| 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 | 28.1 | Very low | 30.2 | Very low | 237 Ų | 237 | 146.4 Ų | 146.4 | 100% | 1.167 | 76% | 0.763 | S | S | * | * | 0 | 145.8 | 0 | -77.7 | -178.5 | 174.2 | 0 | 0 | 108 | |||||
| 2 | L | 24.6 | Very low | 30.2 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | 64 | 118 | 178.3 | -54.4 | 166.5 | 0 | 0 | 0 | 113.2 | ||||
| 3 | L | 28.2 | Very low | 30 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | cis | 78.4 | 134.7 | 42.3 | -69.1 | 169.8 | 0 | 0 | 0 | 115.6 | ||||
| 4 | G | 25.9 | Very low | 31.1 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 74% | 0.741 | S | S | * | * | trans | 135.1 | 54.8 | -177 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 5 | Q | 29.8 | Very low | 31.3 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | 62 | 108.9 | 65.6 | -115.5 | -164.6 | 7.8 | 0 | 0 | 114.5 | |||||
| 6 | H | 32.6 | Very low | 31.5 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | 73 | 143.5 | 162.5 | -52.6 | -56.4 | 0 | 0 | 0 | 116.7 | ||||
| 7 | T | 30.6 | Very low | 32 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 63% | 0.632 | 73% | 0.732 | S | S | * | * | cis | -148.9 | 153.7 | 48.7 | 47.4 | 0 | 0 | 0 | 0 | 115.8 | K9 | T7-K9 PolarHBondContact O-N 3.29Š| ||
| 8 | S | 37.5 | Very low | 32.2 | Very low | 80 Ų | 80 | 141.9 Ų | 141.9 | 56% | 0.559 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 23.2 | -172.3 | -43.7 | 0 | 0 | 0 | 0 | 116.9 | ||
| 9 | K | 29.5 | Very low | 33 | Very low | 179 Ų | 179 | 137 Ų | 137 | 78% | 0.778 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -31.6 | 174 | -83.1 | -173.7 | 171.6 | -178.2 | 0 | 112.8 | T7 K11 Y12 | T7-K9 PolarHBondContact O-N 3.29Å; K9-K11 PolarHBondContact O-N 3.22Å; K9-Y12 PolarHBondContact O-N 3.48Å |
| 10 | E | 31.1 | Very low | 33.2 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 74% | 0.738 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -56.8 | -38.9 | 171.3 | -66.4 | 168.6 | 156.9 | 0 | 0 | 110.7 | Y12 A13 | E10-Y12 PolarHBondContact O-N 3.33Å; E10-Y12 VanDerWaalsContact O-N 3.1Å; E10-A13 PolarHBondContact O-N 3.41Å; E10-A13 VanDerWaalsContact O-N 3.13Å |
| 11 | K | 34.4 | Very low | 33.3 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -62.1 | -13.4 | 175 | -76.8 | -165.2 | 172 | -170.1 | 0 | 115.6 | K9 L14 | K9-K11 PolarHBondContact O-N 3.22Å; K11-L14 HydrophobicContact CB-CD1 4.44Å; K11-L14 HydrophobicContact CG-CD1 4.4Å |
| 12 | Y | 30 | Very low | 33.9 | Very low | 211 Ų | 211 | 124.5 Ų | 124.5 | 83% | 0.827 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -104 | -9 | 176.4 | -98.8 | -88.9 | 0 | 0 | 0 | 114 | K9 E10 | K9-Y12 PolarHBondContact O-N 3.48Å; E10-Y12 PolarHBondContact O-N 3.33Å; E10-Y12 VanDerWaalsContact O-N 3.1Å |
| 13 | A | 28.5 | Very low | 34.5 | Very low | 73 Ų | 73 | 121 Ų | 121 | 60% | 0.603 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -88.4 | -2.3 | 170 | 0 | 0 | 0 | 0 | 0 | 113.1 | E10 H15 | E10-A13 PolarHBondContact O-N 3.41Å; E10-A13 VanDerWaalsContact O-N 3.13Å; A13-H15 PolarHBondContact O-N 3.27Å; A13-H15 VanDerWaalsContact O-N 3.14Å |
| 14 | L | 44.9 | Very low | 35.4 | Very low | 106 Ų | 106 | 118.4 Ų | 118.4 | 56% | 0.555 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -4.1 | -175.7 | -65.4 | 178.2 | 0 | 0 | 0 | 115.4 | K11 N16 | K11-L14 HydrophobicContact CB-CD1 4.44Å; K11-L14 HydrophobicContact CG-CD1 4.4Å; L14-N16 VanDerWaalsContact C-N 3.34Å; L14-N16 PolarHBondContact O-N 3.2Å |
| 15 | H | 33.4 | Very low | 36 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 77% | 0.769 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -11.3 | -158.7 | -158.7 | 55 | 0 | 0 | 0 | 116 | A13 | A13-H15 PolarHBondContact O-N 3.27Å; A13-H15 VanDerWaalsContact O-N 3.14Å |
| 16 | N | 35 | Very low | 36.7 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -146.7 | 92.4 | 177.1 | -79.3 | -71.6 | 0 | 0 | 0 | 111.9 | L14 | L14-N16 VanDerWaalsContact C-N 3.34Å; L14-N16 PolarHBondContact O-N 3.2Å |
| 17 | Y | 39.9 | Very low | 37.7 | Very low | 159 Ų | 159 | 120.1 Ų | 120.1 | 62% | 0.624 | 61% | 0.608 | S | S | * | * | trans | 57.4 | 50.2 | 161.9 | -52.4 | -85.1 | 0 | 0 | 0 | 117.5 | L19 | Y17-L19 PolarHBondContact O-N 3.24Å; Y17-L19 VanDerWaalsContact O-N 3.16Å | ||
| 18 | N | 36.6 | Very low | 39.3 | Very low | 106 Ų | 106 | 119.9 Ų | 119.9 | 57% | 0.567 | 60% | 0.602 | S | S | * | * | trans | -82.2 | 90.1 | 174.7 | -170.8 | 10.8 | 0 | 0 | 0 | 112.8 | G20 | N18-G20 PolarHBondContact OD1-N 3.31Š| ||
| 19 | L | 47.1 | Very low | 41 | Very low | 48 Ų | 48 | 121.1 Ų | 121.1 | 25% | 0.251 | 59% | 0.594 | S | S | . | * | trans | -92.2 | 1.1 | 172.9 | -80.9 | 162.7 | 0 | 0 | 0 | 114 | Y17 C21 L22 F42 F46 | Y17-L19 PolarHBondContact O-N 3.24Å; Y17-L19 VanDerWaalsContact O-N 3.16Å; L19-C21 PolarHBondContact O-N 3.42Å; L19-L22 HydrophobicContact CD2-CD1 3.69Å; L19-F42 HydrophobicContact CD1-CD1 4.49Å; L19-F42 HydrophobicContact CD1-CD2 3.26Å; L19-F42 HydrophobicContact CD1-CE1 4.45Å; L19-F42 HydrophobicContact CD1-CE2 3.2Å; L19-F42 HydrophobicContact CD1-CG 3.93Å; L19-F42 HydrophobicContact CD1-CZ 3.84Å; L19-F46 HydrophobicContact CB-CZ 4.34Å | ||
| 20 | G | 35.7 | Very low | 43.3 | Very low | 68 Ų | 68 | 113.4 Ų | 113.4 | 70% | 0.701 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 28.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | N18 | N18-G20 PolarHBondContact OD1-N 3.31Š|
| 21 | C | 36.7 | Very low | 45.3 | Very low | 119 Ų | 119 | 110.9 Ų | 110.9 | 80% | 0.804 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.1 | 13.8 | 179.8 | -162.3 | 0 | 0 | 0 | 0 | 112.9 | L19 | L19-C21 PolarHBondContact O-N 3.42Š|
| 22 | L | 39.3 | Very low | 47.1 | Very low | 61 Ų | 61 | 104.1 Ų | 104.1 | 32% | 0.319 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -94 | 129.9 | 173.3 | -69.2 | -176.5 | 0 | 0 | 0 | 109.3 | L19 H24 H27 F46 | L19-L22 HydrophobicContact CD2-CD1 3.69Å; L22-H24 PolarHBondContact O-N 2.85Å; L22-H27 WeakPolarHBondContact CB-NE2 3.48Å; L22-F46 HydrophobicContact CB-CE1 3.84Å; L22-F46 HydrophobicContact CB-CZ 4.27Å; L22-F46 HydrophobicContact CD1-CE1 3.71Å; L22-F46 HydrophobicContact CD1-CZ 3.93Å; L22-F46 HydrophobicContact CG-CE1 4.42Å |
| 23 | D | 38.8 | Very low | 49.3 | Very low | 90 Ų | 90 | 96.5 Ų | 96.5 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | trans | -69.9 | 116.4 | 179.3 | -167.2 | -36.6 | 0 | 0 | 0 | 109.8 | R25 E26 H27 | D23-R25 PolarHBondContact O-N 2.97Å; D23-R25 WeakPolarHBondContact OD1-CB 3.44Å; D23-R25 WeakPolarHBondContact OD1-CG 2.77Å; D23-R25 PolarHBondContact OD1-N 2.99Å; D23-R25 VanDerWaalsContact OD1-N 3.09Å; D23-E26 PolarHBondContact O-N 3.39Å; D23-H27 PolarHBondContact O-CD2 3.3Å | ||
| 24 | H | 46.1 | Very low | 51.1 | Low | 94 Ų | 94 | 99.2 Ų | 99.2 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -2 | -177.2 | -54.5 | -90.8 | 0 | 0 | 0 | 114.9 | L22 D45 S48 | L22-H24 PolarHBondContact O-N 2.85Å; H24-D45 PolarHBondContact ND1-O 2.65Å; H24-S48 PolarHBondContact O-OG 2.88Å |
| 25 | R | 39.7 | Very low | 52.4 | Low | 216 Ų | 216 | 99.4 Ų | 99.4 | 82% | 0.815 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -22 | -178 | -61.8 | 177.7 | 178.4 | -162.8 | -0.4 | 114.8 | D23 | D23-R25 PolarHBondContact O-N 2.97Å; D23-R25 WeakPolarHBondContact OD1-CB 3.44Å; D23-R25 WeakPolarHBondContact OD1-CG 2.77Å; D23-R25 PolarHBondContact OD1-N 2.99Å; D23-R25 VanDerWaalsContact OD1-N 3.09Å |
| 26 | E | 43.5 | Very low | 54.2 | Low | 156 Ų | 156 | 97.1 Ų | 97.1 | 73% | 0.729 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -20.6 | -171 | -60.2 | -161.1 | 144 | 0 | 0 | 114.1 | D23 I28 | D23-E26 PolarHBondContact O-N 3.39Å; E26-I28 PolarHBondContact O-N 3.17Å |
| 27 | H | 52.9 | Low | 56.1 | Low | 47 Ų | 47 | 91.7 Ų | 91.7 | 22% | 0.218 | 45% | 0.451 | C | S | . | . | trans | -77.3 | 88.1 | -176.3 | -66.7 | -67.8 | 0 | 0 | 0 | 112.3 | L22 D23 F46 S48 L49 | L22-H27 WeakPolarHBondContact CB-NE2 3.48Å; D23-H27 PolarHBondContact O-CD2 3.3Å; H27-F46 HydrophobicContact CB-CD1 4.26Å; H27-S48 CarbonylContact O-C 3.34Å; H27-S48 WeakPolarHBondContact O-CB 3.47Å; H27-S48 PolarHBondContact O-OG 3.36Å; H27-L49 HydrophobicContact CB-CD2 4.17Å; H27-L49 WeakPolarHBondContact O-CA 3.43Å; H27-L49 WeakPolarHBondContact O-CD2 3.49Å; H27-L49 PolarHBondContact O-N 3.38Å | ||
| 28 | I | 65.8 | Low | 57.8 | Low | 98 Ų | 98 | 88 Ų | 88 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -77 | -33.3 | 166.8 | -62.6 | 177.1 | 0 | 0 | 0 | 110.6 | E26 T50 R51 | E26-I28 PolarHBondContact O-N 3.17Å; I28-T50 HydrophobicContact CG2-CG2 4.14Å; I28-T50 WeakPolarHBondContact CG2-OG1 3.49Å; I28-T50 PolarHBondContact O-N 3.21Å; I28-T50 PolarHBondContact O-OG1 3.48Å; I28-R51 PolarHBondContact O-N 2.95Å |
| 29 | R | 72.9 | Confident | 59.5 | Low | 106 Ų | 106 | 88.4 Ų | 88.4 | 40% | 0.4 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143.3 | 178.2 | -50.8 | -171.6 | -176.9 | -178.3 | -0 | 110.2 | R51 | R29-R51 WeakPolarHBondContact CA-O 3.22Å; R29-R51 HydrophobicContact CB-CB 4.3Å; R29-R51 HydrophobicContact CG-CB 4Å; R29-R51 HydrophobicContact CG-CG 4.16Å |
| 30 | L | 76.1 | Confident | 60.9 | Low | 17 Ų | 17 | 86.1 Ų | 86.1 | 9% | 0.089 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 126.3 | 175 | 175.3 | 58.3 | 0 | 0 | 0 | 110 | L32 I43 F46 L49 R51 L52 D53 | L30-L32 HydrophobicContact CD1-CD1 4.27Å; L30-L32 HydrophobicContact CD1-CD2 4.27Å; L30-L32 HydrophobicContact CD1-CG 4.01Å; L30-L32 HydrophobicContact CD2-CD1 3.79Å; L30-L32 HydrophobicContact CD2-CG 4.41Å; L30-L32 HydrophobicContact CG-CD1 3.84Å; L30-L32 HydrophobicContact CG-CG 3.93Å; L30-I43 HydrophobicContact CD2-CG2 4.44Å; L30-F46 HydrophobicContact CD2-CD1 4.44Å; L30-F46 HydrophobicContact CD2-CG 4.34Å; L30-L49 HydrophobicContact CB-CD1 4.1Å; L30-L49 HydrophobicContact CB-CD2 3.44Å; L30-L49 VanDerWaalsContact CB-CD2 3.44Å; L30-L49 HydrophobicContact CB-CG 4.45Å; L30-L49 HydrophobicContact CD2-CD1 3.95Å; L30-R51 PolarHBondContact N-O 3.18Å; L30-R51 VanDerWaalsContact N-O 3.08Å; L30-L52 HydrophobicContact CB-CD1 4.1Å; L30-L52 HydrophobicContact CD2-CD1 4.09Å; L30-L52 HydrophobicContact CG-CD1 4.06Å; L30-D53 PolarHBondContact O-N 3.26Å |
| 31 | H | 73.4 | Confident | 62.5 | Low | 105 Ų | 105 | 86.7 Ų | 86.7 | 49% | 0.486 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 110.7 | -175.7 | -66.8 | -93.2 | 0 | 0 | 0 | 109.2 | E33 | H31-E33 WeakPolarHBondContact CB-OE1 3.41Å; H31-E33 IonicContact CE1-OE1 3.21Å; H31-E33 IonicContact CG-OE1 2.58Å; H31-E33 IonicContact ND1-OE1 2.81Å; H31-E33 PolarHBondContact ND1-OE1 3.46Å |
| 32 | L | 73.4 | Confident | 64.2 | Low | 16 Ų | 16 | 83.5 Ų | 83.5 | 8% | 0.084 | 39% | 0.389 | C | S | . | . | trans | -124 | 33.2 | -175.5 | -69.9 | 169.4 | 0 | 0 | 0 | 111.3 | L30 K35 M37 F42 I43 L52 D53 L54 N57 | L30-L32 HydrophobicContact CD1-CD1 4.27Å; L30-L32 HydrophobicContact CD1-CD2 4.27Å; L30-L32 HydrophobicContact CD1-CG 4.01Å; L30-L32 HydrophobicContact CD2-CD1 3.79Å; L30-L32 HydrophobicContact CD2-CG 4.41Å; L30-L32 HydrophobicContact CG-CD1 3.84Å; L30-L32 HydrophobicContact CG-CG 3.93Å; L32-K35 VanDerWaalsContact O-CG 3.31Å; L32-K35 WeakPolarHBondContact O-CG 3.47Å; L32-M37 HydrophobicContact CB-SD 3.97Å; L32-M37 HydrophobicContact CD1-CE 4.36Å; L32-M37 HydrophobicContact CD1-SD 4.36Å; L32-F42 HydrophobicContact CD1-CE2 3.72Å; L32-F42 HydrophobicContact CD1-CZ 4.08Å; L32-I43 HydrophobicContact CD1-CD1 4.07Å; L32-I43 HydrophobicContact CD1-CG1 4.43Å; L32-L52 HydrophobicContact CD1-CD1 4.4Å; L32-D53 PolarHBondContact N-O 3.44Å; L32-L54 HydrophobicContact CB-CD2 3.7Å; L32-L54 HydrophobicContact CD1-CD2 3.89Å; L32-L54 HydrophobicContact CG-CD2 4.47Å; L32-N57 PolarHBondContact O-ND2 2.97Å | ||
| 33 | E | 74.8 | Confident | 66 | Low | 52 Ų | 52 | 80.6 Ų | 80.6 | 24% | 0.243 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 143.3 | -176.1 | -56.9 | 149.6 | -154.6 | 0 | 0 | 111.3 | H31 K35 D53 N55 | H31-E33 WeakPolarHBondContact CB-OE1 3.41Å; H31-E33 IonicContact CE1-OE1 3.21Å; H31-E33 IonicContact CG-OE1 2.58Å; H31-E33 IonicContact ND1-OE1 2.81Å; H31-E33 PolarHBondContact ND1-OE1 3.46Å; E33-K35 WeakPolarHBondContact O-CD 3.45Å; E33-K35 WeakPolarHBondContact O-CE 3.47Å; E33-K35 WeakPolarHBondContact O-CG 3.46Å; E33-K35 PolarHBondContact O-N 3.1Å; E33-K35 PolarHBondContact O-NZ 3.47Å; E33-D53 HydrophobicContact CG-CB 3.94Å; E33-D53 WeakPolarHBondContact OE1-CB 3.49Å; E33-N55 WeakPolarHBondContact CA-O 3.24Å |
| 34 | F | 68.1 | Low | 67.9 | Low | 130 Ų | 130 | 78.7 Ų | 78.7 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 26 | 176 | -54.8 | -87.9 | 0 | 0 | 0 | 115.3 | N55 N56 | F34-N55 PolarHBondContact N-O 3.25Å; F34-N56 VanDerWaalsContact CA-O 3.3Å; F34-N56 WeakPolarHBondContact CA-O 3.22Å; F34-N56 HydrophobicContact CD1-CB 3.41Å; F34-N56 VanDerWaalsContact CD1-CB 3.41Å; F34-N56 HydrophobicContact CD2-CB 4.26Å; F34-N56 HydrophobicContact CE1-CB 3.33Å; F34-N56 HydrophobicContact CE2-CB 4.17Å; F34-N56 HydrophobicContact CG-CB 3.89Å; F34-N56 HydrophobicContact CZ-CB 3.73Å; F34-N56 WeakPolarHBondContact CZ-ND2 3.46Å; F34-N56 PolarHBondContact N-O 3.46Å |
| 35 | K | 71.7 | Confident | 69.4 | Low | 110 Ų | 110 | 78 Ų | 78 | 48% | 0.478 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -93.2 | 5.1 | -175.8 | -56.1 | -55.6 | 179.3 | -102.8 | 0 | 114.6 | L32 E33 M37 N57 | L32-K35 VanDerWaalsContact O-CG 3.31Å; L32-K35 WeakPolarHBondContact O-CG 3.47Å; E33-K35 WeakPolarHBondContact O-CD 3.45Å; E33-K35 WeakPolarHBondContact O-CE 3.47Å; E33-K35 WeakPolarHBondContact O-CG 3.46Å; E33-K35 PolarHBondContact O-N 3.1Å; E33-K35 PolarHBondContact O-NZ 3.47Å; K35-M37 HydrophobicContact CB-CG 3.93Å; K35-M37 HydrophobicContact CB-SD 4.06Å; K35-M37 PolarHBondContact O-N 2.98Å; K35-N57 WeakPolarHBondContact CA-OD1 3.23Å; K35-N57 PolarHBondContact N-OD1 2.73Å; K35-N57 VanDerWaalsContact N-OD1 3.12Å |
| 36 | N | 71.3 | Confident | 71.2 | Confident | 118 Ų | 118 | 67.9 Ų | 67.9 | 63% | 0.631 | 32% | 0.324 | S | S | * | . | trans | 51.9 | 33.1 | -175 | -72.2 | -66.3 | 0 | 0 | 0 | 113.9 | N57 V58 | N36-N57 PolarHBondContact N-OD1 3.12Å; N36-V58 WeakPolarHBondContact O-CG2 3.32Å | ||
| 37 | M | 74.7 | Confident | 73 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 4% | 0.044 | 31% | 0.308 | C | S | . | . | trans | -70.2 | 134.4 | -179 | -71.7 | 169.3 | 49.7 | 0 | 0 | 112.1 | L32 K35 K39 F42 I43 L54 N57 V58 I59 | L32-M37 HydrophobicContact CB-SD 3.97Å; L32-M37 HydrophobicContact CD1-CE 4.36Å; L32-M37 HydrophobicContact CD1-SD 4.36Å; K35-M37 HydrophobicContact CB-CG 3.93Å; K35-M37 HydrophobicContact CB-SD 4.06Å; K35-M37 PolarHBondContact O-N 2.98Å; M37-K39 WeakPolarHBondContact CE-O 3.34Å; M37-F42 HydrophobicContact CE-CE1 3.8Å; M37-F42 HydrophobicContact CE-CE2 4.31Å; M37-F42 HydrophobicContact CE-CZ 3.34Å; M37-F42 HydrophobicContact SD-CE1 4.41Å; M37-F42 HydrophobicContact SD-CZ 3.81Å; M37-I43 HydrophobicContact CE-CD1 4.3Å; M37-L54 HydrophobicContact CE-CD2 3.41Å; M37-L54 VanDerWaalsContact CE-CD2 3.41Å; M37-L54 HydrophobicContact SD-CD2 4.03Å; M37-N57 HydrophobicContact CB-CB 4.32Å; M37-N57 PolarHBondContact N-OD1 3.36Å; M37-V58 CarbonylContact O-C 3.52Å; M37-V58 WeakPolarHBondContact O-CA 3.27Å; M37-V58 VanDerWaalsContact O-CG2 3.29Å; M37-V58 WeakPolarHBondContact O-CG2 3.36Å; M37-V58 PolarHBondContact O-N 3.04Å; M37-I59 WeakPolarHBondContact O-CG1 3.35Å; M37-I59 PolarHBondContact O-N 3.38Å; M37-I59 VanDerWaalsContact O-N 3.15Å | ||
| 38 | V | 75.4 | Confident | 74.1 | Confident | 82 Ų | 82 | 62.5 Ų | 62.5 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -98.7 | -22.5 | 172 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | V58 | V38-V58 HydrophobicContact CG2-CG2 3.67Š|
| 39 | K | 73.1 | Confident | 74.8 | Confident | 115 Ų | 115 | 57.9 Ų | 57.9 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | trans | -139.5 | 161.8 | -169.6 | -62.1 | -166 | 175.9 | -170.7 | 0 | 112.2 | M37 D41 W63 | M37-K39 WeakPolarHBondContact CE-O 3.34Å; K39-D41 WeakPolarHBondContact CB-OD2 3.37Å; K39-D41 WeakPolarHBondContact CD-OD2 3.47Å; K39-D41 IonicContact NZ-OD2 2.66Å; K39-W63 HydrophobicContact CB-CH2 4.39Å; K39-W63 HydrophobicContact CB-CZ2 3.77Å; K39-W63 HydrophobicContact CD-CH2 4.06Å; K39-W63 HydrophobicContact CD-CZ2 3.8Å; K39-W63 HydrophobicContact CG-CZ2 3.84Å | ||
| 40 | M | 75.1 | Confident | 75.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -119.3 | 13.9 | -180 | -59.3 | -169.5 | -147.8 | 0 | 0 | 113.9 | F42 I43 L54 I59 I62 W63 L65 L76 | M40-F42 PolarHBondContact O-N 3.32Å; M40-I43 HydrophobicContact CB-CD1 3.86Å; M40-I43 HydrophobicContact CB-CG1 4.28Å; M40-I43 HydrophobicContact CG-CD1 4.03Å; M40-I43 WeakPolarHBondContact O-CG1 3.25Å; M40-I43 PolarHBondContact O-N 3.01Å; M40-I43 HydrophobicContact SD-CD1 4.36Å; M40-L54 HydrophobicContact CE-CD1 4.18Å; M40-L54 HydrophobicContact CG-CD1 4.36Å; M40-L54 HydrophobicContact SD-CD1 3.68Å; M40-I59 HydrophobicContact CE-CD1 4.07Å; M40-I59 HydrophobicContact CE-CG2 3.57Å; M40-I62 HydrophobicContact CE-CG2 4.47Å; M40-W63 VanDerWaalsContact CB-O 3.31Å; M40-W63 WeakPolarHBondContact CB-O 3.45Å; M40-L65 HydrophobicContact SD-CD1 4.49Å; M40-L65 HydrophobicContact SD-CD2 3.8Å; M40-L65 HydrophobicContact SD-CG 4.21Å; M40-L76 HydrophobicContact CE-CD2 3.51Å | ||
| 41 | D | 69.1 | Low | 75.2 | Confident | 79 Ų | 79 | 57.3 Ų | 57.3 | 42% | 0.422 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -41 | -45.7 | -173.8 | -67.6 | -97 | 0 | 0 | 0 | 113.9 | K39 I43 H44 W63 | K39-D41 WeakPolarHBondContact CB-OD2 3.37Å; K39-D41 WeakPolarHBondContact CD-OD2 3.47Å; K39-D41 IonicContact NZ-OD2 2.66Å; D41-I43 PolarHBondContact O-N 3.49Å; D41-H44 PolarHBondContact O-CD2 3.36Å; D41-H44 VanDerWaalsContact O-CD2 3.25Å; D41-W63 HydrophobicContact CB-CH2 4.33Å; D41-W63 HydrophobicContact CB-CZ3 4.4Å; D41-W63 WeakPolarHBondContact OD1-CH2 3.48Å; D41-W63 WeakPolarHBondContact OD1-CZ3 3.18Å; D41-W63 VanDerWaalsContact OD2-CH2 3.24Å; D41-W63 WeakPolarHBondContact OD2-CH2 3.36Å |
| 42 | F | 73.3 | Confident | 75.8 | Confident | 52 Ų | 52 | 52.3 Ų | 52.3 | 23% | 0.228 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -79.1 | -11.6 | -170.9 | 61 | -103.2 | 0 | 0 | 0 | 114.6 | L19 L32 M37 M40 H44 F46 | L19-F42 HydrophobicContact CD1-CD1 4.49Å; L19-F42 HydrophobicContact CD1-CD2 3.26Å; L19-F42 HydrophobicContact CD1-CE1 4.45Å; L19-F42 HydrophobicContact CD1-CE2 3.2Å; L19-F42 HydrophobicContact CD1-CG 3.93Å; L19-F42 HydrophobicContact CD1-CZ 3.84Å; L32-F42 HydrophobicContact CD1-CE2 3.72Å; L32-F42 HydrophobicContact CD1-CZ 4.08Å; M37-F42 HydrophobicContact CE-CE1 3.8Å; M37-F42 HydrophobicContact CE-CE2 4.31Å; M37-F42 HydrophobicContact CE-CZ 3.34Å; M37-F42 HydrophobicContact SD-CE1 4.41Å; M37-F42 HydrophobicContact SD-CZ 3.81Å; M40-F42 PolarHBondContact O-N 3.32Å; F42-H44 VanDerWaalsContact C-N 3.3Å; F42-F46 WeakPolarHBondContact O-CE2 3.31Å |
| 43 | I | 77.5 | Confident | 76.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -78.6 | -20.4 | -174.5 | -46 | -179.8 | 0 | 0 | 0 | 111 | L30 L32 M37 M40 D41 D45 F46 L49 L52 L54 L68 | L30-I43 HydrophobicContact CD2-CG2 4.44Å; L32-I43 HydrophobicContact CD1-CD1 4.07Å; L32-I43 HydrophobicContact CD1-CG1 4.43Å; M37-I43 HydrophobicContact CE-CD1 4.3Å; M40-I43 HydrophobicContact CB-CD1 3.86Å; M40-I43 HydrophobicContact CB-CG1 4.28Å; M40-I43 HydrophobicContact CG-CD1 4.03Å; M40-I43 WeakPolarHBondContact O-CG1 3.25Å; M40-I43 PolarHBondContact O-N 3.01Å; M40-I43 HydrophobicContact SD-CD1 4.36Å; D41-I43 PolarHBondContact O-N 3.49Å; I43-D45 PolarHBondContact O-N 3.06Å; I43-F46 PolarHBondContact O-N 3.06Å; I43-L49 HydrophobicContact CG2-CD1 4.18Å; I43-L52 HydrophobicContact CD1-CD2 4.4Å; I43-L52 HydrophobicContact CG2-CD1 4.39Å; I43-L52 HydrophobicContact CG2-CD2 3.96Å; I43-L54 HydrophobicContact CD1-CD1 3.8Å; I43-L54 HydrophobicContact CD1-CD2 3.86Å; I43-L54 HydrophobicContact CD1-CG 4.35Å; I43-L68 HydrophobicContact CG2-CD1 3.87Å |
| 44 | H | 78.6 | Confident | 76.4 | Confident | 50 Ų | 50 | 49.6 Ų | 49.6 | 23% | 0.231 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -48.9 | -29.9 | 179.4 | -82 | -56.2 | 0 | 0 | 0 | 115.2 | D41 F42 G64 D66 R67 | D41-H44 PolarHBondContact O-CD2 3.36Å; D41-H44 VanDerWaalsContact O-CD2 3.25Å; F42-H44 VanDerWaalsContact C-N 3.3Å; H44-G64 WeakPolarHBondContact CA-O 3.41Å; H44-G64 WeakPolarHBondContact CE1-CA 3.29Å; H44-G64 PolarHBondContact N-O 2.67Å; H44-G64 PolarHBondContact ND1-O 3.4Å; H44-D66 IonicContact CE1-OD2 3.14Å; H44-D66 PolarHBondContact CE1-OD2 3.2Å; H44-R67 WeakPolarHBondContact O-CB 3.24Å; H44-R67 WeakPolarHBondContact O-CD 3.41Å |
| 45 | D | 76.4 | Confident | 76.9 | Confident | 79 Ų | 79 | 44.2 Ų | 44.2 | 42% | 0.422 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -93.2 | 1.2 | -174.7 | -62.7 | -36.5 | 0 | 0 | 0 | 114.1 | H24 I43 T47 R67 | H24-D45 PolarHBondContact ND1-O 2.65Å; I43-D45 PolarHBondContact O-N 3.06Å; D45-T47 PolarHBondContact O-N 2.88Å; D45-R67 IonicContact OD1-NH1 3.27Å; D45-R67 PolarHBondContact OD1-NH1 3.12Å |
| 46 | F | 78.8 | Confident | 77.1 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 2% | 0.022 | 22% | 0.216 | C | C | . | . | trans | -94.3 | 51.7 | 179.3 | -67.3 | -91.9 | 0 | 0 | 0 | 112.4 | L19 L22 H27 L30 F42 I43 S48 L49 L68 | L19-F46 HydrophobicContact CB-CZ 4.34Å; L22-F46 HydrophobicContact CB-CE1 3.84Å; L22-F46 HydrophobicContact CB-CZ 4.27Å; L22-F46 HydrophobicContact CD1-CE1 3.71Å; L22-F46 HydrophobicContact CD1-CZ 3.93Å; L22-F46 HydrophobicContact CG-CE1 4.42Å; H27-F46 HydrophobicContact CB-CD1 4.26Å; L30-F46 HydrophobicContact CD2-CD1 4.44Å; L30-F46 HydrophobicContact CD2-CG 4.34Å; F42-F46 WeakPolarHBondContact O-CE2 3.31Å; I43-F46 PolarHBondContact O-N 3.06Å; F46-S48 PolarHBondContact O-N 2.99Å; F46-L49 HydrophobicContact CB-CD1 3.49Å; F46-L49 VanDerWaalsContact CB-CD1 3.49Å; F46-L49 HydrophobicContact CB-CG 3.87Å; F46-L49 HydrophobicContact CG-CD1 4.41Å; F46-L49 VanDerWaalsContact O-CG 3.31Å; F46-L49 WeakPolarHBondContact O-CG 3.44Å; F46-L49 PolarHBondContact O-N 2.89Å; F46-L49 VanDerWaalsContact O-N 3.09Å; F46-L68 HydrophobicContact CB-CD2 4.5Å; F46-L68 VanDerWaalsContact O-CD2 3.24Å; F46-L68 WeakPolarHBondContact O-CD2 3.46Å | ||
| 47 | T | 80.9 | Confident | 77.4 | Confident | 64 Ų | 64 | 36.3 Ų | 36.3 | 39% | 0.393 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -11.3 | -169.2 | 61.1 | 0 | 0 | 0 | 0 | 115.4 | D45 R67 N70 | D45-T47 PolarHBondContact O-N 2.88Å; T47-R67 HydrophobicContact CG2-CB 3.94Å; T47-N70 PolarHBondContact O-ND2 2.77Å |
| 48 | S | 74.9 | Confident | 77.9 | Confident | 26 Ų | 26 | 37.5 Ų | 37.5 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -14.8 | 174.9 | 54.9 | 0 | 0 | 0 | 0 | 114.7 | H24 H27 F46 T50 | H24-S48 PolarHBondContact O-OG 2.88Å; H27-S48 CarbonylContact O-C 3.34Å; H27-S48 WeakPolarHBondContact O-CB 3.47Å; H27-S48 PolarHBondContact O-OG 3.36Å; F46-S48 PolarHBondContact O-N 2.99Å; S48-T50 PolarHBondContact O-N 3.31Å |
| 49 | L | 80.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -61.6 | 132.3 | -170.9 | -71.8 | 170.1 | 0 | 0 | 0 | 113.4 | H27 L30 I43 F46 L52 L68 N70 L71 | H27-L49 HydrophobicContact CB-CD2 4.17Å; H27-L49 WeakPolarHBondContact O-CA 3.43Å; H27-L49 WeakPolarHBondContact O-CD2 3.49Å; H27-L49 PolarHBondContact O-N 3.38Å; L30-L49 HydrophobicContact CB-CD1 4.1Å; L30-L49 HydrophobicContact CB-CD2 3.44Å; L30-L49 VanDerWaalsContact CB-CD2 3.44Å; L30-L49 HydrophobicContact CB-CG 4.45Å; L30-L49 HydrophobicContact CD2-CD1 3.95Å; I43-L49 HydrophobicContact CG2-CD1 4.18Å; F46-L49 HydrophobicContact CB-CD1 3.49Å; F46-L49 VanDerWaalsContact CB-CD1 3.49Å; F46-L49 HydrophobicContact CB-CG 3.87Å; F46-L49 HydrophobicContact CG-CD1 4.41Å; F46-L49 VanDerWaalsContact O-CG 3.31Å; F46-L49 WeakPolarHBondContact O-CG 3.44Å; F46-L49 PolarHBondContact O-N 2.89Å; F46-L49 VanDerWaalsContact O-N 3.09Å; L49-L52 HydrophobicContact CD1-CD1 4.45Å; L49-L68 HydrophobicContact CD1-CD1 4.37Å; L49-L68 HydrophobicContact CD1-CD2 4.26Å; L49-N70 CarbonylContact O-C 3.19Å; L49-N70 VanDerWaalsContact O-CB 3.31Å; L49-N70 WeakPolarHBondContact O-CB 3.16Å; L49-L71 HydrophobicContact CB-CD1 3.94Å; L49-L71 WeakPolarHBondContact O-CA 3.41Å; L49-L71 PolarHBondContact O-N 3.12Å; L49-L71 VanDerWaalsContact O-N 3.17Å | ||
| 50 | T | 79.4 | Confident | 79.3 | Confident | 41 Ų | 41 | 33.1 Ų | 33.1 | 25% | 0.252 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -108.2 | -30 | 165.9 | 72.8 | 0 | 0 | 0 | 0 | 112.1 | I28 S48 N70 T72 W73 | I28-T50 HydrophobicContact CG2-CG2 4.14Å; I28-T50 WeakPolarHBondContact CG2-OG1 3.49Å; I28-T50 PolarHBondContact O-N 3.21Å; I28-T50 PolarHBondContact O-OG1 3.48Å; S48-T50 PolarHBondContact O-N 3.31Å; T50-N70 WeakPolarHBondContact CA-O 3.13Å; T50-N70 HydrophobicContact CG2-CB 4.5Å; T50-T72 PolarHBondContact O-N 3.15Å; T50-T72 PolarHBondContact O-OG1 3.45Å; T50-W73 PolarHBondContact O-N 3.14Å |
| 51 | R | 79.3 | Confident | 79.9 | Confident | 71 Ų | 71 | 39.8 Ų | 39.8 | 27% | 0.268 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 135.7 | 170.1 | -49.6 | -153.6 | 174.8 | 168.3 | 0.5 | 112.1 | I28 R29 L30 W73 | I28-R51 PolarHBondContact O-N 2.95Å; R29-R51 WeakPolarHBondContact CA-O 3.22Å; R29-R51 HydrophobicContact CB-CB 4.3Å; R29-R51 HydrophobicContact CG-CB 4Å; R29-R51 HydrophobicContact CG-CG 4.16Å; L30-R51 PolarHBondContact N-O 3.18Å; L30-R51 VanDerWaalsContact N-O 3.08Å; R51-W73 WeakPolarHBondContact CA-O 3.46Å; R51-W73 HydrophobicContact CB-CB 4.09Å; R51-W73 HydrophobicContact CB-CD2 4.38Å; R51-W73 HydrophobicContact CB-CE3 3.98Å; R51-W73 HydrophobicContact CB-CG 4.49Å; R51-W73 HydrophobicContact CG-CB 3.73Å; R51-W73 HydrophobicContact CG-CG 4.22Å |
| 52 | L | 84.9 | Confident | 81 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 117.7 | 174.5 | 175.5 | 58.4 | 0 | 0 | 0 | 109.4 | L30 L32 I43 L49 L54 L65 L68 L71 W73 L74 N75 | L30-L52 HydrophobicContact CB-CD1 4.1Å; L30-L52 HydrophobicContact CD2-CD1 4.09Å; L30-L52 HydrophobicContact CG-CD1 4.06Å; L32-L52 HydrophobicContact CD1-CD1 4.4Å; I43-L52 HydrophobicContact CD1-CD2 4.4Å; I43-L52 HydrophobicContact CG2-CD1 4.39Å; I43-L52 HydrophobicContact CG2-CD2 3.96Å; L49-L52 HydrophobicContact CD1-CD1 4.45Å; L52-L54 HydrophobicContact CD1-CD1 4.15Å; L52-L54 HydrophobicContact CD1-CG 4.02Å; L52-L54 HydrophobicContact CD2-CD1 3.75Å; L52-L54 HydrophobicContact CD2-CG 4.49Å; L52-L54 HydrophobicContact CG-CD1 3.84Å; L52-L54 HydrophobicContact CG-CG 4.07Å; L52-L65 HydrophobicContact CD2-CD2 3.74Å; L52-L68 HydrophobicContact CD2-CD1 3.89Å; L52-L71 HydrophobicContact CB-CD1 3.73Å; L52-L71 HydrophobicContact CB-CD2 4.31Å; L52-W73 PolarHBondContact N-O 2.93Å; L52-L74 HydrophobicContact CB-CD1 4.14Å; L52-L74 HydrophobicContact CD2-CD1 4.02Å; L52-L74 HydrophobicContact CG-CD1 4.08Å; L52-N75 PolarHBondContact O-N 2.93Å |
