 PolarHBondContact O-N 3.06Å; V40-A44 WeakPolarHBondContact O-CB 3.26Å; V40-A44 PolarHBondContact O-N 3.33Å; V40-C53 HydrophobicContact CG1-CB 4.12Å |
| 41 | P | 88.4 | Confident | 88 | Confident | 9 Ų | 9 | 74 Ų | 74 | 6% | 0.058 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.4 | -37.7 | -177.9 | -13.2 | 25.4 | 0 | 0 | 0 | 112.9 | W37 E39 G45 L46 R48 | W37-P41 WeakPolarHBondContact O-CD 3.2Å; E39-P41 VanDerWaalsContact C-CD 3.44Å; P41-G45 PolarHBondContact O-N 2.92Å; P41-L46 CarbonylContact C-O 3.57Å; P41-L46 HydrophobicContact CB-CB 4.48Å; P41-L46 WeakPolarHBondContact CB-O 3.38Å; P41-L46 PolarHBondContact O-N 2.89Å; P41-L46 VanDerWaalsContact O-O 3.1Å; P41-R48 WeakPolarHBondContact CB-O 3.41Å; P41-R48 VanDerWaalsContact CG-O 3.28Å; P41-R48 WeakPolarHBondContact CG-O 3.3Å |
| 42 | Q | 87.3 | Confident | 87.9 | Confident | 162 Ų | 162 | 71.8 Ų | 71.8 | 76% | 0.757 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -67.4 | -45.3 | 179.5 | -69.2 | 179.1 | -29.6 | 0 | 0 | 110.9 | E39 V40 G45 | E39-Q42 PolarHBondContact O-N 3.05Å; E39-Q42 VanDerWaalsContact O-N 3.1Å; V40-Q42 VanDerWaalsContact C-N 3.34Å; V40-Q42 PolarHBondContact O-N 3.46Å; Q42-G45 PolarHBondContact O-N 3.47Å |
| 43 | K | 88.5 | Confident | 87.9 | Confident | 117 Ų | 117 | 65.8 Ų | 65.8 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -75.9 | -32.8 | -177.9 | -67.2 | 177.3 | 167 | 171.5 | 0 | 113.5 | Y28 E39 V40 G45 | Y28-K43 HydrophobicContact CD2-CB 4.18Å; Y28-K43 HydrophobicContact CE2-CB 3.33Å; Y28-K43 HydrophobicContact CE2-CD 4.14Å; Y28-K43 HydrophobicContact CE2-CG 4.37Å; Y28-K43 WeakPolarHBondContact OH-CD 3.38Å; E39-K43 HydrophobicContact CB-CD 4.21Å; E39-K43 PolarHBondContact O-N 2.92Å; E39-K43 WeakPolarHBondContact OE2-CE 3.29Å; E39-K43 IonicContact OE2-NZ 3.46Å; E39-K43 PolarHBondContact OE2-NZ 3.34Å; V40-K43 PolarHBondContact O-N 3.06Å; K43-G45 PolarHBondContact O-N 3.38Å |
| 44 | A | 89.4 | Confident | 88 | Confident | 23 Ų | 23 | 70.7 Ų | 70.7 | 19% | 0.19 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -2.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y28 V40 L46 | Y28-A44 HydrophobicContact CD2-CB 4.16Å; Y28-A44 HydrophobicContact CG-CB 4.05Å; V40-A44 WeakPolarHBondContact O-CB 3.26Å; V40-A44 PolarHBondContact O-N 3.33Å; A44-L46 PolarHBondContact O-N 2.65Å |
| 45 | G | 87.3 | Confident | 88.1 | Confident | 67 Ų | 67 | 71.3 Ų | 71.3 | 69% | 0.691 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 23.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P41 Q42 K43 | P41-G45 PolarHBondContact O-N 2.92Å; Q42-G45 PolarHBondContact O-N 3.47Å; K43-G45 PolarHBondContact O-N 3.38Å |
| 46 | L | 87.7 | Confident | 88.4 | Confident | 20 Ų | 20 | 72.4 Ų | 72.4 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | trans | -95.1 | 128.9 | -177.3 | -122 | 67.8 | 0 | 0 | 0 | 111.5 | W17 E21 A24 P41 A44 R48 | W17-L46 HydrophobicContact CH2-CD2 3.87Å; W17-L46 HydrophobicContact CZ3-CD2 3.5Å; W17-L46 VanDerWaalsContact CZ3-CD2 3.5Å; E21-L46 HydrophobicContact CB-CD1 4.15Å; E21-L46 HydrophobicContact CB-CD2 4.16Å; E21-L46 HydrophobicContact CB-CG 4.37Å; E21-L46 HydrophobicContact CG-CD1 4.03Å; E21-L46 HydrophobicContact CG-CD2 4.48Å; E21-L46 HydrophobicContact CG-CG 4.2Å; A24-L46 HydrophobicContact CB-CD1 3.86Å; P41-L46 CarbonylContact C-O 3.57Å; P41-L46 HydrophobicContact CB-CB 4.48Å; P41-L46 WeakPolarHBondContact CB-O 3.38Å; P41-L46 PolarHBondContact O-N 2.89Å; P41-L46 VanDerWaalsContact O-O 3.1Å; A44-L46 PolarHBondContact O-N 2.65Å; L46-R48 HydrophobicContact CD2-CB 4.37Å; L46-R48 HydrophobicContact CD2-CG 3.97Å; L46-R48 HydrophobicContact CG-CG 4.17Å; L46-R48 PolarHBondContact O-N 2.85Å | ||
| 47 | R | 86.3 | Confident | 88.6 | Confident | 150 Ų | 150 | 65.6 Ų | 65.6 | 57% | 0.566 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -80.6 | 46.2 | 173.3 | -61.2 | -175.7 | 65.5 | -179.9 | 6.1 | 111.9 | G11 V12 K13 | G11-R47 VanDerWaalsContact CA-NH2 3.29Å; G11-R47 VanDerWaalsContact O-CZ 3.3Å; G11-R47 PolarHBondContact O-NE 3.42Å; G11-R47 PolarHBondContact O-NH2 3.47Å; V12-R47 CarbonylContact C-O 3.57Å; V12-R47 WeakPolarHBondContact CA-O 3.5Å; K13-R47 HydrophobicContact CG-CB 4.39Å; K13-R47 PolarHBondContact N-O 3.21Å |
| 48 | R | 87.2 | Confident | 88.6 | Confident | 16 Ų | 16 | 66.7 Ų | 66.7 | 6% | 0.06 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -121 | 166.7 | -179.2 | -61.9 | -61.1 | -172.9 | 129.3 | -3.6 | 110.2 | K13 G15 A16 W17 E21 P41 L46 | K13-R48 VanDerWaalsContact O-CD 3.31Å; K13-R48 WeakPolarHBondContact O-CD 3.41Å; G15-R48 PolarHBondContact O-NH1 3.29Å; A16-R48 PolarHBondContact O-NH2 2.89Å; W17-R48 HydrophobicContact CH2-CB 4.31Å; W17-R48 HydrophobicContact CH2-CG 4.03Å; W17-R48 HydrophobicContact CZ2-CG 4.32Å; W17-R48 HydrophobicContact CZ3-CG 4.38Å; E21-R48 IonicContact OE1-CZ 2.84Å; E21-R48 IonicContact OE1-NE 3.45Å; E21-R48 PolarHBondContact OE1-NE 2.81Å; E21-R48 IonicContact OE1-NH2 3.9Å; E21-R48 PolarHBondContact OE1-NH2 3.45Å; E21-R48 IonicContact OE2-CZ 3.97Å; E21-R48 IonicContact OE2-NE 3.17Å; E21-R48 IonicContact OE2-NH2 2.64Å; E21-R48 PolarHBondContact OE2-NH2 3.46Å; P41-R48 WeakPolarHBondContact CB-O 3.41Å; P41-R48 VanDerWaalsContact CG-O 3.28Å; P41-R48 WeakPolarHBondContact CG-O 3.3Å; L46-R48 HydrophobicContact CD2-CB 4.37Å; L46-R48 HydrophobicContact CD2-CG 3.97Å; L46-R48 HydrophobicContact CG-CG 4.17Å; L46-R48 PolarHBondContact O-N 2.85Å |
| 49 | C | 87.3 | Confident | 88.8 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | trans | -90.4 | 153.7 | 172.1 | 68.3 | 0 | 0 | 0 | 0 | 111.9 | C7 K51 S52 C53 | C7-C49 HydrophobicContact CB-CB 4.39Å; C7-C49 WeakPolarHBondContact SG-CB 3.47Å; C49-K51 PolarHBondContact O-N 3.01Å; C49-S52 WeakPolarHBondContact O-CA 3.36Å; C49-S52 WeakPolarHBondContact O-CB 3.44Å; C49-S52 PolarHBondContact O-N 2.95Å; C49-S52 WeakPolarHBondContact SG-CB 3.22Å; C49-S52 PolarHBondContact SG-N 3.18Å; C49-S52 VanDerWaalsContact SG-N 3.35Å; C49-C53 PolarHBondContact O-N 3.25Å; C49-C53 PolarHBondContact O-SG 3.39Å | ||
| 50 | G | 87.8 | Confident | 89 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.6 | -34.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | W37 C53 R54 | W37-G50 WeakPolarHBondContact O-CA 3.4Å; G50-C53 PolarHBondContact O-N 2.8Å; G50-R54 PolarHBondContact O-N 3.23Å |
| 51 | K | 86.3 | Confident | 89 | Confident | 169 Ų | 169 | 64.6 Ų | 64.6 | 74% | 0.735 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.2 | -42.1 | 174.1 | -174 | 175.7 | -178.8 | 177.1 | 0 | 111.8 | C49 R54 L55 | C49-K51 PolarHBondContact O-N 3.01Å; K51-R54 PolarHBondContact O-N 3.06Å; K51-L55 WeakPolarHBondContact O-CB 3.31Å; K51-L55 PolarHBondContact O-N 3.2Å |
| 52 | S | 90 | Very high | 88.9 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 22% | 0.217 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 176.8 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | W17 C49 L55 R56 | W17-S52 WeakPolarHBondContact CZ2-O 2.95Å; W17-S52 VanDerWaalsContact CZ2-OG 3.25Å; W17-S52 WeakPolarHBondContact CZ2-OG 3.33Å; C49-S52 WeakPolarHBondContact O-CA 3.36Å; C49-S52 WeakPolarHBondContact O-CB 3.44Å; C49-S52 PolarHBondContact O-N 2.95Å; C49-S52 WeakPolarHBondContact SG-CB 3.22Å; C49-S52 PolarHBondContact SG-N 3.18Å; C49-S52 VanDerWaalsContact SG-N 3.35Å; S52-L55 PolarHBondContact O-N 2.64Å; S52-R56 WeakPolarHBondContact O-CB 3.16Å; S52-R56 PolarHBondContact O-N 3.35Å |
| 53 | C | 91 | Very high | 88.7 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 177.6 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | W17 L25 W37 V40 C49 G50 L55 R56 W57 | W17-C53 HydrophobicContact CH2-CB 4.45Å; L25-C53 HydrophobicContact CD1-CB 3.87Å; L25-C53 HydrophobicContact CD2-CB 4.22Å; W37-C53 HydrophobicContact CE3-CB 4.34Å; V40-C53 HydrophobicContact CG1-CB 4.12Å; C49-C53 PolarHBondContact O-N 3.25Å; C49-C53 PolarHBondContact O-SG 3.39Å; G50-C53 PolarHBondContact O-N 2.8Å; C53-L55 PolarHBondContact O-N 2.82Å; C53-R56 PolarHBondContact O-N 3.28Å; C53-W57 WeakPolarHBondContact O-CB 3.3Å; C53-W57 PolarHBondContact O-N 2.87Å |
| 54 | R | 91.9 | Very high | 88.4 | Confident | 140 Ų | 140 | 65.8 Ų | 65.8 | 53% | 0.528 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.2 | -48.1 | 176.2 | -176.5 | 177.9 | 178.7 | -175.4 | -0.5 | 111.8 | W37 G50 K51 R56 W57 L58 | W37-R54 HydrophobicContact CB-CB 4.13Å; W37-R54 HydrophobicContact CD2-CB 3.55Å; W37-R54 HydrophobicContact CD2-CG 3.86Å; W37-R54 HydrophobicContact CE3-CB 3.89Å; W37-R54 HydrophobicContact CG-CB 3.65Å; W37-R54 HydrophobicContact CG-CG 3.92Å; W37-R54 HydrophobicContact CZ2-CG 4.4Å; G50-R54 PolarHBondContact O-N 3.23Å; K51-R54 PolarHBondContact O-N 3.06Å; R54-R56 PolarHBondContact O-N 3.31Å; R54-W57 PolarHBondContact O-N 3Å; R54-L58 HydrophobicContact CG-CD1 3.81Å; R54-L58 HydrophobicContact CG-CG 4.44Å; R54-L58 WeakPolarHBondContact O-CG 3.17Å; R54-L58 PolarHBondContact O-N 3.41Å |
| 55 | L | 90.7 | Very high | 88.1 | Confident | 110 Ų | 110 | 65.7 Ų | 65.7 | 58% | 0.576 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.1 | -43.5 | -178.5 | -174 | 71 | 0 | 0 | 0 | 111.4 | K51 S52 C53 N59 | K51-L55 WeakPolarHBondContact O-CB 3.31Å; K51-L55 PolarHBondContact O-N 3.2Å; S52-L55 PolarHBondContact O-N 2.64Å; C53-L55 PolarHBondContact O-N 2.82Å; L55-N59 VanDerWaalsContact CD1-ND2 3.3Å; L55-N59 WeakPolarHBondContact CD1-ND2 3.47Å; L55-N59 WeakPolarHBondContact O-CB 3.49Å; L55-N59 PolarHBondContact O-N 3.43Å; L55-N59 VanDerWaalsContact O-N 3.17Å; L55-N59 PolarHBondContact O-ND2 3.4Å |
| 56 | R | 92.5 | Very high | 87.7 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 19% | 0.189 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 178.8 | -173.8 | 62 | 171.7 | 174 | -2.8 | 111.6 | W17 D22 L25 S52 C53 R54 Y60 L61 | W17-R56 HydrophobicContact CD2-CB 4.18Å; W17-R56 HydrophobicContact CD2-CG 3.68Å; W17-R56 HydrophobicContact CE3-CG 3.94Å; W17-R56 HydrophobicContact CG-CG 4.06Å; W17-R56 HydrophobicContact CH2-CB 4.09Å; W17-R56 HydrophobicContact CH2-CG 4.29Å; W17-R56 HydrophobicContact CZ2-CB 3.61Å; W17-R56 HydrophobicContact CZ2-CG 4.03Å; W17-R56 HydrophobicContact CZ3-CG 4.22Å; D22-R56 WeakPolarHBondContact OD1-CG 3.3Å; D22-R56 IonicContact OD1-CZ 3.64Å; D22-R56 IonicContact OD1-NE 2.84Å; D22-R56 PolarHBondContact OD1-NE 3.48Å; D22-R56 IonicContact OD1-NH2 3.33Å; D22-R56 IonicContact OD2-CZ 3.23Å; D22-R56 IonicContact OD2-NE 2.69Å; D22-R56 PolarHBondContact OD2-NE 3.48Å; D22-R56 IonicContact OD2-NH2 2.79Å; D22-R56 PolarHBondContact OD2-NH2 2.88Å; L25-R56 HydrophobicContact CD2-CB 4.08Å; L25-R56 HydrophobicContact CD2-CG 4.2Å; S52-R56 WeakPolarHBondContact O-CB 3.16Å; S52-R56 PolarHBondContact O-N 3.35Å; C53-R56 PolarHBondContact O-N 3.28Å; R54-R56 PolarHBondContact O-N 3.31Å; R56-Y60 VanDerWaalsContact NH1-CG 3.32Å; R56-Y60 WeakPolarHBondContact O-CB 2.95Å; R56-Y60 PolarHBondContact O-N 3.32Å; R56-L61 HydrophobicContact CG-CD1 3.95Å; R56-L61 HydrophobicContact CG-CG 4.26Å; R56-L61 PolarHBondContact O-N 3.03Å |
| 57 | W | 92.2 | Very high | 87.2 | Confident | 18 Ų | 18 | 79.7 Ų | 79.7 | 7% | 0.068 | 36% | 0.357 | C | S | . | . | I | π-helix | trans | -59.7 | -54.7 | 177.2 | -177.6 | -102.3 | 0 | 0 | 0 | 112 | A26 V29 E34 W37 C53 R54 N59 L61 R62 | A26-W57 HydrophobicContact CB-CZ3 3.9Å; V29-W57 HydrophobicContact CB-CD2 4.19Å; V29-W57 HydrophobicContact CB-CE3 4.07Å; V29-W57 HydrophobicContact CB-CH2 3.89Å; V29-W57 HydrophobicContact CB-CZ2 3.99Å; V29-W57 HydrophobicContact CB-CZ3 3.96Å; V29-W57 HydrophobicContact CG1-CD2 3.92Å; V29-W57 VanDerWaalsContact CG1-CE2 3.44Å; V29-W57 HydrophobicContact CG1-CE3 4.25Å; V29-W57 HydrophobicContact CG1-CH2 3.74Å; V29-W57 HydrophobicContact CG1-CZ2 3.32Å; V29-W57 HydrophobicContact CG1-CZ3 4.21Å; V29-W57 HydrophobicContact CG2-CD2 4.1Å; V29-W57 HydrophobicContact CG2-CE3 4.05Å; V29-W57 HydrophobicContact CG2-CZ3 4.42Å; E34-W57 PolarHBondContact OE1-NE1 3.4Å; W37-W57 HydrophobicContact CH2-CB 3.57Å; W37-W57 AromaticContact CH2-CD1 3.48Å; W37-W57 VanDerWaalsContact CH2-CD1 3.48Å; W37-W57 HydrophobicContact CH2-CD2 4.35Å; W37-W57 AromaticContact CH2-CG 3.49Å; W37-W57 HydrophobicContact CH2-CG 3.49Å; W37-W57 VanDerWaalsContact CH2-CG 3.49Å; W37-W57 HydrophobicContact CZ2-CB 4.49Å; W37-W57 AromaticContact CZ2-CD1 3.91Å; W37-W57 HydrophobicContact CZ2-CG 4.33Å; W37-W57 HydrophobicContact CZ3-CB 3.93Å; W37-W57 HydrophobicContact CZ3-CG 4.25Å; C53-W57 WeakPolarHBondContact O-CB 3.3Å; C53-W57 PolarHBondContact O-N 2.87Å; R54-W57 PolarHBondContact O-N 3Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 3.45Å; W57-L61 HydrophobicContact CD2-CB 4.4Å; W57-L61 HydrophobicContact CE3-CB 3.56Å; W57-L61 HydrophobicContact CE3-CD1 4.18Å; W57-L61 HydrophobicContact CZ3-CB 3.84Å; W57-L61 PolarHBondContact O-N 3.44Å; W57-R62 WeakPolarHBondContact O-CB 3.35Å; W57-R62 PolarHBondContact O-N 3.25Å |
| 58 | L | 88.9 | Confident | 86.7 | Confident | 61 Ų | 61 | 74.8 Ų | 74.8 | 32% | 0.319 | 35% | 0.352 | S | S | . | . | I | π-helix | trans | -66.9 | -27.2 | -174 | -69 | 174.6 | 0 | 0 | 0 | 114.3 | R54 I65 | R54-L58 HydrophobicContact CG-CD1 3.81Å; R54-L58 HydrophobicContact CG-CG 4.44Å; R54-L58 WeakPolarHBondContact O-CG 3.17Å; R54-L58 PolarHBondContact O-N 3.41Å; L58-I65 VanDerWaalsContact O-CD1 3.29Å; L58-I65 WeakPolarHBondContact O-CD1 3.09Å |
| 59 | N | 89.3 | Confident | 86.1 | Confident | 15 Ų | 15 | 81.4 Ų | 81.4 | 8% | 0.08 | 39% | 0.389 | C | S | . | . | I | π-helix | trans | -102.1 | -23 | -175.5 | -73.4 | -88.2 | 0 | 0 | 0 | 114.7 | L55 W57 N103 | L55-N59 VanDerWaalsContact CD1-ND2 3.3Å; L55-N59 WeakPolarHBondContact CD1-ND2 3.47Å; L55-N59 WeakPolarHBondContact O-CB 3.49Å; L55-N59 PolarHBondContact O-N 3.43Å; L55-N59 VanDerWaalsContact O-N 3.17Å; L55-N59 PolarHBondContact O-ND2 3.4Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 3.45Å; N59-N103 WeakPolarHBondContact OD1-CB 3.44Å |
| 60 | Y | 89.6 | Confident | 85.6 | Confident | 120 Ų | 120 | 81.4 Ų | 81.4 | 47% | 0.471 | 39% | 0.386 | S | S | . | . | I | π-helix | trans | -133.1 | -38.1 | -170.6 | -62.6 | -83.7 | 0 | 0 | 0 | 114.9 | R56 | R56-Y60 VanDerWaalsContact NH1-CG 3.32Å; R56-Y60 WeakPolarHBondContact O-CB 2.95Å; R56-Y60 PolarHBondContact O-N 3.32Å |
| 61 | L | 89.2 | Confident | 85.1 | Confident | 44 Ų | 44 | 83.7 Ų | 83.7 | 23% | 0.23 | 40% | 0.402 | C | S | . | . | I | π-helix | trans | -98.3 | -18.4 | -169.5 | -57.9 | 175.5 | 0 | 0 | 0 | 114.2 | D22 L25 R56 W57 | D22-L61 HydrophobicContact CB-CD1 4.19Å; D22-L61 HydrophobicContact CB-CD2 3.73Å; L25-L61 HydrophobicContact CB-CD1 4.18Å; L25-L61 HydrophobicContact CD2-CD1 3.68Å; L25-L61 HydrophobicContact CG-CD1 4.01Å; R56-L61 HydrophobicContact CG-CD1 3.95Å; R56-L61 HydrophobicContact CG-CG 4.26Å; R56-L61 PolarHBondContact O-N 3.03Å; W57-L61 HydrophobicContact CD2-CB 4.4Å; W57-L61 HydrophobicContact CE3-CB 3.56Å; W57-L61 HydrophobicContact CE3-CD1 4.18Å; W57-L61 HydrophobicContact CZ3-CB 3.84Å; W57-L61 PolarHBondContact O-N 3.44Å |
| 62 | R | 87 | Confident | 84.5 | Confident | 94 Ų | 94 | 81.2 Ų | 81.2 | 36% | 0.355 | 39% | 0.389 | S | S | . | . | trans | -63.2 | 133.4 | -178.2 | -163.3 | 179.4 | -163.7 | -158.5 | -0.9 | 110.1 | E34 W57 N64 I65 | E34-R62 IonicContact OE1-CZ 2.73Å; E34-R62 IonicContact OE1-NE 3.62Å; E34-R62 PolarHBondContact OE1-NE 3.34Å; E34-R62 VanDerWaalsContact OE1-NE 3.17Å; E34-R62 IonicContact OE1-NH2 3.45Å; E34-R62 IonicContact OE2-NE 3.65Å; E34-R62 IonicContact OE2-NH2 3.23Å; W57-R62 WeakPolarHBondContact O-CB 3.35Å; W57-R62 PolarHBondContact O-N 3.25Å; R62-N64 PolarHBondContact O-N 3Å; R62-N64 VanDerWaalsContact O-N 3.08Å; R62-I65 HydrophobicContact CB-CD1 3.7Å; R62-I65 HydrophobicContact CB-CG1 3.99Å; R62-I65 WeakPolarHBondContact O-CG1 3.18Å; R62-I65 PolarHBondContact O-N 3.43Å | ||
| 63 | P | 82.3 | Confident | 83.5 | Confident | 109 Ų | 109 | 84.9 Ų | 84.9 | 71% | 0.708 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.8 | -174.6 | 23.5 | -34.9 | 0 | 0 | 0 | 114.1 | I65 | P63-I65 VanDerWaalsContact C-N 3.3Å; P63-I65 PolarHBondContact O-N 3.43Å |
| 64 | N | 81.8 | Confident | 82.8 | Confident | 109 Ų | 109 | 92.3 Ų | 92.3 | 58% | 0.583 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 5.3 | -176.4 | -60.9 | -10 | 0 | 0 | 0 | 113.8 | R62 G99 | R62-N64 PolarHBondContact O-N 3Å; R62-N64 VanDerWaalsContact O-N 3.08Å; N64-G99 VanDerWaalsContact O-CA 3.25Å; N64-G99 WeakPolarHBondContact O-CA 3.3Å |
| 65 | I | 83.8 | Confident | 82.1 | Confident | 21 Ų | 21 | 86.6 Ų | 86.6 | 11% | 0.108 | 42% | 0.42 | C | S | . | . | trans | -90 | 117.8 | -176.6 | -59 | 171 | 0 | 0 | 0 | 109.8 | L58 R62 P63 R67 T101 | L58-I65 VanDerWaalsContact O-CD1 3.29Å; L58-I65 WeakPolarHBondContact O-CD1 3.09Å; R62-I65 HydrophobicContact CB-CD1 3.7Å; R62-I65 HydrophobicContact CB-CG1 3.99Å; R62-I65 WeakPolarHBondContact O-CG1 3.18Å; R62-I65 PolarHBondContact O-N 3.43Å; P63-I65 VanDerWaalsContact C-N 3.3Å; P63-I65 PolarHBondContact O-N 3.43Å; I65-R67 PolarHBondContact O-N 3.18Å; I65-T101 HydrophobicContact CD1-CG2 3.96Å; I65-T101 HydrophobicContact CG1-CG2 3.92Å; I65-T101 HydrophobicContact CG2-CG2 3.93Å | ||
| 66 | R | 80 | Confident | 81.7 | Confident | 161 Ų | 161 | 81.6 Ų | 81.6 | 61% | 0.608 | 39% | 0.394 | S | S | * | . | trans | -81.6 | 96.9 | 176.5 | -65.2 | -172.3 | 72.5 | -169.5 | 2.5 | 110.1 | G68 G99 R100 | R66-G68 PolarHBondContact O-N 3.04Å; R66-G99 PolarHBondContact N-O 3.03Å; R66-R100 PolarHBondContact O-NH1 3.04Å | ||
| 67 | R | 77 | Confident | 81.1 | Confident | 221 Ų | 221 | 84.9 Ų | 84.9 | 83% | 0.834 | 41% | 0.414 | S | S | * | . | trans | -73 | 106.5 | 169.7 | -67.9 | 175.5 | -72.2 | -178.3 | -1.9 | 109.1 | I65 | I65-R67 PolarHBondContact O-N 3.18Š| ||
| 68 | G | 75.5 | Confident | 80.7 | Confident | 46 Ų | 46 | 87.8 Ų | 87.8 | 47% | 0.474 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 173.3 | 170.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | R66 R100 | R66-G68 PolarHBondContact O-N 3.04Å; G68-R100 PolarHBondContact O-NH1 3.4Å |
| 69 | N | 75 | Confident | 80.5 | Confident | 155 Ų | 155 | 84.9 Ų | 84.9 | 83% | 0.829 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 140.3 | 175.6 | -61.6 | 79.5 | 0 | 0 | 0 | 110.6 | S71 R100 | N69-S71 PolarHBondContact O-N 2.96Å; N69-R100 PolarHBondContact O-NH2 2.94Å |
| 70 | I | 76.8 | Confident | 80.3 | Confident | 30 Ų | 30 | 85.8 Ų | 85.8 | 15% | 0.154 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 126.7 | 172.2 | -69.8 | 166.8 | 0 | 0 | 0 | 107.1 | Y72 E75 I79 Y108 | I70-Y72 PolarHBondContact O-N 3.21Å; I70-E75 WeakPolarHBondContact CA-OE2 3.08Å; I70-E75 HydrophobicContact CG2-CB 3.45Å; I70-E75 VanDerWaalsContact CG2-CB 3.45Å; I70-E75 HydrophobicContact CG2-CG 4.42Å; I70-E75 WeakPolarHBondContact CG2-OE2 3.34Å; I70-I79 HydrophobicContact CG2-CD1 4.23Å; I70-Y108 HydrophobicContact CB-CD2 4.17Å; I70-Y108 HydrophobicContact CB-CE2 4.21Å; I70-Y108 VanDerWaalsContact CD1-CB 3.45Å; I70-Y108 HydrophobicContact CD1-CD1 4.26Å; I70-Y108 HydrophobicContact CD1-CD2 3.63Å; I70-Y108 HydrophobicContact CD1-CE2 4.46Å; I70-Y108 HydrophobicContact CD1-CG 3.5Å; I70-Y108 HydrophobicContact CG1-CD2 4.46Å; I70-Y108 HydrophobicContact CG2-CD2 4.42Å; I70-Y108 HydrophobicContact CG2-CE2 4.25Å |
| 71 | S | 77.4 | Confident | 80.1 | Confident | 54 Ų | 54 | 85.2 Ų | 85.2 | 38% | 0.378 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 121.3 | 177.2 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | N69 D73 E75 D76 | N69-S71 PolarHBondContact O-N 2.96Å; S71-D73 PolarHBondContact O-N 3.11Å; S71-E75 PolarHBondContact N-OE2 2.92Å; S71-E75 WeakPolarHBondContact O-CB 3.33Å; S71-E75 PolarHBondContact O-N 3.32Å; S71-D76 PolarHBondContact O-N 3.09Å |
| 72 | Y | 71.8 | Confident | 80.1 | Confident | 117 Ų | 117 | 83.3 Ų | 83.3 | 46% | 0.459 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.5 | -170.9 | -177.9 | -100.4 | 0 | 0 | 0 | 112.5 | I70 D76 R116 | I70-Y72 PolarHBondContact O-N 3.21Å; Y72-D76 HydrophobicContact CD2-CB 4.36Å; Y72-D76 HydrophobicContact CE2-CB 4.4Å; Y72-D76 WeakPolarHBondContact CE2-OD2 3.46Å; Y72-D76 WeakPolarHBondContact O-CB 3.25Å; Y72-R116 VanDerWaalsContact CE2-NH1 3.31Å; Y72-R116 PolarHBondContact OH-NH1 3.29Å; Y72-R116 PolarHBondContact OH-NH2 3.31Å |
| 73 | D | 70.6 | Confident | 80.1 | Confident | 108 Ų | 108 | 80 Ų | 80 | 58% | 0.578 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -56.4 | -172.8 | -56.4 | -46.5 | 0 | 0 | 0 | 111.4 | S71 L77 | S71-D73 PolarHBondContact O-N 3.11Å; D73-L77 WeakPolarHBondContact O-CB 3.26Å; D73-L77 WeakPolarHBondContact O-CD1 3.37Å; D73-L77 WeakPolarHBondContact O-CG 3.45Å |
| 74 | E | 74.9 | Confident | 80.2 | Confident | 156 Ų | 156 | 84.7 Ų | 84.7 | 73% | 0.729 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -84.1 | -47.1 | -174.1 | -61.5 | -179.9 | 139.1 | 0 | 0 | 112.7 | M78 | E74-M78 VanDerWaalsContact O-CB 3.25Å; E74-M78 WeakPolarHBondContact O-CB 3.47Å; E74-M78 PolarHBondContact O-N 3.26Å |
| 75 | E | 78.7 | Confident | 80.3 | Confident | 20 Ų | 20 | 83.7 Ų | 83.7 | 9% | 0.093 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -75.7 | -36.5 | -174.1 | -61.9 | -179.9 | 135.4 | 0 | 0 | 110.9 | I70 S71 M78 I79 L97 R100 | I70-E75 WeakPolarHBondContact CA-OE2 3.08Å; I70-E75 HydrophobicContact CG2-CB 3.45Å; I70-E75 VanDerWaalsContact CG2-CB 3.45Å; I70-E75 HydrophobicContact CG2-CG 4.42Å; I70-E75 WeakPolarHBondContact CG2-OE2 3.34Å; S71-E75 PolarHBondContact N-OE2 2.92Å; S71-E75 WeakPolarHBondContact O-CB 3.33Å; S71-E75 PolarHBondContact O-N 3.32Å; E75-M78 PolarHBondContact O-N 3.3Å; E75-I79 WeakPolarHBondContact O-CB 3.39Å; E75-I79 WeakPolarHBondContact O-CD1 3.19Å; E75-I79 WeakPolarHBondContact O-CG1 3.44Å; E75-I79 PolarHBondContact O-N 2.7Å; E75-L97 HydrophobicContact CG-CD2 4.33Å; E75-R100 WeakPolarHBondContact OE1-CG 3.3Å; E75-R100 IonicContact OE1-CZ 3.12Å; E75-R100 IonicContact OE1-NE 3.91Å; E75-R100 PolarHBondContact OE1-NE 3.36Å; E75-R100 IonicContact OE1-NH2 3.56Å; E75-R100 PolarHBondContact OE1-NH2 3.44Å; E75-R100 IonicContact OE2-CZ 2.81Å; E75-R100 IonicContact OE2-NE 3.53Å; E75-R100 PolarHBondContact OE2-NE 3.23Å; E75-R100 IonicContact OE2-NH2 3.93Å; E75-R100 PolarHBondContact OE2-NH2 3.12Å |
| 76 | D | 81.6 | Confident | 80.3 | Confident | 4 Ų | 4 | 83.1 Ų | 83.1 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.4 | -50.2 | 174.2 | -165.8 | 40.3 | 0 | 0 | 0 | 111.3 | S71 Y72 M78 I79 I80 Y108 R116 | S71-D76 PolarHBondContact O-N 3.09Å; Y72-D76 HydrophobicContact CD2-CB 4.36Å; Y72-D76 HydrophobicContact CE2-CB 4.4Å; Y72-D76 WeakPolarHBondContact CE2-OD2 3.46Å; Y72-D76 WeakPolarHBondContact O-CB 3.25Å; D76-M78 VanDerWaalsContact C-N 3.3Å; D76-M78 PolarHBondContact O-N 2.77Å; D76-I79 PolarHBondContact O-N 2.84Å; D76-I80 WeakPolarHBondContact O-CB 3.35Å; D76-I80 VanDerWaalsContact O-CG1 3.22Å; D76-I80 WeakPolarHBondContact O-CG1 3.47Å; D76-I80 PolarHBondContact O-N 3.33Å; D76-Y108 HydrophobicContact CB-CE1 4.43Å; D76-Y108 WeakPolarHBondContact CB-OH 3.29Å; D76-Y108 WeakPolarHBondContact OD1-CE1 3.34Å; D76-Y108 VanDerWaalsContact OD1-CZ 3.28Å; D76-Y108 PolarHBondContact OD1-OH 3.31Å; D76-R116 IonicContact OD2-NH1 2.92Å; D76-R116 PolarHBondContact OD2-NH1 3.12Å |
| 77 | L | 80.2 | Confident | 80.6 | Confident | 119 Ų | 119 | 76.8 Ų | 76.8 | 62% | 0.623 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.5 | -42.5 | 179.5 | -71.7 | 178 | 0 | 0 | 0 | 111.1 | D73 R81 | D73-L77 WeakPolarHBondContact O-CB 3.26Å; D73-L77 WeakPolarHBondContact O-CD1 3.37Å; D73-L77 WeakPolarHBondContact O-CG 3.45Å; L77-R81 WeakPolarHBondContact O-CB 3.22Å; L77-R81 PolarHBondContact O-N 3.38Å |
| 78 | M | 82.7 | Confident | 81.1 | Confident | 79 Ų | 79 | 71.6 Ų | 71.6 | 39% | 0.389 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 177.2 | -169.2 | 64 | 73.9 | 0 | 0 | 111.8 | E74 E75 D76 R81 L82 L97 | E74-M78 VanDerWaalsContact O-CB 3.25Å; E74-M78 WeakPolarHBondContact O-CB 3.47Å; E74-M78 PolarHBondContact O-N 3.26Å; E75-M78 PolarHBondContact O-N 3.3Å; D76-M78 VanDerWaalsContact C-N 3.3Å; D76-M78 PolarHBondContact O-N 2.77Å; M78-R81 PolarHBondContact O-N 2.94Å; M78-L82 HydrophobicContact CG-CD1 3.72Å; M78-L82 HydrophobicContact CG-CG 4.29Å; M78-L82 VanDerWaalsContact O-CB 3.26Å; M78-L82 WeakPolarHBondContact O-CB 3.45Å; M78-L82 VanDerWaalsContact O-CG 3.22Å; M78-L82 WeakPolarHBondContact O-CG 3.2Å; M78-L82 PolarHBondContact O-N 3.42Å; M78-L82 HydrophobicContact SD-CD1 4Å; M78-L82 HydrophobicContact SD-CG 4.14Å; M78-L97 HydrophobicContact CB-CD2 4.08Å; M78-L97 HydrophobicContact CG-CD2 3.86Å |