| 53 | D | 79.4 | Confident | 81.6 | Confident | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.053 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126 | 168.8 | -153.4 | -36.9 | 0 | 0 | 0 | 110.8 | L30 L32 E33 N55 W73 N75 | L30-D53 PolarHBondContact O-N 3.26Å; L32-D53 PolarHBondContact N-O 3.44Å; E33-D53 HydrophobicContact CG-CB 3.94Å; E33-D53 WeakPolarHBondContact OE1-CB 3.49Å; D53-N55 WeakPolarHBondContact OD1-CB 3.27Å; D53-N55 VanDerWaalsContact OD1-CG 3.23Å; D53-N55 PolarHBondContact OD1-N 3.27Å; D53-N55 PolarHBondContact OD1-ND2 2.87Å; D53-N55 PolarHBondContact OD2-ND2 3.47Å; D53-W73 HydrophobicContact CB-CH2 4.19Å; D53-W73 HydrophobicContact CB-CZ3 3.81Å; D53-W73 VanDerWaalsContact OD2-CH2 3.3Å; D53-W73 WeakPolarHBondContact OD2-CH2 3.39Å; D53-N75 HydrophobicContact CB-CB 4.4Å; D53-N75 PolarHBondContact OD1-ND2 3.32Å; D53-N75 PolarHBondContact OD2-ND2 3.1Å |
| 54 | L | 82.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -130.3 | 20.2 | 178.6 | -77.8 | 164.3 | 0 | 0 | 0 | 110.9 | L32 M37 M40 I43 L52 N57 I59 N75 L76 N79 | L32-L54 HydrophobicContact CB-CD2 3.7Å; L32-L54 HydrophobicContact CD1-CD2 3.89Å; L32-L54 HydrophobicContact CG-CD2 4.47Å; M37-L54 HydrophobicContact CE-CD2 3.41Å; M37-L54 VanDerWaalsContact CE-CD2 3.41Å; M37-L54 HydrophobicContact SD-CD2 4.03Å; M40-L54 HydrophobicContact CE-CD1 4.18Å; M40-L54 HydrophobicContact CG-CD1 4.36Å; M40-L54 HydrophobicContact SD-CD1 3.68Å; I43-L54 HydrophobicContact CD1-CD1 3.8Å; I43-L54 HydrophobicContact CD1-CD2 3.86Å; I43-L54 HydrophobicContact CD1-CG 4.35Å; L52-L54 HydrophobicContact CD1-CD1 4.15Å; L52-L54 HydrophobicContact CD1-CG 4.02Å; L52-L54 HydrophobicContact CD2-CD1 3.75Å; L52-L54 HydrophobicContact CD2-CG 4.49Å; L52-L54 HydrophobicContact CG-CD1 3.84Å; L52-L54 HydrophobicContact CG-CG 4.07Å; L54-N57 PolarHBondContact O-ND2 2.91Å; L54-I59 HydrophobicContact CB-CD1 4.02Å; L54-I59 HydrophobicContact CD2-CD1 4.21Å; L54-N75 PolarHBondContact N-O 2.87Å; L54-L76 HydrophobicContact CB-CD2 3.72Å; L54-L76 HydrophobicContact CD1-CD2 3.78Å; L54-L76 HydrophobicContact CG-CD2 4.42Å; L54-N79 PolarHBondContact O-ND2 3.39Å | ||
| 55 | N | 76.9 | Confident | 82.4 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 10% | 0.096 | 18% | 0.176 | C | C | . | . | trans | -64.9 | 160.1 | -176.6 | 81.3 | 56 | 0 | 0 | 0 | 113.2 | E33 F34 D53 N57 N75 S77 | E33-N55 WeakPolarHBondContact CA-O 3.24Å; F34-N55 PolarHBondContact N-O 3.25Å; D53-N55 WeakPolarHBondContact OD1-CB 3.27Å; D53-N55 VanDerWaalsContact OD1-CG 3.23Å; D53-N55 PolarHBondContact OD1-N 3.27Å; D53-N55 PolarHBondContact OD1-ND2 2.87Å; D53-N55 PolarHBondContact OD2-ND2 3.47Å; N55-N57 PolarHBondContact O-N 3.06Å; N55-N57 PolarHBondContact O-ND2 3.02Å; N55-N57 VanDerWaalsContact O-ND2 3.08Å; N55-N75 PolarHBondContact ND2-ND2 2.65Å; N55-S77 WeakPolarHBondContact CA-O 3.23Å; N55-S77 WeakPolarHBondContact CB-O 3.38Å | ||
| 56 | N | 76.4 | Confident | 82.9 | Confident | 53 Ų | 53 | 35.8 Ų | 35.8 | 28% | 0.283 | 18% | 0.177 | S | C | . | . | S | Bend | trans | 53.4 | 50.2 | 178.1 | -71.5 | -79.6 | 0 | 0 | 0 | 113 | F34 S77 F78 | F34-N56 VanDerWaalsContact CA-O 3.3Å; F34-N56 WeakPolarHBondContact CA-O 3.22Å; F34-N56 HydrophobicContact CD1-CB 3.41Å; F34-N56 VanDerWaalsContact CD1-CB 3.41Å; F34-N56 HydrophobicContact CD2-CB 4.26Å; F34-N56 HydrophobicContact CE1-CB 3.33Å; F34-N56 HydrophobicContact CE2-CB 4.17Å; F34-N56 HydrophobicContact CG-CB 3.89Å; F34-N56 HydrophobicContact CZ-CB 3.73Å; F34-N56 WeakPolarHBondContact CZ-ND2 3.46Å; F34-N56 PolarHBondContact N-O 3.46Å; N56-S77 PolarHBondContact N-O 3.13Å; N56-S77 VanDerWaalsContact N-O 3.14Å; N56-F78 WeakPolarHBondContact CA-O 3.46Å; N56-F78 HydrophobicContact CB-CB 4.37Å; N56-F78 PolarHBondContact N-O 3.4Å; N56-F78 WeakPolarHBondContact OD1-CB 3.43Å |
| 57 | N | 78.3 | Confident | 83.2 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 5% | 0.048 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -122.8 | -169.3 | 176.4 | -81.3 | -68 | 0 | 0 | 0 | 110.3 | L32 K35 N36 M37 L54 N55 I59 F78 N79 | L32-N57 PolarHBondContact O-ND2 2.97Å; K35-N57 WeakPolarHBondContact CA-OD1 3.23Å; K35-N57 PolarHBondContact N-OD1 2.73Å; K35-N57 VanDerWaalsContact N-OD1 3.12Å; N36-N57 PolarHBondContact N-OD1 3.12Å; M37-N57 HydrophobicContact CB-CB 4.32Å; M37-N57 PolarHBondContact N-OD1 3.36Å; L54-N57 PolarHBondContact O-ND2 2.91Å; N55-N57 PolarHBondContact O-N 3.06Å; N55-N57 PolarHBondContact O-ND2 3.02Å; N55-N57 VanDerWaalsContact O-ND2 3.08Å; N57-I59 HydrophobicContact CB-CD1 3.99Å; N57-I59 HydrophobicContact CB-CG1 4.11Å; N57-F78 PolarHBondContact N-O 2.91Å; N57-F78 VanDerWaalsContact N-O 3.16Å; N57-N79 WeakPolarHBondContact CA-OD1 3.46Å; N57-N79 WeakPolarHBondContact CB-OD1 3.49Å; N57-N79 PolarHBondContact O-OD1 3.41Å |
| 58 | V | 85.4 | Confident | 83.5 | Confident | 34 Ų | 34 | 39 Ų | 39 | 21% | 0.206 | 18% | 0.182 | C | C | . | . | trans | -122.2 | 32.5 | 179.5 | -66.6 | 0 | 0 | 0 | 0 | 111.8 | N36 M37 V38 Q60 N79 K80 | N36-V58 WeakPolarHBondContact O-CG2 3.32Å; M37-V58 CarbonylContact O-C 3.52Å; M37-V58 WeakPolarHBondContact O-CA 3.27Å; M37-V58 VanDerWaalsContact O-CG2 3.29Å; M37-V58 WeakPolarHBondContact O-CG2 3.36Å; M37-V58 PolarHBondContact O-N 3.04Å; V38-V58 HydrophobicContact CG2-CG2 3.67Å; V58-Q60 PolarHBondContact O-N 3.19Å; V58-N79 PolarHBondContact N-OD1 2.66Å; V58-K80 HydrophobicContact CB-CD 4.48Å | ||
| 59 | I | 87.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -66.7 | 128 | 179 | -61.9 | 161.2 | 0 | 0 | 0 | 108.9 | M37 M40 L54 N57 K61 L76 N79 K80 I81 | M37-I59 WeakPolarHBondContact O-CG1 3.35Å; M37-I59 PolarHBondContact O-N 3.38Å; M37-I59 VanDerWaalsContact O-N 3.15Å; M40-I59 HydrophobicContact CE-CD1 4.07Å; M40-I59 HydrophobicContact CE-CG2 3.57Å; L54-I59 HydrophobicContact CB-CD1 4.02Å; L54-I59 HydrophobicContact CD2-CD1 4.21Å; N57-I59 HydrophobicContact CB-CD1 3.99Å; N57-I59 HydrophobicContact CB-CG1 4.11Å; I59-K61 VanDerWaalsContact CG2-O 3.23Å; I59-K61 WeakPolarHBondContact CG2-O 3.44Å; I59-L76 HydrophobicContact CD1-CD2 4.19Å; I59-N79 HydrophobicContact CB-CB 4.43Å; I59-N79 WeakPolarHBondContact CB-OD1 3.36Å; I59-N79 WeakPolarHBondContact CG1-OD1 3.35Å; I59-N79 PolarHBondContact N-OD1 3.02Å; I59-K80 CarbonylContact O-C 3.59Å; I59-K80 VanDerWaalsContact O-CA 3.29Å; I59-K80 WeakPolarHBondContact O-CA 3.39Å; I59-K80 PolarHBondContact O-N 3.35Å; I59-I81 HydrophobicContact CG2-CD1 4.38Å; I59-I81 HydrophobicContact CG2-CG1 4.08Å; I59-I81 PolarHBondContact O-N 3.24Å | ||
| 60 | Q | 89.6 | Confident | 84.3 | Confident | 104 Ų | 104 | 43.7 Ų | 43.7 | 49% | 0.486 | 21% | 0.207 | S | C | . | . | trans | -102.4 | -19.2 | 179.5 | -66.8 | 174 | 0.7 | 0 | 0 | 113.7 | V58 K80 I81 E82 | V58-Q60 PolarHBondContact O-N 3.19Å; Q60-K80 WeakPolarHBondContact CA-O 3.42Å; Q60-K80 HydrophobicContact CG-CB 4.17Å; Q60-I81 WeakPolarHBondContact O-CA 3.37Å; Q60-E82 PolarHBondContact O-N 2.56Å | ||
| 61 | K | 89.1 | Confident | 84.7 | Confident | 141 Ų | 141 | 41.7 Ų | 41.7 | 61% | 0.613 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -145 | 143.4 | -176.7 | -63.1 | -171.8 | 179.3 | -175.6 | 0 | 110.1 | I59 W63 | I59-K61 VanDerWaalsContact CG2-O 3.23Å; I59-K61 WeakPolarHBondContact CG2-O 3.44Å; K61-W63 VanDerWaalsContact O-CD1 3.26Å |
| 62 | I | 91.3 | Very high | 84.9 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 7% | 0.072 | 19% | 0.191 | C | C | . | . | trans | -87.5 | 129.7 | 171.1 | -54.3 | 174 | 0 | 0 | 0 | 108.7 | M40 L65 L76 I81 G85 L87 L98 | M40-I62 HydrophobicContact CE-CG2 4.47Å; I62-L65 HydrophobicContact CG2-CD1 3.61Å; I62-L65 HydrophobicContact CG2-CG 4.37Å; I62-L76 HydrophobicContact CD1-CD1 3.84Å; I62-L76 HydrophobicContact CG1-CD1 3.98Å; I62-L76 HydrophobicContact CG2-CD1 4.48Å; I62-I81 HydrophobicContact CD1-CD1 4.19Å; I62-I81 HydrophobicContact CD1-CG2 4.16Å; I62-I81 HydrophobicContact CG1-CD1 3.8Å; I62-I81 HydrophobicContact CG1-CG1 4.3Å; I62-I81 HydrophobicContact CG1-CG2 3.98Å; I62-G85 VanDerWaalsContact CB-O 3.24Å; I62-G85 WeakPolarHBondContact CB-O 3.49Å; I62-G85 VanDerWaalsContact CG2-O 3.23Å; I62-G85 WeakPolarHBondContact CG2-O 3.31Å; I62-L87 HydrophobicContact CD1-CD1 4.49Å; I62-L87 HydrophobicContact CD1-CD2 4.44Å; I62-L87 HydrophobicContact CG2-CD2 3.81Å; I62-L87 HydrophobicContact CG2-CG 4.32Å; I62-L98 HydrophobicContact CD1-CD2 3.91Å | ||
| 63 | W | 86.3 | Confident | 85.1 | Confident | 79 Ų | 79 | 42.4 Ų | 42.4 | 30% | 0.299 | 20% | 0.201 | S | C | . | . | trans | -175.6 | 176.4 | 177.1 | 58.9 | -69.8 | 0 | 0 | 0 | 106.8 | K39 M40 D41 K61 L65 | K39-W63 HydrophobicContact CB-CH2 4.39Å; K39-W63 HydrophobicContact CB-CZ2 3.77Å; K39-W63 HydrophobicContact CD-CH2 4.06Å; K39-W63 HydrophobicContact CD-CZ2 3.8Å; K39-W63 HydrophobicContact CG-CZ2 3.84Å; M40-W63 VanDerWaalsContact CB-O 3.31Å; M40-W63 WeakPolarHBondContact CB-O 3.45Å; D41-W63 HydrophobicContact CB-CH2 4.33Å; D41-W63 HydrophobicContact CB-CZ3 4.4Å; D41-W63 WeakPolarHBondContact OD1-CH2 3.48Å; D41-W63 WeakPolarHBondContact OD1-CZ3 3.18Å; D41-W63 VanDerWaalsContact OD2-CH2 3.24Å; D41-W63 WeakPolarHBondContact OD2-CH2 3.36Å; K61-W63 VanDerWaalsContact O-CD1 3.26Å; W63-L65 PolarHBondContact O-N 3.16Å | ||
| 64 | G | 83.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 88.1 | -12.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H44 | H44-G64 WeakPolarHBondContact CA-O 3.41Å; H44-G64 WeakPolarHBondContact CE1-CA 3.29Å; H44-G64 PolarHBondContact N-O 2.67Å; H44-G64 PolarHBondContact ND1-O 3.4Å |
| 65 | L | 88.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -99.4 | -5.8 | -169.3 | -47.2 | -176.8 | 0 | 0 | 0 | 113.4 | M40 L52 I62 W63 R67 L68 L74 L87 S89 L90 | M40-L65 HydrophobicContact SD-CD1 4.49Å; M40-L65 HydrophobicContact SD-CD2 3.8Å; M40-L65 HydrophobicContact SD-CG 4.21Å; L52-L65 HydrophobicContact CD2-CD2 3.74Å; I62-L65 HydrophobicContact CG2-CD1 3.61Å; I62-L65 HydrophobicContact CG2-CG 4.37Å; W63-L65 PolarHBondContact O-N 3.16Å; L65-R67 PolarHBondContact O-N 3.32Å; L65-L68 HydrophobicContact CB-CD1 4.24Å; L65-L68 HydrophobicContact CD2-CD1 3.61Å; L65-L68 WeakPolarHBondContact O-CB 3.38Å; L65-L68 PolarHBondContact O-N 3.34Å; L65-L74 HydrophobicContact CD1-CD1 4.49Å; L65-L74 HydrophobicContact CD1-CD2 3.65Å; L65-L87 HydrophobicContact CD1-CD2 4Å; L65-S89 PolarHBondContact O-OG 3.29Å; L65-L90 HydrophobicContact CB-CD1 4.23Å; L65-L90 HydrophobicContact CB-CD2 4.34Å; L65-L90 HydrophobicContact CD1-CD1 4.15Å; L65-L90 WeakPolarHBondContact O-CD2 3.41Å | ||
| 66 | D | 86.7 | Confident | 86.6 | Confident | 82 Ų | 82 | 41.7 Ų | 41.7 | 44% | 0.439 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -28.7 | -171.2 | -50.5 | -97.8 | 0 | 0 | 0 | 113.7 | H44 S89 | H44-D66 IonicContact CE1-OD2 3.14Å; H44-D66 PolarHBondContact CE1-OD2 3.2Å; D66-S89 WeakPolarHBondContact CA-OG 3.16Å; D66-S89 WeakPolarHBondContact O-CB 3.46Å; D66-S89 PolarHBondContact O-OG 3.13Å |
| 67 | R | 85.1 | Confident | 86.9 | Confident | 138 Ų | 138 | 39.5 Ų | 39.5 | 52% | 0.521 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -5.8 | 179.1 | -64.4 | 176.5 | 171.3 | 179.7 | 1.9 | 114.4 | H44 D45 T47 L65 T69 | H44-R67 WeakPolarHBondContact O-CB 3.24Å; H44-R67 WeakPolarHBondContact O-CD 3.41Å; D45-R67 IonicContact OD1-NH1 3.27Å; D45-R67 PolarHBondContact OD1-NH1 3.12Å; T47-R67 HydrophobicContact CG2-CB 3.94Å; L65-R67 PolarHBondContact O-N 3.32Å; R67-T69 PolarHBondContact O-N 3.04Å |
| 68 | L | 87.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -86.1 | 47 | -174.9 | -53.1 | -175.7 | 0 | 0 | 0 | 112.1 | I43 F46 L49 L52 L65 N70 L71 L90 | I43-L68 HydrophobicContact CG2-CD1 3.87Å; F46-L68 HydrophobicContact CB-CD2 4.5Å; F46-L68 VanDerWaalsContact O-CD2 3.24Å; F46-L68 WeakPolarHBondContact O-CD2 3.46Å; L49-L68 HydrophobicContact CD1-CD1 4.37Å; L49-L68 HydrophobicContact CD1-CD2 4.26Å; L52-L68 HydrophobicContact CD2-CD1 3.89Å; L65-L68 HydrophobicContact CB-CD1 4.24Å; L65-L68 HydrophobicContact CD2-CD1 3.61Å; L65-L68 WeakPolarHBondContact O-CB 3.38Å; L65-L68 PolarHBondContact O-N 3.34Å; L68-N70 PolarHBondContact O-N 2.99Å; L68-L71 HydrophobicContact CB-CB 4.41Å; L68-L71 VanDerWaalsContact O-CB 3.31Å; L68-L71 WeakPolarHBondContact O-CB 3.45Å; L68-L71 PolarHBondContact O-N 3.42Å; L68-L90 HydrophobicContact CB-CD2 3.97Å; L68-L90 VanDerWaalsContact O-CD2 3.24Å; L68-L90 WeakPolarHBondContact O-CD2 3.49Å | ||
| 69 | T | 88.6 | Confident | 87.1 | Confident | 69 Ų | 69 | 42.1 Ų | 42.1 | 42% | 0.423 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -1.6 | -174.2 | 57.8 | 0 | 0 | 0 | 0 | 114.8 | R67 K92 | R67-T69 PolarHBondContact O-N 3.04Å; T69-K92 VanDerWaalsContact O-CE 3.27Å; T69-K92 WeakPolarHBondContact O-CE 3.13Å |
| 70 | N | 83.8 | Confident | 87.3 | Confident | 54 Ų | 54 | 47.1 Ų | 47.1 | 29% | 0.289 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -6.7 | 175.1 | -69.5 | -54.2 | 0 | 0 | 0 | 113.8 | T47 L49 T50 L68 T72 K92 | T47-N70 PolarHBondContact O-ND2 2.77Å; L49-N70 CarbonylContact O-C 3.19Å; L49-N70 VanDerWaalsContact O-CB 3.31Å; L49-N70 WeakPolarHBondContact O-CB 3.16Å; T50-N70 WeakPolarHBondContact CA-O 3.13Å; T50-N70 HydrophobicContact CG2-CB 4.5Å; L68-N70 PolarHBondContact O-N 2.99Å; N70-T72 PolarHBondContact O-N 3.23Å; N70-K92 PolarHBondContact OD1-NZ 3.35Å |
| 71 | L | 87.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -66.6 | 118.4 | -173.7 | -151.5 | 72.9 | 0 | 0 | 0 | 111.7 | L49 L52 L68 L74 L90 K92 L93 | L49-L71 HydrophobicContact CB-CD1 3.94Å; L49-L71 WeakPolarHBondContact O-CA 3.41Å; L49-L71 PolarHBondContact O-N 3.12Å; L49-L71 VanDerWaalsContact O-N 3.17Å; L52-L71 HydrophobicContact CB-CD1 3.73Å; L52-L71 HydrophobicContact CB-CD2 4.31Å; L68-L71 HydrophobicContact CB-CB 4.41Å; L68-L71 VanDerWaalsContact O-CB 3.31Å; L68-L71 WeakPolarHBondContact O-CB 3.45Å; L68-L71 PolarHBondContact O-N 3.42Å; L71-L74 HydrophobicContact CD2-CB 3.81Å; L71-L74 HydrophobicContact CD2-CD1 4.1Å; L71-L74 HydrophobicContact CD2-CD2 4.1Å; L71-L74 HydrophobicContact CD2-CG 4.22Å; L71-L90 HydrophobicContact CB-CD2 4.16Å; L71-L90 HydrophobicContact CD2-CD1 4.17Å; L71-L90 HydrophobicContact CD2-CD2 4.44Å; L71-K92 CarbonylContact O-C 3.56Å; L71-K92 VanDerWaalsContact O-C 3.29Å; L71-L93 HydrophobicContact CB-CD1 4.33Å; L71-L93 HydrophobicContact CD2-CD1 4.12Å; L71-L93 HydrophobicContact CG-CD1 4.1Å; L71-L93 WeakPolarHBondContact O-CA 3.5Å; L71-L93 PolarHBondContact O-N 3.32Å | ||
| 72 | T | 84.3 | Confident | 87.7 | Confident | 31 Ų | 31 | 40 Ų | 40 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -102.3 | -20 | 171.7 | 65 | 0 | 0 | 0 | 0 | 112.2 | T50 N70 K92 E94 L95 | T50-T72 PolarHBondContact O-N 3.15Å; T50-T72 PolarHBondContact O-OG1 3.45Å; N70-T72 PolarHBondContact O-N 3.23Å; T72-K92 WeakPolarHBondContact CA-O 3.46Å; T72-K92 HydrophobicContact CG2-CB 4.18Å; T72-E94 WeakPolarHBondContact O-CA 3.46Å; T72-E94 PolarHBondContact O-N 2.99Å; T72-L95 PolarHBondContact O-N 3.27Å |
| 73 | W | 88.6 | Confident | 87.7 | Confident | 55 Ų | 55 | 43 Ų | 43 | 21% | 0.208 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 125.2 | -175.9 | -169.7 | 104 | 0 | 0 | 0 | 110.7 | T50 R51 L52 D53 N75 L95 | T50-W73 PolarHBondContact O-N 3.14Å; R51-W73 WeakPolarHBondContact CA-O 3.46Å; R51-W73 HydrophobicContact CB-CB 4.09Å; R51-W73 HydrophobicContact CB-CD2 4.38Å; R51-W73 HydrophobicContact CB-CE3 3.98Å; R51-W73 HydrophobicContact CB-CG 4.49Å; R51-W73 HydrophobicContact CG-CB 3.73Å; R51-W73 HydrophobicContact CG-CG 4.22Å; L52-W73 PolarHBondContact N-O 2.93Å; D53-W73 HydrophobicContact CB-CH2 4.19Å; D53-W73 HydrophobicContact CB-CZ3 3.81Å; D53-W73 VanDerWaalsContact OD2-CH2 3.3Å; D53-W73 WeakPolarHBondContact OD2-CH2 3.39Å; W73-N75 HydrophobicContact CE3-CB 4.25Å; W73-N75 HydrophobicContact CH2-CB 3.45Å; W73-N75 VanDerWaalsContact CH2-CB 3.45Å; W73-N75 HydrophobicContact CZ2-CB 4.19Å; W73-N75 HydrophobicContact CZ3-CB 3.46Å; W73-N75 VanDerWaalsContact CZ3-CB 3.46Å; W73-L95 WeakPolarHBondContact CA-O 3.27Å; W73-L95 HydrophobicContact CD2-CD2 4.34Å; W73-L95 HydrophobicContact CG-CB 4.29Å; W73-L95 HydrophobicContact CG-CD2 4.18Å |
| 74 | L | 92.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 116.8 | 179.1 | 178.2 | 53.4 | 0 | 0 | 0 | 110.4 | L52 L65 L71 L76 L87 L90 L93 L95 L96 N97 | L52-L74 HydrophobicContact CB-CD1 4.14Å; L52-L74 HydrophobicContact CD2-CD1 4.02Å; L52-L74 HydrophobicContact CG-CD1 4.08Å; L65-L74 HydrophobicContact CD1-CD1 4.49Å; L65-L74 HydrophobicContact CD1-CD2 3.65Å; L71-L74 HydrophobicContact CD2-CB 3.81Å; L71-L74 HydrophobicContact CD2-CD1 4.1Å; L71-L74 HydrophobicContact CD2-CD2 4.1Å; L71-L74 HydrophobicContact CD2-CG 4.22Å; L74-L76 HydrophobicContact CD1-CD1 3.97Å; L74-L76 HydrophobicContact CD1-CG 3.85Å; L74-L76 HydrophobicContact CD2-CD1 3.75Å; L74-L76 HydrophobicContact CG-CD1 3.8Å; L74-L76 HydrophobicContact CG-CG 4.03Å; L74-L87 HydrophobicContact CD2-CD2 3.74Å; L74-L90 HydrophobicContact CD2-CD1 4.05Å; L74-L93 HydrophobicContact CB-CD1 3.73Å; L74-L93 HydrophobicContact CB-CD2 4.31Å; L74-L95 PolarHBondContact N-O 2.93Å; L74-L96 HydrophobicContact CB-CD1 4.11Å; L74-L96 HydrophobicContact CD2-CD1 3.92Å; L74-L96 HydrophobicContact CG-CD1 3.97Å; L74-N97 PolarHBondContact O-N 2.88Å |
| 75 | N | 86.9 | Confident | 88.4 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 7% | 0.07 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.1 | 171.7 | -173.1 | 11.1 | 0 | 0 | 0 | 110.5 | L52 D53 L54 N55 W73 S77 N97 | L52-N75 PolarHBondContact O-N 2.93Å; D53-N75 HydrophobicContact CB-CB 4.4Å; D53-N75 PolarHBondContact OD1-ND2 3.32Å; D53-N75 PolarHBondContact OD2-ND2 3.1Å; L54-N75 PolarHBondContact N-O 2.87Å; N55-N75 PolarHBondContact ND2-ND2 2.65Å; W73-N75 HydrophobicContact CE3-CB 4.25Å; W73-N75 HydrophobicContact CH2-CB 3.45Å; W73-N75 VanDerWaalsContact CH2-CB 3.45Å; W73-N75 HydrophobicContact CZ2-CB 4.19Å; W73-N75 HydrophobicContact CZ3-CB 3.46Å; W73-N75 VanDerWaalsContact CZ3-CB 3.46Å; N75-S77 WeakPolarHBondContact OD1-CB 3.33Å; N75-S77 PolarHBondContact OD1-N 3.05Å; N75-S77 VanDerWaalsContact OD1-N 3.07Å; N75-S77 PolarHBondContact OD1-OG 3.23Å; N75-N97 HydrophobicContact CB-CB 4.45Å; N75-N97 PolarHBondContact OD1-ND2 3.31Å |
| 76 | L | 90.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -127.4 | 19.6 | 178.4 | -76.9 | 166.7 | 0 | 0 | 0 | 110.4 | M40 L54 I59 I62 L74 N79 I81 N97 L98 N101 | M40-L76 HydrophobicContact CE-CD2 3.51Å; L54-L76 HydrophobicContact CB-CD2 3.72Å; L54-L76 HydrophobicContact CD1-CD2 3.78Å; L54-L76 HydrophobicContact CG-CD2 4.42Å; I59-L76 HydrophobicContact CD1-CD2 4.19Å; I62-L76 HydrophobicContact CD1-CD1 3.84Å; I62-L76 HydrophobicContact CG1-CD1 3.98Å; I62-L76 HydrophobicContact CG2-CD1 4.48Å; L74-L76 HydrophobicContact CD1-CD1 3.97Å; L74-L76 HydrophobicContact CD1-CG 3.85Å; L74-L76 HydrophobicContact CD2-CD1 3.75Å; L74-L76 HydrophobicContact CG-CD1 3.8Å; L74-L76 HydrophobicContact CG-CG 4.03Å; L76-N79 PolarHBondContact O-ND2 3.2Å; L76-I81 HydrophobicContact CB-CD1 3.94Å; L76-I81 HydrophobicContact CD1-CD1 4.27Å; L76-I81 HydrophobicContact CD2-CD1 4.24Å; L76-I81 HydrophobicContact CG-CD1 4.4Å; L76-N97 CarbonylContact C-O 3.57Å; L76-N97 WeakPolarHBondContact CA-O 3.31Å; L76-N97 PolarHBondContact N-O 2.75Å; L76-L98 HydrophobicContact CB-CD2 3.64Å; L76-L98 HydrophobicContact CD1-CD2 3.95Å; L76-L98 HydrophobicContact CG-CD2 4.46Å; L76-N101 PolarHBondContact O-ND2 2.83Å | ||
| 77 | S | 83.3 | Confident | 88.7 | Confident | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | trans | -65.9 | 161.6 | 179.5 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | N55 N56 N75 N79 N97 A99 | N55-S77 WeakPolarHBondContact CA-O 3.23Å; N55-S77 WeakPolarHBondContact CB-O 3.38Å; N56-S77 PolarHBondContact N-O 3.13Å; N56-S77 VanDerWaalsContact N-O 3.14Å; N75-S77 WeakPolarHBondContact OD1-CB 3.33Å; N75-S77 PolarHBondContact OD1-N 3.05Å; N75-S77 VanDerWaalsContact OD1-N 3.07Å; N75-S77 PolarHBondContact OD1-OG 3.23Å; S77-N79 PolarHBondContact O-N 3.29Å; S77-N79 PolarHBondContact O-ND2 2.94Å; S77-N97 PolarHBondContact N-O 2.98Å; S77-N97 PolarHBondContact OG-ND2 2.93Å; S77-A99 CarbonylContact C-O 3.58Å; S77-A99 WeakPolarHBondContact CA-O 3.19Å; S77-A99 WeakPolarHBondContact CB-O 3.4Å | ||
| 78 | F | 81.9 | Confident | 88.9 | Confident | 88 Ų | 88 | 34.4 Ų | 34.4 | 39% | 0.386 | 18% | 0.179 | S | C | . | . | S | Bend | trans | 51.9 | 56.7 | -178.9 | -59.8 | -86.5 | 0 | 0 | 0 | 112.2 | N56 N57 A99 F100 | N56-F78 WeakPolarHBondContact CA-O 3.46Å; N56-F78 HydrophobicContact CB-CB 4.37Å; N56-F78 PolarHBondContact N-O 3.4Å; N56-F78 WeakPolarHBondContact OD1-CB 3.43Å; N57-F78 PolarHBondContact N-O 2.91Å; N57-F78 VanDerWaalsContact N-O 3.16Å; F78-A99 PolarHBondContact N-O 3.19Å; F78-F100 VanDerWaalsContact CA-O 3.27Å; F78-F100 WeakPolarHBondContact CA-O 3.44Å; F78-F100 HydrophobicContact CD1-CB 3.66Å; F78-F100 HydrophobicContact CD1-CD1 4.2Å; F78-F100 HydrophobicContact CD1-CD2 4.16Å; F78-F100 AromaticContact CD1-CG 3.77Å; F78-F100 HydrophobicContact CD1-CG 3.77Å; F78-F100 HydrophobicContact CD2-CD2 4.42Å; F78-F100 HydrophobicContact CE1-CB 3.89Å; F78-F100 AromaticContact CE1-CD1 3.69Å; F78-F100 HydrophobicContact CE1-CD1 3.69Å; F78-F100 AromaticContact CE1-CD2 3.55Å; F78-F100 HydrophobicContact CE1-CD2 3.55Å; F78-F100 HydrophobicContact CE1-CE1 4.01Å; F78-F100 AromaticContact CE1-CE2 3.9Å; F78-F100 HydrophobicContact CE1-CE2 3.9Å; F78-F100 AromaticContact CE1-CG 3.43Å; F78-F100 HydrophobicContact CE1-CG 3.43Å; F78-F100 VanDerWaalsContact CE1-CG 3.43Å; F78-F100 HydrophobicContact CE1-CZ 4.11Å; F78-F100 AromaticContact CE2-CD2 3.84Å; F78-F100 HydrophobicContact CE2-CD2 3.84Å; F78-F100 HydrophobicContact CE2-CE2 4.24Å; F78-F100 HydrophobicContact CE2-CG 4.41Å; F78-F100 HydrophobicContact CG-CB 4Å; F78-F100 HydrophobicContact CG-CG 4.4Å; F78-F100 HydrophobicContact CZ-CB 4.41Å; F78-F100 HydrophobicContact CZ-CD1 4.31Å; F78-F100 AromaticContact CZ-CD2 3.36Å; F78-F100 HydrophobicContact CZ-CD2 3.36Å; F78-F100 HydrophobicContact CZ-CE1 4.41Å; F78-F100 AromaticContact CZ-CE2 3.51Å; F78-F100 HydrophobicContact CZ-CE2 3.51Å; F78-F100 AromaticContact CZ-CG 3.8Å; F78-F100 HydrophobicContact CZ-CG 3.8Å; F78-F100 HydrophobicContact CZ-CZ 4.04Å; F78-F100 PolarHBondContact N-O 2.93Å |
| 79 | N | 85.8 | Confident | 89 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 6% | 0.059 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -134.1 | -165.8 | 179 | -89.9 | -81 | 0 | 0 | 0 | 109.8 | L54 N57 V58 I59 L76 S77 I81 F100 N101 | L54-N79 PolarHBondContact O-ND2 3.39Å; N57-N79 WeakPolarHBondContact CA-OD1 3.46Å; N57-N79 WeakPolarHBondContact CB-OD1 3.49Å; N57-N79 PolarHBondContact O-OD1 3.41Å; V58-N79 PolarHBondContact N-OD1 2.66Å; I59-N79 HydrophobicContact CB-CB 4.43Å; I59-N79 WeakPolarHBondContact CB-OD1 3.36Å; I59-N79 WeakPolarHBondContact CG1-OD1 3.35Å; I59-N79 PolarHBondContact N-OD1 3.02Å; L76-N79 PolarHBondContact O-ND2 3.2Å; S77-N79 PolarHBondContact O-N 3.29Å; S77-N79 PolarHBondContact O-ND2 2.94Å; N79-I81 HydrophobicContact CB-CD1 4.29Å; N79-I81 HydrophobicContact CB-CG1 4.33Å; N79-F100 PolarHBondContact N-O 3Å; N79-F100 VanDerWaalsContact N-O 3.08Å; N79-N101 WeakPolarHBondContact CA-OD1 3.5Å; N79-N101 WeakPolarHBondContact CB-OD1 3.32Å; N79-N101 PolarHBondContact O-OD1 3.39Å |
| 80 | K | 91.3 | Very high | 89.2 | Confident | 104 Ų | 104 | 32.5 Ų | 32.5 | 45% | 0.452 | 17% | 0.169 | S | C | . | . | trans | -124.2 | 27.7 | -176.2 | -60.8 | -175.9 | 179.5 | 179 | 0 | 112 | V58 I59 Q60 E82 N101 | V58-K80 HydrophobicContact CB-CD 4.48Å; I59-K80 CarbonylContact O-C 3.59Å; I59-K80 VanDerWaalsContact O-CA 3.29Å; I59-K80 WeakPolarHBondContact O-CA 3.39Å; I59-K80 PolarHBondContact O-N 3.35Å; Q60-K80 WeakPolarHBondContact CA-O 3.42Å; Q60-K80 HydrophobicContact CG-CB 4.17Å; K80-E82 PolarHBondContact O-N 3.31Å; K80-N101 PolarHBondContact N-OD1 3.35Å | ||
| 81 | I | 94.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -68.7 | 124.6 | -175.7 | -60.8 | 161.8 | 0 | 0 | 0 | 109.5 | I59 Q60 I62 L76 N79 N83 L98 N101 N102 I103 | I59-I81 HydrophobicContact CG2-CD1 4.38Å; I59-I81 HydrophobicContact CG2-CG1 4.08Å; I59-I81 PolarHBondContact O-N 3.24Å; Q60-I81 WeakPolarHBondContact O-CA 3.37Å; I62-I81 HydrophobicContact CD1-CD1 4.19Å; I62-I81 HydrophobicContact CD1-CG2 4.16Å; I62-I81 HydrophobicContact CG1-CD1 3.8Å; I62-I81 HydrophobicContact CG1-CG1 4.3Å; I62-I81 HydrophobicContact CG1-CG2 3.98Å; L76-I81 HydrophobicContact CB-CD1 3.94Å; L76-I81 HydrophobicContact CD1-CD1 4.27Å; L76-I81 HydrophobicContact CD2-CD1 4.24Å; L76-I81 HydrophobicContact CG-CD1 4.4Å; N79-I81 HydrophobicContact CB-CD1 4.29Å; N79-I81 HydrophobicContact CB-CG1 4.33Å; I81-N83 WeakPolarHBondContact CG2-O 3.4Å; I81-L98 HydrophobicContact CD1-CD2 3.86Å; I81-N101 HydrophobicContact CB-CB 4.38Å; I81-N101 VanDerWaalsContact CB-OD1 3.28Å; I81-N101 WeakPolarHBondContact CB-OD1 3.45Å; I81-N101 WeakPolarHBondContact CG1-OD1 3.17Å; I81-N101 PolarHBondContact N-OD1 2.85Å; I81-N102 CarbonylContact O-C 3.31Å; I81-N102 VanDerWaalsContact O-CA 3.31Å; I81-N102 WeakPolarHBondContact O-CA 3.44Å; I81-N102 PolarHBondContact O-N 2.96Å; I81-I103 HydrophobicContact CG2-CD1 4.41Å; I81-I103 HydrophobicContact CG2-CG1 4.18Å; I81-I103 WeakPolarHBondContact O-CG1 3.38Å; I81-I103 PolarHBondContact O-N 3.48Å | ||
| 82 | E | 92.6 | Very high | 89.5 | Confident | 97 Ų | 97 | 40 Ų | 40 | 45% | 0.453 | 20% | 0.196 | S | C | . | . | trans | -98.1 | -26.5 | -179.6 | -64.7 | 171.2 | 178 | 0 | 0 | 113.2 | Q60 K80 N102 | Q60-E82 PolarHBondContact O-N 2.56Å; K80-E82 PolarHBondContact O-N 3.31Å; E82-N102 HydrophobicContact CG-CB 4.06Å | ||
| 83 | N | 91.8 | Very high | 89.9 | Confident | 76 Ų | 76 | 38.6 Ų | 38.6 | 41% | 0.406 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -141.8 | 137.6 | -174.4 | -79.8 | -100.3 | 0 | 0 | 0 | 110.2 | I81 K107 | I81-N83 WeakPolarHBondContact CG2-O 3.4Å; N83-K107 PolarHBondContact OD1-NZ 2.69Å |
| 84 | I | 94 | Very high | 89.7 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | trans | -82 | 143.4 | 172.2 | -49.8 | 178.8 | 0 | 0 | 0 | 109.8 | L87 L98 I103 I106 K107 N108 M109 I120 | I84-L87 HydrophobicContact CG2-CD1 3.48Å; I84-L87 VanDerWaalsContact CG2-CD1 3.48Å; I84-L87 HydrophobicContact CG2-CG 4.36Å; I84-L98 HydrophobicContact CD1-CD1 3.93Å; I84-L98 HydrophobicContact CG1-CD1 4.13Å; I84-I103 HydrophobicContact CD1-CD1 4.2Å; I84-I103 HydrophobicContact CD1-CG2 4.18Å; I84-I103 HydrophobicContact CG1-CD1 3.9Å; I84-I103 HydrophobicContact CG1-CG1 4.43Å; I84-I103 HydrophobicContact CG1-CG2 3.99Å; I84-I106 HydrophobicContact CD1-CG2 4.32Å; I84-K107 WeakPolarHBondContact CB-O 3.42Å; I84-N108 PolarHBondContact O-ND2 2.79Å; I84-M109 HydrophobicContact CD1-SD 3.65Å; I84-M109 HydrophobicContact CG2-CG 3.65Å; I84-M109 HydrophobicContact CG2-SD 4.04Å; I84-I120 HydrophobicContact CD1-CD1 4.04Å | ||