| 79 | I | 85 | Confident | 81.8 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 176.6 | -69.1 | 165.1 | 0 | 0 | 0 | 110.5 | I70 E75 D76 H83 I93 L97 I105 Y108 | I70-I79 HydrophobicContact CG2-CD1 4.23Å; E75-I79 WeakPolarHBondContact O-CB 3.39Å; E75-I79 WeakPolarHBondContact O-CD1 3.19Å; E75-I79 WeakPolarHBondContact O-CG1 3.44Å; E75-I79 PolarHBondContact O-N 2.7Å; D76-I79 PolarHBondContact O-N 2.84Å; I79-H83 WeakPolarHBondContact O-CB 3.49Å; I79-H83 PolarHBondContact O-N 3.35Å; I79-I93 HydrophobicContact CG1-CG2 4.47Å; I79-L97 HydrophobicContact CD1-CD1 4.01Å; I79-L97 HydrophobicContact CG1-CD1 3.5Å; I79-L97 VanDerWaalsContact CG1-CD1 3.5Å; I79-I105 HydrophobicContact CD1-CG1 4.26Å; I79-I105 HydrophobicContact CD1-CG2 4.05Å; I79-I105 HydrophobicContact CG1-CG2 3.92Å; I79-I105 HydrophobicContact CG2-CG2 3.86Å; I79-Y108 HydrophobicContact CD1-CD1 3.79Å; I79-Y108 HydrophobicContact CD1-CE1 4.17Å |
| 80 | I | 85.2 | Confident | 82.5 | Confident | 33 Ų | 33 | 69.2 Ų | 69.2 | 17% | 0.169 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 179.7 | -66.3 | 165 | 0 | 0 | 0 | 110.4 | D76 H83 R84 L113 | D76-I80 WeakPolarHBondContact O-CB 3.35Å; D76-I80 VanDerWaalsContact O-CG1 3.22Å; D76-I80 WeakPolarHBondContact O-CG1 3.47Å; D76-I80 PolarHBondContact O-N 3.33Å; I80-H83 PolarHBondContact O-N 3.45Å; I80-R84 WeakPolarHBondContact O-CG 3.38Å; I80-R84 PolarHBondContact O-N 3.39Å; I80-L113 HydrophobicContact CD1-CD2 3.96Å; I80-L113 HydrophobicContact CG1-CD1 3.83Å; I80-L113 HydrophobicContact CG1-CD2 4.08Å |
| 81 | R | 86.7 | Confident | 83 | Confident | 108 Ų | 108 | 71.2 Ų | 71.2 | 41% | 0.408 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 178.9 | -174.5 | 177.1 | -177.4 | -179.6 | 1.4 | 111.2 | L77 M78 R84 L85 D259 | L77-R81 WeakPolarHBondContact O-CB 3.22Å; L77-R81 PolarHBondContact O-N 3.38Å; M78-R81 PolarHBondContact O-N 2.94Å; R81-R84 PolarHBondContact O-N 3.42Å; R81-L85 HydrophobicContact CG-CD1 4.48Å; R81-L85 WeakPolarHBondContact O-CG 3.44Å; R81-L85 PolarHBondContact O-N 3.24Å; R81-D259 IonicContact CZ-OD1 3.84Å; R81-D259 IonicContact NH2-OD1 2.91Å; R81-D259 PolarHBondContact NH2-OD1 3.3Å; R81-D259 IonicContact NH2-OD2 3.51Å |
| 82 | L | 87.6 | Confident | 83.4 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.2 | -36.9 | 179.8 | -69.3 | 172.6 | 0 | 0 | 0 | 112.1 | M78 L85 L86 I93 R96 | M78-L82 HydrophobicContact CG-CD1 3.72Å; M78-L82 HydrophobicContact CG-CG 4.29Å; M78-L82 VanDerWaalsContact O-CB 3.26Å; M78-L82 WeakPolarHBondContact O-CB 3.45Å; M78-L82 VanDerWaalsContact O-CG 3.22Å; M78-L82 WeakPolarHBondContact O-CG 3.2Å; M78-L82 PolarHBondContact O-N 3.42Å; M78-L82 HydrophobicContact SD-CD1 4Å; M78-L82 HydrophobicContact SD-CG 4.14Å; L82-L85 PolarHBondContact O-N 2.82Å; L82-L86 HydrophobicContact CD2-CD1 4.47Å; L82-L86 VanDerWaalsContact O-CB 3.29Å; L82-L86 WeakPolarHBondContact O-CB 3.26Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 3.23Å; L82-I93 HydrophobicContact CB-CD1 4.46Å; L82-I93 HydrophobicContact CB-CG1 4.04Å; L82-I93 HydrophobicContact CB-CG2 4.1Å; L82-I93 HydrophobicContact CD1-CG2 3.9Å; L82-R96 HydrophobicContact CD1-CB 3.82Å; L82-R96 HydrophobicContact CD1-CG 4.13Å |
| 83 | H | 87.2 | Confident | 84.2 | Confident | 24 Ų | 24 | 63.3 Ų | 63.3 | 11% | 0.111 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 176.9 | -176.3 | -85.9 | 0 | 0 | 0 | 112.1 | I79 I80 L85 G87 N88 W90 I93 W109 | I79-H83 WeakPolarHBondContact O-CB 3.49Å; I79-H83 PolarHBondContact O-N 3.35Å; I80-H83 PolarHBondContact O-N 3.45Å; H83-L85 PolarHBondContact O-N 3Å; H83-G87 PolarHBondContact CD2-O 2.83Å; H83-G87 WeakPolarHBondContact O-CA 3.11Å; H83-G87 PolarHBondContact O-N 2.87Å; H83-N88 PolarHBondContact NE2-OD1 3.23Å; H83-W90 AromaticContact CD2-CH2 3.41Å; H83-W90 VanDerWaalsContact CD2-CH2 3.41Å; H83-W90 WeakPolarHBondContact CD2-CH2 3.45Å; H83-W90 AromaticContact CD2-CZ3 3.76Å; H83-W90 AromaticContact NE2-CH2 3.76Å; H83-I93 HydrophobicContact CB-CD1 4.24Å; H83-W109 HydrophobicContact CB-CE3 4.01Å; H83-W109 HydrophobicContact CB-CH2 4.41Å; H83-W109 HydrophobicContact CB-CZ3 3.69Å; H83-W109 AromaticContact CD2-CE3 3.82Å; H83-W109 AromaticContact CD2-CZ3 3.98Å; H83-W109 AromaticContact CE1-CE2 3.61Å; H83-W109 AromaticContact CE1-CH2 3.32Å; H83-W109 WeakPolarHBondContact CE1-CH2 3.47Å; H83-W109 AromaticContact CE1-CZ2 3.21Å; H83-W109 WeakPolarHBondContact CE1-CZ2 3.35Å; H83-W109 AromaticContact CE1-CZ3 3.77Å; H83-W109 AromaticContact CG-CE3 3.6Å; H83-W109 AromaticContact CG-CH2 3.69Å; H83-W109 AromaticContact CG-CZ3 3.33Å; H83-W109 AromaticContact ND1-CE3 3.86Å; H83-W109 AromaticContact ND1-CH2 3.03Å; H83-W109 WeakPolarHBondContact ND1-CH2 2.98Å; H83-W109 AromaticContact ND1-CZ2 3.48Å; H83-W109 WeakPolarHBondContact ND1-CZ2 3.28Å; H83-W109 AromaticContact ND1-CZ3 3.21Å; H83-W109 WeakPolarHBondContact ND1-CZ3 3.49Å; H83-W109 AromaticContact NE2-CD2 3.96Å; H83-W109 AromaticContact NE2-CE2 3.72Å; H83-W109 AromaticContact NE2-CZ2 3.81Å |
| 84 | R | 84.9 | Confident | 85 | Confident | 207 Ų | 207 | 58.9 Ų | 58.9 | 78% | 0.781 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.9 | -33.1 | 172.8 | -75.3 | 176.9 | -179.9 | 179.1 | 1.4 | 112.9 | I80 R81 | I80-R84 WeakPolarHBondContact O-CG 3.38Å; I80-R84 PolarHBondContact O-N 3.39Å; R81-R84 PolarHBondContact O-N 3.42Å |
| 85 | L | 84.2 | Confident | 85.5 | Confident | 89 Ų | 89 | 53.9 Ų | 53.9 | 47% | 0.466 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -85.8 | -42.5 | -178.7 | -65.8 | 170.6 | 0 | 0 | 0 | 112.8 | R81 L82 H83 | R81-L85 HydrophobicContact CG-CD1 4.48Å; R81-L85 WeakPolarHBondContact O-CG 3.44Å; R81-L85 PolarHBondContact O-N 3.24Å; L82-L85 PolarHBondContact O-N 2.82Å; H83-L85 PolarHBondContact O-N 3Å |
| 86 | L | 84.1 | Confident | 85.8 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -103.1 | -15.5 | -170.2 | -58.3 | 178.1 | 0 | 0 | 0 | 114.1 | L82 R89 L92 I93 L252 | L82-L86 HydrophobicContact CD2-CD1 4.47Å; L82-L86 VanDerWaalsContact O-CB 3.29Å; L82-L86 WeakPolarHBondContact O-CB 3.26Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 3.23Å; L86-R89 HydrophobicContact CB-CB 4.32Å; L86-R89 VanDerWaalsContact CD2-NH2 3.33Å; L86-R89 VanDerWaalsContact O-CZ 3.29Å; L86-R89 PolarHBondContact O-NE 3.16Å; L86-L92 HydrophobicContact CD1-CB 3.99Å; L86-I93 HydrophobicContact CD1-CG1 4.09Å; L86-L252 HydrophobicContact CD1-CD1 3.81Å; L86-L252 HydrophobicContact CD2-CD1 3.41Å; L86-L252 VanDerWaalsContact CD2-CD1 3.41Å; L86-L252 HydrophobicContact CD2-CD2 3.54Å; L86-L252 HydrophobicContact CD2-CG 4.02Å; L86-L252 HydrophobicContact CG-CD1 4.24Å; L86-L252 HydrophobicContact CG-CD2 4.49Å |
| 87 | G | 86.2 | Confident | 86 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 62.8 | -141.1 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112 | H83 R89 | H83-G87 PolarHBondContact CD2-O 2.83Å; H83-G87 WeakPolarHBondContact O-CA 3.11Å; H83-G87 PolarHBondContact O-N 2.87Å; G87-R89 PolarHBondContact O-N 3.03Å |
| 88 | N | 87.6 | Confident | 86.1 | Confident | 112 Ų | 112 | 56 Ų | 56 | 60% | 0.599 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -79.4 | 31.9 | -172.8 | -63.1 | -27.2 | 0 | 0 | 0 | 114.3 | H83 W90 | H83-N88 PolarHBondContact NE2-OD1 3.23Å; N88-W90 VanDerWaalsContact C-N 3.34Å; N88-W90 HydrophobicContact CB-CZ2 4.33Å; N88-W90 PolarHBondContact O-N 3.48Å |
| 89 | R | 88.8 | Confident | 86 | Confident | 115 Ų | 115 | 53.5 Ų | 53.5 | 43% | 0.434 | 28% | 0.283 | S | S | . | . | trans | -89.1 | 67.2 | 178.2 | -66 | -164.2 | -71.3 | -101 | 3.7 | 111.6 | L86 G87 S91 L92 I93 | L86-R89 HydrophobicContact CB-CB 4.32Å; L86-R89 VanDerWaalsContact CD2-NH2 3.33Å; L86-R89 VanDerWaalsContact O-CZ 3.29Å; L86-R89 PolarHBondContact O-NE 3.16Å; G87-R89 PolarHBondContact O-N 3.03Å; R89-S91 VanDerWaalsContact C-N 3.29Å; R89-S91 PolarHBondContact O-N 2.85Å; R89-L92 HydrophobicContact CB-CB 4.35Å; R89-L92 HydrophobicContact CB-CD1 3.91Å; R89-L92 HydrophobicContact CB-CG 4.26Å; R89-L92 HydrophobicContact CG-CD1 4.4Å; R89-L92 WeakPolarHBondContact O-CB 3.2Å; R89-L92 PolarHBondContact O-N 3.33Å; R89-I93 PolarHBondContact O-N 3.46Å | ||
| 90 | W | 89.9 | Confident | 86.1 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.4 | -36.2 | -172.3 | -53.8 | 114.8 | 0 | 0 | 0 | 114.9 | H83 N88 L92 I93 A94 D102 I105 K106 W109 | H83-W90 AromaticContact CD2-CH2 3.41Å; H83-W90 VanDerWaalsContact CD2-CH2 3.41Å; H83-W90 WeakPolarHBondContact CD2-CH2 3.45Å; H83-W90 AromaticContact CD2-CZ3 3.76Å; H83-W90 AromaticContact NE2-CH2 3.76Å; N88-W90 VanDerWaalsContact C-N 3.34Å; N88-W90 HydrophobicContact CB-CZ2 4.33Å; N88-W90 PolarHBondContact O-N 3.48Å; W90-L92 VanDerWaalsContact C-N 3.33Å; W90-L92 PolarHBondContact O-N 3.47Å; W90-I93 HydrophobicContact CE3-CD1 3.96Å; W90-I93 HydrophobicContact CZ3-CD1 4.1Å; W90-I93 PolarHBondContact O-N 3.06Å; W90-A94 WeakPolarHBondContact O-CB 3.44Å; W90-A94 PolarHBondContact O-N 2.92Å; W90-D102 HydrophobicContact CB-CB 3.9Å; W90-I105 HydrophobicContact CE3-CB 4.39Å; W90-I105 HydrophobicContact CE3-CG2 3.64Å; W90-I105 HydrophobicContact CZ3-CG2 3.87Å; W90-K106 HydrophobicContact CD2-CB 3.74Å; W90-K106 HydrophobicContact CD2-CG 4.28Å; W90-K106 HydrophobicContact CE3-CB 4.33Å; W90-K106 HydrophobicContact CG-CB 3.83Å; W90-K106 HydrophobicContact CG-CG 4.35Å; W90-K106 HydrophobicContact CZ2-CB 4.48Å; W90-K106 HydrophobicContact CZ2-CG 4.38Å; W90-W109 HydrophobicContact CH2-CB 3.47Å; W90-W109 VanDerWaalsContact CH2-CB 3.47Å; W90-W109 AromaticContact CH2-CD1 3.8Å; W90-W109 AromaticContact CH2-CD2 3.86Å; W90-W109 HydrophobicContact CH2-CD2 3.86Å; W90-W109 HydrophobicContact CH2-CE3 4.35Å; W90-W109 AromaticContact CH2-CG 3.39Å; W90-W109 HydrophobicContact CH2-CG 3.39Å; W90-W109 HydrophobicContact CZ2-CB 4.31Å; W90-W109 HydrophobicContact CZ2-CG 4.17Å; W90-W109 HydrophobicContact CZ3-CB 3.93Å; W90-W109 HydrophobicContact CZ3-CG 4.22Å |
| 91 | S | 87.5 | Confident | 86.3 | Confident | 72 Ų | 72 | 53.4 Ų | 53.4 | 50% | 0.503 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 177.5 | 49.4 | 0 | 0 | 0 | 0 | 112.6 | R89 G95 | R89-S91 VanDerWaalsContact C-N 3.29Å; R89-S91 PolarHBondContact O-N 2.85Å; S91-G95 PolarHBondContact O-N 3.32Å; S91-G95 VanDerWaalsContact O-N 3.12Å |
| 92 | L | 86.5 | Confident | 86.4 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.4 | -41.9 | 176.5 | -64.6 | 179.3 | 0 | 0 | 0 | 111.2 | L86 R89 W90 A94 G95 W245 D248 V249 L252 | L86-L92 HydrophobicContact CD1-CB 3.99Å; R89-L92 HydrophobicContact CB-CB 4.35Å; R89-L92 HydrophobicContact CB-CD1 3.91Å; R89-L92 HydrophobicContact CB-CG 4.26Å; R89-L92 HydrophobicContact CG-CD1 4.4Å; R89-L92 WeakPolarHBondContact O-CB 3.2Å; R89-L92 PolarHBondContact O-N 3.33Å; W90-L92 VanDerWaalsContact C-N 3.33Å; W90-L92 PolarHBondContact O-N 3.47Å; L92-A94 VanDerWaalsContact C-N 3.34Å; L92-G95 PolarHBondContact O-N 3.12Å; L92-W245 HydrophobicContact CD2-CE3 4.21Å; L92-D248 HydrophobicContact CD1-CB 4.07Å; L92-D248 HydrophobicContact CD2-CB 4.24Å; L92-V249 HydrophobicContact CD2-CG2 3.48Å; L92-V249 VanDerWaalsContact CD2-CG2 3.48Å; L92-L252 HydrophobicContact CD1-CD1 4.25Å |
| 93 | I | 87.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 176.9 | -56.4 | 176.5 | 0 | 0 | 0 | 110 | I79 L82 H83 L86 R89 W90 G95 R96 L97 I105 | I79-I93 HydrophobicContact CG1-CG2 4.47Å; L82-I93 HydrophobicContact CB-CD1 4.46Å; L82-I93 HydrophobicContact CB-CG1 4.04Å; L82-I93 HydrophobicContact CB-CG2 4.1Å; L82-I93 HydrophobicContact CD1-CG2 3.9Å; H83-I93 HydrophobicContact CB-CD1 4.24Å; L86-I93 HydrophobicContact CD1-CG1 4.09Å; R89-I93 PolarHBondContact O-N 3.46Å; W90-I93 HydrophobicContact CE3-CD1 3.96Å; W90-I93 HydrophobicContact CZ3-CD1 4.1Å; W90-I93 PolarHBondContact O-N 3.06Å; I93-G95 VanDerWaalsContact C-N 3.25Å; I93-G95 PolarHBondContact O-N 3.19Å; I93-R96 PolarHBondContact O-N 2.85Å; I93-L97 HydrophobicContact CG2-CD1 4.29Å; I93-L97 PolarHBondContact O-N 3.42Å; I93-I105 HydrophobicContact CG2-CD1 4.19Å; I93-I105 HydrophobicContact CG2-CG2 3.94Å |
| 94 | A | 87.6 | Confident | 86.5 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 13% | 0.132 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -34.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W90 L92 R96 L97 D102 I105 | W90-A94 WeakPolarHBondContact O-CB 3.44Å; W90-A94 PolarHBondContact O-N 2.92Å; L92-A94 VanDerWaalsContact C-N 3.34Å; A94-R96 PolarHBondContact O-N 3.18Å; A94-R96 VanDerWaalsContact O-N 3.13Å; A94-L97 PolarHBondContact O-N 3.38Å; A94-L97 VanDerWaalsContact O-N 3.12Å; A94-D102 HydrophobicContact CB-CB 4.06Å; A94-I105 HydrophobicContact CB-CD1 3.68Å |