| 85 | G | 89.7 | Confident | 89.6 | Confident | 15 Ų | 15 | 41.9 Ų | 41.9 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | trans | 166.3 | 170.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I62 L87 | I62-G85 VanDerWaalsContact CB-O 3.24Å; I62-G85 WeakPolarHBondContact CB-O 3.49Å; I62-G85 VanDerWaalsContact CG2-O 3.23Å; I62-G85 WeakPolarHBondContact CG2-O 3.31Å; G85-L87 PolarHBondContact O-N 3.11Å | ||
| 86 | G | 87.7 | Confident | 90 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 66.9 | 21.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D88 | G86-D88 PolarHBondContact N-OD2 3.03Š|
| 87 | L | 93.3 | Very high | 90 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -105.1 | -3.5 | 173.4 | -59.8 | 178.7 | 0 | 0 | 0 | 111.3 | I62 L65 L74 I84 G85 S89 L90 L96 M109 L112 | I62-L87 HydrophobicContact CD1-CD1 4.49Å; I62-L87 HydrophobicContact CD1-CD2 4.44Å; I62-L87 HydrophobicContact CG2-CD2 3.81Å; I62-L87 HydrophobicContact CG2-CG 4.32Å; L65-L87 HydrophobicContact CD1-CD2 4Å; L74-L87 HydrophobicContact CD2-CD2 3.74Å; I84-L87 HydrophobicContact CG2-CD1 3.48Å; I84-L87 VanDerWaalsContact CG2-CD1 3.48Å; I84-L87 HydrophobicContact CG2-CG 4.36Å; G85-L87 PolarHBondContact O-N 3.11Å; L87-S89 PolarHBondContact O-N 2.85Å; L87-S89 VanDerWaalsContact O-N 3.08Å; L87-L90 HydrophobicContact CB-CD1 4.27Å; L87-L90 HydrophobicContact CD2-CD1 3.58Å; L87-L90 WeakPolarHBondContact O-CB 3.45Å; L87-L90 WeakPolarHBondContact O-CG 3.42Å; L87-L90 PolarHBondContact O-N 2.93Å; L87-L96 HydrophobicContact CD1-CD2 3.83Å; L87-M109 HydrophobicContact CD1-CG 4.18Å; L87-L112 HydrophobicContact CB-CD1 4.38Å; L87-L112 HydrophobicContact CB-CD2 4.44Å; L87-L112 HydrophobicContact CD1-CD1 4.16Å | ||
| 88 | D | 90.8 | Very high | 90.5 | Very high | 83 Ų | 83 | 42.6 Ų | 42.6 | 44% | 0.444 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.9 | -165.1 | -54.7 | -100 | 0 | 0 | 0 | 113.8 | G86 T111 | G86-D88 PolarHBondContact N-OD2 3.03Å; D88-T111 VanDerWaalsContact C-OG1 3.32Å; D88-T111 WeakPolarHBondContact CA-OG1 3.23Å; D88-T111 VanDerWaalsContact O-CB 3.32Å; D88-T111 WeakPolarHBondContact O-CB 3.29Å; D88-T111 WeakPolarHBondContact O-CG2 3.37Å; D88-T111 PolarHBondContact O-OG1 3.23Å |
| 89 | S | 89.5 | Confident | 90.8 | Very high | 29 Ų | 29 | 38.7 Ų | 38.7 | 20% | 0.203 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -14.9 | 176.4 | 67 | 0 | 0 | 0 | 0 | 114.6 | L65 D66 L87 R91 | L65-S89 PolarHBondContact O-OG 3.29Å; D66-S89 WeakPolarHBondContact CA-OG 3.16Å; D66-S89 WeakPolarHBondContact O-CB 3.46Å; D66-S89 PolarHBondContact O-OG 3.13Å; L87-S89 PolarHBondContact O-N 2.85Å; L87-S89 VanDerWaalsContact O-N 3.08Å; S89-R91 PolarHBondContact O-N 3.1Å |
| 90 | L | 92.7 | Very high | 91 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -83.4 | 46.5 | -168.3 | -51.3 | -178.2 | 0 | 0 | 0 | 112.3 | L65 L68 L71 L74 L87 K92 L93 L112 | L65-L90 HydrophobicContact CB-CD1 4.23Å; L65-L90 HydrophobicContact CB-CD2 4.34Å; L65-L90 HydrophobicContact CD1-CD1 4.15Å; L65-L90 WeakPolarHBondContact O-CD2 3.41Å; L68-L90 HydrophobicContact CB-CD2 3.97Å; L68-L90 VanDerWaalsContact O-CD2 3.24Å; L68-L90 WeakPolarHBondContact O-CD2 3.49Å; L71-L90 HydrophobicContact CB-CD2 4.16Å; L71-L90 HydrophobicContact CD2-CD1 4.17Å; L71-L90 HydrophobicContact CD2-CD2 4.44Å; L74-L90 HydrophobicContact CD2-CD1 4.05Å; L87-L90 HydrophobicContact CB-CD1 4.27Å; L87-L90 HydrophobicContact CD2-CD1 3.58Å; L87-L90 WeakPolarHBondContact O-CB 3.45Å; L87-L90 WeakPolarHBondContact O-CG 3.42Å; L87-L90 PolarHBondContact O-N 2.93Å; L90-K92 PolarHBondContact O-N 3.37Å; L90-L93 HydrophobicContact CB-CB 4.24Å; L90-L93 WeakPolarHBondContact O-CB 3.07Å; L90-L93 PolarHBondContact O-N 3.17Å; L90-L112 HydrophobicContact CB-CD2 4Å; L90-L112 VanDerWaalsContact O-CD2 3.29Å; L90-L112 WeakPolarHBondContact O-CD2 3.24Å | ||
| 91 | R | 91.4 | Very high | 91 | Very high | 125 Ų | 125 | 38 Ų | 38 | 47% | 0.472 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -16 | -173.5 | -68 | 179.7 | 170.7 | -82.9 | 1.6 | 114.9 | S89 E113 N114 | S89-R91 PolarHBondContact O-N 3.1Å; R91-E113 IonicContact NH1-OE1 2.66Å; R91-E113 PolarHBondContact NH1-OE1 3.11Å; R91-N114 PolarHBondContact O-ND2 3.14Å |
| 92 | K | 87.2 | Confident | 90.9 | Very high | 88 Ų | 88 | 40.7 Ų | 40.7 | 38% | 0.383 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -0.2 | 175.3 | -55.2 | -169.4 | -163.4 | 174.5 | 0 | 113.8 | T69 N70 L71 T72 L90 E94 | T69-K92 VanDerWaalsContact O-CE 3.27Å; T69-K92 WeakPolarHBondContact O-CE 3.13Å; N70-K92 PolarHBondContact OD1-NZ 3.35Å; L71-K92 CarbonylContact O-C 3.56Å; L71-K92 VanDerWaalsContact O-C 3.29Å; T72-K92 WeakPolarHBondContact CA-O 3.46Å; T72-K92 HydrophobicContact CG2-CB 4.18Å; L90-K92 PolarHBondContact O-N 3.37Å; K92-E94 PolarHBondContact O-N 2.97Å; K92-E94 VanDerWaalsContact O-N 3.11Å |
| 93 | L | 91.8 | Very high | 91 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -66.8 | 113.4 | -172.8 | -158.6 | 72.2 | 0 | 0 | 0 | 110.9 | L71 L74 L90 L96 L112 N114 L115 | L71-L93 HydrophobicContact CB-CD1 4.33Å; L71-L93 HydrophobicContact CD2-CD1 4.12Å; L71-L93 HydrophobicContact CG-CD1 4.1Å; L71-L93 WeakPolarHBondContact O-CA 3.5Å; L71-L93 PolarHBondContact O-N 3.32Å; L74-L93 HydrophobicContact CB-CD1 3.73Å; L74-L93 HydrophobicContact CB-CD2 4.31Å; L90-L93 HydrophobicContact CB-CB 4.24Å; L90-L93 WeakPolarHBondContact O-CB 3.07Å; L90-L93 PolarHBondContact O-N 3.17Å; L93-L96 HydrophobicContact CD2-CB 3.83Å; L93-L96 HydrophobicContact CD2-CD1 4.15Å; L93-L96 HydrophobicContact CD2-CD2 4.33Å; L93-L96 HydrophobicContact CD2-CG 4.33Å; L93-L112 HydrophobicContact CB-CD2 4.14Å; L93-L112 HydrophobicContact CD2-CD1 4.19Å; L93-L112 HydrophobicContact CD2-CD2 4.38Å; L93-N114 CarbonylContact O-C 3.16Å; L93-N114 VanDerWaalsContact O-C 3.29Å; L93-L115 VanDerWaalsContact O-CA 3.29Å; L93-L115 WeakPolarHBondContact O-CA 3.4Å; L93-L115 PolarHBondContact O-N 2.94Å; L93-L115 VanDerWaalsContact O-N 3.15Å | ||
| 94 | E | 84.2 | Confident | 91.1 | Very high | 96 Ų | 96 | 35 Ų | 35 | 45% | 0.449 | 18% | 0.181 | S | C | . | . | trans | -95.2 | -35.1 | 178.5 | -71.4 | 163.5 | 179 | 0 | 0 | 110.7 | T72 K92 T116 H117 | T72-E94 WeakPolarHBondContact O-CA 3.46Å; T72-E94 PolarHBondContact O-N 2.99Å; K92-E94 PolarHBondContact O-N 2.97Å; K92-E94 VanDerWaalsContact O-N 3.11Å; E94-T116 PolarHBondContact O-N 2.83Å; E94-T116 PolarHBondContact O-OG1 3.11Å; E94-H117 PolarHBondContact O-N 2.58Å | ||
| 95 | L | 91.2 | Very high | 91 | Very high | 29 Ų | 29 | 38 Ų | 38 | 15% | 0.152 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.7 | 177.7 | -171.1 | 152.5 | 0 | 0 | 0 | 111.6 | T72 W73 L74 N97 H117 F119 | T72-L95 PolarHBondContact O-N 3.27Å; W73-L95 WeakPolarHBondContact CA-O 3.27Å; W73-L95 HydrophobicContact CD2-CD2 4.34Å; W73-L95 HydrophobicContact CG-CB 4.29Å; W73-L95 HydrophobicContact CG-CD2 4.18Å; L74-L95 PolarHBondContact N-O 2.93Å; L95-N97 HydrophobicContact CD2-CB 4.26Å; L95-H117 WeakPolarHBondContact CA-O 3.48Å; L95-H117 HydrophobicContact CB-CB 4Å; L95-H117 HydrophobicContact CD1-CB 3.85Å; L95-H117 HydrophobicContact CG-CB 3.72Å; L95-F119 HydrophobicContact CD1-CE2 3.88Å; L95-F119 HydrophobicContact CD2-CD2 4.44Å; L95-F119 HydrophobicContact CD2-CE2 4.22Å; L95-F119 HydrophobicContact CG-CD2 4.48Å; L95-F119 HydrophobicContact CG-CE2 3.93Å |
| 96 | L | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.7 | 170.1 | 177.6 | 58.4 | 0 | 0 | 0 | 109.9 | L74 L87 L93 L98 M109 L112 L115 H117 F118 F119 | L74-L96 HydrophobicContact CB-CD1 4.11Å; L74-L96 HydrophobicContact CD2-CD1 3.92Å; L74-L96 HydrophobicContact CG-CD1 3.97Å; L87-L96 HydrophobicContact CD1-CD2 3.83Å; L93-L96 HydrophobicContact CD2-CB 3.83Å; L93-L96 HydrophobicContact CD2-CD1 4.15Å; L93-L96 HydrophobicContact CD2-CD2 4.33Å; L93-L96 HydrophobicContact CD2-CG 4.33Å; L96-L98 HydrophobicContact CD1-CD1 4.18Å; L96-L98 HydrophobicContact CD1-CG 3.98Å; L96-L98 HydrophobicContact CD2-CD1 3.85Å; L96-L98 HydrophobicContact CD2-CG 4.47Å; L96-L98 HydrophobicContact CG-CD1 4.01Å; L96-L98 HydrophobicContact CG-CG 4.08Å; L96-M109 HydrophobicContact CD2-CE 3.81Å; L96-L112 HydrophobicContact CD2-CD1 4.21Å; L96-L115 HydrophobicContact CB-CD1 3.78Å; L96-H117 PolarHBondContact N-O 3.34Å; L96-F118 HydrophobicContact CB-CD2 4.08Å; L96-F118 HydrophobicContact CD2-CD2 4.12Å; L96-F118 HydrophobicContact CD2-CE2 3.77Å; L96-F118 HydrophobicContact CG-CD2 4.14Å; L96-F118 HydrophobicContact CG-CE2 4.06Å; L96-F119 PolarHBondContact O-N 3.36Å |
| 97 | N | 88.8 | Confident | 91.3 | Very high | 33 Ų | 33 | 40.3 Ų | 40.3 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 115.1 | 172.3 | -174.6 | 3.2 | 0 | 0 | 0 | 110.7 | L74 N75 L76 S77 L95 A99 F119 | L74-N97 PolarHBondContact O-N 2.88Å; N75-N97 HydrophobicContact CB-CB 4.45Å; N75-N97 PolarHBondContact OD1-ND2 3.31Å; L76-N97 CarbonylContact C-O 3.57Å; L76-N97 WeakPolarHBondContact CA-O 3.31Å; L76-N97 PolarHBondContact N-O 2.75Å; S77-N97 PolarHBondContact N-O 2.98Å; S77-N97 PolarHBondContact OG-ND2 2.93Å; L95-N97 HydrophobicContact CD2-CB 4.26Å; N97-A99 VanDerWaalsContact OD1-CB 3.29Å; N97-A99 WeakPolarHBondContact OD1-CB 3.48Å; N97-A99 PolarHBondContact OD1-N 2.89Å; N97-F119 HydrophobicContact CB-CB 4.27Å; N97-F119 HydrophobicContact CB-CD2 4.05Å; N97-F119 WeakPolarHBondContact OD1-CB 3.28Å |
| 98 | L | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -122.6 | 16.7 | 175.3 | -71.6 | 169.2 | 0 | 0 | 0 | 111.4 | I62 L76 I81 I84 L96 N101 I103 F118 F119 N123 | I62-L98 HydrophobicContact CD1-CD2 3.91Å; L76-L98 HydrophobicContact CB-CD2 3.64Å; L76-L98 HydrophobicContact CD1-CD2 3.95Å; L76-L98 HydrophobicContact CG-CD2 4.46Å; I81-L98 HydrophobicContact CD1-CD2 3.86Å; I84-L98 HydrophobicContact CD1-CD1 3.93Å; I84-L98 HydrophobicContact CG1-CD1 4.13Å; L96-L98 HydrophobicContact CD1-CD1 4.18Å; L96-L98 HydrophobicContact CD1-CG 3.98Å; L96-L98 HydrophobicContact CD2-CD1 3.85Å; L96-L98 HydrophobicContact CD2-CG 4.47Å; L96-L98 HydrophobicContact CG-CD1 4.01Å; L96-L98 HydrophobicContact CG-CG 4.08Å; L98-N101 WeakPolarHBondContact O-CB 3.41Å; L98-N101 PolarHBondContact O-ND2 2.75Å; L98-I103 HydrophobicContact CB-CD1 3.85Å; L98-I103 HydrophobicContact CD1-CD1 3.83Å; L98-I103 HydrophobicContact CD2-CD1 4.24Å; L98-I103 HydrophobicContact CG-CD1 4.2Å; L98-F118 HydrophobicContact CD1-CE2 4.25Å; L98-F119 CarbonylContact C-O 3.12Å; L98-F119 WeakPolarHBondContact CA-O 3.46Å; L98-F119 PolarHBondContact N-O 2.84Å; L98-N123 PolarHBondContact O-ND2 3.36Å | ||
| 99 | A | 88.1 | Confident | 91.3 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | trans | -59.9 | 149.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | S77 F78 N97 N101 F119 S121 | S77-A99 CarbonylContact C-O 3.58Å; S77-A99 WeakPolarHBondContact CA-O 3.19Å; S77-A99 WeakPolarHBondContact CB-O 3.4Å; F78-A99 PolarHBondContact N-O 3.19Å; N97-A99 VanDerWaalsContact OD1-CB 3.29Å; N97-A99 WeakPolarHBondContact OD1-CB 3.48Å; N97-A99 PolarHBondContact OD1-N 2.89Å; A99-N101 PolarHBondContact O-ND2 3.37Å; A99-F119 PolarHBondContact N-O 2.88Å; A99-S121 CarbonylContact C-O 3.52Å; A99-S121 WeakPolarHBondContact CA-O 3.45Å; A99-S121 WeakPolarHBondContact CB-OG 3.5Å | ||
| 100 | F | 89.4 | Confident | 91.2 | Very high | 95 Ų | 95 | 41.7 Ų | 41.7 | 42% | 0.417 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 55.3 | 63.5 | -176.4 | -59.9 | -94.4 | 0 | 0 | 0 | 112.5 | F78 N79 S121 K122 | F78-F100 VanDerWaalsContact CA-O 3.27Å; F78-F100 WeakPolarHBondContact CA-O 3.44Å; F78-F100 HydrophobicContact CD1-CB 3.66Å; F78-F100 HydrophobicContact CD1-CD1 4.2Å; F78-F100 HydrophobicContact CD1-CD2 4.16Å; F78-F100 AromaticContact CD1-CG 3.77Å; F78-F100 HydrophobicContact CD1-CG 3.77Å; F78-F100 HydrophobicContact CD2-CD2 4.42Å; F78-F100 HydrophobicContact CE1-CB 3.89Å; F78-F100 AromaticContact CE1-CD1 3.69Å; F78-F100 HydrophobicContact CE1-CD1 3.69Å; F78-F100 AromaticContact CE1-CD2 3.55Å; F78-F100 HydrophobicContact CE1-CD2 3.55Å; F78-F100 HydrophobicContact CE1-CE1 4.01Å; F78-F100 AromaticContact CE1-CE2 3.9Å; F78-F100 HydrophobicContact CE1-CE2 3.9Å; F78-F100 AromaticContact CE1-CG 3.43Å; F78-F100 HydrophobicContact CE1-CG 3.43Å; F78-F100 VanDerWaalsContact CE1-CG 3.43Å; F78-F100 HydrophobicContact CE1-CZ 4.11Å; F78-F100 AromaticContact CE2-CD2 3.84Å; F78-F100 HydrophobicContact CE2-CD2 3.84Å; F78-F100 HydrophobicContact CE2-CE2 4.24Å; F78-F100 HydrophobicContact CE2-CG 4.41Å; F78-F100 HydrophobicContact CG-CB 4Å; F78-F100 HydrophobicContact CG-CG 4.4Å; F78-F100 HydrophobicContact CZ-CB 4.41Å; F78-F100 HydrophobicContact CZ-CD1 4.31Å; F78-F100 AromaticContact CZ-CD2 3.36Å; F78-F100 HydrophobicContact CZ-CD2 3.36Å; F78-F100 HydrophobicContact CZ-CE1 4.41Å; F78-F100 AromaticContact CZ-CE2 3.51Å; F78-F100 HydrophobicContact CZ-CE2 3.51Å; F78-F100 AromaticContact CZ-CG 3.8Å; F78-F100 HydrophobicContact CZ-CG 3.8Å; F78-F100 HydrophobicContact CZ-CZ 4.04Å; F78-F100 PolarHBondContact N-O 2.93Å; N79-F100 PolarHBondContact N-O 3Å; N79-F100 VanDerWaalsContact N-O 3.08Å; F100-S121 PolarHBondContact N-O 3.28Å; F100-K122 VanDerWaalsContact CA-O 3.25Å; F100-K122 WeakPolarHBondContact CA-O 3.45Å; F100-K122 HydrophobicContact CD1-CB 3.78Å; F100-K122 HydrophobicContact CD1-CG 4.13Å; F100-K122 HydrophobicContact CD2-CB 4.36Å; F100-K122 HydrophobicContact CE1-CB 3.95Å; F100-K122 HydrophobicContact CE1-CG 3.75Å; F100-K122 HydrophobicContact CE2-CB 4.5Å; F100-K122 HydrophobicContact CE2-CG 4.33Å; F100-K122 HydrophobicContact CG-CB 4.01Å; F100-K122 HydrophobicContact CZ-CB 4.31Å; F100-K122 HydrophobicContact CZ-CG 3.86Å; F100-K122 PolarHBondContact N-O 3.41Å |
| 101 | N | 91.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -137.8 | -173.3 | 174.3 | -86.6 | -82.7 | 0 | 0 | 0 | 110 | L76 N79 K80 I81 L98 A99 I103 K122 N123 | L76-N101 PolarHBondContact O-ND2 2.83Å; N79-N101 WeakPolarHBondContact CA-OD1 3.5Å; N79-N101 WeakPolarHBondContact CB-OD1 3.32Å; N79-N101 PolarHBondContact O-OD1 3.39Å; K80-N101 PolarHBondContact N-OD1 3.35Å; I81-N101 HydrophobicContact CB-CB 4.38Å; I81-N101 VanDerWaalsContact CB-OD1 3.28Å; I81-N101 WeakPolarHBondContact CB-OD1 3.45Å; I81-N101 WeakPolarHBondContact CG1-OD1 3.17Å; I81-N101 PolarHBondContact N-OD1 2.85Å; L98-N101 WeakPolarHBondContact O-CB 3.41Å; L98-N101 PolarHBondContact O-ND2 2.75Å; A99-N101 PolarHBondContact O-ND2 3.37Å; N101-I103 HydrophobicContact CB-CD1 4.33Å; N101-I103 HydrophobicContact CB-CG1 4.25Å; N101-K122 PolarHBondContact N-O 3.03Å; N101-N123 WeakPolarHBondContact CA-OD1 3.35Å; N101-N123 WeakPolarHBondContact CB-OD1 3.46Å; N101-N123 WeakPolarHBondContact O-CA 3.5Å; N101-N123 PolarHBondContact O-OD1 3.02Å |
| 102 | N | 93.1 | Very high | 91.1 | Very high | 55 Ų | 55 | 36.8 Ų | 36.8 | 29% | 0.294 | 19% | 0.19 | S | C | . | . | trans | -107.4 | 23.7 | -177.9 | -67.3 | -26.3 | 0 | 0 | 0 | 112.8 | I81 E82 S104 Q124 | I81-N102 CarbonylContact O-C 3.31Å; I81-N102 VanDerWaalsContact O-CA 3.31Å; I81-N102 WeakPolarHBondContact O-CA 3.44Å; I81-N102 PolarHBondContact O-N 2.96Å; E82-N102 HydrophobicContact CG-CB 4.06Å; N102-S104 PolarHBondContact O-N 2.96Å; N102-Q124 PolarHBondContact OD1-NE2 3.1Å | ||
| 103 | I | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -72.2 | 126.6 | -171.7 | -57.5 | 165.4 | 0 | 0 | 0 | 110 | I81 I84 L98 N101 I120 N123 Q124 I125 | I81-I103 HydrophobicContact CG2-CD1 4.41Å; I81-I103 HydrophobicContact CG2-CG1 4.18Å; I81-I103 WeakPolarHBondContact O-CG1 3.38Å; I81-I103 PolarHBondContact O-N 3.48Å; I84-I103 HydrophobicContact CD1-CD1 4.2Å; I84-I103 HydrophobicContact CD1-CG2 4.18Å; I84-I103 HydrophobicContact CG1-CD1 3.9Å; I84-I103 HydrophobicContact CG1-CG1 4.43Å; I84-I103 HydrophobicContact CG1-CG2 3.99Å; L98-I103 HydrophobicContact CB-CD1 3.85Å; L98-I103 HydrophobicContact CD1-CD1 3.83Å; L98-I103 HydrophobicContact CD2-CD1 4.24Å; L98-I103 HydrophobicContact CG-CD1 4.2Å; N101-I103 HydrophobicContact CB-CD1 4.33Å; N101-I103 HydrophobicContact CB-CG1 4.25Å; I103-I120 HydrophobicContact CB-CD1 4.47Å; I103-I120 HydrophobicContact CD1-CD1 3.97Å; I103-I120 HydrophobicContact CD1-CG1 4.41Å; I103-I120 HydrophobicContact CG2-CD1 4.23Å; I103-N123 HydrophobicContact CB-CB 4.4Å; I103-N123 VanDerWaalsContact CB-OD1 3.25Å; I103-N123 WeakPolarHBondContact CB-OD1 3.31Å; I103-N123 WeakPolarHBondContact CG1-OD1 3.1Å; I103-N123 PolarHBondContact N-OD1 3.27Å; I103-Q124 CarbonylContact O-C 3.56Å; I103-Q124 VanDerWaalsContact O-C 3.31Å; I103-Q124 WeakPolarHBondContact O-CA 3.17Å; I103-Q124 PolarHBondContact O-N 3.02Å; I103-I125 WeakPolarHBondContact O-CG1 3.12Å; I103-I125 PolarHBondContact O-N 3.22Å | ||
| 104 | S | 92.3 | Very high | 90.8 | Very high | 53 Ų | 53 | 40.3 Ų | 40.3 | 37% | 0.371 | 21% | 0.209 | S | C | . | . | trans | -103.1 | -20.7 | 177.7 | 50.9 | 0 | 0 | 0 | 0 | 114.6 | N102 Q124 | N102-S104 PolarHBondContact O-N 2.96Å; S104-Q124 WeakPolarHBondContact CA-O 3.41Å | ||
| 105 | V | 92.2 | Very high | 91 | Very high | 68 Ų | 68 | 35.7 Ų | 35.7 | 41% | 0.412 | 19% | 0.188 | S | C | . | . | trans | -140.7 | 126.8 | -176.8 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | K107 | V105-K107 HydrophobicContact CB-CD 4.49Å; V105-K107 HydrophobicContact CG1-CD 3.95Å; V105-K107 HydrophobicContact CG1-CG 4.18Å | ||
| 106 | I | 93.1 | Very high | 90.2 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | trans | -83.4 | 119.5 | 171.1 | -42.5 | -178.7 | 0 | 0 | 0 | 109.2 | I84 M109 F118 I120 I125 C130 Y133 L134 I145 | I84-I106 HydrophobicContact CD1-CG2 4.32Å; I106-M109 HydrophobicContact CG2-SD 3.9Å; I106-F118 HydrophobicContact CD1-CE1 4.37Å; I106-F118 HydrophobicContact CG2-CE1 4.41Å; I106-F118 HydrophobicContact CG2-CZ 4.48Å; I106-I120 HydrophobicContact CD1-CD1 4.5Å; I106-I120 HydrophobicContact CG1-CD1 4.24Å; I106-I125 HydrophobicContact CD1-CD1 3.87Å; I106-I125 HydrophobicContact CG1-CD1 3.69Å; I106-C130 HydrophobicContact CB-CB 4.45Å; I106-C130 HydrophobicContact CD1-CB 4.03Å; I106-C130 HydrophobicContact CG1-CB 4.1Å; I106-Y133 HydrophobicContact CB-CD1 4.3Å; I106-Y133 HydrophobicContact CG2-CD1 3.74Å; I106-Y133 HydrophobicContact CG2-CE1 4.03Å; I106-L134 HydrophobicContact CD1-CD1 4.23Å; I106-L134 HydrophobicContact CD1-CD2 3.98Å; I106-L134 HydrophobicContact CD1-CG 4.24Å; I106-L134 HydrophobicContact CG2-CD2 4.01Å; I106-I145 HydrophobicContact CD1-CD1 4.22Å | ||
| 107 | K | 90.8 | Very high | 89.7 | Confident | 72 Ų | 72 | 38.8 Ų | 38.8 | 31% | 0.313 | 20% | 0.204 | S | C | . | . | trans | -168.6 | 176.4 | -178.5 | 57.3 | -177.5 | 176.6 | -169.9 | 0 | 109.2 | N83 I84 V105 M109 | N83-K107 PolarHBondContact OD1-NZ 2.69Å; I84-K107 WeakPolarHBondContact CB-O 3.42Å; V105-K107 HydrophobicContact CB-CD 4.49Å; V105-K107 HydrophobicContact CG1-CD 3.95Å; V105-K107 HydrophobicContact CG1-CG 4.18Å; K107-M109 VanDerWaalsContact C-N 3.34Å; K107-M109 PolarHBondContact O-N 2.93Å | ||
| 108 | N | 89.9 | Confident | 89.9 | Confident | 71 Ų | 71 | 37.2 Ų | 37.2 | 38% | 0.38 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 58.5 | 41.3 | 173 | -49.1 | -22.3 | 0 | 0 | 0 | 113.6 | I84 Y133 | I84-N108 PolarHBondContact O-ND2 2.79Å; N108-Y133 PolarHBondContact N-OH 3.41Å |
| 109 | M | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -133.5 | 10 | 179.9 | -68.7 | 171.3 | 62.2 | 0 | 0 | 111.8 | I84 L87 L96 I106 K107 T111 L112 L115 F118 Y133 F137 | I84-M109 HydrophobicContact CD1-SD 3.65Å; I84-M109 HydrophobicContact CG2-CG 3.65Å; I84-M109 HydrophobicContact CG2-SD 4.04Å; L87-M109 HydrophobicContact CD1-CG 4.18Å; L96-M109 HydrophobicContact CD2-CE 3.81Å; I106-M109 HydrophobicContact CG2-SD 3.9Å; K107-M109 VanDerWaalsContact C-N 3.34Å; K107-M109 PolarHBondContact O-N 2.93Å; M109-T111 PolarHBondContact O-N 2.81Å; M109-L112 HydrophobicContact CB-CD1 3.89Å; M109-L112 HydrophobicContact CB-CG 4.28Å; M109-L112 HydrophobicContact CE-CD1 3.93Å; M109-L112 HydrophobicContact CG-CD1 3.98Å; M109-L112 WeakPolarHBondContact O-CB 3.32Å; M109-L112 WeakPolarHBondContact O-CG 3.23Å; M109-L112 PolarHBondContact O-N 3.48Å; M109-L115 HydrophobicContact CE-CD2 3.77Å; M109-F118 HydrophobicContact CE-CD2 4.18Å; M109-F118 HydrophobicContact CE-CE1 4.24Å; M109-F118 HydrophobicContact CE-CE2 3.69Å; M109-F118 HydrophobicContact CE-CZ 3.71Å; M109-F118 HydrophobicContact SD-CE2 4.36Å; M109-F118 HydrophobicContact SD-CZ 4.01Å; M109-Y133 HydrophobicContact CB-CE1 4.16Å; M109-Y133 PolarHBondContact N-OH 3.17Å; M109-F137 HydrophobicContact CB-CE1 4.31Å; M109-F137 HydrophobicContact CB-CZ 3.71Å; M109-F137 HydrophobicContact CE-CE2 4.12Å; M109-F137 HydrophobicContact CE-CZ 3.87Å; M109-F137 WeakPolarHBondContact O-CE1 3.38Å | ||
| 110 | D | 88.6 | Confident | 89.9 | Confident | 71 Ų | 71 | 38.7 Ų | 38.7 | 38% | 0.38 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -16.4 | -168 | -68 | -87.8 | 0 | 0 | 0 | 114.9 | Y133 R136 | D110-Y133 PolarHBondContact N-OH 2.89Å; D110-Y133 WeakPolarHBondContact OD1-CE2 3.14Å; D110-Y133 PolarHBondContact OD2-OH 3.37Å; D110-R136 VanDerWaalsContact OD1-CD 3.23Å; D110-R136 WeakPolarHBondContact OD1-CD 3.29Å; D110-R136 IonicContact OD1-CZ 2.89Å; D110-R136 VanDerWaalsContact OD1-CZ 3.27Å; D110-R136 IonicContact OD1-NE 2.73Å; D110-R136 PolarHBondContact OD1-NE 3.23Å; D110-R136 IonicContact OD1-NH1 3.61Å; D110-R136 PolarHBondContact OD1-NH1 2.9Å |
| 111 | T | 90.2 | Very high | 89.9 | Confident | 21 Ų | 21 | 35.2 Ų | 35.2 | 13% | 0.129 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -4.8 | 177.7 | 64.6 | 0 | 0 | 0 | 0 | 114 | D88 M109 E113 | D88-T111 VanDerWaalsContact C-OG1 3.32Å; D88-T111 WeakPolarHBondContact CA-OG1 3.23Å; D88-T111 VanDerWaalsContact O-CB 3.32Å; D88-T111 WeakPolarHBondContact O-CB 3.29Å; D88-T111 WeakPolarHBondContact O-CG2 3.37Å; D88-T111 PolarHBondContact O-OG1 3.23Å; M109-T111 PolarHBondContact O-N 2.81Å; T111-E113 PolarHBondContact O-N 3.39Å |
| 112 | L | 91.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -82.2 | 50 | -177.6 | -51.8 | -175.4 | 0 | 0 | 0 | 111.7 | L87 L90 L93 L96 M109 N114 L115 F137 | L87-L112 HydrophobicContact CB-CD1 4.38Å; L87-L112 HydrophobicContact CB-CD2 4.44Å; L87-L112 HydrophobicContact CD1-CD1 4.16Å; L90-L112 HydrophobicContact CB-CD2 4Å; L90-L112 VanDerWaalsContact O-CD2 3.29Å; L90-L112 WeakPolarHBondContact O-CD2 3.24Å; L93-L112 HydrophobicContact CB-CD2 4.14Å; L93-L112 HydrophobicContact CD2-CD1 4.19Å; L93-L112 HydrophobicContact CD2-CD2 4.38Å; L96-L112 HydrophobicContact CD2-CD1 4.21Å; M109-L112 HydrophobicContact CB-CD1 3.89Å; M109-L112 HydrophobicContact CB-CG 4.28Å; M109-L112 HydrophobicContact CE-CD1 3.93Å; M109-L112 HydrophobicContact CG-CD1 3.98Å; M109-L112 WeakPolarHBondContact O-CB 3.32Å; M109-L112 WeakPolarHBondContact O-CG 3.23Å; M109-L112 PolarHBondContact O-N 3.48Å; L112-N114 PolarHBondContact O-N 2.86Å; L112-L115 HydrophobicContact CB-CB 4.31Å; L112-L115 VanDerWaalsContact O-CB 3.28Å; L112-L115 WeakPolarHBondContact O-CB 3.46Å; L112-L115 PolarHBondContact O-N 2.81Å; L112-F137 HydrophobicContact CB-CE1 4.05Å; L112-F137 WeakPolarHBondContact O-CD1 3.04Å | ||
| 113 | E | 87 | Confident | 89.8 | Confident | 111 Ų | 111 | 38.3 Ų | 38.3 | 52% | 0.519 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -19.2 | -174.5 | -63.5 | 163.6 | -133.3 | 0 | 0 | 113.7 | R91 T111 | R91-E113 IonicContact NH1-OE1 2.66Å; R91-E113 PolarHBondContact NH1-OE1 3.11Å; T111-E113 PolarHBondContact O-N 3.39Å |
| 114 | N | 85.3 | Confident | 89.7 | Confident | 51 Ų | 51 | 43 Ų | 43 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 0.7 | 179.4 | -70.1 | -62.5 | 0 | 0 | 0 | 114.6 | R91 L93 L112 T116 K139 | R91-N114 PolarHBondContact O-ND2 3.14Å; L93-N114 CarbonylContact O-C 3.16Å; L93-N114 VanDerWaalsContact O-C 3.29Å; L112-N114 PolarHBondContact O-N 2.86Å; N114-T116 PolarHBondContact O-N 3.12Å; N114-T116 VanDerWaalsContact O-N 3.13Å; N114-K139 PolarHBondContact OD1-NZ 3Å |
| 115 | L | 89.8 | Confident | 89.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -63.5 | 114.3 | -175.2 | -166.5 | 67.5 | 0 | 0 | 0 | 111.3 | L93 L96 M109 L112 H117 F118 F137 K139 L140 | L93-L115 VanDerWaalsContact O-CA 3.29Å; L93-L115 WeakPolarHBondContact O-CA 3.4Å; L93-L115 PolarHBondContact O-N 2.94Å; L93-L115 VanDerWaalsContact O-N 3.15Å; L96-L115 HydrophobicContact CB-CD1 3.78Å; M109-L115 HydrophobicContact CE-CD2 3.77Å; L112-L115 HydrophobicContact CB-CB 4.31Å; L112-L115 VanDerWaalsContact O-CB 3.28Å; L112-L115 WeakPolarHBondContact O-CB 3.46Å; L112-L115 PolarHBondContact O-N 2.81Å; L115-H117 WeakPolarHBondContact CD1-O 3.32Å; L115-F118 HydrophobicContact CD2-CB 3.99Å; L115-F118 HydrophobicContact CD2-CD2 4.19Å; L115-F118 HydrophobicContact CD2-CG 4.1Å; L115-F118 HydrophobicContact CG-CB 4.41Å; L115-F137 HydrophobicContact CB-CD1 4.23Å; L115-F137 HydrophobicContact CD2-CD1 4.28Å; L115-F137 HydrophobicContact CD2-CD2 4.45Å; L115-F137 HydrophobicContact CD2-CE1 4.43Å; L115-F137 HydrophobicContact CD2-CG 4.32Å; L115-K139 CarbonylContact O-C 3.02Å; L115-K139 VanDerWaalsContact O-C 3.28Å; L115-L140 VanDerWaalsContact O-CA 3.31Å; L115-L140 WeakPolarHBondContact O-CA 3.33Å; L115-L140 PolarHBondContact O-N 2.92Å; L115-L140 VanDerWaalsContact O-N 3.13Å | ||
| 116 | T | 74.5 | Confident | 89.6 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | trans | -105.2 | -29.1 | 177.8 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | E94 N114 K139 F141 K142 | E94-T116 PolarHBondContact O-N 2.83Å; E94-T116 PolarHBondContact O-OG1 3.11Å; N114-T116 PolarHBondContact O-N 3.12Å; N114-T116 VanDerWaalsContact O-N 3.13Å; T116-K139 WeakPolarHBondContact CA-O 3.29Å; T116-K139 HydrophobicContact CG2-CB 4.04Å; T116-F141 PolarHBondContact O-N 3.36Å; T116-K142 PolarHBondContact O-N 2.85Å | ||
| 117 | H | 84.7 | Confident | 89.3 | Confident | 56 Ų | 56 | 48.6 Ų | 48.6 | 26% | 0.259 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 117.8 | -177.2 | -67.1 | 77.3 | 0 | 0 | 0 | 109.8 | E94 L95 L96 L115 F119 K142 | E94-H117 PolarHBondContact O-N 2.58Å; L95-H117 WeakPolarHBondContact CA-O 3.48Å; L95-H117 HydrophobicContact CB-CB 4Å; L95-H117 HydrophobicContact CD1-CB 3.85Å; L95-H117 HydrophobicContact CG-CB 3.72Å; L96-H117 PolarHBondContact N-O 3.34Å; L115-H117 WeakPolarHBondContact CD1-O 3.32Å; H117-F119 HydrophobicContact CB-CE2 3.94Å; H117-F119 HydrophobicContact CB-CZ 4.4Å; H117-K142 WeakPolarHBondContact CA-O 3.41Å |
| 118 | F | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 119.9 | 177.2 | -173.1 | -137.8 | 0 | 0 | 0 | 111.3 | L96 L98 I106 M109 L115 I120 L134 L140 K142 L143 S144 | L96-F118 HydrophobicContact CB-CD2 4.08Å; L96-F118 HydrophobicContact CD2-CD2 4.12Å; L96-F118 HydrophobicContact CD2-CE2 3.77Å; L96-F118 HydrophobicContact CG-CD2 4.14Å; L96-F118 HydrophobicContact CG-CE2 4.06Å; L98-F118 HydrophobicContact CD1-CE2 4.25Å; I106-F118 HydrophobicContact CD1-CE1 4.37Å; I106-F118 HydrophobicContact CG2-CE1 4.41Å; I106-F118 HydrophobicContact CG2-CZ 4.48Å; M109-F118 HydrophobicContact CE-CD2 4.18Å; M109-F118 HydrophobicContact CE-CE1 4.24Å; M109-F118 HydrophobicContact CE-CE2 3.69Å; M109-F118 HydrophobicContact CE-CZ 3.71Å; M109-F118 HydrophobicContact SD-CE2 4.36Å; M109-F118 HydrophobicContact SD-CZ 4.01Å; L115-F118 HydrophobicContact CD2-CB 3.99Å; L115-F118 HydrophobicContact CD2-CD2 4.19Å; L115-F118 HydrophobicContact CD2-CG 4.1Å; L115-F118 HydrophobicContact CG-CB 4.41Å; F118-I120 HydrophobicContact CD1-CG2 4.25Å; F118-I120 HydrophobicContact CE1-CB 4.1Å; F118-I120 HydrophobicContact CE1-CD1 4.26Å; F118-I120 HydrophobicContact CE1-CG2 3.71Å; F118-I120 HydrophobicContact CE2-CB 4.29Å; F118-I120 HydrophobicContact CE2-CD1 4.43Å; F118-I120 HydrophobicContact CZ-CB 3.86Å; F118-I120 HydrophobicContact CZ-CD1 3.62Å; F118-I120 HydrophobicContact CZ-CG1 4.34Å; F118-I120 HydrophobicContact CZ-CG2 4.01Å; F118-L134 HydrophobicContact CD1-CD2 4.04Å; F118-L134 HydrophobicContact CE1-CD2 3.82Å; F118-L140 HydrophobicContact CB-CD1 3.61Å; F118-K142 PolarHBondContact N-O 3.21Å; F118-L143 HydrophobicContact CB-CD1 4.25Å; F118-L143 HydrophobicContact CD1-CD1 3.78Å; F118-L143 HydrophobicContact CG-CD1 4.41Å; F118-L143 CarbonylContact O-C 3.29Å; F118-L143 WeakPolarHBondContact O-CA 3.49Å; F118-S144 PolarHBondContact O-N 2.78Å |
| 119 | F | 88.5 | Confident | 88.6 | Confident | 38 Ų | 38 | 49.4 Ų | 49.4 | 17% | 0.167 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 116.2 | 177.6 | -49.6 | -91.8 | 0 | 0 | 0 | 108.9 | L95 L96 N97 L98 A99 H117 K142 S144 | L95-F119 HydrophobicContact CD1-CE2 3.88Å; L95-F119 HydrophobicContact CD2-CD2 4.44Å; L95-F119 HydrophobicContact CD2-CE2 4.22Å; L95-F119 HydrophobicContact CG-CD2 4.48Å; L95-F119 HydrophobicContact CG-CE2 3.93Å; L96-F119 PolarHBondContact O-N 3.36Å; N97-F119 HydrophobicContact CB-CB 4.27Å; N97-F119 HydrophobicContact CB-CD2 4.05Å; N97-F119 WeakPolarHBondContact OD1-CB 3.28Å; L98-F119 CarbonylContact C-O 3.12Å; L98-F119 WeakPolarHBondContact CA-O 3.46Å; L98-F119 PolarHBondContact N-O 2.84Å; A99-F119 PolarHBondContact N-O 2.88Å; H117-F119 HydrophobicContact CB-CE2 3.94Å; H117-F119 HydrophobicContact CB-CZ 4.4Å; F119-K142 HydrophobicContact CE1-CD 3.9Å; F119-K142 HydrophobicContact CE1-CG 4.34Å; F119-K142 HydrophobicContact CZ-CD 3.97Å; F119-S144 WeakPolarHBondContact CD1-OG 3.29Å |
| 120 | I | 94 | Very high | 88.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -138.7 | 21.2 | 177.7 | -165.4 | 157.5 | 0 | 0 | 0 | 111.3 | I84 I103 I106 F118 N123 I125 S144 I145 N148 | I84-I120 HydrophobicContact CD1-CD1 4.04Å; I103-I120 HydrophobicContact CB-CD1 4.47Å; I103-I120 HydrophobicContact CD1-CD1 3.97Å; I103-I120 HydrophobicContact CD1-CG1 4.41Å; I103-I120 HydrophobicContact CG2-CD1 4.23Å; I106-I120 HydrophobicContact CD1-CD1 4.5Å; I106-I120 HydrophobicContact CG1-CD1 4.24Å; F118-I120 HydrophobicContact CD1-CG2 4.25Å; F118-I120 HydrophobicContact CE1-CB 4.1Å; F118-I120 HydrophobicContact CE1-CD1 4.26Å; F118-I120 HydrophobicContact CE1-CG2 3.71Å; F118-I120 HydrophobicContact CE2-CB 4.29Å; F118-I120 HydrophobicContact CE2-CD1 4.43Å; F118-I120 HydrophobicContact CZ-CB 3.86Å; F118-I120 HydrophobicContact CZ-CD1 3.62Å; F118-I120 HydrophobicContact CZ-CG1 4.34Å; F118-I120 HydrophobicContact CZ-CG2 4.01Å; I120-N123 HydrophobicContact CG1-CB 4.29Å; I120-N123 PolarHBondContact O-ND2 3.01Å; I120-N123 VanDerWaalsContact O-ND2 3.15Å; I120-I125 HydrophobicContact CD1-CD1 3.98Å; I120-I125 HydrophobicContact CG1-CD1 4.06Å; I120-S144 CarbonylContact C-O 3.48Å; I120-S144 PolarHBondContact N-O 3.33Å; I120-I145 HydrophobicContact CG2-CB 4.31Å; I120-I145 HydrophobicContact CG2-CD1 4.05Å; I120-I145 HydrophobicContact CG2-CG1 3.97Å; I120-N148 PolarHBondContact O-ND2 3.33Å | ||
| 121 | S | 89.6 | Confident | 88 | Confident | 23 Ų | 23 | 46.6 Ų | 46.6 | 16% | 0.161 | 23% | 0.226 | C | C | . | . | trans | -57.4 | 155 | 171.4 | 48 | 0 | 0 | 0 | 0 | 111.8 | A99 F100 N123 S144 G146 | A99-S121 CarbonylContact C-O 3.52Å; A99-S121 WeakPolarHBondContact CA-O 3.45Å; A99-S121 WeakPolarHBondContact CB-OG 3.5Å; F100-S121 PolarHBondContact N-O 3.28Å; S121-N123 PolarHBondContact O-N 2.71Å; S121-N123 PolarHBondContact O-ND2 3.14Å; S121-N123 VanDerWaalsContact O-ND2 3.11Å; S121-S144 PolarHBondContact N-O 3.42Å; S121-G146 CarbonylContact C-O 3.19Å; S121-G146 WeakPolarHBondContact CA-O 3.18Å; S121-G146 WeakPolarHBondContact CB-O 3.44Å | ||
| 122 | K | 89 | Confident | 87.8 | Confident | 117 Ų | 117 | 46.9 Ų | 46.9 | 51% | 0.509 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 51.1 | 57.1 | -178.9 | -60.3 | -70.3 | 175.9 | -177.2 | 0 | 112.9 | F100 N101 G146 G147 | F100-K122 VanDerWaalsContact CA-O 3.25Å; F100-K122 WeakPolarHBondContact CA-O 3.45Å; F100-K122 HydrophobicContact CD1-CB 3.78Å; F100-K122 HydrophobicContact CD1-CG 4.13Å; F100-K122 HydrophobicContact CD2-CB 4.36Å; F100-K122 HydrophobicContact CE1-CB 3.95Å; F100-K122 HydrophobicContact CE1-CG 3.75Å; F100-K122 HydrophobicContact CE2-CB 4.5Å; F100-K122 HydrophobicContact CE2-CG 4.33Å; F100-K122 HydrophobicContact CG-CB 4.01Å; F100-K122 HydrophobicContact CZ-CB 4.31Å; F100-K122 HydrophobicContact CZ-CG 3.86Å; F100-K122 PolarHBondContact N-O 3.41Å; N101-K122 PolarHBondContact N-O 3.03Å; K122-G146 PolarHBondContact N-O 3.18Å; K122-G147 WeakPolarHBondContact CA-O 3.31Å |
| 123 | N | 93.1 | Very high | 87.7 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -124.4 | -168.8 | 172.3 | -87.7 | -91.8 | 0 | 0 | 0 | 109.9 | L98 N101 I103 I120 S121 N148 P149 | L98-N123 PolarHBondContact O-ND2 3.36Å; N101-N123 WeakPolarHBondContact CA-OD1 3.35Å; N101-N123 WeakPolarHBondContact CB-OD1 3.46Å; N101-N123 WeakPolarHBondContact O-CA 3.5Å; N101-N123 PolarHBondContact O-OD1 3.02Å; I103-N123 HydrophobicContact CB-CB 4.4Å; I103-N123 VanDerWaalsContact CB-OD1 3.25Å; I103-N123 WeakPolarHBondContact CB-OD1 3.31Å; I103-N123 WeakPolarHBondContact CG1-OD1 3.1Å; I103-N123 PolarHBondContact N-OD1 3.27Å; I120-N123 HydrophobicContact CG1-CB 4.29Å; I120-N123 PolarHBondContact O-ND2 3.01Å; I120-N123 VanDerWaalsContact O-ND2 3.15Å; S121-N123 PolarHBondContact O-N 2.71Å; S121-N123 PolarHBondContact O-ND2 3.14Å; S121-N123 VanDerWaalsContact O-ND2 3.11Å; N123-N148 VanDerWaalsContact CA-OD1 3.27Å; N123-N148 WeakPolarHBondContact CA-OD1 3.4Å; N123-N148 WeakPolarHBondContact CB-OD1 3.35Å; N123-N148 PolarHBondContact N-OD1 3.18Å; N123-N148 PolarHBondContact O-OD1 3.5Å; N123-P149 WeakPolarHBondContact O-CD 3.48Å |
| 124 | Q | 93.1 | Very high | 87.7 | Confident | 98 Ų | 98 | 43.4 Ų | 43.4 | 46% | 0.458 | 21% | 0.209 | S | C | . | . | trans | -110.8 | 29.9 | -173.2 | -59.4 | -175.7 | 19.4 | 0 | 0 | 113.1 | N102 I103 S104 E126 N148 | N102-Q124 PolarHBondContact OD1-NE2 3.1Å; I103-Q124 CarbonylContact O-C 3.56Å; I103-Q124 VanDerWaalsContact O-C 3.31Å; I103-Q124 WeakPolarHBondContact O-CA 3.17Å; I103-Q124 PolarHBondContact O-N 3.02Å; S104-Q124 WeakPolarHBondContact CA-O 3.41Å; Q124-E126 PolarHBondContact O-N 2.97Å; Q124-N148 PolarHBondContact N-OD1 3.12Å | ||
| 125 | I | 93.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | trans | -77.1 | 116.2 | -177.6 | -54.2 | 166 | 0 | 0 | 0 | 110.6 | I103 I106 I120 C130 N148 P149 F150 | I103-I125 WeakPolarHBondContact O-CG1 3.12Å; I103-I125 PolarHBondContact O-N 3.22Å; I106-I125 HydrophobicContact CD1-CD1 3.87Å; I106-I125 HydrophobicContact CG1-CD1 3.69Å; I120-I125 HydrophobicContact CD1-CD1 3.98Å; I120-I125 HydrophobicContact CG1-CD1 4.06Å; I125-C130 HydrophobicContact CG2-CB 4.24Å; I125-N148 HydrophobicContact CB-CB 4.13Å; I125-N148 VanDerWaalsContact CB-OD1 3.29Å; I125-N148 WeakPolarHBondContact CB-OD1 3.48Å; I125-N148 VanDerWaalsContact CG1-OD1 3.23Å; I125-N148 WeakPolarHBondContact CG1-OD1 3.41Å; I125-N148 PolarHBondContact N-OD1 3.14Å; I125-P149 VanDerWaalsContact O-CD 3.31Å; I125-P149 WeakPolarHBondContact O-CD 3.27Å; I125-F150 HydrophobicContact CB-CD1 4.03Å; I125-F150 HydrophobicContact CB-CE1 4.29Å; I125-F150 HydrophobicContact CG2-CD1 3.72Å; I125-F150 HydrophobicContact CG2-CE1 3.96Å; I125-F150 WeakPolarHBondContact O-CD1 3.25Å; I125-F150 PolarHBondContact O-N 2.99Å | ||
| 126 | E | 89.3 | Confident | 87.5 | Confident | 155 Ų | 155 | 49 Ų | 49 | 72% | 0.724 | 23% | 0.228 | S | C | * | . | trans | -97.3 | -27.4 | 177.7 | -65.6 | -177.8 | -177.7 | 0 | 0 | 113.7 | Q124 P149 F150 | Q124-E126 PolarHBondContact O-N 2.97Å; E126-P149 HydrophobicContact CG-CB 3.92Å; E126-P149 HydrophobicContact CG-CG 4.18Å; E126-F150 WeakPolarHBondContact O-CB 3.31Å | ||
| 127 | D | 86.7 | Confident | 88 | Confident | 90 Ų | 90 | 47.5 Ų | 47.5 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | trans | -89.6 | 117.5 | -174.1 | -175.7 | 10.3 | 0 | 0 | 0 | 112.4 | E129 C130 | D127-E129 PolarHBondContact O-N 3.08Å; D127-E129 WeakPolarHBondContact OD1-CB 3.34Å; D127-E129 WeakPolarHBondContact OD1-CG 3.46Å; D127-E129 PolarHBondContact OD1-N 3.09Å; D127-C130 WeakPolarHBondContact O-CB 3.07Å; D127-C130 PolarHBondContact O-N 2.86Å; D127-C130 PolarHBondContact O-SG 3.33Å | ||
| 128 | K | 82.6 | Confident | 87.9 | Confident | 77 Ų | 77 | 51.3 Ų | 51.3 | 34% | 0.335 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -26.7 | 174.6 | 75.1 | 172.5 | -172.5 | 77.3 | 0 | 112.9 | C130 V131 F150 Y159 E190 | K128-C130 PolarHBondContact O-N 2.97Å; K128-C130 VanDerWaalsContact O-N 3.14Å; K128-V131 WeakPolarHBondContact O-CG2 3.39Å; K128-V131 PolarHBondContact O-N 2.79Å; K128-F150 HydrophobicContact CB-CD2 4.23Å; K128-Y159 HydrophobicContact CB-CE1 4.04Å; K128-Y159 HydrophobicContact CD-CE1 4.39Å; K128-Y159 HydrophobicContact CD-CE2 4.21Å; K128-Y159 HydrophobicContact CG-CE1 4.34Å; K128-Y159 PolarHBondContact NZ-OH 3.13Å; K128-Y159 WeakPolarHBondContact O-CE1 3.3Å; K128-E190 IonicContact NZ-OE2 3.95Å |
| 129 | E | 83.4 | Confident | 87.2 | Confident | 83 Ų | 83 | 56.5 Ų | 56.5 | 39% | 0.388 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -10.5 | -177.2 | -55.3 | -73.4 | 122.7 | 0 | 0 | 111.7 | D127 V131 H132 Y159 | D127-E129 PolarHBondContact O-N 3.08Å; D127-E129 WeakPolarHBondContact OD1-CB 3.34Å; D127-E129 WeakPolarHBondContact OD1-CG 3.46Å; D127-E129 PolarHBondContact OD1-N 3.09Å; E129-V131 PolarHBondContact O-N 2.72Å; E129-V131 VanDerWaalsContact O-N 3.15Å; E129-H132 VanDerWaalsContact CD-CE1 3.47Å; E129-H132 VanDerWaalsContact O-CB 3.24Å; E129-H132 WeakPolarHBondContact O-CB 3.32Å; E129-H132 PolarHBondContact O-N 2.74Å; E129-H132 IonicContact OE1-CE1 3.95Å; E129-H132 IonicContact OE2-CE1 2.7Å; E129-H132 PolarHBondContact OE2-CE1 2.9Å; E129-H132 IonicContact OE2-ND1 2.7Å; E129-H132 PolarHBondContact OE2-ND1 3.27Å; E129-Y159 PolarHBondContact OE1-OH 3.27Å |
| 130 | C | 85.4 | Confident | 86.9 | Confident | 11 Ų | 11 | 54.7 Ų | 54.7 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.4 | -28 | 170.4 | 73 | 0 | 0 | 0 | 0 | 113.1 | I106 I125 D127 K128 H132 Y133 L134 | I106-C130 HydrophobicContact CB-CB 4.45Å; I106-C130 HydrophobicContact CD1-CB 4.03Å; I106-C130 HydrophobicContact CG1-CB 4.1Å; I125-C130 HydrophobicContact CG2-CB 4.24Å; D127-C130 WeakPolarHBondContact O-CB 3.07Å; D127-C130 PolarHBondContact O-N 2.86Å; D127-C130 PolarHBondContact O-SG 3.33Å; K128-C130 PolarHBondContact O-N 2.97Å; K128-C130 VanDerWaalsContact O-N 3.14Å; C130-H132 PolarHBondContact O-N 2.93Å; C130-Y133 WeakPolarHBondContact O-CB 3.21Å; C130-Y133 PolarHBondContact O-N 3.15Å; C130-L134 PolarHBondContact O-N 3.13Å |
| 131 | V | 85.1 | Confident | 86 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60 | -31.6 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | K128 E129 Y133 L134 M135 F150 Y159 V160 F163 I164 | K128-V131 WeakPolarHBondContact O-CG2 3.39Å; K128-V131 PolarHBondContact O-N 2.79Å; E129-V131 PolarHBondContact O-N 2.72Å; E129-V131 VanDerWaalsContact O-N 3.15Å; V131-Y133 VanDerWaalsContact C-N 3.3Å; V131-Y133 PolarHBondContact O-N 3.13Å; V131-L134 WeakPolarHBondContact O-CB 3.45Å; V131-L134 PolarHBondContact O-N 3.04Å; V131-M135 PolarHBondContact O-N 2.84Å; V131-F150 HydrophobicContact CG2-CE2 4.23Å; V131-F150 HydrophobicContact CG2-CZ 4.26Å; V131-Y159 HydrophobicContact CB-CD1 4.46Å; V131-Y159 HydrophobicContact CB-CE1 3.9Å; V131-Y159 HydrophobicContact CG1-CD1 4.5Å; V131-Y159 HydrophobicContact CG1-CE1 4.26Å; V131-Y159 HydrophobicContact CG2-CD1 4.12Å; V131-Y159 HydrophobicContact CG2-CE1 3.84Å; V131-V160 HydrophobicContact CG1-CG2 4.45Å; V131-V160 HydrophobicContact CG2-CG2 4.08Å; V131-F163 HydrophobicContact CG1-CB 3.8Å; V131-I164 HydrophobicContact CG1-CD1 3.99Å; V131-I164 HydrophobicContact CG1-CG1 3.87Å |
| 132 | H | 86.4 | Confident | 85.2 | Confident | 28 Ų | 28 | 57.1 Ų | 57.1 | 13% | 0.13 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.8 | -26.9 | 176.4 | -57.9 | 150.8 | 0 | 0 | 0 | 113 | E129 C130 M135 Y159 F163 L194 | E129-H132 VanDerWaalsContact CD-CE1 3.47Å; E129-H132 VanDerWaalsContact O-CB 3.24Å; E129-H132 WeakPolarHBondContact O-CB 3.32Å; E129-H132 PolarHBondContact O-N 2.74Å; E129-H132 IonicContact OE1-CE1 3.95Å; E129-H132 IonicContact OE2-CE1 2.7Å; E129-H132 PolarHBondContact OE2-CE1 2.9Å; E129-H132 IonicContact OE2-ND1 2.7Å; E129-H132 PolarHBondContact OE2-ND1 3.27Å; C130-H132 PolarHBondContact O-N 2.93Å; H132-M135 HydrophobicContact CB-SD 4.46Å; H132-M135 WeakPolarHBondContact O-CB 3.12Å; H132-Y159 PolarHBondContact CE1-OH 3.48Å; H132-Y159 PolarHBondContact NE2-OH 3.07Å; H132-F163 AromaticContact CD2-CD1 3.47Å; H132-F163 VanDerWaalsContact CD2-CD1 3.47Å; H132-F163 WeakPolarHBondContact CD2-CD1 3.26Å; H132-F163 AromaticContact CD2-CE1 3.83Å; H132-F163 AromaticContact CD2-CG 3.82Å; H132-F163 AromaticContact NE2-CD1 3.37Å; H132-F163 WeakPolarHBondContact NE2-CD1 3.37Å; H132-F163 AromaticContact NE2-CD2 3.99Å; H132-F163 AromaticContact NE2-CE1 3.25Å; H132-F163 VanDerWaalsContact NE2-CE1 3.25Å; H132-F163 WeakPolarHBondContact NE2-CE1 3.27Å; H132-F163 AromaticContact NE2-CE2 3.92Å; H132-F163 AromaticContact NE2-CG 3.75Å; H132-F163 AromaticContact NE2-CZ 3.55Å; H132-L194 HydrophobicContact CB-CD1 3.87Å; H132-L194 WeakPolarHBondContact CD2-CD1 3.39Å |
| 133 | Y | 88 | Confident | 85 | Confident | 38 Ų | 38 | 51.5 Ų | 51.5 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.5 | -39.9 | 171.2 | -176.5 | -100.8 | 0 | 0 | 0 | 111.1 | I106 N108 M109 D110 C130 V131 M135 R136 F137 | I106-Y133 HydrophobicContact CB-CD1 4.3Å; I106-Y133 HydrophobicContact CG2-CD1 3.74Å; I106-Y133 HydrophobicContact CG2-CE1 4.03Å; N108-Y133 PolarHBondContact N-OH 3.41Å; M109-Y133 HydrophobicContact CB-CE1 4.16Å; M109-Y133 PolarHBondContact N-OH 3.17Å; D110-Y133 PolarHBondContact N-OH 2.89Å; D110-Y133 WeakPolarHBondContact OD1-CE2 3.14Å; D110-Y133 PolarHBondContact OD2-OH 3.37Å; C130-Y133 WeakPolarHBondContact O-CB 3.21Å; C130-Y133 PolarHBondContact O-N 3.15Å; V131-Y133 VanDerWaalsContact C-N 3.3Å; V131-Y133 PolarHBondContact O-N 3.13Å; Y133-M135 PolarHBondContact O-N 2.82Å; Y133-M135 VanDerWaalsContact O-N 3.16Å; Y133-R136 WeakPolarHBondContact O-CB 3.16Å; Y133-R136 WeakPolarHBondContact O-CG 3.41Å; Y133-R136 PolarHBondContact O-N 3.07Å; Y133-R136 VanDerWaalsContact O-N 3.12Å; Y133-F137 HydrophobicContact CD1-CE2 4.49Å; Y133-F137 HydrophobicContact CE1-CE2 4.35Å; Y133-F137 HydrophobicContact CE1-CZ 4.18Å |
| 134 | L | 87.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -22.2 | 177.6 | -58.8 | -176.8 | 0 | 0 | 0 | 113.7 | I106 F118 C130 V131 R136 F137 L143 I145 I164 | I106-L134 HydrophobicContact CD1-CD1 4.23Å; I106-L134 HydrophobicContact CD1-CD2 3.98Å; I106-L134 HydrophobicContact CD1-CG 4.24Å; I106-L134 HydrophobicContact CG2-CD2 4.01Å; F118-L134 HydrophobicContact CD1-CD2 4.04Å; F118-L134 HydrophobicContact CE1-CD2 3.82Å; C130-L134 PolarHBondContact O-N 3.13Å; V131-L134 WeakPolarHBondContact O-CB 3.45Å; V131-L134 PolarHBondContact O-N 3.04Å; L134-R136 PolarHBondContact O-N 2.99Å; L134-F137 HydrophobicContact CB-CD2 4.45Å; L134-F137 HydrophobicContact CD2-CD2 4.04Å; L134-F137 HydrophobicContact CD2-CE2 3.81Å; L134-F137 WeakPolarHBondContact O-CD2 3.19Å; L134-F137 PolarHBondContact O-N 3.11Å; L134-L143 HydrophobicContact CD1-CD1 4.21Å; L134-L143 HydrophobicContact CD1-CD2 3.87Å; L134-I145 HydrophobicContact CD1-CD1 4.16Å; L134-I164 HydrophobicContact CB-CD1 3.5Å; L134-I164 HydrophobicContact CB-CG1 4.37Å; L134-I164 HydrophobicContact CD1-CD1 3.84Å; L134-I164 HydrophobicContact CG-CD1 4.31Å |
| 135 | M | 84.6 | Confident | 84.4 | Confident | 26 Ų | 26 | 46.9 Ų | 46.9 | 13% | 0.128 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -15.6 | 172.7 | -60 | -177.4 | 68.6 | 0 | 0 | 114 | V131 H132 Y133 K138 F163 L194 | V131-M135 PolarHBondContact O-N 2.84Å; H132-M135 HydrophobicContact CB-SD 4.46Å; H132-M135 WeakPolarHBondContact O-CB 3.12Å; Y133-M135 PolarHBondContact O-N 2.82Å; Y133-M135 VanDerWaalsContact O-N 3.16Å; M135-K138 WeakPolarHBondContact O-CE 3.44Å; M135-K138 PolarHBondContact O-NZ 3.16Å; M135-F163 WeakPolarHBondContact CE-O 3.44Å; M135-F163 HydrophobicContact CG-CB 4.44Å; M135-F163 WeakPolarHBondContact CG-O 3.28Å; M135-F163 HydrophobicContact SD-CB 4.22Å; M135-F163 HydrophobicContact SD-CD1 4.09Å; M135-L194 HydrophobicContact CE-CD2 3.66Å; M135-L194 HydrophobicContact SD-CD1 4.21Å; M135-L194 HydrophobicContact SD-CD2 3.63Å |
| 136 | R | 84.6 | Confident | 84.1 | Confident | 143 Ų | 143 | 47.8 Ų | 47.8 | 54% | 0.54 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -33.6 | 174.4 | -69.3 | 175.8 | 166.4 | -104.1 | -14 | 112.5 | D110 Y133 L134 K138 | D110-R136 VanDerWaalsContact OD1-CD 3.23Å; D110-R136 WeakPolarHBondContact OD1-CD 3.29Å; D110-R136 IonicContact OD1-CZ 2.89Å; D110-R136 VanDerWaalsContact OD1-CZ 3.27Å; D110-R136 IonicContact OD1-NE 2.73Å; D110-R136 PolarHBondContact OD1-NE 3.23Å; D110-R136 IonicContact OD1-NH1 3.61Å; D110-R136 PolarHBondContact OD1-NH1 2.9Å; Y133-R136 WeakPolarHBondContact O-CB 3.16Å; Y133-R136 WeakPolarHBondContact O-CG 3.41Å; Y133-R136 PolarHBondContact O-N 3.07Å; Y133-R136 VanDerWaalsContact O-N 3.12Å; L134-R136 PolarHBondContact O-N 2.99Å; R136-K138 PolarHBondContact O-N 2.93Å |
| 137 | F | 85.6 | Confident | 83.9 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 2% | 0.022 | 20% | 0.199 | C | C | . | . | trans | -79.4 | 80.8 | -175 | -54.4 | -58.8 | 0 | 0 | 0 | 111.9 | M109 L112 L115 Y133 L134 K139 L140 | M109-F137 HydrophobicContact CB-CE1 4.31Å; M109-F137 HydrophobicContact CB-CZ 3.71Å; M109-F137 HydrophobicContact CE-CE2 4.12Å; M109-F137 HydrophobicContact CE-CZ 3.87Å; M109-F137 WeakPolarHBondContact O-CE1 3.38Å; L112-F137 HydrophobicContact CB-CE1 4.05Å; L112-F137 WeakPolarHBondContact O-CD1 3.04Å; L115-F137 HydrophobicContact CB-CD1 4.23Å; L115-F137 HydrophobicContact CD2-CD1 4.28Å; L115-F137 HydrophobicContact CD2-CD2 4.45Å; L115-F137 HydrophobicContact CD2-CE1 4.43Å; L115-F137 HydrophobicContact CD2-CG 4.32Å; Y133-F137 HydrophobicContact CD1-CE2 4.49Å; Y133-F137 HydrophobicContact CE1-CE2 4.35Å; Y133-F137 HydrophobicContact CE1-CZ 4.18Å; L134-F137 HydrophobicContact CB-CD2 4.45Å; L134-F137 HydrophobicContact CD2-CD2 4.04Å; L134-F137 HydrophobicContact CD2-CE2 3.81Å; L134-F137 WeakPolarHBondContact O-CD2 3.19Å; L134-F137 PolarHBondContact O-N 3.11Å; F137-K139 PolarHBondContact O-N 3.15Å; F137-L140 HydrophobicContact CB-CB 3.71Å; F137-L140 HydrophobicContact CB-CD2 4.36Å; F137-L140 VanDerWaalsContact O-CB 3.31Å; F137-L140 WeakPolarHBondContact O-CB 3.35Å; F137-L140 PolarHBondContact O-N 2.87Å | ||
| 138 | K | 82.3 | Confident | 84 | Confident | 135 Ų | 135 | 37.4 Ų | 37.4 | 59% | 0.587 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -10.5 | -175.8 | -52.1 | -52.2 | -177.3 | -174.4 | 0 | 114.5 | M135 R136 N166 | M135-K138 WeakPolarHBondContact O-CE 3.44Å; M135-K138 PolarHBondContact O-NZ 3.16Å; R136-K138 PolarHBondContact O-N 2.93Å; K138-N166 PolarHBondContact O-ND2 2.98Å |
| 139 | K | 79.2 | Confident | 84.2 | Confident | 110 Ų | 110 | 36.2 Ų | 36.2 | 48% | 0.478 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -1.3 | 174 | -57.3 | -167.2 | -169.3 | 176.5 | 0 | 114.1 | N114 L115 T116 F137 F141 | N114-K139 PolarHBondContact OD1-NZ 3Å; L115-K139 CarbonylContact O-C 3.02Å; L115-K139 VanDerWaalsContact O-C 3.28Å; T116-K139 WeakPolarHBondContact CA-O 3.29Å; T116-K139 HydrophobicContact CG2-CB 4.04Å; F137-K139 PolarHBondContact O-N 3.15Å; K139-F141 PolarHBondContact O-N 2.8Å; K139-F141 VanDerWaalsContact O-N 3.16Å |
| 140 | L | 81.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -65.9 | 115.8 | -174.7 | -176.7 | 64.4 | 0 | 0 | 0 | 110.8 | L115 F118 F137 K142 N166 V167 | L115-L140 VanDerWaalsContact O-CA 3.31Å; L115-L140 WeakPolarHBondContact O-CA 3.33Å; L115-L140 PolarHBondContact O-N 2.92Å; L115-L140 VanDerWaalsContact O-N 3.13Å; F118-L140 HydrophobicContact CB-CD1 3.61Å; F137-L140 HydrophobicContact CB-CB 3.71Å; F137-L140 HydrophobicContact CB-CD2 4.36Å; F137-L140 VanDerWaalsContact O-CB 3.31Å; F137-L140 WeakPolarHBondContact O-CB 3.35Å; F137-L140 PolarHBondContact O-N 2.87Å; L140-K142 WeakPolarHBondContact CD1-O 3.33Å; L140-N166 CarbonylContact O-C 3.29Å; L140-N166 VanDerWaalsContact O-O 3.05Å; L140-V167 HydrophobicContact CD2-CG2 4.01Å; L140-V167 HydrophobicContact CG-CG2 3.84Å; L140-V167 PolarHBondContact O-N 2.85Å | ||
| 141 | F | 76.6 | Confident | 84.1 | Confident | 48 Ų | 48 | 32.8 Ų | 32.8 | 21% | 0.211 | 16% | 0.159 | C | C | . | . | trans | -112.5 | -47.2 | -171.4 | 169.9 | -91.4 | 0 | 0 | 0 | 111.9 | T116 K139 V167 I168 L169 F380 | T116-F141 PolarHBondContact O-N 3.36Å; K139-F141 PolarHBondContact O-N 2.8Å; K139-F141 VanDerWaalsContact O-N 3.16Å; F141-V167 WeakPolarHBondContact O-CA 3.29Å; F141-I168 HydrophobicContact CD2-CB 4.04Å; F141-I168 HydrophobicContact CD2-CD1 3.95Å; F141-I168 HydrophobicContact CD2-CG1 4.37Å; F141-I168 HydrophobicContact CE2-CB 3.66Å; F141-I168 HydrophobicContact CE2-CD1 3.64Å; F141-I168 HydrophobicContact CE2-CG1 4.16Å; F141-I168 HydrophobicContact CE2-CG2 3.93Å; F141-I168 HydrophobicContact CZ-CB 4.18Å; F141-I168 HydrophobicContact CZ-CG2 4.12Å; F141-I168 PolarHBondContact O-N 2.93Å; F141-L169 PolarHBondContact O-N 2.96Å; F141-F380 AromaticContact CE1-CE2 3.76Å; F141-F380 HydrophobicContact CE1-CE2 3.76Å; F141-F380 AromaticContact CE1-CZ 3.57Å; F141-F380 HydrophobicContact CE1-CZ 3.57Å; F141-F380 AromaticContact CZ-CE2 3.64Å; F141-F380 HydrophobicContact CZ-CE2 3.64Å; F141-F380 AromaticContact CZ-CZ 3.63Å; F141-F380 HydrophobicContact CZ-CZ 3.63Å | ||
| 142 | K | 71.9 | Confident | 83.5 | Confident | 25 Ų | 25 | 40.6 Ų | 40.6 | 11% | 0.109 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.8 | 174.1 | -171 | 173.4 | -169.4 | 173 | 0 | 109.7 | T116 H117 F118 F119 L140 L169 N172 | T116-K142 PolarHBondContact O-N 2.85Å; H117-K142 WeakPolarHBondContact CA-O 3.41Å; F118-K142 PolarHBondContact N-O 3.21Å; F119-K142 HydrophobicContact CE1-CD 3.9Å; F119-K142 HydrophobicContact CE1-CG 4.34Å; F119-K142 HydrophobicContact CZ-CD 3.97Å; L140-K142 WeakPolarHBondContact CD1-O 3.33Å; K142-L169 WeakPolarHBondContact CA-O 3.43Å; K142-L169 HydrophobicContact CB-CB 4.48Å; K142-L169 HydrophobicContact CD-CD2 3.76Å; K142-L169 HydrophobicContact CD-CG 4.43Å; K142-L169 HydrophobicContact CG-CB 4.2Å; K142-L169 HydrophobicContact CG-CD2 4.03Å; K142-L169 HydrophobicContact CG-CG 4.2Å; K142-N172 WeakPolarHBondContact CE-OD1 3.46Å; K142-N172 PolarHBondContact NZ-OD1 3.11Å |
| 143 | L | 85.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133.5 | 174.6 | 176.9 | 58.6 | 0 | 0 | 0 | 109 | F118 L134 I145 V160 I164 V167 L169 L170 D171 | F118-L143 HydrophobicContact CB-CD1 4.25Å; F118-L143 HydrophobicContact CD1-CD1 3.78Å; F118-L143 HydrophobicContact CG-CD1 4.41Å; F118-L143 CarbonylContact O-C 3.29Å; F118-L143 WeakPolarHBondContact O-CA 3.49Å; L134-L143 HydrophobicContact CD1-CD1 4.21Å; L134-L143 HydrophobicContact CD1-CD2 3.87Å; L143-I145 HydrophobicContact CD1-CB 4.42Å; L143-I145 HydrophobicContact CG-CB 4.41Å; L143-I145 HydrophobicContact CG-CG2 4.48Å; L143-V160 HydrophobicContact CD2-CG1 3.95Å; L143-I164 HydrophobicContact CD2-CD1 3.83Å; L143-V167 HydrophobicContact CB-CG1 4.03Å; L143-V167 HydrophobicContact CB-CG2 3.96Å; L143-V167 HydrophobicContact CD2-CG2 4.39Å; L143-L169 PolarHBondContact N-O 2.92Å; L143-L170 HydrophobicContact CB-CD1 4.14Å; L143-L170 HydrophobicContact CD2-CD1 4.03Å; L143-L170 HydrophobicContact CG-CD1 3.97Å; L143-L170 CarbonylContact O-C 3.28Å; L143-L170 VanDerWaalsContact O-CA 3.29Å; L143-L170 WeakPolarHBondContact O-CA 3.31Å; L143-D171 PolarHBondContact O-N 2.96Å |
| 144 | S | 84.9 | Confident | 81.2 | Confident | 9 Ų | 9 | 51.6 Ų | 51.6 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 123.4 | 163.3 | -60.6 | 0 | 0 | 0 | 0 | 109 | F118 F119 I120 S121 D171 | F118-S144 PolarHBondContact O-N 2.78Å; F119-S144 WeakPolarHBondContact CD1-OG 3.29Å; I120-S144 CarbonylContact C-O 3.48Å; I120-S144 PolarHBondContact N-O 3.33Å; S121-S144 PolarHBondContact N-O 3.42Å; S144-D171 WeakPolarHBondContact CA-OD1 3.45Å; S144-D171 WeakPolarHBondContact CB-OD1 3.42Å |
| 145 | I | 88.8 | Confident | 80.4 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | trans | -138.4 | -9.7 | -174.8 | -164 | 151.3 | 0 | 0 | 0 | 112.4 | I106 I120 L134 L143 N148 F150 T151 L170 D171 | I106-I145 HydrophobicContact CD1-CD1 4.22Å; I120-I145 HydrophobicContact CG2-CB 4.31Å; I120-I145 HydrophobicContact CG2-CD1 4.05Å; I120-I145 HydrophobicContact CG2-CG1 3.97Å; L134-I145 HydrophobicContact CD1-CD1 4.16Å; L143-I145 HydrophobicContact CD1-CB 4.42Å; L143-I145 HydrophobicContact CG-CB 4.41Å; L143-I145 HydrophobicContact CG-CG2 4.48Å; I145-N148 PolarHBondContact O-ND2 3.3Å; I145-F150 HydrophobicContact CD1-CE1 3.76Å; I145-F150 HydrophobicContact CD1-CZ 3.6Å; I145-F150 HydrophobicContact CG1-CE1 3.7Å; I145-F150 HydrophobicContact CG1-CZ 3.71Å; I145-F150 HydrophobicContact CG2-CZ 4.45Å; I145-T151 HydrophobicContact CG1-CG2 4.48Å; I145-T151 HydrophobicContact CG2-CG2 4.27Å; I145-T151 WeakPolarHBondContact O-CG2 3.24Å; I145-L170 HydrophobicContact CG2-CD1 4.01Å; I145-D171 PolarHBondContact N-OD1 3.09Å; I145-D171 PolarHBondContact N-OD2 2.98Å | ||
| 146 | G | 86.3 | Confident | 80 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 149.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S121 K122 D171 | S121-G146 CarbonylContact C-O 3.19Å; S121-G146 WeakPolarHBondContact CA-O 3.18Å; S121-G146 WeakPolarHBondContact CB-O 3.44Å; K122-G146 PolarHBondContact N-O 3.18Å; G146-D171 PolarHBondContact N-OD1 3.07Å; G146-D171 PolarHBondContact N-OD2 3.15Å |