| 95 | G | 86.6 | Confident | 86.6 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 52% | 0.515 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S91 L92 I93 | S91-G95 PolarHBondContact O-N 3.32Å; S91-G95 VanDerWaalsContact O-N 3.12Å; L92-G95 PolarHBondContact O-N 3.12Å; I93-G95 VanDerWaalsContact C-N 3.25Å; I93-G95 PolarHBondContact O-N 3.19Å |
| 96 | R | 84.7 | Confident | 86.8 | Confident | 67 Ų | 67 | 42.4 Ų | 42.4 | 25% | 0.253 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -12.5 | 176.8 | -62 | -63.2 | -174.9 | -92.7 | 2.2 | 113.6 | L82 I93 A94 P98 V249 | L82-R96 HydrophobicContact CD1-CB 3.82Å; L82-R96 HydrophobicContact CD1-CG 4.13Å; I93-R96 PolarHBondContact O-N 2.85Å; A94-R96 PolarHBondContact O-N 3.18Å; A94-R96 VanDerWaalsContact O-N 3.13Å; R96-P98 VanDerWaalsContact O-CD 3.3Å; R96-P98 WeakPolarHBondContact O-CD 3.42Å; R96-V249 PolarHBondContact NH2-O 2.97Å |
| 97 | L | 85.1 | Confident | 87.1 | Confident | 10 Ų | 10 | 45.7 Ų | 45.7 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -107.8 | 94.2 | -179.2 | -67.8 | 173.5 | 0 | 0 | 0 | 109.1 | E75 M78 I79 I93 A94 G99 R100 I105 | E75-L97 HydrophobicContact CG-CD2 4.33Å; M78-L97 HydrophobicContact CB-CD2 4.08Å; M78-L97 HydrophobicContact CG-CD2 3.86Å; I79-L97 HydrophobicContact CD1-CD1 4.01Å; I79-L97 HydrophobicContact CG1-CD1 3.5Å; I79-L97 VanDerWaalsContact CG1-CD1 3.5Å; I93-L97 HydrophobicContact CG2-CD1 4.29Å; I93-L97 PolarHBondContact O-N 3.42Å; A94-L97 PolarHBondContact O-N 3.38Å; A94-L97 VanDerWaalsContact O-N 3.12Å; L97-G99 PolarHBondContact O-N 2.91Å; L97-G99 VanDerWaalsContact O-N 3.16Å; L97-R100 HydrophobicContact CB-CB 3.88Å; L97-R100 HydrophobicContact CB-CG 4.08Å; L97-R100 PolarHBondContact O-N 3.48Å; L97-R100 VanDerWaalsContact O-N 3.07Å; L97-I105 HydrophobicContact CD1-CD1 3.72Å; L97-I105 HydrophobicContact CD1-CG1 4.01Å |
| 98 | P | 81.5 | Confident | 87.1 | Confident | 112 Ų | 112 | 45.6 Ų | 45.6 | 73% | 0.727 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 124 | -174.3 | 24.6 | -33.6 | 0 | 0 | 0 | 110.7 | R96 R100 | R96-P98 VanDerWaalsContact O-CD 3.3Å; R96-P98 WeakPolarHBondContact O-CD 3.42Å; P98-R100 VanDerWaalsContact C-N 3.33Å; P98-R100 PolarHBondContact O-N 2.81Å |
| 99 | G | 82 | Confident | 87.1 | Confident | 26 Ų | 26 | 43.4 Ų | 43.4 | 27% | 0.268 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 4.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N64 R66 L97 | N64-G99 VanDerWaalsContact O-CA 3.25Å; N64-G99 WeakPolarHBondContact O-CA 3.3Å; R66-G99 PolarHBondContact N-O 3.03Å; L97-G99 PolarHBondContact O-N 2.91Å; L97-G99 VanDerWaalsContact O-N 3.16Å |
| 100 | R | 86.2 | Confident | 86.9 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | trans | -100.7 | 145.4 | 169.6 | -60.9 | -58.2 | -174.8 | 172 | 5.7 | 111.2 | R66 G68 N69 E75 L97 P98 I105 | R66-R100 PolarHBondContact O-NH1 3.04Å; G68-R100 PolarHBondContact O-NH1 3.4Å; N69-R100 PolarHBondContact O-NH2 2.94Å; E75-R100 WeakPolarHBondContact OE1-CG 3.3Å; E75-R100 IonicContact OE1-CZ 3.12Å; E75-R100 IonicContact OE1-NE 3.91Å; E75-R100 PolarHBondContact OE1-NE 3.36Å; E75-R100 IonicContact OE1-NH2 3.56Å; E75-R100 PolarHBondContact OE1-NH2 3.44Å; E75-R100 IonicContact OE2-CZ 2.81Å; E75-R100 IonicContact OE2-NE 3.53Å; E75-R100 PolarHBondContact OE2-NE 3.23Å; E75-R100 IonicContact OE2-NH2 3.93Å; E75-R100 PolarHBondContact OE2-NH2 3.12Å; L97-R100 HydrophobicContact CB-CB 3.88Å; L97-R100 HydrophobicContact CB-CG 4.08Å; L97-R100 PolarHBondContact O-N 3.48Å; L97-R100 VanDerWaalsContact O-N 3.07Å; P98-R100 VanDerWaalsContact C-N 3.33Å; P98-R100 PolarHBondContact O-N 2.81Å; R100-I105 HydrophobicContact CB-CD1 4.36Å; R100-I105 HydrophobicContact CB-CG1 4.46Å | ||
| 101 | T | 89.4 | Confident | 86.6 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | trans | -97 | 154.6 | 177.7 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | I65 N103 E104 I105 | I65-T101 HydrophobicContact CD1-CG2 3.96Å; I65-T101 HydrophobicContact CG1-CG2 3.92Å; I65-T101 HydrophobicContact CG2-CG2 3.93Å; T101-N103 PolarHBondContact O-N 3.33Å; T101-E104 PolarHBondContact N-OE2 3.07Å; T101-E104 PolarHBondContact O-N 3.37Å; T101-E104 VanDerWaalsContact O-N 3.16Å; T101-E104 VanDerWaalsContact OG1-CD 3.28Å; T101-E104 WeakPolarHBondContact OG1-CG 3.43Å; T101-E104 PolarHBondContact OG1-N 3.22Å; T101-E104 PolarHBondContact OG1-OE2 3.36Å; T101-I105 WeakPolarHBondContact O-CG1 3.25Å; T101-I105 PolarHBondContact O-N 2.79Å; T101-I105 VanDerWaalsContact O-N 3.16Å | ||
| 102 | D | 89.2 | Confident | 86 | Confident | 64 Ų | 64 | 41.7 Ų | 41.7 | 34% | 0.342 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.3 | -36 | 175.1 | 65.4 | -54.6 | 0 | 0 | 0 | 111.8 | W90 A94 K106 | W90-D102 HydrophobicContact CB-CB 3.9Å; A94-D102 HydrophobicContact CB-CB 4.06Å; D102-K106 VanDerWaalsContact O-CB 3.26Å; D102-K106 WeakPolarHBondContact O-CB 3.43Å; D102-K106 PolarHBondContact O-N 2.9Å |
| 103 | N | 88.8 | Confident | 85.1 | Confident | 31 Ų | 31 | 42.3 Ų | 42.3 | 17% | 0.166 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.8 | -39.1 | 177.6 | -172.1 | 71.6 | 0 | 0 | 0 | 112.9 | N59 T101 K106 N107 | N59-N103 WeakPolarHBondContact OD1-CB 3.44Å; T101-N103 PolarHBondContact O-N 3.33Å; N103-K106 WeakPolarHBondContact OD1-CE 3.31Å; N103-K106 PolarHBondContact OD1-NZ 2.91Å; N103-N107 PolarHBondContact ND2-ND2 2.84Å; N103-N107 VanDerWaalsContact O-CB 3.3Å; N103-N107 WeakPolarHBondContact O-CB 3.47Å; N103-N107 PolarHBondContact O-N 2.84Å; N103-N107 PolarHBondContact O-ND2 3.05Å; N103-N107 PolarHBondContact O-OD1 2.79Å |
| 104 | E | 87.7 | Confident | 83.8 | Confident | 41 Ų | 41 | 44.6 Ų | 44.6 | 19% | 0.192 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 175.2 | -76 | 167.6 | 135.8 | 0 | 0 | 111.4 | T101 N107 Y108 | T101-E104 PolarHBondContact N-OE2 3.07Å; T101-E104 PolarHBondContact O-N 3.37Å; T101-E104 VanDerWaalsContact O-N 3.16Å; T101-E104 VanDerWaalsContact OG1-CD 3.28Å; T101-E104 WeakPolarHBondContact OG1-CG 3.43Å; T101-E104 PolarHBondContact OG1-N 3.22Å; T101-E104 PolarHBondContact OG1-OE2 3.36Å; E104-N107 PolarHBondContact O-N 3.22Å; E104-Y108 WeakPolarHBondContact O-CB 3.5Å; E104-Y108 PolarHBondContact O-N 3.33Å |
| 105 | I | 88 | Confident | 82.2 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -45.8 | -179.6 | -63.1 | 158.9 | 0 | 0 | 0 | 110.7 | I79 W90 I93 A94 L97 R100 T101 N107 Y108 W109 | I79-I105 HydrophobicContact CD1-CG1 4.26Å; I79-I105 HydrophobicContact CD1-CG2 4.05Å; I79-I105 HydrophobicContact CG1-CG2 3.92Å; I79-I105 HydrophobicContact CG2-CG2 3.86Å; W90-I105 HydrophobicContact CE3-CB 4.39Å; W90-I105 HydrophobicContact CE3-CG2 3.64Å; W90-I105 HydrophobicContact CZ3-CG2 3.87Å; I93-I105 HydrophobicContact CG2-CD1 4.19Å; I93-I105 HydrophobicContact CG2-CG2 3.94Å; A94-I105 HydrophobicContact CB-CD1 3.68Å; L97-I105 HydrophobicContact CD1-CD1 3.72Å; L97-I105 HydrophobicContact CD1-CG1 4.01Å; R100-I105 HydrophobicContact CB-CD1 4.36Å; R100-I105 HydrophobicContact CB-CG1 4.46Å; T101-I105 WeakPolarHBondContact O-CG1 3.25Å; T101-I105 PolarHBondContact O-N 2.79Å; T101-I105 VanDerWaalsContact O-N 3.16Å; I105-N107 VanDerWaalsContact C-N 3.32Å; I105-N107 PolarHBondContact O-N 2.8Å; I105-Y108 WeakPolarHBondContact O-CB 3.41Å; I105-Y108 PolarHBondContact O-N 2.81Å; I105-W109 PolarHBondContact O-N 3.2Å |
| 106 | K | 88.6 | Confident | 80.8 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 28% | 0.278 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58 | -44.6 | 174.4 | 177.6 | -171 | 72 | -153.7 | 0 | 111.7 | W90 D102 N103 Y108 W109 N110 | W90-K106 HydrophobicContact CD2-CB 3.74Å; W90-K106 HydrophobicContact CD2-CG 4.28Å; W90-K106 HydrophobicContact CE3-CB 4.33Å; W90-K106 HydrophobicContact CG-CB 3.83Å; W90-K106 HydrophobicContact CG-CG 4.35Å; W90-K106 HydrophobicContact CZ2-CB 4.48Å; W90-K106 HydrophobicContact CZ2-CG 4.38Å; D102-K106 VanDerWaalsContact O-CB 3.26Å; D102-K106 WeakPolarHBondContact O-CB 3.43Å; D102-K106 PolarHBondContact O-N 2.9Å; N103-K106 WeakPolarHBondContact OD1-CE 3.31Å; N103-K106 PolarHBondContact OD1-NZ 2.91Å; K106-Y108 VanDerWaalsContact C-N 3.34Å; K106-W109 PolarHBondContact O-N 3.03Å; K106-N110 VanDerWaalsContact O-CG 3.32Å; K106-N110 PolarHBondContact O-N 2.8Å; K106-N110 PolarHBondContact O-ND2 3.34Å; K106-N110 VanDerWaalsContact O-ND2 3.17Å |
| 107 | N | 89 | Confident | 79.3 | Confident | 79 Ų | 79 | 57 Ų | 57 | 42% | 0.422 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 178.1 | -74.4 | -10.5 | 0 | 0 | 0 | 111.5 | N103 E104 I105 N110 S111 | N103-N107 PolarHBondContact ND2-ND2 2.84Å; N103-N107 VanDerWaalsContact O-CB 3.3Å; N103-N107 WeakPolarHBondContact O-CB 3.47Å; N103-N107 PolarHBondContact O-N 2.84Å; N103-N107 PolarHBondContact O-ND2 3.05Å; N103-N107 PolarHBondContact O-OD1 2.79Å; E104-N107 PolarHBondContact O-N 3.22Å; I105-N107 VanDerWaalsContact C-N 3.32Å; I105-N107 PolarHBondContact O-N 2.8Å; N107-N110 PolarHBondContact O-N 3.31Å; N107-S111 VanDerWaalsContact O-CB 3.3Å; N107-S111 WeakPolarHBondContact O-CB 3.26Å; N107-S111 PolarHBondContact O-N 3.16Å; N107-S111 PolarHBondContact O-OG 2.82Å |
| 108 | Y | 86.4 | Confident | 77.7 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 10% | 0.102 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 176.8 | 179.9 | -100.8 | 0 | 0 | 0 | 111.9 | I70 D76 I79 E104 I105 K106 N110 S111 T112 | I70-Y108 HydrophobicContact CB-CD2 4.17Å; I70-Y108 HydrophobicContact CB-CE2 4.21Å; I70-Y108 VanDerWaalsContact CD1-CB 3.45Å; I70-Y108 HydrophobicContact CD1-CD1 4.26Å; I70-Y108 HydrophobicContact CD1-CD2 3.63Å; I70-Y108 HydrophobicContact CD1-CE2 4.46Å; I70-Y108 HydrophobicContact CD1-CG 3.5Å; I70-Y108 HydrophobicContact CG1-CD2 4.46Å; I70-Y108 HydrophobicContact CG2-CD2 4.42Å; I70-Y108 HydrophobicContact CG2-CE2 4.25Å; D76-Y108 HydrophobicContact CB-CE1 4.43Å; D76-Y108 WeakPolarHBondContact CB-OH 3.29Å; D76-Y108 WeakPolarHBondContact OD1-CE1 3.34Å; D76-Y108 VanDerWaalsContact OD1-CZ 3.28Å; D76-Y108 PolarHBondContact OD1-OH 3.31Å; I79-Y108 HydrophobicContact CD1-CD1 3.79Å; I79-Y108 HydrophobicContact CD1-CE1 4.17Å; E104-Y108 WeakPolarHBondContact O-CB 3.5Å; E104-Y108 PolarHBondContact O-N 3.33Å; I105-Y108 WeakPolarHBondContact O-CB 3.41Å; I105-Y108 PolarHBondContact O-N 2.81Å; K106-Y108 VanDerWaalsContact C-N 3.34Å; Y108-N110 PolarHBondContact O-N 3.48Å; Y108-S111 PolarHBondContact O-N 3.27Å; Y108-S111 PolarHBondContact O-OG 2.84Å; Y108-T112 VanDerWaalsContact CD2-OG1 3.31Å; Y108-T112 WeakPolarHBondContact CD2-OG1 3.38Å; Y108-T112 HydrophobicContact CE2-CG2 3.95Å; Y108-T112 WeakPolarHBondContact CE2-OG1 3.25Å; Y108-T112 VanDerWaalsContact O-CB 3.25Å; Y108-T112 WeakPolarHBondContact O-CB 3.49Å; Y108-T112 PolarHBondContact O-N 3.35Å; Y108-T112 PolarHBondContact O-OG1 2.93Å |
| 109 | W | 87 | Confident | 76.1 | Confident | 66 Ų | 66 | 57.1 Ų | 57.1 | 25% | 0.25 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -57.5 | -50.7 | 173.3 | 178.9 | -87.6 | 0 | 0 | 0 | 111.9 | H83 W90 I105 K106 S111 L113 G114 | H83-W109 HydrophobicContact CB-CE3 4.01Å; H83-W109 HydrophobicContact CB-CH2 4.41Å; H83-W109 HydrophobicContact CB-CZ3 3.69Å; H83-W109 AromaticContact CD2-CE3 3.82Å; H83-W109 AromaticContact CD2-CZ3 3.98Å; H83-W109 AromaticContact CE1-CE2 3.61Å; H83-W109 AromaticContact CE1-CH2 3.32Å; H83-W109 WeakPolarHBondContact CE1-CH2 3.47Å; H83-W109 AromaticContact CE1-CZ2 3.21Å; H83-W109 WeakPolarHBondContact CE1-CZ2 3.35Å; H83-W109 AromaticContact CE1-CZ3 3.77Å; H83-W109 AromaticContact CG-CE3 3.6Å; H83-W109 AromaticContact CG-CH2 3.69Å; H83-W109 AromaticContact CG-CZ3 3.33Å; H83-W109 AromaticContact ND1-CE3 3.86Å; H83-W109 AromaticContact ND1-CH2 3.03Å; H83-W109 WeakPolarHBondContact ND1-CH2 2.98Å; H83-W109 AromaticContact ND1-CZ2 3.48Å; H83-W109 WeakPolarHBondContact ND1-CZ2 3.28Å; H83-W109 AromaticContact ND1-CZ3 3.21Å; H83-W109 WeakPolarHBondContact ND1-CZ3 3.49Å; H83-W109 AromaticContact NE2-CD2 3.96Å; H83-W109 AromaticContact NE2-CE2 3.72Å; H83-W109 AromaticContact NE2-CZ2 3.81Å; W90-W109 HydrophobicContact CH2-CB 3.47Å; W90-W109 VanDerWaalsContact CH2-CB 3.47Å; W90-W109 AromaticContact CH2-CD1 3.8Å; W90-W109 AromaticContact CH2-CD2 3.86Å; W90-W109 HydrophobicContact CH2-CD2 3.86Å; W90-W109 HydrophobicContact CH2-CE3 4.35Å; W90-W109 AromaticContact CH2-CG 3.39Å; W90-W109 HydrophobicContact CH2-CG 3.39Å; W90-W109 HydrophobicContact CZ2-CB 4.31Å; W90-W109 HydrophobicContact CZ2-CG 4.17Å; W90-W109 HydrophobicContact CZ3-CB 3.93Å; W90-W109 HydrophobicContact CZ3-CG 4.22Å; I105-W109 PolarHBondContact O-N 3.2Å; K106-W109 PolarHBondContact O-N 3.03Å; W109-S111 VanDerWaalsContact C-N 3.3Å; W109-S111 PolarHBondContact O-N 2.81Å; W109-L113 HydrophobicContact CD2-CB 4.16Å; W109-L113 HydrophobicContact CD2-CD1 3.81Å; W109-L113 HydrophobicContact CE3-CB 4.22Å; W109-L113 HydrophobicContact CE3-CD1 3.09Å; W109-L113 HydrophobicContact CE3-CG 4.24Å; W109-L113 HydrophobicContact CG-CD1 4.48Å; W109-L113 HydrophobicContact CH2-CD1 4.23Å; W109-L113 HydrophobicContact CZ3-CB 4.43Å; W109-L113 HydrophobicContact CZ3-CD1 3.34Å; W109-L113 HydrophobicContact CZ3-CG 4.44Å; W109-L113 WeakPolarHBondContact O-CA 3.47Å; W109-L113 WeakPolarHBondContact O-CB 3.41Å; W109-L113 PolarHBondContact O-N 3.16Å; W109-G114 PolarHBondContact O-N 3.07Å; W109-G114 VanDerWaalsContact O-N 3.09Å |