| 147 | G | 85.1 | Confident | 79.7 | Confident | 28 Ų | 28 | 51.6 Ų | 51.6 | 29% | 0.289 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 17.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K122 T151 | K122-G147 WeakPolarHBondContact CA-O 3.31Å; G147-T151 PolarHBondContact N-OG1 3Å |
| 148 | N | 87.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -88.6 | 152.9 | 157.8 | -79.9 | -89.3 | 0 | 0 | 0 | 110.4 | I120 N123 Q124 I125 I145 F150 T151 | I120-N148 PolarHBondContact O-ND2 3.33Å; N123-N148 VanDerWaalsContact CA-OD1 3.27Å; N123-N148 WeakPolarHBondContact CA-OD1 3.4Å; N123-N148 WeakPolarHBondContact CB-OD1 3.35Å; N123-N148 PolarHBondContact N-OD1 3.18Å; N123-N148 PolarHBondContact O-OD1 3.5Å; Q124-N148 PolarHBondContact N-OD1 3.12Å; I125-N148 HydrophobicContact CB-CB 4.13Å; I125-N148 VanDerWaalsContact CB-OD1 3.29Å; I125-N148 WeakPolarHBondContact CB-OD1 3.48Å; I125-N148 VanDerWaalsContact CG1-OD1 3.23Å; I125-N148 WeakPolarHBondContact CG1-OD1 3.41Å; I125-N148 PolarHBondContact N-OD1 3.14Å; I145-N148 PolarHBondContact O-ND2 3.3Å; N148-F150 VanDerWaalsContact C-N 3.26Å; N148-F150 HydrophobicContact CB-CD1 4.05Å; N148-F150 HydrophobicContact CB-CE1 4.28Å; N148-F150 PolarHBondContact O-N 2.77Å; N148-F150 VanDerWaalsContact O-N 3.11Å; N148-T151 HydrophobicContact CB-CG2 4.27Å; N148-T151 PolarHBondContact N-OG1 2.87Å; N148-T151 WeakPolarHBondContact O-CA 3.31Å; N148-T151 WeakPolarHBondContact O-CB 3.39Å; N148-T151 PolarHBondContact O-N 2.87Å; N148-T151 PolarHBondContact O-OG1 3.11Å |
| 149 | P | 88.2 | Confident | 79.5 | Confident | 51 Ų | 51 | 46.2 Ų | 46.2 | 33% | 0.331 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -51.1 | -35.7 | 178 | -30.3 | 34.6 | 0 | 0 | 0 | 115.8 | N123 I125 E126 T151 | N123-P149 WeakPolarHBondContact O-CD 3.48Å; I125-P149 VanDerWaalsContact O-CD 3.31Å; I125-P149 WeakPolarHBondContact O-CD 3.27Å; E126-P149 HydrophobicContact CG-CB 3.92Å; E126-P149 HydrophobicContact CG-CG 4.18Å; P149-T151 PolarHBondContact O-N 3.46Å |
| 150 | F | 84.6 | Confident | 79.7 | Confident | 13 Ų | 13 | 41.1 Ų | 41.1 | 6% | 0.057 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -70.8 | -19.9 | 176.7 | 92.5 | -94.1 | 0 | 0 | 0 | 113.8 | I125 E126 K128 V131 I145 N148 | I125-F150 HydrophobicContact CB-CD1 4.03Å; I125-F150 HydrophobicContact CB-CE1 4.29Å; I125-F150 HydrophobicContact CG2-CD1 3.72Å; I125-F150 HydrophobicContact CG2-CE1 3.96Å; I125-F150 WeakPolarHBondContact O-CD1 3.25Å; I125-F150 PolarHBondContact O-N 2.99Å; E126-F150 WeakPolarHBondContact O-CB 3.31Å; K128-F150 HydrophobicContact CB-CD2 4.23Å; V131-F150 HydrophobicContact CG2-CE2 4.23Å; V131-F150 HydrophobicContact CG2-CZ 4.26Å; I145-F150 HydrophobicContact CD1-CE1 3.76Å; I145-F150 HydrophobicContact CD1-CZ 3.6Å; I145-F150 HydrophobicContact CG1-CE1 3.7Å; I145-F150 HydrophobicContact CG1-CZ 3.71Å; I145-F150 HydrophobicContact CG2-CZ 4.45Å; N148-F150 VanDerWaalsContact C-N 3.26Å; N148-F150 HydrophobicContact CB-CD1 4.05Å; N148-F150 HydrophobicContact CB-CE1 4.28Å; N148-F150 PolarHBondContact O-N 2.77Å; N148-F150 VanDerWaalsContact O-N 3.11Å |
| 151 | T | 81.1 | Confident | 79.7 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -91.3 | 8.3 | -178.4 | 64 | 0 | 0 | 0 | 0 | 114.2 | I145 G147 N148 P149 Q156 | I145-T151 HydrophobicContact CG1-CG2 4.48Å; I145-T151 HydrophobicContact CG2-CG2 4.27Å; I145-T151 WeakPolarHBondContact O-CG2 3.24Å; G147-T151 PolarHBondContact N-OG1 3Å; N148-T151 HydrophobicContact CB-CG2 4.27Å; N148-T151 PolarHBondContact N-OG1 2.87Å; N148-T151 WeakPolarHBondContact O-CA 3.31Å; N148-T151 WeakPolarHBondContact O-CB 3.39Å; N148-T151 PolarHBondContact O-N 2.87Å; N148-T151 PolarHBondContact O-OG1 3.11Å; P149-T151 PolarHBondContact O-N 3.46Å; T151-Q156 PolarHBondContact O-NE2 3.17Å; T151-Q156 PolarHBondContact O-OE1 2.84Å |
| 152 | E | 72.9 | Confident | 79.9 | Confident | 164 Ų | 164 | 39.5 Ų | 39.5 | 77% | 0.766 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -85.9 | 4.9 | 173.8 | -59.1 | -169.6 | 158.9 | 0 | 0 | 113 | ||
| 153 | K | 68.4 | Low | 80.4 | Confident | 144 Ų | 144 | 38.3 Ų | 38.3 | 63% | 0.626 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -106.6 | 141.5 | -177.7 | -66.1 | 167.9 | -173.8 | 163 | 0 | 110.9 | ||
| 154 | D | 58.7 | Low | 80.2 | Confident | 154 Ų | 154 | 38.5 Ų | 38.5 | 82% | 0.824 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 160.1 | 164.4 | -58.6 | -50.6 | 0 | 0 | 0 | 110.7 | Q156 | D154-Q156 VanDerWaalsContact C-N 3.28Å; D154-Q156 PolarHBondContact O-N 3.19Å |
| 155 | D | 69.8 | Low | 79.4 | Confident | 77 Ų | 77 | 41.4 Ų | 41.4 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | -6.6 | -174.3 | -61.8 | -37 | 0 | 0 | 0 | 118.2 | S157 L158 Y159 K186 | D155-S157 VanDerWaalsContact C-N 3.27Å; D155-S157 PolarHBondContact O-N 2.99Å; D155-S157 VanDerWaalsContact O-N 3.11Å; D155-L158 WeakPolarHBondContact O-CB 3.21Å; D155-L158 PolarHBondContact O-N 2.9Å; D155-Y159 PolarHBondContact O-N 2.88Å; D155-K186 IonicContact OD1-NZ 2.99Å; D155-K186 PolarHBondContact OD1-NZ 3.01Å; D155-K186 VanDerWaalsContact OD2-CE 3.24Å; D155-K186 WeakPolarHBondContact OD2-CE 3.39Å; D155-K186 IonicContact OD2-NZ 2.65Å; D155-K186 PolarHBondContact OD2-NZ 3.32Å |
| 156 | Q | 77.4 | Confident | 78.7 | Confident | 58 Ų | 58 | 44.8 Ų | 44.8 | 27% | 0.271 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -50 | -41.3 | -178.6 | 60.8 | 176.6 | -46.3 | 0 | 0 | 115 | T151 D154 L158 Y159 V160 | T151-Q156 PolarHBondContact O-NE2 3.17Å; T151-Q156 PolarHBondContact O-OE1 2.84Å; D154-Q156 VanDerWaalsContact C-N 3.28Å; D154-Q156 PolarHBondContact O-N 3.19Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; Q156-L158 PolarHBondContact O-N 2.82Å; Q156-Y159 WeakPolarHBondContact O-CB 3.43Å; Q156-Y159 PolarHBondContact O-N 2.89Å; Q156-V160 WeakPolarHBondContact O-CG2 3.48Å; Q156-V160 PolarHBondContact O-N 3.12Å |
| 157 | S | 76.8 | Confident | 78.1 | Confident | 33 Ų | 33 | 43.9 Ų | 43.9 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.2 | -32.5 | -176.9 | -47.2 | 0 | 0 | 0 | 0 | 111.7 | D155 A161 | D155-S157 VanDerWaalsContact C-N 3.27Å; D155-S157 PolarHBondContact O-N 2.99Å; D155-S157 VanDerWaalsContact O-N 3.11Å; S157-A161 WeakPolarHBondContact O-CB 3.23Å; S157-A161 PolarHBondContact O-N 2.79Å |
| 158 | L | 80.4 | Confident | 77.2 | Confident | 16 Ų | 16 | 45.1 Ų | 45.1 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.9 | -41.6 | 171.7 | -62.5 | 174.2 | 0 | 0 | 0 | 110.5 | D155 Q156 A161 A162 M179 E182 A183 K186 Y187 | D155-L158 WeakPolarHBondContact O-CB 3.21Å; D155-L158 PolarHBondContact O-N 2.9Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; Q156-L158 PolarHBondContact O-N 2.82Å; L158-A161 PolarHBondContact O-N 3.11Å; L158-A162 WeakPolarHBondContact O-CB 3.49Å; L158-A162 PolarHBondContact O-N 2.82Å; L158-M179 HydrophobicContact CD2-CB 4.25Å; L158-M179 VanDerWaalsContact CD2-O 3.27Å; L158-M179 WeakPolarHBondContact CD2-O 3.48Å; L158-E182 HydrophobicContact CD1-CG 4.34Å; L158-E182 HydrophobicContact CD2-CB 4.32Å; L158-E182 HydrophobicContact CD2-CG 4.32Å; L158-A183 HydrophobicContact CB-CB 4.13Å; L158-A183 HydrophobicContact CD2-CB 4.23Å; L158-A183 WeakPolarHBondContact O-CB 3.46Å; L158-K186 HydrophobicContact CD1-CD 4.1Å; L158-Y187 HydrophobicContact CB-CE2 4.15Å |
| 159 | Y | 84.2 | Confident | 75.8 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.8 | -51.6 | 176.4 | -175 | -103.5 | 0 | 0 | 0 | 111.4 | K128 E129 V131 H132 D155 Q156 A161 A162 F163 Y187 | K128-Y159 HydrophobicContact CB-CE1 4.04Å; K128-Y159 HydrophobicContact CD-CE1 4.39Å; K128-Y159 HydrophobicContact CD-CE2 4.21Å; K128-Y159 HydrophobicContact CG-CE1 4.34Å; K128-Y159 PolarHBondContact NZ-OH 3.13Å; K128-Y159 WeakPolarHBondContact O-CE1 3.3Å; E129-Y159 PolarHBondContact OE1-OH 3.27Å; V131-Y159 HydrophobicContact CB-CD1 4.46Å; V131-Y159 HydrophobicContact CB-CE1 3.9Å; V131-Y159 HydrophobicContact CG1-CD1 4.5Å; V131-Y159 HydrophobicContact CG1-CE1 4.26Å; V131-Y159 HydrophobicContact CG2-CD1 4.12Å; V131-Y159 HydrophobicContact CG2-CE1 3.84Å; H132-Y159 PolarHBondContact CE1-OH 3.48Å; H132-Y159 PolarHBondContact NE2-OH 3.07Å; D155-Y159 PolarHBondContact O-N 2.88Å; Q156-Y159 WeakPolarHBondContact O-CB 3.43Å; Q156-Y159 PolarHBondContact O-N 2.89Å; Y159-A161 VanDerWaalsContact C-N 3.35Å; Y159-A161 PolarHBondContact O-N 3.45Å; Y159-A162 WeakPolarHBondContact O-CB 3.41Å; Y159-A162 PolarHBondContact O-N 3.18Å; Y159-F163 HydrophobicContact CD2-CD2 4Å; Y159-F163 AromaticContact CD2-CE2 3.68Å; Y159-F163 HydrophobicContact CD2-CE2 3.68Å; Y159-F163 HydrophobicContact CE1-CD2 4.4Å; Y159-F163 AromaticContact CE2-CD2 3.82Å; Y159-F163 HydrophobicContact CE2-CD2 3.82Å; Y159-F163 AromaticContact CE2-CE2 3.33Å; Y159-F163 HydrophobicContact CE2-CE2 3.33Å; Y159-F163 HydrophobicContact CE2-CZ 4.23Å; Y159-F163 HydrophobicContact CG-CD2 4.39Å; Y159-F163 HydrophobicContact CG-CE2 4.5Å; Y159-F163 AromaticContact CZ-CE2 3.89Å; Y159-F163 VanDerWaalsContact O-CD2 3.31Å; Y159-F163 WeakPolarHBondContact O-CD2 3.39Å; Y159-F163 PolarHBondContact O-N 3.37Å; Y159-Y187 AromaticContact CD2-CD1 3.93Å; Y159-Y187 HydrophobicContact CD2-CD1 3.93Å; Y159-Y187 AromaticContact CD2-CE1 3.67Å; Y159-Y187 HydrophobicContact CD2-CE1 3.67Å; Y159-Y187 HydrophobicContact CD2-CE2 4.4Å; Y159-Y187 HydrophobicContact CD2-CG 4.42Å; Y159-Y187 AromaticContact CD2-CZ 3.93Å; Y159-Y187 HydrophobicContact CE2-CD1 4.42Å; Y159-Y187 HydrophobicContact CE2-CE1 4.41Å |
| 160 | V | 82.4 | Confident | 75.3 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 177.3 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | V131 L143 Q156 A162 F163 I164 L170 | V131-V160 HydrophobicContact CG1-CG2 4.45Å; V131-V160 HydrophobicContact CG2-CG2 4.08Å; L143-V160 HydrophobicContact CD2-CG1 3.95Å; Q156-V160 WeakPolarHBondContact O-CG2 3.48Å; Q156-V160 PolarHBondContact O-N 3.12Å; V160-A162 VanDerWaalsContact C-N 3.31Å; V160-A162 PolarHBondContact O-N 2.93Å; V160-F163 PolarHBondContact O-N 2.96Å; V160-I164 HydrophobicContact CG1-CD1 4.02Å; V160-I164 HydrophobicContact CG1-CG1 4.41Å; V160-I164 PolarHBondContact O-N 3.44Å; V160-L170 HydrophobicContact CB-CD2 3.68Å; V160-L170 HydrophobicContact CG1-CD1 3.91Å; V160-L170 HydrophobicContact CG1-CD2 3.74Å; V160-L170 HydrophobicContact CG1-CG 4.44Å; V160-L170 HydrophobicContact CG2-CD2 4.29Å |
| 161 | A | 80.9 | Confident | 74.8 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -30.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | S157 L158 Y159 I175 A183 | S157-A161 WeakPolarHBondContact O-CB 3.23Å; S157-A161 PolarHBondContact O-N 2.79Å; L158-A161 PolarHBondContact O-N 3.11Å; Y159-A161 VanDerWaalsContact C-N 3.35Å; Y159-A161 PolarHBondContact O-N 3.45Å; A161-I175 HydrophobicContact CB-CD1 4Å; A161-I175 HydrophobicContact CB-CG1 4.49Å; A161-I175 HydrophobicContact CB-CG2 3.71Å; A161-A183 HydrophobicContact CB-CB 4.09Å |
| 162 | A | 81.5 | Confident | 73.9 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.8 | -46.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L158 Y159 V160 A183 Y187 L191 | L158-A162 WeakPolarHBondContact O-CB 3.49Å; L158-A162 PolarHBondContact O-N 2.82Å; Y159-A162 WeakPolarHBondContact O-CB 3.41Å; Y159-A162 PolarHBondContact O-N 3.18Å; V160-A162 VanDerWaalsContact C-N 3.31Å; V160-A162 PolarHBondContact O-N 2.93Å; A162-A183 HydrophobicContact CB-CB 4.03Å; A162-Y187 HydrophobicContact CB-CD2 3.77Å; A162-Y187 HydrophobicContact CB-CG 4.16Å; A162-L191 HydrophobicContact CB-CD1 4.24Å; A162-L191 WeakPolarHBondContact O-CD2 3.44Å |
| 163 | F | 81.9 | Confident | 73.6 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -90.1 | -29.1 | -171.1 | -70.5 | -80.1 | 0 | 0 | 0 | 114 | V131 H132 M135 Y159 V160 P165 Y187 E190 L191 L194 | V131-F163 HydrophobicContact CG1-CB 3.8Å; H132-F163 AromaticContact CD2-CD1 3.47Å; H132-F163 VanDerWaalsContact CD2-CD1 3.47Å; H132-F163 WeakPolarHBondContact CD2-CD1 3.26Å; H132-F163 AromaticContact CD2-CE1 3.83Å; H132-F163 AromaticContact CD2-CG 3.82Å; H132-F163 AromaticContact NE2-CD1 3.37Å; H132-F163 WeakPolarHBondContact NE2-CD1 3.37Å; H132-F163 AromaticContact NE2-CD2 3.99Å; H132-F163 AromaticContact NE2-CE1 3.25Å; H132-F163 VanDerWaalsContact NE2-CE1 3.25Å; H132-F163 WeakPolarHBondContact NE2-CE1 3.27Å; H132-F163 AromaticContact NE2-CE2 3.92Å; H132-F163 AromaticContact NE2-CG 3.75Å; H132-F163 AromaticContact NE2-CZ 3.55Å; M135-F163 WeakPolarHBondContact CE-O 3.44Å; M135-F163 HydrophobicContact CG-CB 4.44Å; M135-F163 WeakPolarHBondContact CG-O 3.28Å; M135-F163 HydrophobicContact SD-CB 4.22Å; M135-F163 HydrophobicContact SD-CD1 4.09Å; Y159-F163 HydrophobicContact CD2-CD2 4Å; Y159-F163 AromaticContact CD2-CE2 3.68Å; Y159-F163 HydrophobicContact CD2-CE2 3.68Å; Y159-F163 HydrophobicContact CE1-CD2 4.4Å; Y159-F163 AromaticContact CE2-CD2 3.82Å; Y159-F163 HydrophobicContact CE2-CD2 3.82Å; Y159-F163 AromaticContact CE2-CE2 3.33Å; Y159-F163 HydrophobicContact CE2-CE2 3.33Å; Y159-F163 HydrophobicContact CE2-CZ 4.23Å; Y159-F163 HydrophobicContact CG-CD2 4.39Å; Y159-F163 HydrophobicContact CG-CE2 4.5Å; Y159-F163 AromaticContact CZ-CE2 3.89Å; Y159-F163 VanDerWaalsContact O-CD2 3.31Å; Y159-F163 WeakPolarHBondContact O-CD2 3.39Å; Y159-F163 PolarHBondContact O-N 3.37Å; V160-F163 PolarHBondContact O-N 2.96Å; F163-P165 WeakPolarHBondContact O-CD 3.11Å; F163-Y187 HydrophobicContact CE2-CD1 4.45Å; F163-Y187 HydrophobicContact CE2-CG 4.27Å; F163-E190 HydrophobicContact CZ-CB 3.79Å; F163-L191 HydrophobicContact CD1-CD2 3.45Å; F163-L191 VanDerWaalsContact CD1-CD2 3.45Å; F163-L191 HydrophobicContact CD1-CG 4.23Å; F163-L191 HydrophobicContact CE1-CD2 3.56Å; F163-L191 HydrophobicContact CE1-CG 3.87Å; F163-L191 HydrophobicContact CG-CD2 4.12Å; F163-L191 HydrophobicContact CZ-CD2 4.28Å; F163-L191 HydrophobicContact CZ-CG 4.18Å; F163-L194 HydrophobicContact CD1-CD1 4.46Å; F163-L194 HydrophobicContact CE1-CD1 4.32Å |
| 164 | I | 81.6 | Confident | 73 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | trans | -113.1 | 80.9 | 179.5 | -40 | 178.4 | 0 | 0 | 0 | 111 | V131 L134 L143 V160 N166 V167 | V131-I164 HydrophobicContact CG1-CD1 3.99Å; V131-I164 HydrophobicContact CG1-CG1 3.87Å; L134-I164 HydrophobicContact CB-CD1 3.5Å; L134-I164 HydrophobicContact CB-CG1 4.37Å; L134-I164 HydrophobicContact CD1-CD1 3.84Å; L134-I164 HydrophobicContact CG-CD1 4.31Å; L143-I164 HydrophobicContact CD2-CD1 3.83Å; V160-I164 HydrophobicContact CG1-CD1 4.02Å; V160-I164 HydrophobicContact CG1-CG1 4.41Å; V160-I164 PolarHBondContact O-N 3.44Å; I164-N166 PolarHBondContact O-N 3.16Å; I164-V167 HydrophobicContact CB-CG2 4.16Å; I164-V167 HydrophobicContact CG2-CB 4.3Å; I164-V167 HydrophobicContact CG2-CG2 3.59Å; I164-V167 PolarHBondContact O-N 3.01Å | ||
| 165 | P | 69.2 | Low | 73.4 | Confident | 70 Ų | 70 | 37 Ų | 37 | 46% | 0.455 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -8.9 | -174.4 | 27.7 | -36.7 | 0 | 0 | 0 | 114.6 | F163 R180 | F163-P165 WeakPolarHBondContact O-CD 3.11Å; P165-R180 PolarHBondContact O-NH1 3.34Å; P165-R180 PolarHBondContact O-NH2 2.9Å |
| 166 | N | 73.1 | Confident | 73.2 | Confident | 73 Ų | 73 | 35.8 Ų | 35.8 | 39% | 0.39 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -16.2 | -177.2 | -61.5 | 5 | 0 | 0 | 0 | 112.3 | K138 L140 I164 I168 | K138-N166 PolarHBondContact O-ND2 2.98Å; L140-N166 CarbonylContact O-C 3.29Å; L140-N166 VanDerWaalsContact O-O 3.05Å; I164-N166 PolarHBondContact O-N 3.16Å; N166-I168 PolarHBondContact O-N 3.39Å |
| 167 | V | 73.4 | Confident | 72.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -71.4 | 125.9 | 171.8 | 171.9 | 0 | 0 | 0 | 0 | 109 | L140 F141 L143 I164 L170 I175 R180 | L140-V167 HydrophobicContact CD2-CG2 4.01Å; L140-V167 HydrophobicContact CG-CG2 3.84Å; L140-V167 PolarHBondContact O-N 2.85Å; F141-V167 WeakPolarHBondContact O-CA 3.29Å; L143-V167 HydrophobicContact CB-CG1 4.03Å; L143-V167 HydrophobicContact CB-CG2 3.96Å; L143-V167 HydrophobicContact CD2-CG2 4.39Å; I164-V167 HydrophobicContact CB-CG2 4.16Å; I164-V167 HydrophobicContact CG2-CB 4.3Å; I164-V167 HydrophobicContact CG2-CG2 3.59Å; I164-V167 PolarHBondContact O-N 3.01Å; V167-L170 HydrophobicContact CG1-CB 4.17Å; V167-I175 HydrophobicContact CB-CD1 4.49Å; V167-I175 HydrophobicContact CG1-CD1 3.94Å; V167-R180 PolarHBondContact O-NH2 2.8Å | ||
| 168 | I | 67 | Low | 72.2 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 27% | 0.272 | 24% | 0.238 | S | C | . | . | trans | -109 | -32.2 | 176.8 | -74.6 | 169.3 | 0 | 0 | 0 | 110.1 | F141 N166 L174 I175 | F141-I168 HydrophobicContact CD2-CB 4.04Å; F141-I168 HydrophobicContact CD2-CD1 3.95Å; F141-I168 HydrophobicContact CD2-CG1 4.37Å; F141-I168 HydrophobicContact CE2-CB 3.66Å; F141-I168 HydrophobicContact CE2-CD1 3.64Å; F141-I168 HydrophobicContact CE2-CG1 4.16Å; F141-I168 HydrophobicContact CE2-CG2 3.93Å; F141-I168 HydrophobicContact CZ-CB 4.18Å; F141-I168 HydrophobicContact CZ-CG2 4.12Å; F141-I168 PolarHBondContact O-N 2.93Å; N166-I168 PolarHBondContact O-N 3.39Å; I168-L174 HydrophobicContact CG2-CD1 3.63Å; I168-I175 PolarHBondContact O-N 2.89Å | ||
| 169 | L | 58.6 | Low | 71.7 | Confident | 29 Ų | 29 | 45 Ų | 45 | 15% | 0.152 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 111.7 | -179.9 | -170.7 | 61.4 | 0 | 0 | 0 | 109.9 | F141 K142 L143 N172 | F141-L169 PolarHBondContact O-N 2.96Å; K142-L169 WeakPolarHBondContact CA-O 3.43Å; K142-L169 HydrophobicContact CB-CB 4.48Å; K142-L169 HydrophobicContact CD-CD2 3.76Å; K142-L169 HydrophobicContact CD-CG 4.43Å; K142-L169 HydrophobicContact CG-CB 4.2Å; K142-L169 HydrophobicContact CG-CD2 4.03Å; K142-L169 HydrophobicContact CG-CG 4.2Å; L143-L169 PolarHBondContact N-O 2.92Å; L169-N172 VanDerWaalsContact CD1-C 3.47Å; L169-N172 WeakPolarHBondContact CD1-O 3.39Å |
| 170 | L | 77.6 | Confident | 71.3 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 116.1 | -178 | 175.8 | 62.5 | 0 | 0 | 0 | 110 | L143 I145 V160 V167 N172 I173 I175 | L143-L170 HydrophobicContact CB-CD1 4.14Å; L143-L170 HydrophobicContact CD2-CD1 4.03Å; L143-L170 HydrophobicContact CG-CD1 3.97Å; L143-L170 CarbonylContact O-C 3.28Å; L143-L170 VanDerWaalsContact O-CA 3.29Å; L143-L170 WeakPolarHBondContact O-CA 3.31Å; I145-L170 HydrophobicContact CG2-CD1 4.01Å; V160-L170 HydrophobicContact CB-CD2 3.68Å; V160-L170 HydrophobicContact CG1-CD1 3.91Å; V160-L170 HydrophobicContact CG1-CD2 3.74Å; V160-L170 HydrophobicContact CG1-CG 4.44Å; V160-L170 HydrophobicContact CG2-CD2 4.29Å; V167-L170 HydrophobicContact CG1-CB 4.17Å; L170-N172 PolarHBondContact O-N 3.43Å; L170-I173 PolarHBondContact N-O 3.05Å; L170-I173 WeakPolarHBondContact O-CA 3.42Å; L170-I173 WeakPolarHBondContact O-CB 3.27Å; L170-I173 PolarHBondContact O-N 2.9Å; L170-I175 HydrophobicContact CB-CD1 3.88Å; L170-I175 HydrophobicContact CB-CG1 4.07Å; L170-I175 HydrophobicContact CD2-CD1 4.23Å |
| 171 | D | 74.4 | Confident | 70.7 | Confident | 47 Ų | 47 | 54 Ų | 54 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 40.4 | -177.9 | -70.1 | -61.2 | 0 | 0 | 0 | 112.8 | L143 S144 I145 G146 I173 | L143-D171 PolarHBondContact O-N 2.96Å; S144-D171 WeakPolarHBondContact CA-OD1 3.45Å; S144-D171 WeakPolarHBondContact CB-OD1 3.42Å; I145-D171 PolarHBondContact N-OD1 3.09Å; I145-D171 PolarHBondContact N-OD2 2.98Å; G146-D171 PolarHBondContact N-OD1 3.07Å; G146-D171 PolarHBondContact N-OD2 3.15Å; D171-I173 PolarHBondContact O-N 3.21Å |
| 172 | N | 61.8 | Low | 70.5 | Confident | 101 Ų | 101 | 58.8 Ų | 58.8 | 54% | 0.54 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 7.2 | -173.2 | -61.3 | -30 | 0 | 0 | 0 | 115.8 | K142 L169 L170 | K142-N172 WeakPolarHBondContact CE-OD1 3.46Å; K142-N172 PolarHBondContact NZ-OD1 3.11Å; L169-N172 VanDerWaalsContact CD1-C 3.47Å; L169-N172 WeakPolarHBondContact CD1-O 3.39Å; L170-N172 PolarHBondContact O-N 3.43Å |
| 173 | I | 66.1 | Low | 70.5 | Confident | 93 Ų | 93 | 58.2 Ų | 58.2 | 48% | 0.477 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 131.4 | 170.4 | -55.1 | 174.7 | 0 | 0 | 0 | 109.9 | L170 D171 I175 | L170-I173 PolarHBondContact N-O 3.05Å; L170-I173 WeakPolarHBondContact O-CA 3.42Å; L170-I173 WeakPolarHBondContact O-CB 3.27Å; L170-I173 PolarHBondContact O-N 2.9Å; D171-I173 PolarHBondContact O-N 3.21Å; I173-I175 PolarHBondContact O-N 3.48Å |
| 174 | L | 56.8 | Low | 70.2 | Confident | 80 Ų | 80 | 60.3 Ų | 60.3 | 42% | 0.419 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 121.5 | 174.5 | 179.3 | 68.6 | 0 | 0 | 0 | 110.5 | I168 T176 | I168-L174 HydrophobicContact CG2-CD1 3.63Å; L174-T176 PolarHBondContact O-N 2.81Å |
| 175 | I | 67.3 | Low | 69.8 | Low | 11 Ų | 11 | 66.2 Ų | 66.2 | 6% | 0.056 | 35% | 0.349 | C | S | . | . | trans | -74.4 | 106.2 | 170.4 | -61.9 | 175.4 | 0 | 0 | 0 | 108.1 | A161 V167 I168 L170 I173 R180 | A161-I175 HydrophobicContact CB-CD1 4Å; A161-I175 HydrophobicContact CB-CG1 4.49Å; A161-I175 HydrophobicContact CB-CG2 3.71Å; V167-I175 HydrophobicContact CB-CD1 4.49Å; V167-I175 HydrophobicContact CG1-CD1 3.94Å; I168-I175 PolarHBondContact O-N 2.89Å; L170-I175 HydrophobicContact CB-CD1 3.88Å; L170-I175 HydrophobicContact CB-CG1 4.07Å; L170-I175 HydrophobicContact CD2-CD1 4.23Å; I173-I175 PolarHBondContact O-N 3.48Å; I175-R180 HydrophobicContact CG2-CB 4.32Å | ||
| 176 | T | 65.8 | Low | 70.4 | Confident | 50 Ų | 50 | 67.3 Ų | 67.3 | 31% | 0.307 | 35% | 0.347 | S | S | . | . | trans | -74.7 | 158.3 | 177 | 72 | 0 | 0 | 0 | 0 | 111.6 | L174 Q178 M179 R180 | L174-T176 PolarHBondContact O-N 2.81Å; T176-Q178 PolarHBondContact O-N 2.92Å; T176-M179 HydrophobicContact CG2-SD 4.18Å; T176-M179 PolarHBondContact O-N 3.27Å; T176-M179 VanDerWaalsContact OG1-CG 3.32Å; T176-M179 WeakPolarHBondContact OG1-CG 3.25Å; T176-M179 PolarHBondContact OG1-N 3.43Å; T176-M179 VanDerWaalsContact OG1-N 3.14Å; T176-R180 PolarHBondContact O-N 3.22Å; T176-R180 VanDerWaalsContact O-N 3.1Å | ||
| 177 | P | 64.4 | Low | 70.8 | Confident | 102 Ų | 102 | 65.5 Ų | 65.5 | 66% | 0.662 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -55.5 | -40 | 172.1 | -26 | 35.6 | 0 | 0 | 0 | 112.5 | R180 E181 | P177-R180 CarbonylContact O-C 3.59Å; P177-R180 WeakPolarHBondContact O-CA 3.19Å; P177-R180 WeakPolarHBondContact O-CB 3.06Å; P177-R180 PolarHBondContact O-N 2.88Å; P177-R180 VanDerWaalsContact O-N 3.13Å; P177-E181 PolarHBondContact O-N 3.39Å |
| 178 | Q | 67.6 | Low | 70.8 | Confident | 151 Ų | 151 | 72.7 Ų | 72.7 | 71% | 0.706 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.2 | -46.8 | 178.7 | -174 | -178.6 | 4.1 | 0 | 0 | 112.6 | T176 R180 E181 E182 | T176-Q178 PolarHBondContact O-N 2.92Å; Q178-R180 PolarHBondContact O-N 2.76Å; Q178-E181 PolarHBondContact O-N 2.89Å; Q178-E182 PolarHBondContact O-N 2.98Å |
| 179 | M | 70.3 | Confident | 71 | Confident | 48 Ų | 48 | 78.3 Ų | 78.3 | 24% | 0.236 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.2 | -35 | 173.9 | -71.2 | 168.5 | 69.3 | 0 | 0 | 111.4 | L158 T176 A183 | L158-M179 HydrophobicContact CD2-CB 4.25Å; L158-M179 VanDerWaalsContact CD2-O 3.27Å; L158-M179 WeakPolarHBondContact CD2-O 3.48Å; T176-M179 HydrophobicContact CG2-SD 4.18Å; T176-M179 PolarHBondContact O-N 3.27Å; T176-M179 VanDerWaalsContact OG1-CG 3.32Å; T176-M179 WeakPolarHBondContact OG1-CG 3.25Å; T176-M179 PolarHBondContact OG1-N 3.43Å; T176-M179 VanDerWaalsContact OG1-N 3.14Å; M179-A183 WeakPolarHBondContact O-CB 3.29Å; M179-A183 PolarHBondContact O-N 2.92Å |
| 180 | R | 74.7 | Confident | 71.8 | Confident | 73 Ų | 73 | 80.9 Ų | 80.9 | 28% | 0.275 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -74.8 | -34.6 | 179 | -168.5 | -179.9 | -71.3 | -158.9 | -12 | 112.9 | P165 V167 I175 T176 P177 Q178 A184 | P165-R180 PolarHBondContact O-NH1 3.34Å; P165-R180 PolarHBondContact O-NH2 2.9Å; V167-R180 PolarHBondContact O-NH2 2.8Å; I175-R180 HydrophobicContact CG2-CB 4.32Å; T176-R180 PolarHBondContact O-N 3.22Å; T176-R180 VanDerWaalsContact O-N 3.1Å; P177-R180 CarbonylContact O-C 3.59Å; P177-R180 WeakPolarHBondContact O-CA 3.19Å; P177-R180 WeakPolarHBondContact O-CB 3.06Å; P177-R180 PolarHBondContact O-N 2.88Å; P177-R180 VanDerWaalsContact O-N 3.13Å; Q178-R180 PolarHBondContact O-N 2.76Å; R180-A184 VanDerWaalsContact O-CB 3.23Å; R180-A184 WeakPolarHBondContact O-CB 3.48Å; R180-A184 PolarHBondContact O-N 3.22Å |
| 181 | E | 71.5 | Confident | 71.6 | Confident | 131 Ų | 131 | 82.6 Ų | 82.6 | 61% | 0.612 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.3 | -46.1 | 171.2 | -74.8 | 179 | -173.9 | 0 | 0 | 111.3 | P177 Q178 A183 A184 I185 | P177-E181 PolarHBondContact O-N 3.39Å; Q178-E181 PolarHBondContact O-N 2.89Å; E181-A183 PolarHBondContact O-N 3.01Å; E181-A184 PolarHBondContact O-N 3.36Å; E181-I185 VanDerWaalsContact O-CG1 3.27Å; E181-I185 WeakPolarHBondContact O-CG1 3.22Å; E181-I185 PolarHBondContact O-N 3.32Å |
| 182 | E | 76.2 | Confident | 71.6 | Confident | 101 Ų | 101 | 86.5 Ų | 86.5 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -56.6 | -49.5 | 173.4 | -176 | -177.1 | 174.7 | 0 | 0 | 111.1 | L158 Q178 A184 I185 K186 | L158-E182 HydrophobicContact CD1-CG 4.34Å; L158-E182 HydrophobicContact CD2-CB 4.32Å; L158-E182 HydrophobicContact CD2-CG 4.32Å; Q178-E182 PolarHBondContact O-N 2.98Å; E182-A184 PolarHBondContact O-N 3.04Å; E182-I185 PolarHBondContact O-N 3.34Å; E182-K186 VanDerWaalsContact O-CB 3.22Å; E182-K186 WeakPolarHBondContact O-CB 3.47Å; E182-K186 PolarHBondContact O-N 3.03Å |
| 183 | A | 81.8 | Confident | 72.3 | Confident | 0 Ų | 0 | 88.8 Ų | 88.8 | 0% | 0 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -56.8 | -47.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | L158 A161 A162 M179 E181 I185 K186 Y187 | L158-A183 HydrophobicContact CB-CB 4.13Å; L158-A183 HydrophobicContact CD2-CB 4.23Å; L158-A183 WeakPolarHBondContact O-CB 3.46Å; A161-A183 HydrophobicContact CB-CB 4.09Å; A162-A183 HydrophobicContact CB-CB 4.03Å; M179-A183 WeakPolarHBondContact O-CB 3.29Å; M179-A183 PolarHBondContact O-N 2.92Å; E181-A183 PolarHBondContact O-N 3.01Å; A183-I185 VanDerWaalsContact C-N 3.32Å; A183-I185 PolarHBondContact O-N 3Å; A183-K186 PolarHBondContact O-N 3.08Å; A183-Y187 WeakPolarHBondContact O-CD2 3.32Å; A183-Y187 PolarHBondContact O-N 2.99Å |
| 184 | A | 75.2 | Confident | 72.8 | Confident | 45 Ų | 45 | 85.4 Ų | 85.4 | 37% | 0.372 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.1 | -30.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R180 E181 E182 K188 | R180-A184 VanDerWaalsContact O-CB 3.23Å; R180-A184 WeakPolarHBondContact O-CB 3.48Å; R180-A184 PolarHBondContact O-N 3.22Å; E181-A184 PolarHBondContact O-N 3.36Å; E182-A184 PolarHBondContact O-N 3.04Å; A184-K188 WeakPolarHBondContact O-CA 3.27Å; A184-K188 VanDerWaalsContact O-CB 3.32Å; A184-K188 WeakPolarHBondContact O-CB 3.48Å; A184-K188 PolarHBondContact O-N 3.46Å |
| 185 | I | 73.4 | Confident | 73.5 | Confident | 128 Ų | 128 | 86 Ų | 86 | 66% | 0.656 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -70.3 | -48.2 | 171 | -69 | 163.7 | 0 | 0 | 0 | 110 | E181 E182 A183 K188 | E181-I185 VanDerWaalsContact O-CG1 3.27Å; E181-I185 WeakPolarHBondContact O-CG1 3.22Å; E181-I185 PolarHBondContact O-N 3.32Å; E182-I185 PolarHBondContact O-N 3.34Å; A183-I185 VanDerWaalsContact C-N 3.32Å; A183-I185 PolarHBondContact O-N 3Å; I185-K188 WeakPolarHBondContact O-CB 3.37Å |
| 186 | K | 81.8 | Confident | 73.9 | Confident | 92 Ų | 92 | 90.7 Ų | 90.7 | 40% | 0.4 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | -175 | -170 | 165.4 | -176.3 | 158.6 | 0 | 113.1 | D155 L158 E182 A183 | D155-K186 IonicContact OD1-NZ 2.99Å; D155-K186 PolarHBondContact OD1-NZ 3.01Å; D155-K186 VanDerWaalsContact OD2-CE 3.24Å; D155-K186 WeakPolarHBondContact OD2-CE 3.39Å; D155-K186 IonicContact OD2-NZ 2.65Å; D155-K186 PolarHBondContact OD2-NZ 3.32Å; L158-K186 HydrophobicContact CD1-CD 4.1Å; E182-K186 VanDerWaalsContact O-CB 3.22Å; E182-K186 WeakPolarHBondContact O-CB 3.47Å; E182-K186 PolarHBondContact O-N 3.03Å; A183-K186 PolarHBondContact O-N 3.08Å |
| 187 | Y | 82.3 | Confident | 74.1 | Confident | 35 Ų | 35 | 91.7 Ų | 91.7 | 14% | 0.137 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 12.4 | -176.1 | -59.8 | -74.5 | 0 | 0 | 0 | 114.3 | L158 Y159 A162 F163 A183 F189 E190 L191 | L158-Y187 HydrophobicContact CB-CE2 4.15Å; Y159-Y187 AromaticContact CD2-CD1 3.93Å; Y159-Y187 HydrophobicContact CD2-CD1 3.93Å; Y159-Y187 AromaticContact CD2-CE1 3.67Å; Y159-Y187 HydrophobicContact CD2-CE1 3.67Å; Y159-Y187 HydrophobicContact CD2-CE2 4.4Å; Y159-Y187 HydrophobicContact CD2-CG 4.42Å; Y159-Y187 AromaticContact CD2-CZ 3.93Å; Y159-Y187 HydrophobicContact CE2-CD1 4.42Å; Y159-Y187 HydrophobicContact CE2-CE1 4.41Å; A162-Y187 HydrophobicContact CB-CD2 3.77Å; A162-Y187 HydrophobicContact CB-CG 4.16Å; F163-Y187 HydrophobicContact CE2-CD1 4.45Å; F163-Y187 HydrophobicContact CE2-CG 4.27Å; A183-Y187 WeakPolarHBondContact O-CD2 3.32Å; A183-Y187 PolarHBondContact O-N 2.99Å; Y187-F189 VanDerWaalsContact C-N 3.25Å; Y187-F189 PolarHBondContact O-N 3.31Å; Y187-E190 PolarHBondContact O-N 3Å; Y187-L191 PolarHBondContact O-N 3.17Å |
| 188 | K | 72.9 | Confident | 74.2 | Confident | 151 Ų | 151 | 89.9 Ų | 89.9 | 66% | 0.657 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -47.3 | -39.8 | -175.7 | -169.6 | 168.8 | -176.6 | 170.8 | 0 | 115.3 | A184 I185 K192 | A184-K188 WeakPolarHBondContact O-CA 3.27Å; A184-K188 VanDerWaalsContact O-CB 3.32Å; A184-K188 WeakPolarHBondContact O-CB 3.48Å; A184-K188 PolarHBondContact O-N 3.46Å; I185-K188 WeakPolarHBondContact O-CB 3.37Å; K188-K192 PolarHBondContact O-N 2.85Å |
| 189 | F | 70.3 | Confident | 74.1 | Confident | 172 Ų | 172 | 88.2 Ų | 88.2 | 75% | 0.754 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -77.4 | -39.3 | -177.7 | -173.6 | -95.6 | 0 | 0 | 0 | 112.5 | Y187 K192 K193 | Y187-F189 VanDerWaalsContact C-N 3.25Å; Y187-F189 PolarHBondContact O-N 3.31Å; F189-K192 PolarHBondContact O-N 3.34Å; F189-K193 PolarHBondContact O-N 3.31Å |
| 190 | E | 75.4 | Confident | 73.7 | Confident | 82 Ų | 82 | 88.8 Ų | 88.8 | 38% | 0.383 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.8 | -45.8 | 177 | -61.2 | -167.8 | 156.7 | 0 | 0 | 110.7 | K128 F163 Y187 K192 K193 L194 | K128-E190 IonicContact NZ-OE2 3.95Å; F163-E190 HydrophobicContact CZ-CB 3.79Å; Y187-E190 PolarHBondContact O-N 3Å; E190-K192 VanDerWaalsContact C-N 3.35Å; E190-K192 PolarHBondContact O-N 3.26Å; E190-K193 PolarHBondContact O-N 2.87Å; E190-L194 WeakPolarHBondContact O-CB 3.03Å; E190-L194 PolarHBondContact O-N 3.08Å |
| 191 | L | 73.8 | Confident | 72.9 | Confident | 42 Ų | 42 | 89.8 Ų | 89.8 | 22% | 0.22 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -53.7 | -47.4 | 174 | -79.8 | 168.4 | 0 | 0 | 0 | 112.6 | A162 F163 Y187 L194 L195 | A162-L191 HydrophobicContact CB-CD1 4.24Å; A162-L191 WeakPolarHBondContact O-CD2 3.44Å; F163-L191 HydrophobicContact CD1-CD2 3.45Å; F163-L191 VanDerWaalsContact CD1-CD2 3.45Å; F163-L191 HydrophobicContact CD1-CG 4.23Å; F163-L191 HydrophobicContact CE1-CD2 3.56Å; F163-L191 HydrophobicContact CE1-CG 3.87Å; F163-L191 HydrophobicContact CG-CD2 4.12Å; F163-L191 HydrophobicContact CZ-CD2 4.28Å; F163-L191 HydrophobicContact CZ-CG 4.18Å; Y187-L191 PolarHBondContact O-N 3.17Å; L191-L194 PolarHBondContact O-N 3Å; L191-L195 PolarHBondContact O-N 3.25Å |
| 192 | K | 73.8 | Confident | 72.1 | Confident | 129 Ų | 129 | 88.2 Ų | 88.2 | 56% | 0.561 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.5 | -49 | 179.4 | 179.5 | 176.4 | 170.8 | 179.5 | 0 | 111.7 | K188 F189 E190 L194 L195 E196 | K188-K192 PolarHBondContact O-N 2.85Å; F189-K192 PolarHBondContact O-N 3.34Å; E190-K192 VanDerWaalsContact C-N 3.35Å; E190-K192 PolarHBondContact O-N 3.26Å; K192-L194 PolarHBondContact O-N 2.94Å; K192-L195 PolarHBondContact O-N 2.9Å; K192-E196 WeakPolarHBondContact CE-OE1 3.47Å; K192-E196 IonicContact NZ-OE1 2.72Å; K192-E196 WeakPolarHBondContact O-CG 3.48Å; K192-E196 PolarHBondContact O-N 3.31Å; K192-E196 VanDerWaalsContact O-N 3.12Å |
| 193 | K | 77.3 | Confident | 71.1 | Confident | 148 Ų | 148 | 91.4 Ų | 91.4 | 64% | 0.643 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59 | -36.3 | 180 | -177.6 | -172.3 | 173.9 | -165.6 | 0 | 112 | F189 E190 S197 | F189-K193 PolarHBondContact O-N 3.31Å; E190-K193 PolarHBondContact O-N 2.87Å; K193-S197 PolarHBondContact O-N 3.3Å |
| 194 | L | 77.3 | Confident | 69.8 | Low | 22 Ų | 22 | 96.8 Ų | 96.8 | 12% | 0.115 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -76 | -37.1 | 178.6 | -179.6 | 146.3 | 0 | 0 | 0 | 112.8 | H132 M135 F163 E190 L191 K192 E196 S197 Q198 | H132-L194 HydrophobicContact CB-CD1 3.87Å; H132-L194 WeakPolarHBondContact CD2-CD1 3.39Å; M135-L194 HydrophobicContact CE-CD2 3.66Å; M135-L194 HydrophobicContact SD-CD1 4.21Å; M135-L194 HydrophobicContact SD-CD2 3.63Å; F163-L194 HydrophobicContact CD1-CD1 4.46Å; F163-L194 HydrophobicContact CE1-CD1 4.32Å; E190-L194 WeakPolarHBondContact O-CB 3.03Å; E190-L194 PolarHBondContact O-N 3.08Å; L191-L194 PolarHBondContact O-N 3Å; K192-L194 PolarHBondContact O-N 2.94Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 2.93Å; L194-S197 PolarHBondContact O-N 2.86Å; L194-S197 PolarHBondContact O-OG 3.18Å; L194-Q198 HydrophobicContact CD2-CG 4.37Å; L194-Q198 WeakPolarHBondContact O-CG 3.46Å; L194-Q198 PolarHBondContact O-N 3.42Å; L194-Q198 VanDerWaalsContact O-N 3.1Å |
| 195 | L | 71.7 | Confident | 68.6 | Low | 92 Ų | 92 | 98.6 Ų | 98.6 | 48% | 0.482 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 175.7 | -145.7 | 83.2 | 0 | 0 | 0 | 111.6 | L191 K192 S197 Q198 Q199 | L191-L195 PolarHBondContact O-N 3.25Å; K192-L195 PolarHBondContact O-N 2.9Å; L195-S197 VanDerWaalsContact C-N 3.34Å; L195-S197 PolarHBondContact O-N 2.92Å; L195-Q198 PolarHBondContact O-N 3.3Å; L195-Q199 WeakPolarHBondContact O-CG 3.48Å; L195-Q199 PolarHBondContact O-N 2.95Å |
| 196 | E | 74 | Confident | 67.1 | Low | 111 Ų | 111 | 99.3 Ų | 99.3 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.6 | -34.1 | 177.2 | -71.8 | 174 | 167 | 0 | 0 | 112.5 | K192 L194 | K192-E196 WeakPolarHBondContact CE-OE1 3.47Å; K192-E196 IonicContact NZ-OE1 2.72Å; K192-E196 WeakPolarHBondContact O-CG 3.48Å; K192-E196 PolarHBondContact O-N 3.31Å; K192-E196 VanDerWaalsContact O-N 3.12Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 2.93Å |
| 197 | S | 70.4 | Confident | 65.2 | Low | 71 Ų | 71 | 102.5 Ų | 102.5 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.2 | -37.7 | 176 | 67.7 | 0 | 0 | 0 | 0 | 113.1 | K193 L194 L195 Q199 A200 Q201 | K193-S197 PolarHBondContact O-N 3.3Å; L194-S197 PolarHBondContact O-N 2.86Å; L194-S197 PolarHBondContact O-OG 3.18Å; L195-S197 VanDerWaalsContact C-N 3.34Å; L195-S197 PolarHBondContact O-N 2.92Å; S197-Q199 PolarHBondContact O-N 2.89Å; S197-A200 WeakPolarHBondContact O-CB 3.39Å; S197-A200 PolarHBondContact O-N 2.93Å; S197-Q201 PolarHBondContact O-N 2.73Å |
| 198 | Q | 67.3 | Low | 63.3 | Low | 63 Ų | 63 | 104.5 Ų | 104.5 | 29% | 0.294 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 176.3 | -72.8 | -177.5 | -9.5 | 0 | 0 | 112.1 | L194 L195 A200 Q201 E202 | L194-Q198 HydrophobicContact CD2-CG 4.37Å; L194-Q198 WeakPolarHBondContact O-CG 3.46Å; L194-Q198 PolarHBondContact O-N 3.42Å; L194-Q198 VanDerWaalsContact O-N 3.1Å; L195-Q198 PolarHBondContact O-N 3.3Å; Q198-A200 PolarHBondContact O-N 2.58Å; Q198-Q201 PolarHBondContact O-N 3.25Å; Q198-Q201 VanDerWaalsContact O-N 3.17Å; Q198-E202 PolarHBondContact O-N 3.45Å |
| 199 | Q | 65.1 | Low | 61.4 | Low | 117 Ų | 117 | 103.3 Ų | 103.3 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.5 | -20 | 177.3 | -70.5 | -178.2 | 11.4 | 0 | 0 | 114.3 | L195 S197 | L195-Q199 WeakPolarHBondContact O-CG 3.48Å; L195-Q199 PolarHBondContact O-N 2.95Å; S197-Q199 PolarHBondContact O-N 2.89Å |
| 200 | A | 61.5 | Low | 59.6 | Low | 60 Ų | 60 | 101.4 Ų | 101.4 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76.4 | -41.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S197 Q198 | S197-A200 WeakPolarHBondContact O-CB 3.39Å; S197-A200 PolarHBondContact O-N 2.93Å; Q198-A200 PolarHBondContact O-N 2.58Å |
| 201 | Q | 57.6 | Low | 57.3 | Low | 93 Ų | 93 | 104.5 Ų | 104.5 | 44% | 0.435 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.7 | -43 | -179.9 | -172.2 | 60.8 | 44.8 | 0 | 0 | 112.5 | S197 Q198 K203 I204 D205 | S197-Q201 PolarHBondContact O-N 2.73Å; Q198-Q201 PolarHBondContact O-N 3.25Å; Q198-Q201 VanDerWaalsContact O-N 3.17Å; Q201-K203 PolarHBondContact O-N 3.06Å; Q201-I204 WeakPolarHBondContact O-CB 3.41Å; Q201-I204 PolarHBondContact O-N 3.41Å; Q201-D205 PolarHBondContact NE2-OD1 3.06Å; Q201-D205 PolarHBondContact O-N 2.97Å |
| 202 | E | 54.7 | Low | 55 | Low | 98 Ų | 98 | 108 Ų | 108 | 46% | 0.458 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59 | -17.5 | -179.9 | -85.2 | -166.5 | -150.8 | 0 | 0 | 114.6 | Q198 K206 | Q198-E202 PolarHBondContact O-N 3.45Å; E202-K206 VanDerWaalsContact O-CD 3.22Å; E202-K206 WeakPolarHBondContact O-CD 3.38Å; E202-K206 WeakPolarHBondContact O-CE 3.46Å; E202-K206 VanDerWaalsContact O-CG 3.27Å; E202-K206 WeakPolarHBondContact O-CG 3.28Å; E202-K206 IonicContact OE2-NZ 3.56Å; E202-K206 PolarHBondContact OE2-NZ 2.88Å |
| 203 | K | 55.5 | Low | 52.5 | Low | 169 Ų | 169 | 106.9 Ų | 106.9 | 74% | 0.735 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -82.9 | -15.4 | 175.1 | -71.8 | 178.2 | 178.9 | 175.1 | 0 | 113.7 | Q201 | Q201-K203 PolarHBondContact O-N 3.06Å |
| 204 | I | 53.8 | Low | 50.1 | Low | 113 Ų | 113 | 106.3 Ų | 106.3 | 58% | 0.579 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -90.3 | -39.1 | 178.6 | -56.7 | 173.3 | 0 | 0 | 0 | 109.4 | Q201 | Q201-I204 WeakPolarHBondContact O-CB 3.41Å; Q201-I204 PolarHBondContact O-N 3.41Å |
| 205 | D | 49.9 | Very low | 48 | Very low | 83 Ų | 83 | 110.4 Ų | 110.4 | 44% | 0.444 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -81.4 | -20.2 | -170.2 | -54.1 | -21.8 | 0 | 0 | 0 | 113.7 | Q201 D207 | Q201-D205 PolarHBondContact NE2-OD1 3.06Å; Q201-D205 PolarHBondContact O-N 2.97Å; D205-D207 PolarHBondContact O-N 2.87Å |
| 206 | K | 43.8 | Very low | 45.7 | Very low | 143 Ų | 143 | 112 Ų | 112 | 62% | 0.622 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -13.6 | -172.2 | -78.9 | 173.5 | -170.1 | 164.5 | 0 | 115.7 | E202 A208 | E202-K206 VanDerWaalsContact O-CD 3.22Å; E202-K206 WeakPolarHBondContact O-CD 3.38Å; E202-K206 WeakPolarHBondContact O-CE 3.46Å; E202-K206 VanDerWaalsContact O-CG 3.27Å; E202-K206 WeakPolarHBondContact O-CG 3.28Å; E202-K206 IonicContact OE2-NZ 3.56Å; E202-K206 PolarHBondContact OE2-NZ 2.88Å; K206-A208 VanDerWaalsContact C-N 3.32Å |
| 207 | D | 41.7 | Very low | 43.4 | Very low | 158 Ų | 158 | 112.4 Ų | 112.4 | 85% | 0.845 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -0.9 | 178.5 | -70 | -20.4 | 0 | 0 | 0 | 113.3 | D205 | D205-D207 PolarHBondContact O-N 2.87Š|
| 208 | A | 41.3 | Very low | 41.2 | Very low | 78 Ų | 78 | 113.6 Ų | 113.6 | 65% | 0.645 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -106.7 | -17.8 | -159.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | K206 | K206-A208 VanDerWaalsContact C-N 3.32Š|
| 209 | V | 34 | Very low | 39.1 | Very low | 125 Ų | 125 | 114.9 Ų | 114.9 | 76% | 0.758 | 68% | 0.679 | S | S | * | * | trans | -138.5 | 115.2 | -168.5 | -171.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 210 | V | 32.2 | Very low | 37.1 | Very low | 132 Ų | 132 | 115.7 Ų | 115.7 | 80% | 0.8 | 69% | 0.687 | S | S | * | * | trans | -136.6 | 152.3 | 166.5 | 177.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 211 | D | 26.1 | Very low | 35.4 | Very low | 147 Ų | 147 | 121.4 Ų | 121.4 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | trans | 67 | 141.6 | -174 | -71.8 | -29.1 | 0 | 0 | 0 | 116.3 | ||||
| 212 | S | 25.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | cis | -156.8 | 178.8 | -10.5 | 51.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 213 | A | 22.6 | Very low | 32.3 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 87% | 0.868 | 73% | 0.728 | S | S | * | * | trans | -114 | 169.9 | -156.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 214 | V | 27.2 | Very low | 30.7 | Very low | 135 Ų | 135 | 121.8 Ų | 121.8 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | -89.7 | 164.1 | 172.5 | -125 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 215 | P | 32.6 | Very low | 29.2 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | -166.6 | 169.3 | 76.4 | 47 | -25.2 | 0 | 0 | 0 | 121.2 | |||||
| 216 | V | 24 | Very low | 27.9 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | 51.8 | 179.6 | 158.1 | -88.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 217 | T | 24.4 | Very low | 27.1 | Very low | 121 Ų | 121 | 121 Ų | 121 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | cis | -157.3 | 177.5 | 10.1 | 11.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 218 | S | 24.4 | Very low | 26.2 | Very low | 96 Ų | 96 | 120.2 Ų | 120.2 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | cis | 178.1 | 146.5 | -46.5 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 219 | A | 22.8 | Very low | 25.3 | Very low | 89 Ų | 89 | 123 Ų | 123 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | 72.1 | 166.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 220 | N | 24.7 | Very low | 24.9 | Very low | 134 Ų | 134 | 124.7 Ų | 124.7 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | cis | -170.7 | 153 | -1.5 | -132.2 | -7.8 | 0 | 0 | 0 | 113.8 | ||||
| 221 | K | 25.5 | Very low | 24.8 | Very low | 180 Ų | 180 | 124.5 Ų | 124.5 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | 66.5 | 157.9 | 141.4 | -80.8 | -170.6 | 176.6 | -162.6 | 0 | 122.5 | ||||
| 222 | V | 23.7 | Very low | 24.8 | Very low | 103 Ų | 103 | 121.4 Ų | 121.4 | 62% | 0.624 | 77% | 0.772 | S | S | * | * | cis | -172.9 | 166.7 | -15.9 | 81.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 223 | E | 22.5 | Very low | 25.1 | Very low | 178 Ų | 178 | 120.4 Ų | 120.4 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | 67.7 | 156.9 | 158.2 | -77.6 | 162.2 | -142.5 | 0 | 0 | 121.7 | ||||
| 224 | A | 22 | Very low | 25.6 | Very low | 87 Ų | 87 | 121.2 Ų | 121.2 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | cis | -168.4 | 165.7 | -12.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 225 | A | 22 | Very low | 26.2 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | 83.4 | 154.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 226 | S | 22.4 | Very low | 26.3 | Very low | 117 Ų | 117 | 119 Ų | 119 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -107.6 | -157.4 | -166.4 | -27.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 227 | P | 27.6 | Very low | 27.2 | Very low | 103 Ų | 103 | 121.4 Ų | 121.4 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | cis | -145.5 | -172.3 | 15 | 46.3 | -25.2 | 0 | 0 | 0 | 119.1 | ||||
| 228 | D | 22.4 | Very low | 28 | Very low | 142 Ų | 142 | 120.1 Ų | 120.1 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | 87.1 | 110.6 | 143.3 | -70.1 | -21.3 | 0 | 0 | 0 | 126.8 | ||||
| 229 | V | 23.6 | Very low | 28.5 | Very low | 136 Ų | 136 | 117.7 Ų | 117.7 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | 88.6 | 140.7 | 125.6 | 178.1 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 230 | L | 25.1 | Very low | 29.1 | Very low | 161 Ų | 161 | 118.5 Ų | 118.5 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | trans | -77.8 | -175.9 | -178.4 | -70.6 | 166.4 | 0 | 0 | 0 | 113.6 | ||||
| 231 | P | 30.5 | Very low | 29.7 | Very low | 128 Ų | 128 | 114.9 Ų | 114.9 | 83% | 0.831 | 71% | 0.712 | S | S | * | * | cis | -138.4 | 175.3 | 7.9 | 43.1 | -25.5 | 0 | 0 | 0 | 117.5 | ||||
| 232 | G | 25.2 | Very low | 30.5 | Very low | 81 Ų | 81 | 108 Ų | 108 | 84% | 0.835 | 69% | 0.685 | S | S | * | * | trans | 166.6 | 109.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 233 | A | 31.7 | Very low | 31.3 | Very low | 96 Ų | 96 | 105.7 Ų | 105.7 | 79% | 0.793 | 67% | 0.671 | S | S | * | * | trans | -139.6 | 147.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 234 | P | 34 | Very low | 32.1 | Very low | 122 Ų | 122 | 101 Ų | 101 | 79% | 0.792 | 66% | 0.658 | S | S | * | * | -147.6 | -159.2 | 74.7 | 38.2 | -17.2 | 0 | 0 | 0 | 112.9 | |||||
| 235 | P | 40.2 | Very low | 32.7 | Very low | 118 Ų | 118 | 101.1 Ų | 101.1 | 77% | 0.766 | 65% | 0.654 | S | S | * | * | S | Bend | -121.2 | 169.5 | -59.1 | 34 | -19.5 | 0 | 0 | 0 | 112 | |||
| 236 | A | 34 | Very low | 33.8 | Very low | 81 Ų | 81 | 99.7 Ų | 99.7 | 67% | 0.669 | 63% | 0.628 | S | S | * | * | cis | -158 | 141.9 | -24.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | I238 | A236-I238 PolarHBondContact O-N 2.97Š| ||
| 237 | Q | 42.7 | Very low | 34.3 | Very low | 174 Ų | 174 | 96.7 Ų | 96.7 | 81% | 0.813 | 60% | 0.603 | S | S | * | * | trans | -12.1 | 110.5 | 161.7 | -66.3 | 150.2 | -24.8 | 0 | 0 | 117.2 | ||||
| 238 | I | 40.3 | Very low | 34.6 | Very low | 93 Ų | 93 | 96.1 Ų | 96.1 | 48% | 0.477 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -82.8 | -21.5 | 171 | -66.2 | 174.9 | 0 | 0 | 0 | 111.9 | A236 R477 | A236-I238 PolarHBondContact O-N 2.97Å; I238-R477 PolarHBondContact O-NH1 3.37Å; I238-R477 PolarHBondContact O-NH2 3.05Å |
| 239 | Y | 34.8 | Very low | 35.2 | Very low | 46 Ų | 46 | 95.9 Ų | 95.9 | 18% | 0.18 | 59% | 0.59 | C | S | . | * | S | Bend | trans | -121.2 | 108.1 | 174.7 | -72.2 | -107.4 | 0 | 0 | 0 | 109.6 | Q301 R477 | Y239-Q301 HydrophobicContact CD2-CB 3.76Å; Y239-Q301 HydrophobicContact CD2-CG 3.56Å; Y239-Q301 HydrophobicContact CE2-CB 3.72Å; Y239-Q301 HydrophobicContact CE2-CG 3.77Å; Y239-Q301 HydrophobicContact CG-CB 4.41Å; Y239-Q301 HydrophobicContact CG-CG 4.47Å; Y239-R477 VanDerWaalsContact CE1-NH2 3.27Å; Y239-R477 VanDerWaalsContact CZ-NH2 3.28Å |
| 240 | P | 36.4 | Very low | 35.7 | Very low | 105 Ų | 105 | 91.2 Ų | 91.2 | 68% | 0.682 | 56% | 0.563 | S | S | * | * | trans | -78.2 | 115.6 | 161.9 | 30.3 | -29.5 | 0 | 0 | 0 | 108.9 | V242 | P240-V242 PolarHBondContact O-N 2.73Å; P240-V242 VanDerWaalsContact O-N 3.17Å | ||
| 241 | C | 36.4 | Very low | 36 | Very low | 59 Ų | 59 | 88.3 Ų | 88.3 | 40% | 0.399 | 55% | 0.548 | S | S | . | . | trans | -61.4 | 116.3 | 174.1 | -174.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 242 | V | 43.3 | Very low | 35.9 | Very low | 34 Ų | 34 | 91.5 Ų | 91.5 | 21% | 0.206 | 54% | 0.543 | C | S | . | . | S | Bend | trans | -70.4 | -40.8 | 178.6 | -178 | 0 | 0 | 0 | 0 | 110.3 | P240 S244 E469 | P240-V242 PolarHBondContact O-N 2.73Å; P240-V242 VanDerWaalsContact O-N 3.17Å; V242-S244 PolarHBondContact O-N 3.17Å; V242-E469 HydrophobicContact CG1-CB 4.28Å; V242-E469 WeakPolarHBondContact CG1-OE2 3.41Å |
| 243 | V | 40.8 | Very low | 36.1 | Very low | 55 Ų | 55 | 96.1 Ų | 96.1 | 33% | 0.333 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -62 | -45.3 | -172.1 | -171.1 | 0 | 0 | 0 | 0 | 113.1 | S245 K246 L247 | V243-S245 VanDerWaalsContact C-N 3.33Å; V243-S245 PolarHBondContact O-N 2.81Å; V243-S245 VanDerWaalsContact O-N 3.17Å; V243-K246 PolarHBondContact O-N 3.27Å; V243-L247 HydrophobicContact CG1-CD1 3.44Å; V243-L247 VanDerWaalsContact CG1-CD1 3.44Å; V243-L247 PolarHBondContact O-N 2.94Å |
| 244 | S | 37.9 | Very low | 36 | Very low | 81 Ų | 81 | 97.9 Ų | 97.9 | 57% | 0.566 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -67.3 | -23.9 | -161.4 | 69.8 | 0 | 0 | 0 | 0 | 115.8 | V242 T248 | V242-S244 PolarHBondContact O-N 3.17Å; S244-T248 PolarHBondContact O-OG1 2.97Å |
| 245 | S | 35.9 | Very low | 35.9 | Very low | 88 Ų | 88 | 98.4 Ų | 98.4 | 62% | 0.615 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -94.3 | -17.6 | -176.3 | 71.3 | 0 | 0 | 0 | 0 | 114.4 | V243 | V243-S245 VanDerWaalsContact C-N 3.33Å; V243-S245 PolarHBondContact O-N 2.81Å; V243-S245 VanDerWaalsContact O-N 3.17Å |
| 246 | K | 43.8 | Very low | 35.4 | Very low | 73 Ų | 73 | 97.7 Ų | 97.7 | 32% | 0.317 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -36.2 | -178.8 | -82.5 | -172.6 | 175 | -175.4 | 0 | 113.2 | V243 T248 K249 E465 E469 | V243-K246 PolarHBondContact O-N 3.27Å; K246-T248 PolarHBondContact O-N 2.94Å; K246-T248 VanDerWaalsContact O-N 3.17Å; K246-K249 WeakPolarHBondContact O-CA 3.37Å; K246-K249 VanDerWaalsContact O-CB 3.23Å; K246-K249 WeakPolarHBondContact O-CB 3.41Å; K246-K249 PolarHBondContact O-N 3.02Å; K246-E465 IonicContact NZ-OE1 2.69Å; K246-E465 PolarHBondContact NZ-OE1 3.15Å; K246-E469 WeakPolarHBondContact CD-OE2 3.27Å; K246-E469 VanDerWaalsContact CE-OE2 3.3Å; K246-E469 WeakPolarHBondContact CE-OE2 3.46Å; K246-E469 IonicContact NZ-OE1 2.73Å; K246-E469 IonicContact NZ-OE2 3.69Å; K246-E469 PolarHBondContact NZ-OE2 3.22Å |
| 247 | L | 34.8 | Very low | 35.1 | Very low | 55 Ų | 55 | 97.9 Ų | 97.9 | 29% | 0.288 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -66.3 | -19.3 | -177.3 | -119.5 | 142.9 | 0 | 0 | 0 | 113.1 | V243 K249 C250 F290 | V243-L247 HydrophobicContact CG1-CD1 3.44Å; V243-L247 VanDerWaalsContact CG1-CD1 3.44Å; V243-L247 PolarHBondContact O-N 2.94Å; L247-K249 PolarHBondContact O-N 2.96Å; L247-K249 VanDerWaalsContact O-N 3.12Å; L247-C250 HydrophobicContact CD2-CB 4Å; L247-C250 WeakPolarHBondContact O-CB 3.48Å; L247-C250 PolarHBondContact O-N 3.38Å; L247-F290 HydrophobicContact CD1-CE1 3.72Å; L247-F290 HydrophobicContact CD1-CZ 3.81Å; L247-F290 HydrophobicContact CD2-CE1 4.41Å; L247-F290 HydrophobicContact CD2-CE2 4.17Å; L247-F290 HydrophobicContact CD2-CZ 3.66Å; L247-F290 HydrophobicContact CG-CZ 4.38Å |
| 248 | T | 33.6 | Very low | 34.6 | Very low | 91 Ų | 91 | 98.8 Ų | 98.8 | 56% | 0.558 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -61.6 | -13.8 | 165.3 | -17.8 | 0 | 0 | 0 | 0 | 113.8 | S244 K246 | S244-T248 PolarHBondContact O-OG1 2.97Å; K246-T248 PolarHBondContact O-N 2.94Å; K246-T248 VanDerWaalsContact O-N 3.17Å |
| 249 | K | 34.7 | Very low | 34.1 | Very low | 137 Ų | 137 | 100 Ų | 100 | 60% | 0.596 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -88.6 | -22.9 | 169.4 | -60.9 | -179.4 | 179.7 | 176.1 | 0 | 113.4 | K246 L247 L251 R252 F253 | K246-K249 WeakPolarHBondContact O-CA 3.37Å; K246-K249 VanDerWaalsContact O-CB 3.23Å; K246-K249 WeakPolarHBondContact O-CB 3.41Å; K246-K249 PolarHBondContact O-N 3.02Å; L247-K249 PolarHBondContact O-N 2.96Å; L247-K249 VanDerWaalsContact O-N 3.12Å; K249-L251 PolarHBondContact O-N 3.39Å; K249-R252 WeakPolarHBondContact O-CA 3.44Å; K249-R252 WeakPolarHBondContact O-CB 3.08Å; K249-R252 PolarHBondContact O-N 3.01Å; K249-F253 PolarHBondContact O-N 3.3Å |
| 250 | C | 32.8 | Very low | 33.7 | Very low | 38 Ų | 38 | 103.4 Ų | 103.4 | 26% | 0.257 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61 | -39.9 | 172.8 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | L247 R252 F253 L254 | L247-C250 HydrophobicContact CD2-CB 4Å; L247-C250 WeakPolarHBondContact O-CB 3.48Å; L247-C250 PolarHBondContact O-N 3.38Å; C250-R252 PolarHBondContact O-N 2.95Å; C250-R252 VanDerWaalsContact O-N 3.09Å; C250-F253 PolarHBondContact O-N 2.97Å; C250-L254 PolarHBondContact O-N 3.3Å; C250-L254 VanDerWaalsContact O-N 3.15Å |
| 251 | L | 31.3 | Very low | 33.2 | Very low | 100 Ų | 100 | 106.9 Ų | 106.9 | 52% | 0.524 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.4 | -10.6 | 169 | -72 | 171.6 | 0 | 0 | 0 | 114.9 | K249 N255 | K249-L251 PolarHBondContact O-N 3.39Å; L251-N255 VanDerWaalsContact O-CB 3.27Å; L251-N255 WeakPolarHBondContact O-CB 3.31Å |
| 252 | R | 29.4 | Very low | 33 | Very low | 195 Ų | 195 | 108.9 Ų | 108.9 | 74% | 0.736 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -97 | -22.8 | 170.3 | -72.6 | -169.7 | 173.5 | -161.4 | -2.1 | 113.8 | K249 C250 V256 | K249-R252 WeakPolarHBondContact O-CA 3.44Å; K249-R252 WeakPolarHBondContact O-CB 3.08Å; K249-R252 PolarHBondContact O-N 3.01Å; C250-R252 PolarHBondContact O-N 2.95Å; C250-R252 VanDerWaalsContact O-N 3.09Å; R252-V256 WeakPolarHBondContact O-CG2 3.39Å |
| 253 | F | 28.8 | Very low | 32.6 | Very low | 178 Ų | 178 | 115.6 Ų | 115.6 | 78% | 0.781 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.3 | -46.6 | 173.5 | -104.2 | -89.2 | 0 | 0 | 0 | 111.3 | K249 C250 N255 V256 | K249-F253 PolarHBondContact O-N 3.3Å; C250-F253 PolarHBondContact O-N 2.97Å; F253-N255 PolarHBondContact O-N 2.92Å; F253-V256 PolarHBondContact O-N 3.07Å |
| 254 | L | 29.4 | Very low | 32.1 | Very low | 133 Ų | 133 | 118.7 Ų | 118.7 | 70% | 0.696 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -32.2 | 175.5 | -72.3 | 166.4 | 0 | 0 | 0 | 112.5 | C250 V256 | C250-L254 PolarHBondContact O-N 3.3Å; C250-L254 VanDerWaalsContact O-N 3.15Å; L254-V256 PolarHBondContact O-N 2.89Å |
| 255 | N | 32.3 | Very low | 31.9 | Very low | 133 Ų | 133 | 118 Ų | 118 | 71% | 0.711 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 14.3 | -178.5 | -156.2 | 4.3 | 0 | 0 | 0 | 114.1 | L251 F253 | L251-N255 VanDerWaalsContact O-CB 3.27Å; L251-N255 WeakPolarHBondContact O-CB 3.31Å; F253-N255 PolarHBondContact O-N 2.92Å |
| 256 | V | 29.2 | Very low | 31.8 | Very low | 102 Ų | 102 | 120.4 Ų | 120.4 | 62% | 0.618 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | -20.5 | 174.1 | 176.1 | 0 | 0 | 0 | 0 | 112.3 | R252 F253 L254 F258 | R252-V256 WeakPolarHBondContact O-CG2 3.39Å; F253-V256 PolarHBondContact O-N 3.07Å; L254-V256 PolarHBondContact O-N 2.89Å; V256-F258 PolarHBondContact O-N 2.89Å; V256-F258 VanDerWaalsContact O-N 3.13Å |
| 257 | A | 28 | Very low | 31.3 | Very low | 86 Ų | 86 | 121.4 Ų | 121.4 | 71% | 0.711 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -24.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 258 | F | 33.3 | Very low | 31.1 | Very low | 192 Ų | 192 | 121.6 Ų | 121.6 | 84% | 0.842 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 65.9 | 175.3 | -85.6 | -85.2 | 0 | 0 | 0 | 113 | V256 | V256-F258 PolarHBondContact O-N 2.89Å; V256-F258 VanDerWaalsContact O-N 3.13Å |