| 110 | N | 85.5 | Confident | 74.1 | Confident | 103 Ų | 103 | 60.1 Ų | 60.1 | 55% | 0.551 | 36% | 0.361 | S | S | * | . | I | π-helix | trans | -66.4 | -29.6 | -178.3 | -70 | -30.4 | 0 | 0 | 0 | 113.4 | K106 N107 Y108 | K106-N110 VanDerWaalsContact O-CG 3.32Å; K106-N110 PolarHBondContact O-N 2.8Å; K106-N110 PolarHBondContact O-ND2 3.34Å; K106-N110 VanDerWaalsContact O-ND2 3.17Å; N107-N110 PolarHBondContact O-N 3.31Å; Y108-N110 PolarHBondContact O-N 3.48Å |
| 111 | S | 83.2 | Confident | 72 | Confident | 55 Ų | 55 | 63 Ų | 63 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | I | π-helix | trans | -93.9 | -39.3 | -176.9 | 57.5 | 0 | 0 | 0 | 0 | 114.2 | N107 Y108 W109 R115 | N107-S111 VanDerWaalsContact O-CB 3.3Å; N107-S111 WeakPolarHBondContact O-CB 3.26Å; N107-S111 PolarHBondContact O-N 3.16Å; N107-S111 PolarHBondContact O-OG 2.82Å; Y108-S111 PolarHBondContact O-N 3.27Å; Y108-S111 PolarHBondContact O-OG 2.84Å; W109-S111 VanDerWaalsContact C-N 3.3Å; W109-S111 PolarHBondContact O-N 2.81Å; S111-R115 PolarHBondContact O-NH1 3.13Å |
| 112 | T | 75.5 | Confident | 69.5 | Low | 27 Ų | 27 | 66.1 Ų | 66.1 | 17% | 0.166 | 42% | 0.424 | C | S | . | . | I | π-helix | trans | -94.6 | -46.3 | -174.9 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | Y108 R115 R116 | Y108-T112 VanDerWaalsContact CD2-OG1 3.31Å; Y108-T112 WeakPolarHBondContact CD2-OG1 3.38Å; Y108-T112 HydrophobicContact CE2-CG2 3.95Å; Y108-T112 WeakPolarHBondContact CE2-OG1 3.25Å; Y108-T112 VanDerWaalsContact O-CB 3.25Å; Y108-T112 WeakPolarHBondContact O-CB 3.49Å; Y108-T112 PolarHBondContact O-N 3.35Å; Y108-T112 PolarHBondContact O-OG1 2.93Å; T112-R115 PolarHBondContact O-N 3.12Å; T112-R116 PolarHBondContact O-N 2.94Å |
| 113 | L | 67.1 | Low | 67.1 | Low | 19 Ų | 19 | 68.1 Ų | 68.1 | 10% | 0.099 | 45% | 0.449 | C | S | . | . | I | π-helix | trans | -87.6 | -28.4 | -172.9 | -62.2 | 169.8 | 0 | 0 | 0 | 112.1 | I80 W109 R115 R116 A117 | I80-L113 HydrophobicContact CD1-CD2 3.96Å; I80-L113 HydrophobicContact CG1-CD1 3.83Å; I80-L113 HydrophobicContact CG1-CD2 4.08Å; W109-L113 HydrophobicContact CD2-CB 4.16Å; W109-L113 HydrophobicContact CD2-CD1 3.81Å; W109-L113 HydrophobicContact CE3-CB 4.22Å; W109-L113 HydrophobicContact CE3-CD1 3.09Å; W109-L113 HydrophobicContact CE3-CG 4.24Å; W109-L113 HydrophobicContact CG-CD1 4.48Å; W109-L113 HydrophobicContact CH2-CD1 4.23Å; W109-L113 HydrophobicContact CZ3-CB 4.43Å; W109-L113 HydrophobicContact CZ3-CD1 3.34Å; W109-L113 HydrophobicContact CZ3-CG 4.44Å; W109-L113 WeakPolarHBondContact O-CA 3.47Å; W109-L113 WeakPolarHBondContact O-CB 3.41Å; W109-L113 PolarHBondContact O-N 3.16Å; L113-R115 PolarHBondContact O-N 3.13Å; L113-R116 PolarHBondContact O-N 3.17Å; L113-A117 PolarHBondContact O-N 3.1Å |
| 114 | G | 60.6 | Low | 64.4 | Low | 47 Ų | 47 | 70.4 Ų | 70.4 | 49% | 0.485 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.2 | -32.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113 | W109 | W109-G114 PolarHBondContact O-N 3.07Å; W109-G114 VanDerWaalsContact O-N 3.09Å |
| 115 | R | 54.6 | Low | 62.1 | Low | 167 Ų | 167 | 72.4 Ų | 72.4 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -76.9 | -36 | 172.4 | -68.7 | -162.9 | -66.5 | -104.2 | 0 | 112.5 | S111 T112 L113 A117 G118 A119 | S111-R115 PolarHBondContact O-NH1 3.13Å; T112-R115 PolarHBondContact O-N 3.12Å; L113-R115 PolarHBondContact O-N 3.13Å; R115-A117 VanDerWaalsContact C-N 3.35Å; R115-A117 PolarHBondContact O-N 3.1Å; R115-G118 PolarHBondContact O-N 2.78Å; R115-A119 WeakPolarHBondContact O-CA 2.92Å; R115-A119 WeakPolarHBondContact O-CB 3.18Å; R115-A119 PolarHBondContact O-N 3.23Å |
| 116 | R | 56.3 | Low | 60 | Low | 129 Ų | 129 | 77.2 Ų | 77.2 | 49% | 0.487 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.1 | -25.2 | -179.9 | -73.3 | -175.9 | -179.4 | 157.6 | 0.9 | 114.7 | Y72 D76 T112 L113 | Y72-R116 VanDerWaalsContact CE2-NH1 3.31Å; Y72-R116 PolarHBondContact OH-NH1 3.29Å; Y72-R116 PolarHBondContact OH-NH2 3.31Å; D76-R116 IonicContact OD2-NH1 2.92Å; D76-R116 PolarHBondContact OD2-NH1 3.12Å; T112-R116 PolarHBondContact O-N 2.94Å; L113-R116 PolarHBondContact O-N 3.17Å |
| 117 | A | 53.3 | Low | 58.2 | Low | 99 Ų | 99 | 85.5 Ų | 85.5 | 82% | 0.818 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -10.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | L113 R115 | L113-A117 PolarHBondContact O-N 3.1Å; R115-A117 VanDerWaalsContact C-N 3.35Å; R115-A117 PolarHBondContact O-N 3.1Å |
| 118 | G | 51.2 | Low | 56.4 | Low | 57 Ų | 57 | 87 Ų | 87 | 59% | 0.588 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131 | -14.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | R115 G120 | R115-G118 PolarHBondContact O-N 2.78Å; G118-G120 PolarHBondContact O-N 2.73Å |
| 119 | A | 47.9 | Very low | 54.6 | Low | 66 Ų | 66 | 91.7 Ų | 91.7 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.4 | 43.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R115 | R115-A119 WeakPolarHBondContact O-CA 2.92Å; R115-A119 WeakPolarHBondContact O-CB 3.18Å; R115-A119 PolarHBondContact O-N 3.23Å |
| 120 | G | 41 | Very low | 52.8 | Low | 90 Ų | 90 | 95.9 Ų | 95.9 | 93% | 0.928 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -1.2 | 150 | 0 | 0 | 0 | 0 | 0 | 112.7 | G118 | G118-G120 PolarHBondContact O-N 2.73Š|
| 121 | A | 41.4 | Very low | 51.1 | Low | 80 Ų | 80 | 94.4 Ų | 94.4 | 66% | 0.661 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -142.9 | 120.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 122 | G | 36.4 | Very low | 49.8 | Very low | 78 Ų | 78 | 98 Ų | 98 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | trans | 93.2 | 100.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 123 | A | 38.9 | Very low | 48 | Very low | 106 Ų | 106 | 103.6 Ų | 103.6 | 88% | 0.876 | 70% | 0.697 | S | S | * | * | trans | -52.9 | 152.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 124 | G | 33.4 | Very low | 47.1 | Very low | 78 Ų | 78 | 109.8 Ų | 109.8 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | 72.4 | 61.4 | 141.9 | 0 | 0 | 0 | 0 | 0 | 118 | S126 | G124-S126 VanDerWaalsContact C-N 3.32Å; G124-S126 PolarHBondContact O-N 2.83Å; G124-S126 VanDerWaalsContact O-N 3.14Å | ||
| 125 | G | 38.8 | Very low | 46.3 | Very low | 84 Ų | 84 | 111.1 Ų | 111.1 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | trans | -83 | 72.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R127 | G125-R127 PolarHBondContact O-N 2.83Š| ||
| 126 | S | 44.5 | Very low | 45.9 | Very low | 102 Ų | 102 | 108.7 Ų | 108.7 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -60.2 | 120.8 | 163.1 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | G124 V128 | G124-S126 VanDerWaalsContact C-N 3.32Å; G124-S126 PolarHBondContact O-N 2.83Å; G124-S126 VanDerWaalsContact O-N 3.14Å; S126-V128 VanDerWaalsContact C-N 3.27Å; S126-V128 PolarHBondContact O-N 3.23Å | ||
| 127 | R | 51 | Low | 45.5 | Very low | 237 Ų | 237 | 112 Ų | 112 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | -70.1 | 85 | 174.5 | -178.1 | 178.3 | 172 | 142.7 | -1.8 | 108.6 | G125 | G125-R127 PolarHBondContact O-N 2.83Š| ||
| 128 | V | 49.6 | Very low | 45 | Very low | 112 Ų | 112 | 111.2 Ų | 111.2 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | trans | -73.9 | 123.4 | 162 | 173.6 | 0 | 0 | 0 | 0 | 107.7 | S126 I130 | S126-V128 VanDerWaalsContact C-N 3.27Å; S126-V128 PolarHBondContact O-N 3.23Å; V128-I130 PolarHBondContact O-N 3.05Å | ||
| 129 | V | 48.9 | Very low | 45.1 | Very low | 124 Ų | 124 | 115.3 Ų | 115.3 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -66.7 | 114.8 | 169.5 | 174.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 130 | I | 49.7 | Very low | 45.1 | Very low | 154 Ų | 154 | 118.4 Ų | 118.4 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -92.2 | 110.4 | 166.5 | -61.1 | -164.4 | 0 | 0 | 0 | 107.3 | V128 | V128-I130 PolarHBondContact O-N 3.05Š| ||
| 131 | A | 49.9 | Very low | 45.2 | Very low | 72 Ų | 72 | 119 Ų | 119 | 60% | 0.595 | 80% | 0.797 | S | S | * | * | trans | -76.4 | 143.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 132 | P | 55.2 | Low | 45.4 | Very low | 129 Ų | 129 | 119.3 Ų | 119.3 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -85.3 | 113.7 | 171.4 | 31.8 | -28.4 | 0 | 0 | 0 | 109.6 | ||||
| 133 | D | 38.7 | Very low | 45.9 | Very low | 145 Ų | 145 | 121.5 Ų | 121.5 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | -111.2 | 126.6 | 158.5 | 76.4 | -74.9 | 0 | 0 | 0 | 109.6 | ||||
| 134 | T | 48 | Very low | 46.4 | Very low | 149 Ų | 149 | 122.3 Ų | 122.3 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | trans | -163.9 | 101.2 | 160 | 2.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 135 | G | 43.7 | Very low | 47 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -178.3 | 67.3 | -175 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 136 | S | 46.2 | Very low | 47.2 | Very low | 116 Ų | 116 | 125 Ų | 125 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -32.6 | 125.8 | 174 | -47 | 0 | 0 | 0 | 0 | 115 | ||||
| 137 | H | 47 | Very low | 47 | Very low | 199 Ų | 199 | 123.4 Ų | 123.4 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -161.8 | 133.2 | 136.8 | -117.8 | -83.6 | 0 | 0 | 0 | 111 | ||||
| 138 | A | 42.9 | Very low | 46.8 | Very low | 83 Ų | 83 | 121.2 Ų | 121.2 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | trans | -73 | 151.4 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 139 | T | 54.5 | Low | 46.5 | Very low | 143 Ų | 143 | 121.7 Ų | 121.7 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | 170.4 | 131.6 | 127.7 | 29.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 140 | P | 46.9 | Very low | 46.2 | Very low | 131 Ų | 131 | 118.9 Ų | 118.9 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -116.3 | 148.2 | 178.6 | 38.4 | -27 | 0 | 0 | 0 | 114.2 | ||||
| 141 | A | 43.9 | Very low | 46.3 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -177.8 | 143.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 142 | A | 45.3 | Very low | 46 | Very low | 86 Ų | 86 | 127.6 Ų | 127.6 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | cis | -170.7 | 167.1 | -7.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 143 | T | 47.6 | Very low | 45.3 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 76% | 0.761 | 82% | 0.824 | S | S | * | * | trans | 85.6 | 96.6 | 155.2 | -40.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 144 | S | 49 | Very low | 45.6 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | 78.7 | 122.3 | 75.8 | -61.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 145 | G | 44.8 | Very low | 45.5 | Very low | 84 Ų | 84 | 120.5 Ų | 120.5 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | 168.4 | 92.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 146 | S | 44.4 | Very low | 45.9 | Very low | 135 Ų | 135 | 122.5 Ų | 122.5 | 94% | 0.944 | 82% | 0.818 | S | S | * | * | trans | -81.2 | 162.4 | 179.6 | -67 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 147 | G | 40.2 | Very low | 45.8 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | trans | 155.9 | 95.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 148 | E | 46.8 | Very low | 46 | Very low | 191 Ų | 191 | 123.5 Ų | 123.5 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | 56.7 | 140 | 86.5 | -78.4 | -159.1 | 72.3 | 0 | 0 | 114.5 | |||||