| 259 | T | 29.7 | Very low | 31.1 | Very low | 119 Ų | 119 | 121.2 Ų | 121.2 | 73% | 0.73 | 65% | 0.649 | S | S | * | * | trans | -152.8 | 91.1 | 158.6 | 8.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 260 | S | 24.9 | Very low | 31.1 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 83% | 0.825 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -145.5 | 101.2 | 160.7 | 45.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 261 | Q | 26.3 | Very low | 31.4 | Very low | 178 Ų | 178 | 124.8 Ų | 124.8 | 83% | 0.832 | 67% | 0.666 | S | S | * | * | trans | 61.2 | 74.1 | 157.2 | -60.5 | -171.5 | -7.6 | 0 | 0 | 119.7 | K263 | Q261-K263 VanDerWaalsContact C-N 3.31Å; Q261-K263 PolarHBondContact O-N 3.22Å | ||
| 262 | S | 33.8 | Very low | 31.5 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | S | Bend | 59.4 | 10.8 | 113.6 | 68.9 | 0 | 0 | 0 | 0 | 121.6 | |||
| 263 | K | 33 | Very low | 31.8 | Very low | 174 Ų | 174 | 120.5 Ų | 120.5 | 76% | 0.757 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -124 | -24 | 157.8 | -80.4 | -172 | 174.8 | -179.5 | 0 | 113.9 | Q261 | Q261-K263 VanDerWaalsContact C-N 3.31Å; Q261-K263 PolarHBondContact O-N 3.22Å |
| 264 | L | 31.2 | Very low | 32.5 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 63% | 0.634 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -72.5 | -27.7 | 166.8 | -98.2 | 164.3 | 0 | 0 | 0 | 112.6 | E266 L267 C268 | L264-E266 VanDerWaalsContact C-N 3.25Å; L264-E266 PolarHBondContact O-N 2.66Å; L264-L267 PolarHBondContact O-N 3.45Å; L264-C268 WeakPolarHBondContact O-CB 3.03Å; L264-C268 PolarHBondContact O-N 3.5Å; L264-C268 PolarHBondContact O-SG 2.89Å |
| 265 | A | 33.8 | Very low | 33 | Very low | 66 Ų | 66 | 117.2 Ų | 117.2 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -59.1 | -33.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L267 S269 | A265-L267 VanDerWaalsContact C-N 3.35Å; A265-S269 WeakPolarHBondContact O-CB 3.35Å; A265-S269 PolarHBondContact O-N 3.47Å; A265-S269 PolarHBondContact O-OG 2.91Å |
| 266 | E | 33.1 | Very low | 33.7 | Very low | 139 Ų | 139 | 112.2 Ų | 112.2 | 65% | 0.65 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -80.6 | -15.1 | 179.2 | -165.8 | 168.3 | -159.1 | 0 | 0 | 113 | L264 Q270 | L264-E266 VanDerWaalsContact C-N 3.25Å; L264-E266 PolarHBondContact O-N 2.66Å; E266-Q270 WeakPolarHBondContact O-CG 3.31Å; E266-Q270 PolarHBondContact O-NE2 2.9Å |
| 267 | L | 33.3 | Very low | 34.4 | Very low | 93 Ų | 93 | 113.1 Ų | 113.1 | 49% | 0.487 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -98.5 | -41.9 | 173.6 | -85.6 | 163.1 | 0 | 0 | 0 | 112.3 | L264 A265 S269 Q270 I271 | L264-L267 PolarHBondContact O-N 3.45Å; A265-L267 VanDerWaalsContact C-N 3.35Å; L267-S269 VanDerWaalsContact C-N 3.29Å; L267-S269 PolarHBondContact O-N 3.28Å; L267-Q270 CarbonylContact O-C 3.59Å; L267-Q270 WeakPolarHBondContact O-CA 3.45Å; L267-Q270 WeakPolarHBondContact O-CB 3.24Å; L267-Q270 PolarHBondContact O-N 3.45Å; L267-I271 WeakPolarHBondContact O-CG1 3.31Å; L267-I271 PolarHBondContact O-N 3.42Å |
| 268 | C | 30.4 | Very low | 35.2 | Very low | 59 Ų | 59 | 113.8 Ų | 113.8 | 40% | 0.399 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.1 | -40.8 | 173.9 | -64.9 | 0 | 0 | 0 | 0 | 110.9 | L264 Q270 I271 F272 | L264-C268 WeakPolarHBondContact O-CB 3.03Å; L264-C268 PolarHBondContact O-N 3.5Å; L264-C268 PolarHBondContact O-SG 2.89Å; C268-Q270 PolarHBondContact O-N 3.14Å; C268-I271 PolarHBondContact O-N 3.08Å; C268-F272 CarbonylContact O-C 3.26Å; C268-F272 VanDerWaalsContact O-C 3.26Å; C268-F272 PolarHBondContact O-N 2.88Å |
| 269 | S | 35.3 | Very low | 35.5 | Very low | 84 Ų | 84 | 110.6 Ų | 110.6 | 59% | 0.587 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.2 | -7.8 | 173 | 51.9 | 0 | 0 | 0 | 0 | 115 | A265 L267 | A265-S269 WeakPolarHBondContact O-CB 3.35Å; A265-S269 PolarHBondContact O-N 3.47Å; A265-S269 PolarHBondContact O-OG 2.91Å; L267-S269 VanDerWaalsContact C-N 3.29Å; L267-S269 PolarHBondContact O-N 3.28Å |
| 270 | Q | 34.6 | Very low | 36.3 | Very low | 149 Ų | 149 | 108.6 Ų | 108.6 | 70% | 0.696 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -107.2 | -7.9 | 172.9 | -64.2 | -178.2 | 45.5 | 0 | 0 | 113.8 | E266 L267 C268 | E266-Q270 WeakPolarHBondContact O-CG 3.31Å; E266-Q270 PolarHBondContact O-NE2 2.9Å; L267-Q270 CarbonylContact O-C 3.59Å; L267-Q270 WeakPolarHBondContact O-CA 3.45Å; L267-Q270 WeakPolarHBondContact O-CB 3.24Å; L267-Q270 PolarHBondContact O-N 3.45Å; C268-Q270 PolarHBondContact O-N 3.14Å |
| 271 | I | 37.7 | Very low | 37.5 | Very low | 100 Ų | 100 | 105.9 Ų | 105.9 | 51% | 0.513 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -124.9 | -43.6 | -174.1 | -56 | 176.2 | 0 | 0 | 0 | 111.9 | L267 C268 | L267-I271 WeakPolarHBondContact O-CG1 3.31Å; L267-I271 PolarHBondContact O-N 3.42Å; C268-I271 PolarHBondContact O-N 3.08Å |
| 272 | F | 34.9 | Very low | 38.4 | Very low | 122 Ų | 122 | 99.2 Ų | 99.2 | 54% | 0.535 | 53% | 0.528 | S | S | . | . | trans | -141.1 | 100.2 | 175.6 | -71.2 | -73 | 0 | 0 | 0 | 111.2 | C268 L385 | C268-F272 CarbonylContact O-C 3.26Å; C268-F272 VanDerWaalsContact O-C 3.26Å; C268-F272 PolarHBondContact O-N 2.88Å; F272-L385 HydrophobicContact CE2-CD2 4.26Å | ||
| 273 | P | 35.8 | Very low | 39 | Very low | 84 Ų | 84 | 98.5 Ų | 98.5 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | trans | -68.5 | 168.4 | 166 | 31 | -34.7 | 0 | 0 | 0 | 110.8 | D275 | P273-D275 HydrophobicContact CG-CB 4.32Å; P273-D275 PolarHBondContact O-N 3.23Å | ||
| 274 | T | 42.2 | Very low | 39.8 | Very low | 142 Ų | 142 | 94.5 Ų | 94.5 | 87% | 0.871 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 22.5 | 179.4 | -24.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 275 | D | 41.2 | Very low | 40.7 | Very low | 99 Ų | 99 | 92.6 Ų | 92.6 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 9.8 | -165.8 | -92.1 | -62.2 | 0 | 0 | 0 | 113.2 | P273 D277 K280 | P273-D275 HydrophobicContact CG-CB 4.32Å; P273-D275 PolarHBondContact O-N 3.23Å; D275-D277 PolarHBondContact O-N 2.96Å; D275-K280 WeakPolarHBondContact O-CE 3.34Å; D275-K280 PolarHBondContact O-NZ 2.85Å; D275-K280 WeakPolarHBondContact OD1-CE 3.49Å; D275-K280 IonicContact OD1-NZ 2.73Å; D275-K280 PolarHBondContact OD1-NZ 3.22Å |
| 276 | S | 45.3 | Very low | 41.4 | Very low | 29 Ų | 29 | 91.8 Ų | 91.8 | 20% | 0.203 | 48% | 0.477 | C | S | . | . | trans | -48.2 | 131 | 178.4 | 159.1 | 0 | 0 | 0 | 0 | 112.1 | E278 Y279 K280 | S276-E278 PolarHBondContact O-N 3.23Å; S276-E278 VanDerWaalsContact OG-CB 3.31Å; S276-E278 WeakPolarHBondContact OG-CB 3.24Å; S276-E278 PolarHBondContact OG-N 3.13Å; S276-E278 PolarHBondContact OG-OE2 3.41Å; S276-Y279 PolarHBondContact O-N 3.5Å; S276-Y279 PolarHBondContact OG-N 2.72Å; S276-K280 PolarHBondContact O-N 2.69Å; S276-K280 VanDerWaalsContact O-N 3.13Å | ||
| 277 | D | 45.5 | Very low | 42.2 | Very low | 120 Ų | 120 | 89.8 Ų | 89.8 | 64% | 0.642 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.4 | -20.7 | 173.3 | -71.2 | -43.3 | 0 | 0 | 0 | 112 | D275 Q281 | D275-D277 PolarHBondContact O-N 2.96Å; D277-Q281 VanDerWaalsContact O-CB 3.29Å; D277-Q281 WeakPolarHBondContact O-CB 3.49Å; D277-Q281 VanDerWaalsContact O-CG 3.24Å; D277-Q281 WeakPolarHBondContact O-CG 3.29Å; D277-Q281 PolarHBondContact O-N 2.86Å; D277-Q281 PolarHBondContact O-NE2 3.42Å |
| 278 | E | 43.6 | Very low | 43.1 | Very low | 100 Ų | 100 | 89.2 Ų | 89.2 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.9 | -46 | 174.2 | -52.9 | 143.4 | 117.5 | 0 | 0 | 110 | S276 K280 Q281 L282 S381 | S276-E278 PolarHBondContact O-N 3.23Å; S276-E278 VanDerWaalsContact OG-CB 3.31Å; S276-E278 WeakPolarHBondContact OG-CB 3.24Å; S276-E278 PolarHBondContact OG-N 3.13Å; S276-E278 PolarHBondContact OG-OE2 3.41Å; E278-K280 VanDerWaalsContact C-N 3.34Å; E278-K280 PolarHBondContact O-N 3.04Å; E278-Q281 PolarHBondContact O-N 3.47Å; E278-L282 WeakPolarHBondContact O-CB 3.49Å; E278-L282 PolarHBondContact O-N 2.91Å; E278-S381 PolarHBondContact OE1-OG 2.8Å |
| 279 | Y | 40.8 | Very low | 44.1 | Very low | 126 Ų | 126 | 89.2 Ų | 89.2 | 49% | 0.494 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 175.3 | 179.9 | -84.9 | 0 | 0 | 0 | 111.3 | S276 L282 E283 | S276-Y279 PolarHBondContact O-N 3.5Å; S276-Y279 PolarHBondContact OG-N 2.72Å; Y279-L282 PolarHBondContact O-N 3.29Å; Y279-E283 HydrophobicContact CE1-CB 4.48Å; Y279-E283 WeakPolarHBondContact O-CB 3.47Å; Y279-E283 PolarHBondContact O-N 3.12Å |
| 280 | K | 46.4 | Very low | 44.7 | Very low | 77 Ų | 77 | 87.7 Ų | 87.7 | 34% | 0.335 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.1 | -33.4 | 178.2 | -69.7 | 165.4 | -178.4 | 161.5 | 0 | 112.9 | D275 S276 E278 T284 | D275-K280 WeakPolarHBondContact O-CE 3.34Å; D275-K280 PolarHBondContact O-NZ 2.85Å; D275-K280 WeakPolarHBondContact OD1-CE 3.49Å; D275-K280 IonicContact OD1-NZ 2.73Å; D275-K280 PolarHBondContact OD1-NZ 3.22Å; S276-K280 PolarHBondContact O-N 2.69Å; S276-K280 VanDerWaalsContact O-N 3.13Å; E278-K280 VanDerWaalsContact C-N 3.34Å; E278-K280 PolarHBondContact O-N 3.04Å; K280-T284 WeakPolarHBondContact O-CB 3.39Å; K280-T284 PolarHBondContact O-N 2.91Å; K280-T284 PolarHBondContact O-OG1 2.97Å |
| 281 | Q | 49.1 | Very low | 45.5 | Very low | 61 Ų | 61 | 82.8 Ų | 82.8 | 29% | 0.285 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.8 | -45.8 | 171.3 | -80.8 | 169.2 | 104.9 | 0 | 0 | 110.9 | D277 E278 E283 T284 E285 | D277-Q281 VanDerWaalsContact O-CB 3.29Å; D277-Q281 WeakPolarHBondContact O-CB 3.49Å; D277-Q281 VanDerWaalsContact O-CG 3.24Å; D277-Q281 WeakPolarHBondContact O-CG 3.29Å; D277-Q281 PolarHBondContact O-N 2.86Å; D277-Q281 PolarHBondContact O-NE2 3.42Å; E278-Q281 PolarHBondContact O-N 3.47Å; Q281-E283 PolarHBondContact O-N 3.46Å; Q281-T284 CarbonylContact O-C 3.59Å; Q281-T284 WeakPolarHBondContact O-CB 3.22Å; Q281-T284 PolarHBondContact O-N 3.34Å; Q281-T284 VanDerWaalsContact O-N 3.11Å; Q281-E285 WeakPolarHBondContact O-CB 3.38Å; Q281-E285 WeakPolarHBondContact O-CG 3.46Å; Q281-E285 PolarHBondContact O-N 3.05Å |
| 282 | L | 45.9 | Very low | 46.2 | Very low | 38 Ų | 38 | 79.5 Ų | 79.5 | 20% | 0.199 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -56.8 | -47 | 173.4 | 170.5 | 59.8 | 0 | 0 | 0 | 112.3 | E278 Y279 T284 E285 L286 F370 M374 | E278-L282 WeakPolarHBondContact O-CB 3.49Å; E278-L282 PolarHBondContact O-N 2.91Å; Y279-L282 PolarHBondContact O-N 3.29Å; L282-T284 VanDerWaalsContact C-N 3.31Å; L282-T284 PolarHBondContact O-N 3.42Å; L282-E285 PolarHBondContact O-N 2.72Å; L282-L286 HydrophobicContact CD1-CD1 3.71Å; L282-L286 HydrophobicContact CD1-CG 4.07Å; L282-L286 HydrophobicContact CG-CD1 4.03Å; L282-L286 WeakPolarHBondContact O-CB 3.14Å; L282-L286 WeakPolarHBondContact O-CG 3.44Å; L282-L286 PolarHBondContact O-N 2.85Å; L282-F370 HydrophobicContact CD1-CE1 3.68Å; L282-F370 HydrophobicContact CD1-CZ 3.69Å; L282-M374 HydrophobicContact CD1-CG 3.91Å; L282-M374 HydrophobicContact CD1-SD 3.53Å; L282-M374 VanDerWaalsContact CD1-SD 3.53Å; L282-M374 HydrophobicContact CD2-CG 4.09Å; L282-M374 HydrophobicContact CD2-SD 3.55Å; L282-M374 VanDerWaalsContact CD2-SD 3.55Å; L282-M374 HydrophobicContact CG-SD 4.19Å |
| 283 | E | 45.3 | Very low | 47.1 | Very low | 85 Ų | 85 | 74.7 Ų | 74.7 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63 | -37.5 | 175.5 | -177.5 | 168.1 | -141.9 | 0 | 0 | 111.7 | Y279 Q281 N287 | Y279-E283 HydrophobicContact CE1-CB 4.48Å; Y279-E283 WeakPolarHBondContact O-CB 3.47Å; Y279-E283 PolarHBondContact O-N 3.12Å; Q281-E283 PolarHBondContact O-N 3.46Å; E283-N287 VanDerWaalsContact O-CB 3.25Å; E283-N287 WeakPolarHBondContact O-CB 3.35Å; E283-N287 VanDerWaalsContact O-CG 3.23Å; E283-N287 PolarHBondContact O-N 3.3Å; E283-N287 PolarHBondContact O-ND2 2.97Å |
| 284 | T | 50.4 | Low | 47.9 | Very low | 90 Ų | 90 | 76 Ų | 76 | 55% | 0.552 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68.2 | -42.6 | 175.4 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | K280 Q281 L282 N287 S288 | K280-T284 WeakPolarHBondContact O-CB 3.39Å; K280-T284 PolarHBondContact O-N 2.91Å; K280-T284 PolarHBondContact O-OG1 2.97Å; Q281-T284 CarbonylContact O-C 3.59Å; Q281-T284 WeakPolarHBondContact O-CB 3.22Å; Q281-T284 PolarHBondContact O-N 3.34Å; Q281-T284 VanDerWaalsContact O-N 3.11Å; L282-T284 VanDerWaalsContact C-N 3.31Å; L282-T284 PolarHBondContact O-N 3.42Å; T284-N287 PolarHBondContact O-N 3.08Å; T284-S288 WeakPolarHBondContact O-CB 3.22Å; T284-S288 PolarHBondContact O-N 2.95Å |
| 285 | E | 49.5 | Very low | 48.6 | Very low | 81 Ų | 81 | 76.3 Ų | 76.3 | 38% | 0.379 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.9 | -40.1 | -178.1 | -72.9 | 170.1 | -174.1 | 0 | 0 | 111.3 | Q281 L282 S288 F289 F370 | Q281-E285 WeakPolarHBondContact O-CB 3.38Å; Q281-E285 WeakPolarHBondContact O-CG 3.46Å; Q281-E285 PolarHBondContact O-N 3.05Å; L282-E285 PolarHBondContact O-N 2.72Å; E285-S288 PolarHBondContact O-N 2.99Å; E285-F289 WeakPolarHBondContact O-CB 3.34Å; E285-F289 PolarHBondContact O-N 2.74Å; E285-F370 HydrophobicContact CB-CE2 3.98Å; E285-F370 HydrophobicContact CB-CZ 3.92Å |
| 286 | L | 50.2 | Low | 49.3 | Very low | 50 Ų | 50 | 73.4 Ų | 73.4 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 168.5 | -78.4 | 166.4 | 0 | 0 | 0 | 112 | L282 S288 F289 F290 F370 | L282-L286 HydrophobicContact CD1-CD1 3.71Å; L282-L286 HydrophobicContact CD1-CG 4.07Å; L282-L286 HydrophobicContact CG-CD1 4.03Å; L282-L286 WeakPolarHBondContact O-CB 3.14Å; L282-L286 WeakPolarHBondContact O-CG 3.44Å; L282-L286 PolarHBondContact O-N 2.85Å; L286-S288 VanDerWaalsContact C-N 3.27Å; L286-S288 PolarHBondContact O-N 3.09Å; L286-F289 PolarHBondContact O-N 3.45Å; L286-F290 HydrophobicContact CB-CD2 4.49Å; L286-F290 HydrophobicContact CB-CE2 4.23Å; L286-F290 HydrophobicContact CD2-CE2 4.11Å; L286-F290 WeakPolarHBondContact O-CD2 3.37Å; L286-F290 PolarHBondContact O-N 2.98Å; L286-F370 HydrophobicContact CD2-CD1 4.43Å; L286-F370 HydrophobicContact CD2-CE1 3.9Å; L286-F370 HydrophobicContact CG-CE1 3.93Å; L286-F370 HydrophobicContact CG-CZ 4.48Å |
| 287 | N | 48.9 | Very low | 49.8 | Very low | 96 Ų | 96 | 73.8 Ų | 73.8 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.4 | -33.8 | 177 | -78.3 | -48 | 0 | 0 | 0 | 112.1 | E283 T284 A291 | E283-N287 VanDerWaalsContact O-CB 3.25Å; E283-N287 WeakPolarHBondContact O-CB 3.35Å; E283-N287 VanDerWaalsContact O-CG 3.23Å; E283-N287 PolarHBondContact O-N 3.3Å; E283-N287 PolarHBondContact O-ND2 2.97Å; T284-N287 PolarHBondContact O-N 3.08Å; N287-A291 VanDerWaalsContact O-CB 3.25Å; N287-A291 WeakPolarHBondContact O-CB 3.36Å; N287-A291 PolarHBondContact O-N 2.83Å |
| 288 | S | 52.5 | Low | 50.3 | Low | 82 Ų | 82 | 70.5 Ų | 70.5 | 57% | 0.573 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.1 | -40.9 | 173.6 | -166.4 | 0 | 0 | 0 | 0 | 112.2 | T284 E285 L286 A291 G292 | T284-S288 WeakPolarHBondContact O-CB 3.22Å; T284-S288 PolarHBondContact O-N 2.95Å; E285-S288 PolarHBondContact O-N 2.99Å; L286-S288 VanDerWaalsContact C-N 3.27Å; L286-S288 PolarHBondContact O-N 3.09Å; S288-A291 PolarHBondContact O-N 2.96Å; S288-G292 PolarHBondContact O-N 3.3Å |
| 289 | F | 51.1 | Low | 51.5 | Low | 58 Ų | 58 | 69.8 Ų | 69.8 | 25% | 0.254 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 174 | 177.3 | -94.5 | 0 | 0 | 0 | 111.3 | E285 L286 A291 G292 Q293 N363 L367 | E285-F289 WeakPolarHBondContact O-CB 3.34Å; E285-F289 PolarHBondContact O-N 2.74Å; L286-F289 PolarHBondContact O-N 3.45Å; F289-A291 PolarHBondContact O-N 3.26Å; F289-G292 PolarHBondContact O-N 3.22Å; F289-Q293 PolarHBondContact O-N 2.86Å; F289-N363 HydrophobicContact CZ-CB 4.36Å; F289-L367 HydrophobicContact CE1-CB 4.4Å; F289-L367 HydrophobicContact CE1-CD1 4.12Å; F289-L367 HydrophobicContact CE1-CD2 4.42Å; F289-L367 HydrophobicContact CE2-CB 4.5Å; F289-L367 HydrophobicContact CZ-CB 3.92Å; F289-L367 HydrophobicContact CZ-CD1 4.4Å |
| 290 | F | 48 | Very low | 52.6 | Low | 52 Ų | 52 | 65.1 Ų | 65.1 | 23% | 0.228 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.1 | -34.3 | 177 | -66 | -54.7 | 0 | 0 | 0 | 112.9 | L247 L286 Q293 I294 | L247-F290 HydrophobicContact CD1-CE1 3.72Å; L247-F290 HydrophobicContact CD1-CZ 3.81Å; L247-F290 HydrophobicContact CD2-CE1 4.41Å; L247-F290 HydrophobicContact CD2-CE2 4.17Å; L247-F290 HydrophobicContact CD2-CZ 3.66Å; L247-F290 HydrophobicContact CG-CZ 4.38Å; L286-F290 HydrophobicContact CB-CD2 4.49Å; L286-F290 HydrophobicContact CB-CE2 4.23Å; L286-F290 HydrophobicContact CD2-CE2 4.11Å; L286-F290 WeakPolarHBondContact O-CD2 3.37Å; L286-F290 PolarHBondContact O-N 2.98Å; F290-Q293 PolarHBondContact O-N 2.84Å; F290-I294 WeakPolarHBondContact O-CD1 3.37Å; F290-I294 VanDerWaalsContact O-CG1 3.23Å; F290-I294 WeakPolarHBondContact O-CG1 3.48Å; F290-I294 PolarHBondContact O-N 2.96Å |
| 291 | A | 51.1 | Low | 53.3 | Low | 46 Ų | 46 | 64.8 Ų | 64.8 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N287 S288 F289 Q293 I294 E295 | N287-A291 VanDerWaalsContact O-CB 3.25Å; N287-A291 WeakPolarHBondContact O-CB 3.36Å; N287-A291 PolarHBondContact O-N 2.83Å; S288-A291 PolarHBondContact O-N 2.96Å; F289-A291 PolarHBondContact O-N 3.26Å; A291-Q293 VanDerWaalsContact C-N 3.33Å; A291-Q293 PolarHBondContact O-N 2.83Å; A291-I294 PolarHBondContact O-N 3.12Å; A291-I294 VanDerWaalsContact O-N 3.15Å; A291-E295 PolarHBondContact O-N 3.08Å |
| 292 | G | 52.5 | Low | 54.1 | Low | 32 Ų | 32 | 67.5 Ų | 67.5 | 33% | 0.33 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.1 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S288 F289 T296 | S288-G292 PolarHBondContact O-N 3.3Å; F289-G292 PolarHBondContact O-N 3.22Å; G292-T296 VanDerWaalsContact O-CB 3.3Å; G292-T296 WeakPolarHBondContact O-CB 3.24Å; G292-T296 PolarHBondContact O-N 3.44Å; G292-T296 PolarHBondContact O-OG1 3Å |
| 293 | Q | 53.7 | Low | 55.1 | Low | 20 Ų | 20 | 70 Ų | 70 | 9% | 0.093 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 173 | -172.4 | 62.5 | 58.4 | 0 | 0 | 111.7 | F289 F290 A291 T296 D297 N363 | F289-Q293 PolarHBondContact O-N 2.86Å; F290-Q293 PolarHBondContact O-N 2.84Å; A291-Q293 VanDerWaalsContact C-N 3.33Å; A291-Q293 PolarHBondContact O-N 2.83Å; Q293-T296 PolarHBondContact O-N 3.22Å; Q293-D297 PolarHBondContact NE2-OD1 2.9Å; Q293-D297 WeakPolarHBondContact O-CB 3.33Å; Q293-D297 PolarHBondContact O-N 2.82Å; Q293-N363 PolarHBondContact OE1-ND2 3.31Å |
| 294 | I | 52.8 | Low | 56 | Low | 113 Ų | 113 | 66.4 Ų | 66.4 | 58% | 0.579 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64 | -42 | 178 | -70.5 | 163.1 | 0 | 0 | 0 | 111.5 | F290 A291 T296 A298 | F290-I294 WeakPolarHBondContact O-CD1 3.37Å; F290-I294 VanDerWaalsContact O-CG1 3.23Å; F290-I294 WeakPolarHBondContact O-CG1 3.48Å; F290-I294 PolarHBondContact O-N 2.96Å; A291-I294 PolarHBondContact O-N 3.12Å; A291-I294 VanDerWaalsContact O-N 3.15Å; I294-T296 VanDerWaalsContact C-N 3.3Å; I294-T296 PolarHBondContact O-N 2.78Å; I294-A298 VanDerWaalsContact O-CB 3.26Å; I294-A298 WeakPolarHBondContact O-CB 3.34Å; I294-A298 PolarHBondContact O-N 2.85Å |
| 295 | E | 57.5 | Low | 56.7 | Low | 147 Ų | 147 | 64.5 Ų | 64.5 | 69% | 0.687 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.9 | -37 | 174 | -72.4 | -172.7 | -179.3 | 0 | 0 | 111.9 | A291 A298 H299 | A291-E295 PolarHBondContact O-N 3.08Å; E295-A298 PolarHBondContact O-N 3.16Å; E295-H299 WeakPolarHBondContact O-CB 3.29Å; E295-H299 PolarHBondContact O-N 3.37Å |
| 296 | T | 55 | Low | 57.6 | Low | 39 Ų | 39 | 65.2 Ų | 65.2 | 24% | 0.239 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71 | -47 | 179.1 | -58.4 | 0 | 0 | 0 | 0 | 112 | G292 Q293 I294 A298 H299 Y300 N359 | G292-T296 VanDerWaalsContact O-CB 3.3Å; G292-T296 WeakPolarHBondContact O-CB 3.24Å; G292-T296 PolarHBondContact O-N 3.44Å; G292-T296 PolarHBondContact O-OG1 3Å; Q293-T296 PolarHBondContact O-N 3.22Å; I294-T296 VanDerWaalsContact C-N 3.3Å; I294-T296 PolarHBondContact O-N 2.78Å; T296-A298 VanDerWaalsContact C-N 3.27Å; T296-A298 PolarHBondContact O-N 3.26Å; T296-H299 PolarHBondContact O-N 2.76Å; T296-Y300 HydrophobicContact CG2-CD2 3.77Å; T296-Y300 HydrophobicContact CG2-CE2 3.66Å; T296-Y300 VanDerWaalsContact O-CD2 3.29Å; T296-Y300 WeakPolarHBondContact O-CD2 3.43Å; T296-Y300 PolarHBondContact O-N 3.28Å; T296-N359 VanDerWaalsContact CG2-OD1 3.24Å; T296-N359 WeakPolarHBondContact CG2-OD1 3.45Å |
| 297 | D | 55.3 | Low | 58.4 | Low | 36 Ų | 36 | 64.7 Ų | 64.7 | 19% | 0.193 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54 | -45.8 | 171.2 | -75.6 | 5.6 | 0 | 0 | 0 | 110.5 | Q293 Y300 Q301 F356 | Q293-D297 PolarHBondContact NE2-OD1 2.9Å; Q293-D297 WeakPolarHBondContact O-CB 3.33Å; Q293-D297 PolarHBondContact O-N 2.82Å; D297-Y300 PolarHBondContact O-N 3.01Å; D297-Q301 VanDerWaalsContact O-CB 3.28Å; D297-Q301 WeakPolarHBondContact O-CB 3.2Å; D297-Q301 PolarHBondContact O-N 3.32Å; D297-F356 WeakPolarHBondContact OD1-CE2 3.45Å |
| 298 | A | 57.7 | Low | 59.4 | Low | 51 Ų | 51 | 62.5 Ų | 62.5 | 42% | 0.421 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I294 E295 T296 Q301 Q302 | I294-A298 VanDerWaalsContact O-CB 3.26Å; I294-A298 WeakPolarHBondContact O-CB 3.34Å; I294-A298 PolarHBondContact O-N 2.85Å; E295-A298 PolarHBondContact O-N 3.16Å; T296-A298 VanDerWaalsContact C-N 3.27Å; T296-A298 PolarHBondContact O-N 3.26Å; A298-Q301 PolarHBondContact O-N 2.78Å; A298-Q302 VanDerWaalsContact O-CB 3.3Å; A298-Q302 WeakPolarHBondContact O-CB 3.31Å; A298-Q302 PolarHBondContact O-N 3.43Å |
| 299 | H | 68.3 | Low | 60.2 | Low | 86 Ų | 86 | 61.3 Ų | 61.3 | 40% | 0.398 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 174.4 | 162.2 | -99.5 | 0 | 0 | 0 | 111.9 | E295 T296 Q302 R303 | E295-H299 WeakPolarHBondContact O-CB 3.29Å; E295-H299 PolarHBondContact O-N 3.37Å; T296-H299 PolarHBondContact O-N 2.76Å; H299-Q302 PolarHBondContact O-N 2.87Å; H299-R303 VanDerWaalsContact O-CB 3.3Å; H299-R303 WeakPolarHBondContact O-CB 3.47Å; H299-R303 PolarHBondContact O-N 3.29Å |
| 300 | Y | 64.5 | Low | 61.2 | Low | 28 Ų | 28 | 63.1 Ų | 63.1 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 177.5 | -79.7 | -74.3 | 0 | 0 | 0 | 111.8 | T296 D297 R303 A304 L352 E355 F356 | T296-Y300 HydrophobicContact CG2-CD2 3.77Å; T296-Y300 HydrophobicContact CG2-CE2 3.66Å; T296-Y300 VanDerWaalsContact O-CD2 3.29Å; T296-Y300 WeakPolarHBondContact O-CD2 3.43Å; T296-Y300 PolarHBondContact O-N 3.28Å; D297-Y300 PolarHBondContact O-N 3.01Å; Y300-R303 PolarHBondContact O-N 3.28Å; Y300-A304 VanDerWaalsContact O-CB 3.3Å; Y300-A304 WeakPolarHBondContact O-CB 3.39Å; Y300-A304 PolarHBondContact O-N 3.13Å; Y300-L352 HydrophobicContact CD1-CD1 3.77Å; Y300-L352 HydrophobicContact CD1-CG 4.14Å; Y300-L352 HydrophobicContact CE1-CD1 4.04Å; Y300-E355 HydrophobicContact CE1-CB 3.92Å; Y300-E355 PolarHBondContact OH-O 2.88Å; Y300-F356 HydrophobicContact CD1-CB 3.92Å; Y300-F356 HydrophobicContact CD1-CD2 4.45Å; Y300-F356 HydrophobicContact CD2-CB 4.31Å; Y300-F356 AromaticContact CD2-CD2 3.43Å; Y300-F356 HydrophobicContact CD2-CD2 3.43Å; Y300-F356 VanDerWaalsContact CD2-CD2 3.43Å; Y300-F356 HydrophobicContact CD2-CE2 4.14Å; Y300-F356 HydrophobicContact CD2-CG 4.25Å; Y300-F356 HydrophobicContact CE1-CB 4.05Å; Y300-F356 HydrophobicContact CE2-CB 4.41Å; Y300-F356 AromaticContact CE2-CD2 3.89Å; Y300-F356 HydrophobicContact CE2-CD2 3.89Å; Y300-F356 HydrophobicContact CG-CB 4.06Å; Y300-F356 AromaticContact CG-CD2 3.75Å; Y300-F356 HydrophobicContact CG-CD2 3.75Å; Y300-F356 HydrophobicContact CG-CG 4.18Å |
| 301 | Q | 61 | Low | 62.6 | Low | 69 Ų | 69 | 61.6 Ų | 61.6 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 173.3 | 176.3 | 172 | -13.4 | 0 | 0 | 112.6 | Y239 D297 A298 S305 | Y239-Q301 HydrophobicContact CD2-CB 3.76Å; Y239-Q301 HydrophobicContact CD2-CG 3.56Å; Y239-Q301 HydrophobicContact CE2-CB 3.72Å; Y239-Q301 HydrophobicContact CE2-CG 3.77Å; Y239-Q301 HydrophobicContact CG-CB 4.41Å; Y239-Q301 HydrophobicContact CG-CG 4.47Å; D297-Q301 VanDerWaalsContact O-CB 3.28Å; D297-Q301 WeakPolarHBondContact O-CB 3.2Å; D297-Q301 PolarHBondContact O-N 3.32Å; A298-Q301 PolarHBondContact O-N 2.78Å; Q301-S305 WeakPolarHBondContact O-CB 3.48Å; Q301-S305 PolarHBondContact O-N 3.24Å; Q301-S305 PolarHBondContact O-OG 2.88Å |
| 302 | Q | 66.1 | Low | 63.8 | Low | 118 Ų | 118 | 63.7 Ų | 63.7 | 55% | 0.551 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64 | -47.3 | 176.5 | -176.2 | 178.1 | 9.5 | 0 | 0 | 111 | A298 H299 A304 S305 Q306 | A298-Q302 VanDerWaalsContact O-CB 3.3Å; A298-Q302 WeakPolarHBondContact O-CB 3.31Å; A298-Q302 PolarHBondContact O-N 3.43Å; H299-Q302 PolarHBondContact O-N 2.87Å; Q302-A304 PolarHBondContact O-N 2.87Å; Q302-S305 WeakPolarHBondContact O-CB 3.35Å; Q302-S305 PolarHBondContact O-N 3.22Å; Q302-Q306 WeakPolarHBondContact O-CG 3.17Å; Q302-Q306 PolarHBondContact O-N 3.24Å |
| 303 | R | 66.1 | Low | 64.8 | Low | 92 Ų | 92 | 69 Ų | 69 | 35% | 0.347 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 179.7 | -177.1 | 165.1 | 157.5 | 153.2 | -13.2 | 111.9 | H299 Y300 I307 L352 E355 | H299-R303 VanDerWaalsContact O-CB 3.3Å; H299-R303 WeakPolarHBondContact O-CB 3.47Å; H299-R303 PolarHBondContact O-N 3.29Å; Y300-R303 PolarHBondContact O-N 3.28Å; R303-I307 HydrophobicContact CG-CD1 4.19Å; R303-I307 WeakPolarHBondContact O-CB 3.37Å; R303-I307 WeakPolarHBondContact O-CD1 3.37Å; R303-I307 VanDerWaalsContact O-CG1 3.3Å; R303-I307 WeakPolarHBondContact O-CG1 3.49Å; R303-I307 PolarHBondContact O-N 3.03Å; R303-L352 HydrophobicContact CB-CD1 4.48Å; R303-L352 HydrophobicContact CG-CD1 3.77Å; R303-L352 HydrophobicContact CG-CD2 4.36Å; R303-L352 VanDerWaalsContact NE-CD1 3.27Å; R303-E355 IonicContact CZ-OE2 2.72Å; R303-E355 IonicContact NE-OE2 2.67Å; R303-E355 IonicContact NH2-OE1 2.68Å; R303-E355 IonicContact NH2-OE2 2.73Å; R303-E355 PolarHBondContact NH2-OE2 3.29Å |
| 304 | A | 63.7 | Low | 65.9 | Low | 9 Ų | 9 | 72.5 Ų | 72.5 | 7% | 0.074 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y300 Q302 Q306 I307 L308 L352 | Y300-A304 VanDerWaalsContact O-CB 3.3Å; Y300-A304 WeakPolarHBondContact O-CB 3.39Å; Y300-A304 PolarHBondContact O-N 3.13Å; Q302-A304 PolarHBondContact O-N 2.87Å; A304-Q306 PolarHBondContact O-N 2.85Å; A304-I307 PolarHBondContact O-N 3.36Å; A304-L308 WeakPolarHBondContact O-CB 3.43Å; A304-L308 WeakPolarHBondContact O-CD1 3.48Å; A304-L308 WeakPolarHBondContact O-CG 3.31Å; A304-L308 PolarHBondContact O-N 3.41Å; A304-L352 HydrophobicContact CB-CD2 3.7Å |