| 149 | T | 42.6 | Very low | 46.5 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | cis | -174.1 | 149.4 | -7.1 | -71.7 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 150 | G | 43.7 | Very low | 46.5 | Very low | 65 Ų | 65 | 124.7 Ų | 124.7 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | trans | 164.7 | 91.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 151 | Q | 51.8 | Low | 46.5 | Very low | 189 Ų | 189 | 126 Ų | 126 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | 53.7 | 112.6 | 136.9 | -59.8 | 172.1 | -6.3 | 0 | 0 | 120.8 | ||||
| 152 | K | 43.3 | Very low | 46.6 | Very low | 219 Ų | 219 | 127.1 Ų | 127.1 | 95% | 0.952 | 82% | 0.815 | S | S | * | * | 68.8 | 121.7 | 67.9 | -79.9 | -165.2 | 178.2 | -178.6 | 0 | 117.4 | |||||
| 153 | G | 41 | Very low | 46.6 | Very low | 82 Ų | 82 | 128 Ų | 128 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | 138.4 | 141.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 154 | A | 43.2 | Very low | 46.3 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | cis | -165 | 148 | -18 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 155 | A | 46.7 | Very low | 46.1 | Very low | 90 Ų | 90 | 126.1 Ų | 126.1 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | trans | -78.6 | 171 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 156 | P | 52.4 | Low | 46.3 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | -148 | 144.6 | 77.4 | 32 | -9.9 | 0 | 0 | 0 | 115.2 | |||||
| 157 | R | 45 | Very low | 46.5 | Very low | 232 Ų | 232 | 128.3 Ų | 128.3 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | 47.2 | 116.9 | 103.9 | -59.5 | -164.7 | 176.5 | -150.3 | -0.4 | 117.8 | |||||
| 158 | A | 49.4 | Very low | 46.6 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -148.2 | 134.6 | 145.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 159 | D | 54.4 | Low | 46.7 | Very low | 150 Ų | 150 | 127.9 Ų | 127.9 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -83.4 | 174 | -168.5 | -80.4 | -64 | 0 | 0 | 0 | 114.4 | ||||
| 160 | P | 55.2 | Low | 47 | Very low | 102 Ų | 102 | 126.6 Ų | 126.6 | 66% | 0.662 | 81% | 0.814 | S | S | * | * | trans | -101.7 | 159.2 | -164.8 | 38.7 | -29.7 | 0 | 0 | 0 | 113.6 | ||||
| 161 | D | 46 | Very low | 47.1 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | 168.6 | 122.6 | 144.2 | -94.4 | -36 | 0 | 0 | 0 | 111 | ||||
| 162 | S | 46.1 | Very low | 47 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 88% | 0.881 | 82% | 0.815 | S | S | * | * | trans | -176.3 | 109.1 | 142 | -89.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 163 | A | 44.9 | Very low | 47.4 | Very low | 105 Ų | 105 | 119.6 Ų | 119.6 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -61.4 | 130.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 164 | G | 42.7 | Very low | 47.8 | Very low | 70 Ų | 70 | 125.7 Ų | 125.7 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | -136.7 | 87.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | T166 | G164-T166 PolarHBondContact O-N 2.79Š| ||
| 165 | T | 43.7 | Very low | 48.1 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -67.5 | 112.8 | 169.3 | -59.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 166 | T | 49.6 | Very low | 48.8 | Very low | 137 Ų | 137 | 124.4 Ų | 124.4 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -125.5 | 114.3 | 162.1 | 26.1 | 0 | 0 | 0 | 0 | 110.5 | G164 | G164-T166 PolarHBondContact O-N 2.79Š| ||
| 167 | T | 47.7 | Very low | 49 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -44.4 | 128.2 | 178.4 | -57.8 | 0 | 0 | 0 | 0 | 113.9 | S169 | T167-S169 PolarHBondContact O-N 3.46Š| ||
| 168 | T | 42.9 | Very low | 49.2 | Very low | 137 Ų | 137 | 122 Ų | 122 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -54.8 | 110.2 | 166.4 | -40.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 169 | S | 49.1 | Very low | 49.3 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -101.4 | 106.5 | 162.8 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | T167 A171 | T167-S169 PolarHBondContact O-N 3.46Å; S169-A171 PolarHBondContact O-N 2.97Å | ||
| 170 | A | 47.6 | Very low | 49 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -69 | 99 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | A172 | A170-A172 PolarHBondContact O-N 2.98Å; A170-A172 VanDerWaalsContact O-N 3.14Å | ||
| 171 | A | 46.8 | Very low | 48.4 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -66.8 | 109.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | S169 V173 | S169-A171 PolarHBondContact O-N 2.97Å; A171-V173 PolarHBondContact O-N 2.84Å; A171-V173 VanDerWaalsContact O-N 3.07Å | ||
| 172 | A | 50.6 | Low | 48.8 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -60.4 | 109 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | A170 W174 | A170-A172 PolarHBondContact O-N 2.98Å; A170-A172 VanDerWaalsContact O-N 3.14Å; A172-W174 PolarHBondContact O-N 3.25Å | ||
| 173 | V | 50.3 | Low | 48.4 | Very low | 136 Ų | 136 | 123 Ų | 123 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -70.1 | 109.4 | 171.9 | 176.5 | 0 | 0 | 0 | 0 | 107.8 | A171 A175 | A171-V173 PolarHBondContact O-N 2.84Å; A171-V173 VanDerWaalsContact O-N 3.07Å; V173-A175 PolarHBondContact O-N 2.91Å | ||
| 174 | W | 48.8 | Very low | 48.1 | Very low | 209 Ų | 209 | 120.2 Ų | 120.2 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -71 | 110.9 | 168.8 | 178.7 | 72.9 | 0 | 0 | 0 | 109.1 | A172 P176 | A172-W174 PolarHBondContact O-N 3.25Å; W174-P176 HydrophobicContact CH2-CB 4.13Å; W174-P176 HydrophobicContact CZ2-CB 4.26Å; W174-P176 HydrophobicContact CZ3-CB 4.47Å; W174-P176 HydrophobicContact CZ3-CG 4.5Å | ||
| 175 | A | 51.2 | Low | 48.1 | Very low | 78 Ų | 78 | 124.5 Ų | 124.5 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | trans | -98.8 | 113.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | V173 K177 | V173-A175 PolarHBondContact O-N 2.91Å; A175-K177 PolarHBondContact O-N 3.03Å | ||
| 176 | P | 60.5 | Low | 48 | Very low | 89 Ų | 89 | 126.1 Ų | 126.1 | 58% | 0.578 | 77% | 0.77 | S | S | * | * | trans | -64.8 | 136 | 172.8 | 25.9 | -31.7 | 0 | 0 | 0 | 109.7 | W174 A178 | W174-P176 HydrophobicContact CH2-CB 4.13Å; W174-P176 HydrophobicContact CZ2-CB 4.26Å; W174-P176 HydrophobicContact CZ3-CB 4.47Å; W174-P176 HydrophobicContact CZ3-CG 4.5Å; P176-A178 PolarHBondContact O-N 3.36Å | ||
| 177 | K | 56.6 | Low | 47.5 | Very low | 196 Ų | 196 | 128.9 Ų | 128.9 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | trans | -59.8 | 132.9 | 175.6 | -73.1 | -174.9 | 167.1 | 77.1 | 0 | 109.3 | A175 V179 | A175-K177 PolarHBondContact O-N 3.03Å; K177-V179 PolarHBondContact O-N 2.88Å; K177-V179 VanDerWaalsContact O-N 3.08Å | ||
| 178 | A | 50.3 | Low | 47.3 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | -58.5 | 113.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | P176 R180 | P176-A178 PolarHBondContact O-N 3.36Å; A178-R180 PolarHBondContact O-N 2.97Å | ||
| 179 | V | 51.5 | Low | 47.1 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -75.6 | 110.9 | 168.8 | 173.6 | 0 | 0 | 0 | 0 | 107.2 | K177 C181 | K177-V179 PolarHBondContact O-N 2.88Å; K177-V179 VanDerWaalsContact O-N 3.08Å; V179-C181 PolarHBondContact O-N 3.06Å; V179-C181 VanDerWaalsContact O-N 3.16Å | ||
| 180 | R | 46.6 | Very low | 46.8 | Very low | 220 Ų | 220 | 139 Ų | 139 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | -73.5 | 98.9 | 170.7 | -168.2 | -178 | -173.5 | 136.7 | -0.2 | 107.3 | A178 T182 | A178-R180 PolarHBondContact O-N 2.97Å; R180-T182 HydrophobicContact CG-CG2 4.32Å; R180-T182 PolarHBondContact O-N 3.21Å | ||
| 181 | C | 43.6 | Very low | 46.6 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -72.3 | 85.6 | 167.8 | -66.6 | 0 | 0 | 0 | 0 | 108.5 | V179 G183 | V179-C181 PolarHBondContact O-N 3.06Å; V179-C181 VanDerWaalsContact O-N 3.16Å; C181-G183 PolarHBondContact O-N 3.48Å | ||
| 182 | T | 53 | Low | 46.5 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | -67.3 | 106.8 | 158.9 | 41.5 | 0 | 0 | 0 | 0 | 107.1 | R180 G184 | R180-T182 HydrophobicContact CG-CG2 4.32Å; R180-T182 PolarHBondContact O-N 3.21Å; T182-G184 PolarHBondContact O-N 3.03Å | ||
| 183 | G | 38.7 | Very low | 46.6 | Very low | 86 Ų | 86 | 144 Ų | 144 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | trans | -55.9 | 103 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | C181 | C181-G183 PolarHBondContact O-N 3.48Š| ||
| 184 | G | 37.9 | Very low | 46.2 | Very low | 47 Ų | 47 | 143 Ų | 143 | 49% | 0.485 | 77% | 0.767 | S | S | . | * | trans | -114.6 | 117.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | T182 F186 | T182-G184 PolarHBondContact O-N 3.03Å; G184-F186 PolarHBondContact O-N 3.33Å | ||
| 185 | L | 43 | Very low | 46 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -54 | 103.6 | 158.9 | -87.2 | 91.8 | 0 | 0 | 0 | 107.7 | F187 | L185-F187 HydrophobicContact CD2-CE2 4.43Š| ||
| 186 | F | 41.4 | Very low | 45.8 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 75% | 0.746 | 78% | 0.778 | S | S | * | * | trans | -109.9 | 95 | 160.9 | -83.6 | -82 | 0 | 0 | 0 | 107.9 | G184 F188 | G184-F186 PolarHBondContact O-N 3.33Å; F186-F188 VanDerWaalsContact C-N 3.32Å; F186-F188 HydrophobicContact CB-CD2 4.21Å; F186-F188 HydrophobicContact CB-CE2 4.44Å; F186-F188 HydrophobicContact CD1-CE2 4.41Å; F186-F188 PolarHBondContact O-N 2.95Å | ||
| 187 | F | 40.5 | Very low | 45.1 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -56.6 | 100.3 | 150.2 | -91.7 | -97.1 | 0 | 0 | 0 | 107.2 | L185 H189 | L185-F187 HydrophobicContact CD2-CE2 4.43Å; F187-H189 PolarHBondContact O-N 3.43Å | ||
| 188 | F | 42.8 | Very low | 44.4 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -87.5 | 104.6 | 159.5 | -100.8 | -81.9 | 0 | 0 | 0 | 108.2 | F186 R190 | F186-F188 VanDerWaalsContact C-N 3.32Å; F186-F188 HydrophobicContact CB-CD2 4.21Å; F186-F188 HydrophobicContact CB-CE2 4.44Å; F186-F188 HydrophobicContact CD1-CE2 4.41Å; F186-F188 PolarHBondContact O-N 2.95Å; F188-R190 PolarHBondContact O-N 3.5Å | ||
| 189 | H | 39.6 | Very low | 44.2 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -50 | 119.5 | 161.1 | -148 | 55.3 | 0 | 0 | 0 | 108.2 | F187 D191 | F187-H189 PolarHBondContact O-N 3.43Å; H189-D191 PolarHBondContact O-N 3.03Å | ||
| 190 | R | 42.1 | Very low | 43.9 | Very low | 244 Ų | 244 | 141.4 Ų | 141.4 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -82.3 | 99 | 174.3 | -170.1 | 164.5 | 85.6 | 164.2 | 5.3 | 107.8 | F188 T192 | F188-R190 PolarHBondContact O-N 3.5Å; R190-T192 PolarHBondContact O-N 3.35Å | ||
| 191 | D | 44 | Very low | 43.9 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -63.5 | 117.8 | 172.6 | -88.8 | -43.9 | 0 | 0 | 0 | 111.5 | H189 | H189-D191 PolarHBondContact O-N 3.03Š| ||
| 192 | T | 43.3 | Very low | 44.4 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -0.3 | 118.8 | 139.9 | -46.4 | 0 | 0 | 0 | 0 | 117.6 | R190 | R190-T192 PolarHBondContact O-N 3.35Š| ||
| 193 | T | 53.2 | Low | 44.4 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -120.1 | 126.5 | 151 | 44 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 194 | P | 40.9 | Very low | 45 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -94.8 | 170.3 | -177.3 | 37 | -32.4 | 0 | 0 | 0 | 113.4 | ||||
| 195 | A | 45.1 | Very low | 45.6 | Very low | 89 Ų | 89 | 143 Ų | 143 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | 88.7 | 103.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 196 | H | 46.7 | Very low | 45.7 | Very low | 201 Ų | 201 | 139.5 Ų | 139.5 | 93% | 0.931 | 80% | 0.799 | S | S | * | * | -163.7 | 140.8 | 102.3 | -110.7 | -82 | 0 | 0 | 0 | 111.4 | |||||
| 197 | A | 45.5 | Very low | 45.9 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -88.5 | 163.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 198 | G | 43.5 | Very low | 46 | Very low | 60 Ų | 60 | 129.7 Ų | 129.7 | 62% | 0.619 | 80% | 0.801 | S | S | * | * | trans | 140 | 85.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 199 | E | 46 | Very low | 46.1 | Very low | 185 Ų | 185 | 129.9 Ų | 129.9 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | 57.1 | 120.7 | 93.3 | -68.5 | -174 | 100 | 0 | 0 | 112 | |||||
| 200 | T | 45.2 | Very low | 46.3 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | cis | -165.1 | 149.8 | 39.4 | 31 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 201 | A | 46.5 | Very low | 46.3 | Very low | 92 Ų | 92 | 117.6 Ų | 117.6 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | 23.8 | 143.4 | 147 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 202 | T | 53.3 | Low | 46.4 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | cis | -177.3 | 156.2 | 45.8 | -34.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 203 | P | 52.2 | Low | 46.6 | Very low | 108 Ų | 108 | 119.3 Ų | 119.3 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -114.6 | 162.1 | -171.8 | 39.8 | -28.6 | 0 | 0 | 0 | 115.6 | ||||
| 204 | M | 51.8 | Low | 46.2 | Very low | 189 Ų | 189 | 116.8 Ų | 116.8 | 93% | 0.931 | 81% | 0.814 | S | S | * | * | trans | -173.8 | 156.2 | 159.2 | -77.7 | -52.1 | -150.2 | 0 | 0 | 108.3 | ||||
| 205 | A | 51.6 | Low | 46.4 | Very low | 93 Ų | 93 | 116.4 Ų | 116.4 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | cis | 179.3 | 144.3 | -29.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 206 | G | 45.1 | Very low | 46.7 | Very low | 87 Ų | 87 | 116.6 Ų | 116.6 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | 88.3 | 141 | 159.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 207 | G | 44.6 | Very low | 47.1 | Very low | 81 Ų | 81 | 115.6 Ų | 115.6 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | cis | 168.7 | 150.3 | -0.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 208 | G | 42.9 | Very low | 46.9 | Very low | 77 Ų | 77 | 118 Ų | 118 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 75.9 | 153.1 | 150.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 209 | L | 45.4 | Very low | 46.7 | Very low | 186 Ų | 186 | 121.3 Ų | 121.3 | 97% | 0.974 | 82% | 0.817 | S | S | * | * | cis | 175.4 | 147.4 | -39.8 | -103.7 | 171.8 | 0 | 0 | 0 | 106 | ||||
| 210 | G | 42.4 | Very low | 46.4 | Very low | 82 Ų | 82 | 117.6 Ų | 117.6 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | 110.2 | 133.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 211 | G | 42.4 | Very low | 46.4 | Very low | 70 Ų | 70 | 117.3 Ų | 117.3 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | cis | 175.3 | 150.4 | 0.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 212 | E | 46.1 | Very low | 46.3 | Very low | 200 Ų | 200 | 117.5 Ų | 117.5 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | trans | 52 | 147.4 | 141.7 | -69.3 | -170.4 | 92.8 | 0 | 0 | 121.7 | ||||
| 213 | A | 48.7 | Very low | 45.6 | Very low | 91 Ų | 91 | 115.5 Ų | 115.5 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | cis | -171.4 | 165 | 6.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 214 | G | 43.6 | Very low | 45.2 | Very low | 80 Ų | 80 | 115.5 Ų | 115.5 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | 88.8 | 141.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 215 | S | 45.9 | Very low | 44.9 | Very low | 108 Ų | 108 | 112.5 Ų | 112.5 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | cis | -171.4 | 126.3 | 8.8 | -156.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 216 | S | 51.4 | Low | 44.7 | Very low | 93 Ų | 93 | 113.5 Ų | 113.5 | 65% | 0.65 | 81% | 0.809 | S | S | * | * | 58.5 | 137.4 | 102.7 | 88 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 217 | E | 54.2 | Low | 44.8 | Very low | 180 Ų | 180 | 115 Ų | 115 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | cis | -160.1 | 165.5 | 23.5 | -67 | 175.4 | 105.6 | 0 | 0 | 111.8 | ||||
| 218 | D | 42.7 | Very low | 44.6 | Very low | 153 Ų | 153 | 119.1 Ų | 119.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -52.8 | 157 | 178.4 | -62.5 | -96.3 | 0 | 0 | 0 | 119.6 | ||||
| 219 | C | 37.9 | Very low | 44.7 | Very low | 129 Ų | 129 | 122 Ų | 122 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -162.9 | 101.7 | 141.9 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 220 | S | 39.6 | Very low | 44.4 | Very low | 108 Ų | 108 | 116.5 Ų | 116.5 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -100.9 | 138.1 | 167.1 | -69 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 221 | S | 46.2 | Very low | 44.4 | Very low | 123 Ų | 123 | 117.8 Ų | 117.8 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | 153.8 | 147.6 | 154.1 | -79.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 222 | A | 43.5 | Very low | 44.3 | Very low | 95 Ų | 95 | 122.9 Ų | 122.9 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | cis | -166.7 | 160.9 | -11 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 223 | A | 38.8 | Very low | 43.8 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -63.3 | 153.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 224 | S | 44.2 | Very low | 43.5 | Very low | 107 Ų | 107 | 125 Ų | 125 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | 171.2 | 137.8 | 119 | -85.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 225 | V | 46.7 | Very low | 43.5 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | 75.9 | 91.1 | 145.8 | -59.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 226 | S | 47.4 | Very low | 43 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | 41.3 | 171 | 111.7 | -36.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 227 | P | 45.4 | Very low | 42.1 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | -131.9 | 155.9 | -94.1 | 35.1 | -14.7 | 0 | 0 | 0 | 113.8 | |||||
| 228 | L | 40.3 | Very low | 41.2 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -162.3 | 116.7 | 157.6 | -153.9 | 60.5 | 0 | 0 | 0 | 113.8 | ||||
| 229 | V | 46.1 | Very low | 40.9 | Very low | 138 Ų | 138 | 124.5 Ų | 124.5 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | 44.8 | 128.1 | 141.9 | 89.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 230 | G | 38.7 | Very low | 41 | Very low | 70 Ų | 70 | 124.5 Ų | 124.5 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 148.8 | 79 | 153.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 231 | S | 41.9 | Very low | 41 | Very low | 109 Ų | 109 | 121.9 Ų | 121.9 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 5.7 | 113.8 | 150.2 | -59.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 232 | Q | 40.8 | Very low | 41 | Very low | 178 Ų | 178 | 123.9 Ų | 123.9 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | 164.2 | 107.3 | 115.5 | -89.3 | 164.1 | 88.9 | 0 | 0 | 109.5 | E234 | Q232-E234 PolarHBondContact O-N 3.49Š| |||
| 233 | D | 35.4 | Very low | 41.1 | Very low | 170 Ų | 170 | 124.5 Ų | 124.5 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | -68.5 | 92.8 | 168.6 | -74.4 | -78.8 | 0 | 0 | 0 | 110 | P235 | D233-P235 WeakPolarHBondContact O-CD 3.47Š| ||
| 234 | E | 42.4 | Very low | 42.2 | Very low | 165 Ų | 165 | 123.1 Ų | 123.1 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | trans | -97.1 | 106.2 | 159.5 | -88 | -79.3 | 111 | 0 | 0 | 107.8 | Q232 C236 | Q232-E234 PolarHBondContact O-N 3.49Å; E234-C236 PolarHBondContact O-N 2.96Å; E234-C236 VanDerWaalsContact O-N 3.11Å | ||
| 235 | P | 43.6 | Very low | 43.3 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -69.3 | 111.2 | 171 | 26.1 | -30 | 0 | 0 | 0 | 109.1 | D233 F237 | D233-P235 WeakPolarHBondContact O-CD 3.47Å; P235-F237 PolarHBondContact O-N 2.97Å | ||
| 236 | C | 36.8 | Very low | 43.7 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | -43 | 109.5 | 170.8 | -66.5 | 0 | 0 | 0 | 0 | 111.2 | E234 S238 | E234-C236 PolarHBondContact O-N 2.96Å; E234-C236 VanDerWaalsContact O-N 3.11Å; C236-S238 PolarHBondContact O-N 3.37Å | ||
| 237 | F | 31.3 | Very low | 44.5 | Very low | 207 Ų | 207 | 121.5 Ų | 121.5 | 91% | 0.908 | 71% | 0.709 | S | S | * | * | trans | -70 | 79 | 174.5 | -137.8 | -90.5 | 0 | 0 | 0 | 109.3 | P235 G239 | P235-F237 PolarHBondContact O-N 2.97Å; F237-G239 PolarHBondContact O-N 3.17Å | ||
| 238 | S | 36.6 | Very low | 45.4 | Very low | 115 Ų | 115 | 119.7 Ų | 119.7 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | -74.3 | 70.6 | 166.8 | -65.2 | 0 | 0 | 0 | 0 | 108.9 | C236 D240 | C236-S238 PolarHBondContact O-N 3.37Å; S238-D240 VanDerWaalsContact C-N 3.3Å; S238-D240 PolarHBondContact O-N 3.31Å; S238-D240 VanDerWaalsContact O-N 3.09Å | ||
| 239 | G | 35.6 | Very low | 46.3 | Very low | 56 Ų | 56 | 113.3 Ų | 113.3 | 58% | 0.577 | 66% | 0.66 | S | S | * | * | trans | -81.3 | 65.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F237 | F237-G239 PolarHBondContact O-N 3.17Š| ||
| 240 | D | 39.9 | Very low | 47.4 | Very low | 129 Ų | 129 | 113.7 Ų | 113.7 | 69% | 0.69 | 65% | 0.647 | S | S | * | * | trans | -105.3 | 61.3 | 152.9 | -81.6 | -67.4 | 0 | 0 | 0 | 107.1 | R3 S238 | R3-D240 IonicContact CZ-OD1 3.71Å; R3-D240 IonicContact NH1-OD1 2.68Å; R3-D240 PolarHBondContact NH1-OD1 3.06Å; R3-D240 VanDerWaalsContact NH1-OD1 3.12Å; R3-D240 IonicContact NH2-OD1 3.86Å; R3-D240 PolarHBondContact NH2-OD1 3.04Å; R3-D240 IonicContact NH2-OD2 3.56Å; S238-D240 VanDerWaalsContact C-N 3.3Å; S238-D240 PolarHBondContact O-N 3.31Å; S238-D240 VanDerWaalsContact O-N 3.09Å | ||
| 241 | G | 40 | Very low | 48.8 | Very low | 54 Ų | 54 | 113.4 Ų | 113.4 | 56% | 0.557 | 64% | 0.637 | S | S | * | * | trans | -93.2 | 101.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | C243 | G241-C243 PolarHBondContact O-N 3.41Š| ||
| 242 | D | 45.1 | Very low | 49.7 | Very low | 165 Ų | 165 | 109.6 Ų | 109.6 | 88% | 0.882 | 61% | 0.608 | S | S | * | * | trans | -64.8 | 73.4 | 155.6 | -149.5 | -90.5 | 0 | 0 | 0 | 105.8 | D244 | D242-D244 PolarHBondContact O-N 3.49Š| ||
| 243 | C | 47.2 | Very low | 50.8 | Low | 107 Ų | 107 | 102.9 Ų | 102.9 | 72% | 0.723 | 58% | 0.583 | S | S | * | * | trans | -66.5 | 106 | 175.4 | -61.7 | 0 | 0 | 0 | 0 | 105.2 | G241 W245 | G241-C243 PolarHBondContact O-N 3.41Å; C243-W245 VanDerWaalsContact C-N 3.29Å; C243-W245 PolarHBondContact O-N 2.89Å | ||
| 244 | D | 61.3 | Low | 52.6 | Low | 65 Ų | 65 | 98.1 Ų | 98.1 | 35% | 0.348 | 56% | 0.564 | S | S | . | * | trans | -61.8 | 94.2 | -179.9 | -171.6 | 27.2 | 0 | 0 | 0 | 108 | D242 M246 D247 | D242-D244 PolarHBondContact O-N 3.49Å; D244-M246 PolarHBondContact O-N 3.44Å; D244-M246 WeakPolarHBondContact OD1-CB 3.44Å; D244-D247 WeakPolarHBondContact O-CB 3.4Å; D244-D247 PolarHBondContact O-N 2.68Å | ||
| 245 | W | 67.1 | Low | 53.7 | Low | 132 Ų | 132 | 95.2 Ų | 95.2 | 50% | 0.5 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -54.6 | -16.1 | 176.1 | 67.3 | -77.6 | 0 | 0 | 0 | 111.8 | L92 C243 D247 D248 V249 | L92-W245 HydrophobicContact CD2-CE3 4.21Å; C243-W245 VanDerWaalsContact C-N 3.29Å; C243-W245 PolarHBondContact O-N 2.89Å; W245-D247 VanDerWaalsContact C-N 3.33Å; W245-D248 PolarHBondContact O-N 2.82Å; W245-V249 HydrophobicContact CE3-CG2 3.66Å; W245-V249 HydrophobicContact CZ3-CG2 3.71Å; W245-V249 WeakPolarHBondContact O-CG2 3.49Å; W245-V249 PolarHBondContact O-N 3.02Å |
| 246 | M | 55.2 | Low | 54.6 | Low | 90 Ų | 90 | 92 Ų | 92 | 44% | 0.443 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.3 | -27.9 | 171 | -63 | -178.6 | 172.5 | 0 | 0 | 113.1 | D244 V249 R250 | D244-M246 PolarHBondContact O-N 3.44Å; D244-M246 WeakPolarHBondContact OD1-CB 3.44Å; M246-V249 PolarHBondContact O-N 3.22Å; M246-R250 VanDerWaalsContact O-CB 3.26Å; M246-R250 WeakPolarHBondContact O-CB 3.41Å; M246-R250 PolarHBondContact O-N 2.81Å |
| 247 | D | 63.5 | Low | 55.9 | Low | 91 Ų | 91 | 92.2 Ų | 92.2 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.5 | -41 | 172.3 | -78.7 | -40.5 | 0 | 0 | 0 | 111.6 | D244 W245 V249 R250 A251 | D244-D247 WeakPolarHBondContact O-CB 3.4Å; D244-D247 PolarHBondContact O-N 2.68Å; W245-D247 VanDerWaalsContact C-N 3.33Å; D247-V249 VanDerWaalsContact C-N 3.3Å; D247-V249 PolarHBondContact O-N 3.02Å; D247-R250 PolarHBondContact O-N 3.28Å; D247-R250 IonicContact OD1-NH1 3.4Å; D247-R250 PolarHBondContact OD1-NH1 3.4Å; D247-A251 WeakPolarHBondContact O-CB 3.43Å; D247-A251 PolarHBondContact O-N 3.08Å |
| 248 | D | 65.1 | Low | 57.5 | Low | 81 Ų | 81 | 85.8 Ų | 85.8 | 43% | 0.433 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 170.7 | -76.8 | -30.5 | 0 | 0 | 0 | 110.9 | L92 W245 L252 | L92-D248 HydrophobicContact CD1-CB 4.07Å; L92-D248 HydrophobicContact CD2-CB 4.24Å; W245-D248 PolarHBondContact O-N 2.82Å; D248-L252 WeakPolarHBondContact O-CB 3.45Å; D248-L252 WeakPolarHBondContact O-CD1 3.13Å; D248-L252 VanDerWaalsContact O-CG 3.22Å; D248-L252 WeakPolarHBondContact O-CG 3.39Å; D248-L252 PolarHBondContact O-N 3.24Å |
| 249 | V | 59.2 | Low | 58.6 | Low | 32 Ų | 32 | 82.1 Ų | 82.1 | 19% | 0.194 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 174.8 | 163.5 | 0 | 0 | 0 | 0 | 111.8 | L92 R96 W245 M246 D247 L252 A253 | L92-V249 HydrophobicContact CD2-CG2 3.48Å; L92-V249 VanDerWaalsContact CD2-CG2 3.48Å; R96-V249 PolarHBondContact NH2-O 2.97Å; W245-V249 HydrophobicContact CE3-CG2 3.66Å; W245-V249 HydrophobicContact CZ3-CG2 3.71Å; W245-V249 WeakPolarHBondContact O-CG2 3.49Å; W245-V249 PolarHBondContact O-N 3.02Å; M246-V249 PolarHBondContact O-N 3.22Å; D247-V249 VanDerWaalsContact C-N 3.3Å; D247-V249 PolarHBondContact O-N 3.02Å; V249-L252 PolarHBondContact O-N 3.42Å; V249-A253 WeakPolarHBondContact O-CB 3.38Å; V249-A253 PolarHBondContact O-N 3.2Å |
| 250 | R | 68 | Low | 59.8 | Low | 147 Ų | 147 | 85.5 Ų | 85.5 | 56% | 0.555 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -70.6 | -42.4 | -179 | -171 | 178.8 | -69.7 | 113.5 | -0.1 | 111 | M246 D247 L252 A253 S254 | M246-R250 VanDerWaalsContact O-CB 3.26Å; M246-R250 WeakPolarHBondContact O-CB 3.41Å; M246-R250 PolarHBondContact O-N 2.81Å; D247-R250 PolarHBondContact O-N 3.28Å; D247-R250 IonicContact OD1-NH1 3.4Å; D247-R250 PolarHBondContact OD1-NH1 3.4Å; R250-L252 VanDerWaalsContact C-N 3.31Å; R250-L252 PolarHBondContact O-N 2.92Å; R250-A253 PolarHBondContact O-N 3.02Å; R250-S254 PolarHBondContact O-N 3.1Å |
| 251 | A | 68.4 | Low | 60.7 | Low | 63 Ų | 63 | 83.6 Ų | 83.6 | 52% | 0.521 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D247 F255 | D247-A251 WeakPolarHBondContact O-CB 3.43Å; D247-A251 PolarHBondContact O-N 3.08Å; A251-F255 PolarHBondContact O-N 3.46Å |
| 252 | L | 61.2 | Low | 61.7 | Low | 29 Ų | 29 | 87.8 Ų | 87.8 | 15% | 0.152 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -72 | -35.6 | 177.1 | -74.6 | 164.6 | 0 | 0 | 0 | 114.1 | L86 L92 D248 V249 R250 F255 L256 | L86-L252 HydrophobicContact CD1-CD1 3.81Å; L86-L252 HydrophobicContact CD2-CD1 3.41Å; L86-L252 VanDerWaalsContact CD2-CD1 3.41Å; L86-L252 HydrophobicContact CD2-CD2 3.54Å; L86-L252 HydrophobicContact CD2-CG 4.02Å; L86-L252 HydrophobicContact CG-CD1 4.24Å; L86-L252 HydrophobicContact CG-CD2 4.49Å; L92-L252 HydrophobicContact CD1-CD1 4.25Å; D248-L252 WeakPolarHBondContact O-CB 3.45Å; D248-L252 WeakPolarHBondContact O-CD1 3.13Å; D248-L252 VanDerWaalsContact O-CG 3.22Å; D248-L252 WeakPolarHBondContact O-CG 3.39Å; D248-L252 PolarHBondContact O-N 3.24Å; V249-L252 PolarHBondContact O-N 3.42Å; R250-L252 VanDerWaalsContact C-N 3.31Å; R250-L252 PolarHBondContact O-N 2.92Å; L252-F255 PolarHBondContact O-N 3Å; L252-L256 WeakPolarHBondContact O-CB 3.32Å; L252-L256 WeakPolarHBondContact O-CG 3.31Å; L252-L256 PolarHBondContact O-N 2.9Å |
| 253 | A | 64.7 | Low | 62.1 | Low | 37 Ų | 37 | 83.8 Ų | 83.8 | 31% | 0.306 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V249 R250 F255 L256 E257 | V249-A253 WeakPolarHBondContact O-CB 3.38Å; V249-A253 PolarHBondContact O-N 3.2Å; R250-A253 PolarHBondContact O-N 3.02Å; A253-F255 VanDerWaalsContact C-N 3.31Å; A253-F255 PolarHBondContact O-N 2.87Å; A253-L256 PolarHBondContact O-N 3.08Å; A253-E257 PolarHBondContact O-N 3.4Å |
| 254 | S | 73.1 | Confident | 62.9 | Low | 71 Ų | 71 | 86.5 Ų | 86.5 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.8 | -38.5 | 176 | 176.2 | 0 | 0 | 0 | 0 | 113 | R250 S258 | R250-S254 PolarHBondContact O-N 3.1Å; S254-S258 PolarHBondContact O-N 3.41Å; S254-S258 PolarHBondContact O-OG 2.86Å |
| 255 | F | 64.1 | Low | 62.7 | Low | 104 Ų | 104 | 88 Ų | 88 | 46% | 0.456 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.2 | -40.2 | 176.6 | -176.4 | -99.7 | 0 | 0 | 0 | 112.9 | A251 L252 A253 S258 D259 | A251-F255 PolarHBondContact O-N 3.46Å; L252-F255 PolarHBondContact O-N 3Å; A253-F255 VanDerWaalsContact C-N 3.31Å; A253-F255 PolarHBondContact O-N 2.87Å; F255-S258 WeakPolarHBondContact O-CB 3.34Å; F255-S258 PolarHBondContact O-N 3.17Å; F255-D259 PolarHBondContact O-N 3.15Å |
| 256 | L | 62.7 | Low | 62.2 | Low | 39 Ų | 39 | 86.8 Ų | 86.8 | 20% | 0.204 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -71.2 | -37.5 | 178.4 | -74.9 | 166.6 | 0 | 0 | 0 | 112.3 | L252 A253 S258 D259 E260 | L252-L256 WeakPolarHBondContact O-CB 3.32Å; L252-L256 WeakPolarHBondContact O-CG 3.31Å; L252-L256 PolarHBondContact O-N 2.9Å; A253-L256 PolarHBondContact O-N 3.08Å; L256-S258 PolarHBondContact O-N 3.36Å; L256-D259 PolarHBondContact O-N 3.15Å; L256-E260 PolarHBondContact O-N 2.96Å |
| 257 | E | 64.9 | Low | 62.3 | Low | 123 Ų | 123 | 86.5 Ų | 86.5 | 58% | 0.575 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.4 | -37.5 | 171.4 | -83 | 167 | 156.5 | 0 | 0 | 111.1 | A253 D259 E260 D261 | A253-E257 PolarHBondContact O-N 3.4Å; E257-D259 VanDerWaalsContact C-N 3.3Å; E257-D259 PolarHBondContact O-N 3.48Å; E257-E260 PolarHBondContact O-N 2.82Å; E257-D261 PolarHBondContact O-N 3.26Å; E257-D261 VanDerWaalsContact O-N 3.07Å |
| 258 | S | 65 | Low | 62 | Low | 71 Ų | 71 | 85.5 Ų | 85.5 | 50% | 0.497 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.2 | -31.1 | 174.6 | -55.7 | 0 | 0 | 0 | 0 | 112.9 | S254 F255 L256 W262 | S254-S258 PolarHBondContact O-N 3.41Å; S254-S258 PolarHBondContact O-OG 2.86Å; F255-S258 WeakPolarHBondContact O-CB 3.34Å; F255-S258 PolarHBondContact O-N 3.17Å; L256-S258 PolarHBondContact O-N 3.36Å; S258-W262 WeakPolarHBondContact O-CB 3.23Å; S258-W262 PolarHBondContact O-N 3.44Å; S258-W262 VanDerWaalsContact O-N 3.11Å |
| 259 | D | 58.5 | Low | 61.5 | Low | 39 Ų | 39 | 84.4 Ų | 84.4 | 21% | 0.209 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -81 | -32.9 | 178.9 | -151.5 | -93.6 | 0 | 0 | 0 | 111.8 | R81 F255 L256 E257 W262 L263 | R81-D259 IonicContact CZ-OD1 3.84Å; R81-D259 IonicContact NH2-OD1 2.91Å; R81-D259 PolarHBondContact NH2-OD1 3.3Å; R81-D259 IonicContact NH2-OD2 3.51Å; F255-D259 PolarHBondContact O-N 3.15Å; L256-D259 PolarHBondContact O-N 3.15Å; E257-D259 VanDerWaalsContact C-N 3.3Å; E257-D259 PolarHBondContact O-N 3.48Å; D259-W262 WeakPolarHBondContact O-CB 3.25Å; D259-W262 PolarHBondContact O-N 2.82Å; D259-L263 VanDerWaalsContact O-CD1 3.3Å; D259-L263 WeakPolarHBondContact O-CD1 3.42Å; D259-L263 PolarHBondContact O-N 3.37Å; D259-L263 WeakPolarHBondContact OD1-CD1 3.38Å |
| 260 | E | 60.8 | Low | 61.2 | Low | 126 Ų | 126 | 90.8 Ų | 90.8 | 59% | 0.589 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.9 | -39.2 | 171 | -71.9 | -161.2 | 101 | 0 | 0 | 112.1 | L256 E257 W262 L263 R264 | L256-E260 PolarHBondContact O-N 2.96Å; E257-E260 PolarHBondContact O-N 2.82Å; E260-W262 VanDerWaalsContact C-N 3.3Å; E260-L263 PolarHBondContact O-N 2.99Å; E260-R264 WeakPolarHBondContact O-CB 3.34Å; E260-R264 PolarHBondContact O-N 3.35Å |
| 261 | D | 59.4 | Low | 60.3 | Low | 89 Ų | 89 | 91.8 Ų | 91.8 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -36.4 | 171.6 | -77.6 | -30.3 | 0 | 0 | 0 | 111.4 | E257 R264 C265 | E257-D261 PolarHBondContact O-N 3.26Å; E257-D261 VanDerWaalsContact O-N 3.07Å; D261-R264 PolarHBondContact O-N 3.5Å; D261-R264 IonicContact OD1-NH1 3.63Å; D261-C265 PolarHBondContact O-N 3.45Å; D261-C265 PolarHBondContact O-SG 3.43Å; D261-C265 VanDerWaalsContact O-SG 3.36Å |
| 262 | W | 60.6 | Low | 59 | Low | 143 Ų | 143 | 96 Ų | 96 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 173 | -170.6 | 88.6 | 0 | 0 | 0 | 112.7 | S258 D259 E260 C265 Q266 | S258-W262 WeakPolarHBondContact O-CB 3.23Å; S258-W262 PolarHBondContact O-N 3.44Å; S258-W262 VanDerWaalsContact O-N 3.11Å; D259-W262 WeakPolarHBondContact O-CB 3.25Å; D259-W262 PolarHBondContact O-N 2.82Å; E260-W262 VanDerWaalsContact C-N 3.3Å; W262-C265 PolarHBondContact O-N 3.43Å; W262-Q266 HydrophobicContact CE3-CG 4.4Å; W262-Q266 HydrophobicContact CH2-CG 4.32Å; W262-Q266 HydrophobicContact CZ2-CG 4.46Å; W262-Q266 VanDerWaalsContact CZ2-NE2 3.27Å; W262-Q266 VanDerWaalsContact CZ3-CD 3.47Å; W262-Q266 HydrophobicContact CZ3-CG 4.26Å; W262-Q266 PolarHBondContact O-N 2.86Å |
| 263 | L | 54.1 | Low | 58.9 | Low | 80 Ų | 80 | 99.4 Ų | 99.4 | 42% | 0.419 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.7 | -37.3 | 173.3 | -99.9 | 93.3 | 0 | 0 | 0 | 112.4 | D259 E260 C265 Q266 T267 | D259-L263 VanDerWaalsContact O-CD1 3.3Å; D259-L263 WeakPolarHBondContact O-CD1 3.42Å; D259-L263 PolarHBondContact O-N 3.37Å; D259-L263 WeakPolarHBondContact OD1-CD1 3.38Å; E260-L263 PolarHBondContact O-N 2.99Å; L263-C265 VanDerWaalsContact C-N 3.33Å; L263-Q266 PolarHBondContact O-N 3.08Å; L263-T267 WeakPolarHBondContact O-CG2 3.14Å; L263-T267 PolarHBondContact O-N 3.03Å; L263-T267 PolarHBondContact O-OG1 2.91Å |
| 264 | R | 63.9 | Low | 58.6 | Low | 165 Ų | 165 | 102.6 Ų | 102.6 | 62% | 0.623 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.5 | -40.7 | 171.4 | -84.1 | -173.5 | -176 | 134.2 | 2.6 | 111.6 | E260 D261 Q266 T267 A268 | E260-R264 WeakPolarHBondContact O-CB 3.34Å; E260-R264 PolarHBondContact O-N 3.35Å; D261-R264 PolarHBondContact O-N 3.5Å; D261-R264 IonicContact OD1-NH1 3.63Å; R264-Q266 VanDerWaalsContact C-N 3.34Å; R264-Q266 PolarHBondContact O-N 2.97Å; R264-T267 WeakPolarHBondContact CA-OG1 3.28Å; R264-T267 PolarHBondContact O-N 3.24Å; R264-T267 PolarHBondContact O-OG1 3.41Å; R264-A268 WeakPolarHBondContact O-CB 3.43Å; R264-A268 PolarHBondContact O-N 2.85Å |
| 265 | C | 57.2 | Low | 57.8 | Low | 96 Ų | 96 | 104.4 Ų | 104.4 | 65% | 0.649 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.9 | -35.4 | 175.3 | -75 | 0 | 0 | 0 | 0 | 112.7 | D261 W262 L263 G269 | D261-C265 PolarHBondContact O-N 3.45Å; D261-C265 PolarHBondContact O-SG 3.43Å; D261-C265 VanDerWaalsContact O-SG 3.36Å; W262-C265 PolarHBondContact O-N 3.43Å; L263-C265 VanDerWaalsContact C-N 3.33Å; C265-G269 PolarHBondContact O-N 2.69Å |
| 266 | Q | 56.6 | Low | 57.4 | Low | 107 Ų | 107 | 104.4 Ų | 104.4 | 50% | 0.5 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.9 | -41.6 | 175.1 | -78.5 | -162 | -20.4 | 0 | 0 | 113.1 | W262 L263 R264 G269 | W262-Q266 HydrophobicContact CE3-CG 4.4Å; W262-Q266 HydrophobicContact CH2-CG 4.32Å; W262-Q266 HydrophobicContact CZ2-CG 4.46Å; W262-Q266 VanDerWaalsContact CZ2-NE2 3.27Å; W262-Q266 VanDerWaalsContact CZ3-CD 3.47Å; W262-Q266 HydrophobicContact CZ3-CG 4.26Å; W262-Q266 PolarHBondContact O-N 2.86Å; L263-Q266 PolarHBondContact O-N 3.08Å; R264-Q266 VanDerWaalsContact C-N 3.34Å; R264-Q266 PolarHBondContact O-N 2.97Å; Q266-G269 PolarHBondContact O-N 2.84Å |
| 267 | T | 58.1 | Low | 57.1 | Low | 84 Ų | 84 | 108.5 Ų | 108.5 | 52% | 0.515 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -73.8 | -32.5 | -179.6 | 49 | 0 | 0 | 0 | 0 | 112.6 | L263 R264 G269 Q270 | L263-T267 WeakPolarHBondContact O-CG2 3.14Å; L263-T267 PolarHBondContact O-N 3.03Å; L263-T267 PolarHBondContact O-OG1 2.91Å; R264-T267 WeakPolarHBondContact CA-OG1 3.28Å; R264-T267 PolarHBondContact O-N 3.24Å; R264-T267 PolarHBondContact O-OG1 3.41Å; T267-G269 VanDerWaalsContact C-N 3.28Å; T267-G269 PolarHBondContact O-N 3.33Å; T267-Q270 PolarHBondContact O-N 3.04Å |
| 268 | A | 57.5 | Low | 56.6 | Low | 69 Ų | 69 | 107.5 Ų | 107.5 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.1 | -25.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R264 Q270 | R264-A268 WeakPolarHBondContact O-CB 3.43Å; R264-A268 PolarHBondContact O-N 2.85Å; A268-Q270 VanDerWaalsContact C-N 3.26Å; A268-Q270 PolarHBondContact O-N 3.43Å |
| 269 | G | 53 | Low | 56 | Low | 59 Ų | 59 | 110.1 Ų | 110.1 | 61% | 0.608 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -3.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | C265 Q266 T267 | C265-G269 PolarHBondContact O-N 2.69Å; Q266-G269 PolarHBondContact O-N 2.84Å; T267-G269 VanDerWaalsContact C-N 3.28Å; T267-G269 PolarHBondContact O-N 3.33Å |
| 270 | Q | 53.2 | Low | 55.8 | Low | 165 Ų | 165 | 115.6 Ų | 115.6 | 77% | 0.771 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 1.5 | -178 | -112.6 | 162.9 | -15.8 | 0 | 0 | 113.9 | T267 A268 | T267-Q270 PolarHBondContact O-N 3.04Å; A268-Q270 VanDerWaalsContact C-N 3.26Å; A268-Q270 PolarHBondContact O-N 3.43Å |
| 271 | L | 49.5 | Very low | 55.4 | Low | 168 Ų | 168 | 114.8 Ų | 114.8 | 88% | 0.88 | 65% | 0.651 | S | S | * | * | trans | -122.1 | 14.7 | -178.9 | -88 | 163.8 | 0 | 0 | 0 | 114.1 | ||||
| 272 | A | 41.2 | Very low | 55 | Low | 152 Ų | 152 | 117.1 Ų | 117.1 | 100% | 1.256 | 67% | 0.667 | S | S | * | * | trans | -118.1 | 0 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 272 of 272 residues in 105.1 ms
(Link to these results)