| 305 | S | 64.9 | Low | 67.1 | Low | 49 Ų | 49 | 67.5 Ų | 67.5 | 34% | 0.343 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 178.8 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | Q301 Q302 A309 | Q301-S305 WeakPolarHBondContact O-CB 3.48Å; Q301-S305 PolarHBondContact O-N 3.24Å; Q301-S305 PolarHBondContact O-OG 2.88Å; Q302-S305 WeakPolarHBondContact O-CB 3.35Å; Q302-S305 PolarHBondContact O-N 3.22Å; S305-A309 WeakPolarHBondContact O-CB 3.4Å; S305-A309 PolarHBondContact O-N 2.69Å |
| 306 | Q | 69.4 | Low | 68.1 | Low | 97 Ų | 97 | 63.6 Ų | 63.6 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64 | -50.4 | 173.5 | -73 | 168.9 | -22.4 | 0 | 0 | 111.5 | Q302 A304 L308 A309 D310 | Q302-Q306 WeakPolarHBondContact O-CG 3.17Å; Q302-Q306 PolarHBondContact O-N 3.24Å; A304-Q306 PolarHBondContact O-N 2.85Å; Q306-L308 VanDerWaalsContact C-N 3.25Å; Q306-L308 PolarHBondContact O-N 3.36Å; Q306-A309 PolarHBondContact O-N 2.88Å; Q306-A309 VanDerWaalsContact O-N 3.15Å; Q306-D310 WeakPolarHBondContact O-CB 3.4Å; Q306-D310 VanDerWaalsContact O-CG 3.26Å; Q306-D310 PolarHBondContact O-N 3Å |
| 307 | I | 67.1 | Low | 69.3 | Low | 38 Ų | 38 | 65 Ų | 65 | 20% | 0.195 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.9 | -38.1 | 178.4 | -71.9 | 165.3 | 0 | 0 | 0 | 111.6 | R303 A304 F311 F345 L349 L352 | R303-I307 HydrophobicContact CG-CD1 4.19Å; R303-I307 WeakPolarHBondContact O-CB 3.37Å; R303-I307 WeakPolarHBondContact O-CD1 3.37Å; R303-I307 VanDerWaalsContact O-CG1 3.3Å; R303-I307 WeakPolarHBondContact O-CG1 3.49Å; R303-I307 PolarHBondContact O-N 3.03Å; A304-I307 PolarHBondContact O-N 3.36Å; I307-F311 VanDerWaalsContact O-CB 3.32Å; I307-F311 WeakPolarHBondContact O-CB 3.35Å; I307-F311 PolarHBondContact O-N 3.48Å; I307-F345 HydrophobicContact CG2-CD2 4.1Å; I307-F345 HydrophobicContact CG2-CE2 3.77Å; I307-F345 WeakPolarHBondContact O-CE2 3.31Å; I307-L349 HydrophobicContact CG2-CD2 3.78Å; I307-L349 HydrophobicContact CG2-CG 4.44Å; I307-L352 HydrophobicContact CD1-CD2 4.27Å |
| 308 | L | 69.1 | Low | 70.7 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.4 | -47 | 174.5 | -77.9 | 161.2 | 0 | 0 | 0 | 112.5 | A304 Q306 H312 F345 L349 Y484 | A304-L308 WeakPolarHBondContact O-CB 3.43Å; A304-L308 WeakPolarHBondContact O-CD1 3.48Å; A304-L308 WeakPolarHBondContact O-CG 3.31Å; A304-L308 PolarHBondContact O-N 3.41Å; Q306-L308 VanDerWaalsContact C-N 3.25Å; Q306-L308 PolarHBondContact O-N 3.36Å; L308-H312 VanDerWaalsContact O-CB 3.27Å; L308-H312 WeakPolarHBondContact O-CB 3.19Å; L308-H312 PolarHBondContact O-N 2.83Å; L308-F345 HydrophobicContact CD2-CZ 4.06Å; L308-L349 HydrophobicContact CD2-CD1 4.49Å; L308-Y484 HydrophobicContact CD2-CD1 4.28Å; L308-Y484 HydrophobicContact CD2-CE1 3.62Å |
| 309 | A | 69.4 | Low | 71.8 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 46% | 0.463 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.4 | -52.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S305 Q306 F311 H312 E313 | S305-A309 WeakPolarHBondContact O-CB 3.4Å; S305-A309 PolarHBondContact O-N 2.69Å; Q306-A309 PolarHBondContact O-N 2.88Å; Q306-A309 VanDerWaalsContact O-N 3.15Å; A309-F311 PolarHBondContact O-N 2.94Å; A309-H312 PolarHBondContact O-N 2.86Å; A309-H312 VanDerWaalsContact O-N 3.14Å; A309-E313 PolarHBondContact O-N 3.03Å; A309-E313 VanDerWaalsContact O-N 3.07Å |
| 310 | D | 73.1 | Confident | 72.6 | Confident | 97 Ų | 97 | 66 Ų | 66 | 52% | 0.519 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.3 | -37.1 | -179.9 | -70.3 | 0.6 | 0 | 0 | 0 | 112 | Q306 Q314 | Q306-D310 WeakPolarHBondContact O-CB 3.4Å; Q306-D310 VanDerWaalsContact O-CG 3.26Å; Q306-D310 PolarHBondContact O-N 3Å; D310-Q314 WeakPolarHBondContact O-CG 3.3Å; D310-Q314 PolarHBondContact O-NE2 3.03Å |
| 311 | F | 76.8 | Confident | 73.7 | Confident | 19 Ų | 19 | 69.3 Ų | 69.3 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -76.6 | -45.9 | 176.5 | -178.5 | -99.8 | 0 | 0 | 0 | 112 | I307 A309 E313 Q314 Y315 T342 F345 L488 | I307-F311 VanDerWaalsContact O-CB 3.32Å; I307-F311 WeakPolarHBondContact O-CB 3.35Å; I307-F311 PolarHBondContact O-N 3.48Å; A309-F311 PolarHBondContact O-N 2.94Å; F311-E313 PolarHBondContact O-N 3.42Å; F311-Q314 PolarHBondContact O-N 3.08Å; F311-Y315 AromaticContact CE1-CD2 3.8Å; F311-Y315 HydrophobicContact CE1-CD2 3.8Å; F311-Y315 AromaticContact CE1-CG 3.87Å; F311-Y315 HydrophobicContact CE1-CG 3.87Å; F311-Y315 AromaticContact CZ-CD2 3.66Å; F311-Y315 HydrophobicContact CZ-CD2 3.66Å; F311-Y315 HydrophobicContact CZ-CG 4.14Å; F311-Y315 WeakPolarHBondContact O-CB 3.36Å; F311-Y315 PolarHBondContact O-N 3.44Å; F311-T342 HydrophobicContact CZ-CG2 4.24Å; F311-F345 HydrophobicContact CB-CD2 3.4Å; F311-F345 VanDerWaalsContact CB-CD2 3.4Å; F311-F345 HydrophobicContact CB-CE2 3.42Å; F311-F345 VanDerWaalsContact CB-CE2 3.42Å; F311-F345 HydrophobicContact CB-CG 4.12Å; F311-F345 HydrophobicContact CB-CZ 4.16Å; F311-F345 HydrophobicContact CD1-CB 4.49Å; F311-F345 AromaticContact CD1-CD1 3.65Å; F311-F345 HydrophobicContact CD1-CD1 3.65Å; F311-F345 AromaticContact CD1-CD2 3.81Å; F311-F345 HydrophobicContact CD1-CD2 3.81Å; F311-F345 AromaticContact CD1-CE1 3.68Å; F311-F345 HydrophobicContact CD1-CE1 3.68Å; F311-F345 AromaticContact CD1-CE2 3.82Å; F311-F345 HydrophobicContact CD1-CE2 3.82Å; F311-F345 AromaticContact CD1-CG 3.71Å; F311-F345 HydrophobicContact CD1-CG 3.71Å; F311-F345 AromaticContact CD1-CZ 3.75Å; F311-F345 HydrophobicContact CD1-CZ 3.75Å; F311-F345 HydrophobicContact CD2-CB 3.49Å; F311-F345 VanDerWaalsContact CD2-CB 3.49Å; F311-F345 HydrophobicContact CD2-CD1 4.2Å; F311-F345 AromaticContact CD2-CD2 3.64Å; F311-F345 HydrophobicContact CD2-CD2 3.64Å; F311-F345 HydrophobicContact CD2-CE2 4.4Å; F311-F345 AromaticContact CD2-CG 3.51Å; F311-F345 HydrophobicContact CD2-CG 3.51Å; F311-F345 HydrophobicContact CE1-CB 4.49Å; F311-F345 AromaticContact CE1-CD1 3.66Å; F311-F345 HydrophobicContact CE1-CD1 3.66Å; F311-F345 AromaticContact CE1-CE1 3.93Å; F311-F345 HydrophobicContact CE1-CE1 3.93Å; F311-F345 AromaticContact CE1-CG 3.98Å; F311-F345 HydrophobicContact CE1-CG 3.98Å; F311-F345 HydrophobicContact CE1-CZ 4.46Å; F311-F345 HydrophobicContact CE2-CB 3.48Å; F311-F345 VanDerWaalsContact CE2-CB 3.48Å; F311-F345 HydrophobicContact CE2-CD1 4.19Å; F311-F345 HydrophobicContact CE2-CD2 4.37Å; F311-F345 AromaticContact CE2-CG 3.77Å; F311-F345 HydrophobicContact CE2-CG 3.77Å; F311-F345 HydrophobicContact CG-CB 4.03Å; F311-F345 AromaticContact CG-CD1 3.94Å; F311-F345 HydrophobicContact CG-CD1 3.94Å; F311-F345 AromaticContact CG-CD2 3.3Å; F311-F345 HydrophobicContact CG-CD2 3.3Å; F311-F345 HydrophobicContact CG-CE1 4.21Å; F311-F345 AromaticContact CG-CE2 3.61Å; F311-F345 HydrophobicContact CG-CE2 3.61Å; F311-F345 AromaticContact CG-CG 3.47Å; F311-F345 HydrophobicContact CG-CG 3.47Å; F311-F345 VanDerWaalsContact CG-CG 3.47Å; F311-F345 HydrophobicContact CG-CZ 4.05Å; F311-F345 HydrophobicContact CZ-CB 4.02Å; F311-F345 AromaticContact CZ-CD1 3.93Å; F311-F345 HydrophobicContact CZ-CD1 3.93Å; F311-F345 HydrophobicContact CZ-CG 4.01Å; F311-L488 HydrophobicContact CD1-CD1 4.5Å; F311-L488 HydrophobicContact CE1-CD1 3.81Å; F311-L488 HydrophobicContact CE1-CD2 4.27Å |
| 312 | H | 75.4 | Confident | 74.8 | Confident | 90 Ų | 90 | 66.3 Ų | 66.3 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | -175.3 | -174.5 | 47.2 | 0 | 0 | 0 | 112.5 | L308 A309 Y315 E316 | L308-H312 VanDerWaalsContact O-CB 3.27Å; L308-H312 WeakPolarHBondContact O-CB 3.19Å; L308-H312 PolarHBondContact O-N 2.83Å; A309-H312 PolarHBondContact O-N 2.86Å; A309-H312 VanDerWaalsContact O-N 3.14Å; H312-Y315 PolarHBondContact O-N 2.76Å; H312-E316 VanDerWaalsContact CE1-CG 3.41Å; H312-E316 WeakPolarHBondContact CE1-CG 3.39Å; H312-E316 IonicContact CE1-OE1 3.62Å; H312-E316 WeakPolarHBondContact O-CB 3.45Å; H312-E316 WeakPolarHBondContact O-CG 3.31Å; H312-E316 PolarHBondContact O-N 3.11Å |
| 313 | E | 74.3 | Confident | 75.7 | Confident | 145 Ų | 145 | 68 Ų | 68 | 68% | 0.678 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.7 | -46.1 | 175.1 | -177.1 | 176.1 | -166.7 | 0 | 0 | 112 | A309 F311 T317 | A309-E313 PolarHBondContact O-N 3.03Å; A309-E313 VanDerWaalsContact O-N 3.07Å; F311-E313 PolarHBondContact O-N 3.42Å; E313-T317 WeakPolarHBondContact O-CB 3.47Å; E313-T317 PolarHBondContact O-N 2.88Å; E313-T317 PolarHBondContact O-OG1 2.9Å |
| 314 | Q | 76.8 | Confident | 76.6 | Confident | 93 Ų | 93 | 67.4 Ų | 67.4 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.3 | -37.8 | 177 | -70 | 179.1 | 59.6 | 0 | 0 | 112.3 | D310 F311 T317 R318 | D310-Q314 WeakPolarHBondContact O-CG 3.3Å; D310-Q314 PolarHBondContact O-NE2 3.03Å; F311-Q314 PolarHBondContact O-N 3.08Å; Q314-T317 PolarHBondContact O-N 3.47Å; Q314-R318 WeakPolarHBondContact O-CB 3.36Å; Q314-R318 WeakPolarHBondContact O-CD 3.44Å; Q314-R318 WeakPolarHBondContact O-CG 3.45Å; Q314-R318 PolarHBondContact O-N 3.1Å |
| 315 | Y | 78.3 | Confident | 77.8 | Confident | 7 Ų | 7 | 69.2 Ų | 69.2 | 3% | 0.027 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.2 | -49.3 | -179.1 | -179.7 | -98.9 | 0 | 0 | 0 | 111.4 | F311 H312 T317 R318 L319 L338 L488 V492 | F311-Y315 AromaticContact CE1-CD2 3.8Å; F311-Y315 HydrophobicContact CE1-CD2 3.8Å; F311-Y315 AromaticContact CE1-CG 3.87Å; F311-Y315 HydrophobicContact CE1-CG 3.87Å; F311-Y315 AromaticContact CZ-CD2 3.66Å; F311-Y315 HydrophobicContact CZ-CD2 3.66Å; F311-Y315 HydrophobicContact CZ-CG 4.14Å; F311-Y315 WeakPolarHBondContact O-CB 3.36Å; F311-Y315 PolarHBondContact O-N 3.44Å; H312-Y315 PolarHBondContact O-N 2.76Å; Y315-T317 VanDerWaalsContact C-N 3.25Å; Y315-T317 PolarHBondContact O-N 3.15Å; Y315-R318 PolarHBondContact O-N 2.75Å; Y315-L319 HydrophobicContact CD1-CD1 3.93Å; Y315-L319 HydrophobicContact CD1-CG 4.41Å; Y315-L319 HydrophobicContact CE1-CD1 3.3Å; Y315-L319 HydrophobicContact CE1-CG 3.95Å; Y315-L319 HydrophobicContact CE2-CG 4.45Å; Y315-L319 WeakPolarHBondContact O-CG 3.49Å; Y315-L319 PolarHBondContact O-N 3.02Å; Y315-L338 HydrophobicContact CD2-CD1 3.76Å; Y315-L338 HydrophobicContact CD2-CG 4.43Å; Y315-L338 HydrophobicContact CE2-CD1 3.9Å; Y315-L338 HydrophobicContact CE2-CD2 3.98Å; Y315-L338 HydrophobicContact CE2-CG 4.06Å; Y315-L488 HydrophobicContact CD1-CD2 3.82Å; Y315-L488 HydrophobicContact CE1-CD2 3.58Å; Y315-L488 HydrophobicContact CE2-CD2 4.37Å; Y315-L488 HydrophobicContact CG-CD2 4.31Å; Y315-L488 PolarHBondContact OH-O 3.5Å; Y315-V492 HydrophobicContact CE2-CG2 4.41Å; Y315-V492 WeakPolarHBondContact OH-CG2 3.17Å |
| 316 | E | 77.8 | Confident | 78.7 | Confident | 65 Ų | 65 | 76.2 Ų | 76.2 | 30% | 0.304 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.7 | -30.5 | 175.1 | -78.1 | -63 | 137.8 | 0 | 0 | 113.2 | H312 K320 | H312-E316 VanDerWaalsContact CE1-CG 3.41Å; H312-E316 WeakPolarHBondContact CE1-CG 3.39Å; H312-E316 IonicContact CE1-OE1 3.62Å; H312-E316 WeakPolarHBondContact O-CB 3.45Å; H312-E316 WeakPolarHBondContact O-CG 3.31Å; H312-E316 PolarHBondContact O-N 3.11Å; E316-K320 WeakPolarHBondContact O-CD 3.3Å; E316-K320 VanDerWaalsContact O-CE 3.3Å; E316-K320 WeakPolarHBondContact O-CE 3.33Å; E316-K320 VanDerWaalsContact O-CG 3.28Å; E316-K320 WeakPolarHBondContact O-CG 3.19Å; E316-K320 PolarHBondContact O-N 2.82Å; E316-K320 IonicContact OE2-NZ 3.66Å |
| 317 | T | 81.5 | Confident | 79.6 | Confident | 69 Ų | 69 | 75.3 Ų | 75.3 | 42% | 0.423 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.1 | -52.6 | 174.1 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | E313 Q314 Y315 L319 K320 D321 | E313-T317 WeakPolarHBondContact O-CB 3.47Å; E313-T317 PolarHBondContact O-N 2.88Å; E313-T317 PolarHBondContact O-OG1 2.9Å; Q314-T317 PolarHBondContact O-N 3.47Å; Y315-T317 VanDerWaalsContact C-N 3.25Å; Y315-T317 PolarHBondContact O-N 3.15Å; T317-L319 VanDerWaalsContact C-N 3.28Å; T317-L319 PolarHBondContact O-N 3.09Å; T317-K320 WeakPolarHBondContact O-CB 3.42Å; T317-K320 PolarHBondContact O-N 3.2Å; T317-D321 PolarHBondContact O-N 3.34Å |
| 318 | R | 84 | Confident | 80.3 | Confident | 66 Ų | 66 | 78.1 Ų | 78.1 | 25% | 0.249 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.7 | -36.3 | 178.4 | -67.2 | 167.2 | -162.7 | -159.7 | 9.9 | 112.5 | Q314 Y315 D321 I322 L338 E341 | Q314-R318 WeakPolarHBondContact O-CB 3.36Å; Q314-R318 WeakPolarHBondContact O-CD 3.44Å; Q314-R318 WeakPolarHBondContact O-CG 3.45Å; Q314-R318 PolarHBondContact O-N 3.1Å; Y315-R318 PolarHBondContact O-N 2.75Å; R318-D321 PolarHBondContact O-N 3.21Å; R318-I322 WeakPolarHBondContact O-CB 3.44Å; R318-I322 WeakPolarHBondContact O-CD1 3.48Å; R318-I322 VanDerWaalsContact O-CG1 3.26Å; R318-I322 WeakPolarHBondContact O-CG1 3.24Å; R318-I322 PolarHBondContact O-N 3.18Å; R318-L338 HydrophobicContact CB-CD1 3.99Å; R318-E341 IonicContact CZ-OE2 2.85Å; R318-E341 VanDerWaalsContact NH1-CG 3.29Å; R318-E341 IonicContact NH1-OE2 3.67Å; R318-E341 PolarHBondContact NH1-OE2 3Å; R318-E341 IonicContact NH2-OE2 3.62Å; R318-E341 PolarHBondContact NH2-OE2 2.9Å |
| 319 | L | 81.3 | Confident | 81 | Confident | 6 Ų | 6 | 81.5 Ų | 81.5 | 3% | 0.031 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.5 | -38 | 173.8 | -79.3 | -178.7 | 0 | 0 | 0 | 113.2 | Y315 T317 R323 L338 P491 V492 M495 | Y315-L319 HydrophobicContact CD1-CD1 3.93Å; Y315-L319 HydrophobicContact CD1-CG 4.41Å; Y315-L319 HydrophobicContact CE1-CD1 3.3Å; Y315-L319 HydrophobicContact CE1-CG 3.95Å; Y315-L319 HydrophobicContact CE2-CG 4.45Å; Y315-L319 WeakPolarHBondContact O-CG 3.49Å; Y315-L319 PolarHBondContact O-N 3.02Å; T317-L319 VanDerWaalsContact C-N 3.28Å; T317-L319 PolarHBondContact O-N 3.09Å; L319-R323 WeakPolarHBondContact O-CB 3.38Å; L319-R323 WeakPolarHBondContact O-CD 3.44Å; L319-R323 VanDerWaalsContact O-CG 3.26Å; L319-R323 WeakPolarHBondContact O-CG 3.47Å; L319-R323 PolarHBondContact O-N 2.74Å; L319-L338 HydrophobicContact CD2-CD2 3.75Å; L319-L338 HydrophobicContact CG-CD2 4.33Å; L319-P491 HydrophobicContact CD2-CB 4.3Å; L319-V492 HydrophobicContact CD2-CG2 4.35Å; L319-M495 HydrophobicContact CD2-CE 3.57Å |
| 320 | K | 85.2 | Confident | 81.7 | Confident | 123 Ų | 123 | 82.5 Ų | 82.5 | 54% | 0.535 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -71.3 | -41.7 | 177.4 | -69.8 | 159.4 | -165.1 | 152.7 | 0 | 110.8 | E316 T317 R323 A324 | E316-K320 WeakPolarHBondContact O-CD 3.3Å; E316-K320 VanDerWaalsContact O-CE 3.3Å; E316-K320 WeakPolarHBondContact O-CE 3.33Å; E316-K320 VanDerWaalsContact O-CG 3.28Å; E316-K320 WeakPolarHBondContact O-CG 3.19Å; E316-K320 PolarHBondContact O-N 2.82Å; E316-K320 IonicContact OE2-NZ 3.66Å; T317-K320 WeakPolarHBondContact O-CB 3.42Å; T317-K320 PolarHBondContact O-N 3.2Å; K320-R323 PolarHBondContact O-N 3.16Å; K320-A324 PolarHBondContact O-N 3.25Å |
| 321 | D | 85.7 | Confident | 82.3 | Confident | 96 Ų | 96 | 78.9 Ų | 78.9 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.7 | -49 | 175.9 | -62 | -25.6 | 0 | 0 | 0 | 111 | T317 R318 R323 A324 I325 | T317-D321 PolarHBondContact O-N 3.34Å; R318-D321 PolarHBondContact O-N 3.21Å; D321-R323 VanDerWaalsContact C-N 3.34Å; D321-R323 PolarHBondContact O-N 2.91Å; D321-A324 PolarHBondContact O-N 3.08Å; D321-I325 WeakPolarHBondContact O-CG1 3.42Å |
| 322 | I | 85.9 | Confident | 82.6 | Confident | 7 Ų | 7 | 85 Ų | 85 | 4% | 0.036 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 177.7 | -73.3 | 165.7 | 0 | 0 | 0 | 111.7 | R318 A324 I325 K334 I335 L338 M495 | R318-I322 WeakPolarHBondContact O-CB 3.44Å; R318-I322 WeakPolarHBondContact O-CD1 3.48Å; R318-I322 VanDerWaalsContact O-CG1 3.26Å; R318-I322 WeakPolarHBondContact O-CG1 3.24Å; R318-I322 PolarHBondContact O-N 3.18Å; I322-A324 PolarHBondContact O-N 3.17Å; I322-A324 VanDerWaalsContact O-N 3.14Å; I322-I325 PolarHBondContact O-N 2.84Å; I322-I325 VanDerWaalsContact O-N 3.14Å; I322-K334 HydrophobicContact CD1-CB 4.16Å; I322-K334 HydrophobicContact CG1-CB 3.72Å; I322-I335 HydrophobicContact CG2-CG1 4Å; I322-L338 HydrophobicContact CD1-CB 4.11Å; I322-L338 HydrophobicContact CD1-CD2 3.73Å; I322-M495 HydrophobicContact CG2-SD 4.48Å |
| 323 | R | 83.2 | Confident | 83.2 | Confident | 152 Ų | 152 | 86 Ų | 86 | 57% | 0.574 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -9.3 | 178.6 | -73.8 | 171.5 | 174.7 | 171.3 | -2.3 | 114.4 | L319 K320 D321 M495 | L319-R323 WeakPolarHBondContact O-CB 3.38Å; L319-R323 WeakPolarHBondContact O-CD 3.44Å; L319-R323 VanDerWaalsContact O-CG 3.26Å; L319-R323 WeakPolarHBondContact O-CG 3.47Å; L319-R323 PolarHBondContact O-N 2.74Å; K320-R323 PolarHBondContact O-N 3.16Å; D321-R323 VanDerWaalsContact C-N 3.34Å; D321-R323 PolarHBondContact O-N 2.91Å; R323-M495 HydrophobicContact CG-CE 4.31Å; R323-M495 HydrophobicContact CG-SD 3.49Å; R323-M495 WeakPolarHBondContact CG-SD 3.5Å; R323-M495 PolarHBondContact NE-SD 2.71Å; R323-M495 VanDerWaalsContact NE-SD 3.42Å |
| 324 | A | 85.7 | Confident | 83.7 | Confident | 80 Ų | 80 | 83.4 Ų | 83.4 | 66% | 0.661 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 1.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K320 D321 I322 | K320-A324 PolarHBondContact O-N 3.25Å; D321-A324 PolarHBondContact O-N 3.08Å; I322-A324 PolarHBondContact O-N 3.17Å; I322-A324 VanDerWaalsContact O-N 3.14Å |
| 325 | I | 88.7 | Confident | 84.1 | Confident | 47 Ų | 47 | 79 Ų | 79 | 24% | 0.241 | 40% | 0.395 | C | S | . | . | trans | -86.5 | 119 | 178.9 | -60.7 | 171.3 | 0 | 0 | 0 | 110.1 | D321 I322 D327 L330 C331 K334 | D321-I325 WeakPolarHBondContact O-CG1 3.42Å; I322-I325 PolarHBondContact O-N 2.84Å; I322-I325 VanDerWaalsContact O-N 3.14Å; I325-D327 HydrophobicContact CG2-CB 4.1Å; I325-D327 VanDerWaalsContact CG2-O 3.27Å; I325-D327 WeakPolarHBondContact CG2-O 3.32Å; I325-L330 HydrophobicContact CD1-CG 4.42Å; I325-L330 HydrophobicContact CG2-CB 4.14Å; I325-L330 HydrophobicContact CG2-CD2 4.17Å; I325-L330 HydrophobicContact CG2-CG 4.18Å; I325-C331 HydrophobicContact CB-CB 4.27Å; I325-C331 HydrophobicContact CG2-CB 3.98Å; I325-K334 HydrophobicContact CD1-CB 4.19Å; I325-K334 HydrophobicContact CD1-CG 3.91Å | ||
| 326 | E | 83.4 | Confident | 84.4 | Confident | 196 Ų | 196 | 84.2 Ų | 84.2 | 92% | 0.916 | 42% | 0.423 | S | S | * | . | trans | -82.5 | -18 | 174.8 | -61.3 | -175.7 | 163.3 | 0 | 0 | 113.5 | P328 | E326-P328 WeakPolarHBondContact O-CD 3.44Š| ||
| 327 | D | 88.4 | Confident | 84.8 | Confident | 78 Ų | 78 | 84.9 Ų | 84.9 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | trans | -85.7 | 114.3 | 179.6 | 175.7 | -9.1 | 0 | 0 | 0 | 111.5 | I325 D329 L330 C331 | I325-D327 HydrophobicContact CG2-CB 4.1Å; I325-D327 VanDerWaalsContact CG2-O 3.27Å; I325-D327 WeakPolarHBondContact CG2-O 3.32Å; D327-D329 PolarHBondContact O-N 3.28Å; D327-D329 PolarHBondContact OD1-N 2.97Å; D327-L330 HydrophobicContact CB-CB 3.92Å; D327-L330 PolarHBondContact O-N 3.39Å; D327-L330 PolarHBondContact OD1-N 2.88Å; D327-L330 WeakPolarHBondContact OD2-CB 3.36Å; D327-C331 VanDerWaalsContact O-CB 3.24Å; D327-C331 WeakPolarHBondContact O-CB 3.48Å; D327-C331 PolarHBondContact O-N 2.63Å | ||
| 328 | P | 82.3 | Confident | 85 | Confident | 97 Ų | 97 | 81.7 Ų | 81.7 | 63% | 0.63 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.7 | -35.3 | -177.3 | -23.4 | 34.8 | 0 | 0 | 0 | 114.8 | E326 R332 | E326-P328 WeakPolarHBondContact O-CD 3.44Å; P328-R332 PolarHBondContact O-N 3.04Å |
| 329 | D | 83.8 | Confident | 84.9 | Confident | 122 Ų | 122 | 82.2 Ų | 82.2 | 65% | 0.652 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -77.1 | -39.7 | -176.4 | -74.8 | -32.7 | 0 | 0 | 0 | 110.4 | D327 R332 L333 | D327-D329 PolarHBondContact O-N 3.28Å; D327-D329 PolarHBondContact OD1-N 2.97Å; D329-R332 PolarHBondContact O-N 2.97Å; D329-L333 WeakPolarHBondContact O-CG 3.24Å; D329-L333 PolarHBondContact O-N 3.35Å; D329-L333 VanDerWaalsContact O-N 3.14Å |
| 330 | L | 85 | Confident | 85.1 | Confident | 77 Ų | 77 | 87.8 Ų | 87.8 | 40% | 0.403 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 171.7 | -177.2 | 61.2 | 0 | 0 | 0 | 112 | I325 D327 L333 K334 | I325-L330 HydrophobicContact CD1-CG 4.42Å; I325-L330 HydrophobicContact CG2-CB 4.14Å; I325-L330 HydrophobicContact CG2-CD2 4.17Å; I325-L330 HydrophobicContact CG2-CG 4.18Å; D327-L330 HydrophobicContact CB-CB 3.92Å; D327-L330 PolarHBondContact O-N 3.39Å; D327-L330 PolarHBondContact OD1-N 2.88Å; D327-L330 WeakPolarHBondContact OD2-CB 3.36Å; L330-L333 PolarHBondContact O-N 3.38Å; L330-K334 WeakPolarHBondContact O-CG 3.46Å; L330-K334 PolarHBondContact O-N 3.48Å; L330-K334 VanDerWaalsContact O-N 3.11Å |
| 331 | C | 84.7 | Confident | 85.1 | Confident | 22 Ų | 22 | 84.2 Ų | 84.2 | 15% | 0.149 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.8 | -48.9 | 175.9 | -172.7 | 0 | 0 | 0 | 0 | 111 | I325 D327 L333 K334 I335 | I325-C331 HydrophobicContact CB-CB 4.27Å; I325-C331 HydrophobicContact CG2-CB 3.98Å; D327-C331 VanDerWaalsContact O-CB 3.24Å; D327-C331 WeakPolarHBondContact O-CB 3.48Å; D327-C331 PolarHBondContact O-N 2.63Å; C331-L333 PolarHBondContact O-N 2.94Å; C331-K334 PolarHBondContact O-N 2.87Å; C331-I335 WeakPolarHBondContact O-CG1 3.48Å; C331-I335 PolarHBondContact O-N 2.82Å |
| 332 | R | 84.1 | Confident | 84.8 | Confident | 147 Ų | 147 | 79.7 Ų | 79.7 | 56% | 0.555 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.5 | -41.1 | 176 | -87.4 | -171 | 157.7 | 154 | 4 | 114 | P328 D329 K334 I335 L336 D496 | P328-R332 PolarHBondContact O-N 3.04Å; D329-R332 PolarHBondContact O-N 2.97Å; R332-K334 VanDerWaalsContact C-N 3.28Å; R332-K334 PolarHBondContact O-N 3.35Å; R332-I335 PolarHBondContact O-N 3.18Å; R332-L336 WeakPolarHBondContact O-CB 3.39Å; R332-L336 PolarHBondContact O-N 3.46Å; R332-D496 IonicContact NE-OD1 3.91Å; R332-D496 PolarHBondContact NH2-O 3.05Å |
| 333 | L | 86.3 | Confident | 84.3 | Confident | 111 Ų | 111 | 80.5 Ų | 80.5 | 58% | 0.581 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.5 | -39.3 | 174.1 | -72.9 | 170 | 0 | 0 | 0 | 111.7 | D329 L330 C331 L336 D337 | D329-L333 WeakPolarHBondContact O-CG 3.24Å; D329-L333 PolarHBondContact O-N 3.35Å; D329-L333 VanDerWaalsContact O-N 3.14Å; L330-L333 PolarHBondContact O-N 3.38Å; C331-L333 PolarHBondContact O-N 2.94Å; L333-L336 PolarHBondContact O-N 3.4Å; L333-D337 PolarHBondContact O-N 2.9Å |
| 334 | K | 85.6 | Confident | 84.3 | Confident | 90 Ų | 90 | 78.1 Ų | 78.1 | 39% | 0.391 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -74.7 | -32.3 | 178.6 | -70.2 | -73.3 | 155.7 | -146.4 | 0 | 114 | I322 I325 L330 C331 R332 L336 D337 L338 | I322-K334 HydrophobicContact CD1-CB 4.16Å; I322-K334 HydrophobicContact CG1-CB 3.72Å; I325-K334 HydrophobicContact CD1-CB 4.19Å; I325-K334 HydrophobicContact CD1-CG 3.91Å; L330-K334 WeakPolarHBondContact O-CG 3.46Å; L330-K334 PolarHBondContact O-N 3.48Å; L330-K334 VanDerWaalsContact O-N 3.11Å; C331-K334 PolarHBondContact O-N 2.87Å; R332-K334 VanDerWaalsContact C-N 3.28Å; R332-K334 PolarHBondContact O-N 3.35Å; K334-L336 VanDerWaalsContact C-N 3.33Å; K334-D337 IonicContact NZ-OD2 3.54Å; K334-D337 PolarHBondContact NZ-OD2 3.48Å; K334-L338 WeakPolarHBondContact O-CB 3.29Å; K334-L338 PolarHBondContact O-N 3.41Å |
| 335 | I | 85.3 | Confident | 84 | Confident | 2 Ų | 2 | 74.8 Ų | 74.8 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 168.9 | -72.7 | 167.3 | 0 | 0 | 0 | 110.3 | I322 C331 R332 L338 R339 V492 M495 D496 | I322-I335 HydrophobicContact CG2-CG1 4Å; C331-I335 WeakPolarHBondContact O-CG1 3.48Å; C331-I335 PolarHBondContact O-N 2.82Å; R332-I335 PolarHBondContact O-N 3.18Å; I335-L338 PolarHBondContact O-N 3.12Å; I335-R339 WeakPolarHBondContact O-CG 3.35Å; I335-R339 PolarHBondContact O-N 3.26Å; I335-V492 HydrophobicContact CG2-CG1 3.85Å; I335-M495 HydrophobicContact CD1-CB 4.17Å; I335-M495 WeakPolarHBondContact CD1-O 3.35Å; I335-D496 HydrophobicContact CD1-CB 4.42Å; I335-D496 HydrophobicContact CG2-CB 4.09Å |
| 336 | L | 84.8 | Confident | 83.3 | Confident | 116 Ų | 116 | 73.5 Ų | 73.5 | 61% | 0.607 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68.1 | -43.3 | 178.9 | -157.6 | 158.6 | 0 | 0 | 0 | 111.9 | R332 L333 K334 L338 R339 H340 | R332-L336 WeakPolarHBondContact O-CB 3.39Å; R332-L336 PolarHBondContact O-N 3.46Å; L333-L336 PolarHBondContact O-N 3.4Å; K334-L336 VanDerWaalsContact C-N 3.33Å; L336-L338 VanDerWaalsContact C-N 3.3Å; L336-L338 PolarHBondContact O-N 3.49Å; L336-R339 PolarHBondContact O-N 3.32Å; L336-H340 PolarHBondContact O-N 2.77Å |
| 337 | D | 86.3 | Confident | 83.1 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -52.8 | -47.3 | 169.1 | -82.6 | -19.1 | 0 | 0 | 0 | 111.3 | L333 K334 H340 E341 | L333-D337 PolarHBondContact O-N 2.9Å; K334-D337 IonicContact NZ-OD2 3.54Å; K334-D337 PolarHBondContact NZ-OD2 3.48Å; D337-H340 PolarHBondContact O-N 2.73Å; D337-E341 WeakPolarHBondContact O-CG 3.49Å; D337-E341 PolarHBondContact O-N 3.35Å |
| 338 | L | 84.7 | Confident | 82.4 | Confident | 3 Ų | 3 | 73.2 Ų | 73.2 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66 | -44.5 | -178.2 | -173.1 | 62.3 | 0 | 0 | 0 | 111.8 | Y315 R318 L319 I322 K334 I335 L336 H340 E341 T342 V492 | Y315-L338 HydrophobicContact CD2-CD1 3.76Å; Y315-L338 HydrophobicContact CD2-CG 4.43Å; Y315-L338 HydrophobicContact CE2-CD1 3.9Å; Y315-L338 HydrophobicContact CE2-CD2 3.98Å; Y315-L338 HydrophobicContact CE2-CG 4.06Å; R318-L338 HydrophobicContact CB-CD1 3.99Å; L319-L338 HydrophobicContact CD2-CD2 3.75Å; L319-L338 HydrophobicContact CG-CD2 4.33Å; I322-L338 HydrophobicContact CD1-CB 4.11Å; I322-L338 HydrophobicContact CD1-CD2 3.73Å; K334-L338 WeakPolarHBondContact O-CB 3.29Å; K334-L338 PolarHBondContact O-N 3.41Å; I335-L338 PolarHBondContact O-N 3.12Å; L336-L338 VanDerWaalsContact C-N 3.3Å; L336-L338 PolarHBondContact O-N 3.49Å; L338-H340 VanDerWaalsContact C-N 3.33Å; L338-H340 PolarHBondContact O-N 3.42Å; L338-E341 PolarHBondContact O-N 3.04Å; L338-T342 WeakPolarHBondContact O-CB 3.44Å; L338-T342 PolarHBondContact O-N 2.96Å; L338-T342 PolarHBondContact O-OG1 3.37Å; L338-V492 HydrophobicContact CD2-CG1 4.3Å; L338-V492 HydrophobicContact CD2-CG2 3.74Å; L338-V492 HydrophobicContact CG-CG2 4.34Å |
| 339 | R | 82.4 | Confident | 81.8 | Confident | 76 Ų | 76 | 69.3 Ų | 69.3 | 29% | 0.287 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.4 | -44.1 | 174.7 | -72.2 | -177.2 | -178.8 | 154.7 | 3.4 | 111.8 | I335 L336 T342 A343 L489 V492 D496 | I335-R339 WeakPolarHBondContact O-CG 3.35Å; I335-R339 PolarHBondContact O-N 3.26Å; L336-R339 PolarHBondContact O-N 3.32Å; R339-T342 PolarHBondContact O-N 2.92Å; R339-A343 WeakPolarHBondContact O-CB 3.41Å; R339-A343 PolarHBondContact O-N 3.01Å; R339-L489 HydrophobicContact CG-CD2 4.37Å; R339-V492 HydrophobicContact CG-CG1 3.6Å; R339-V492 PolarHBondContact NH2-O 3.13Å; R339-D496 IonicContact CZ-OD2 2.79Å; R339-D496 IonicContact NH1-OD2 3.17Å; R339-D496 PolarHBondContact NH1-OD2 3.06Å; R339-D496 VanDerWaalsContact NH2-CG 3.34Å; R339-D496 IonicContact NH2-OD2 3.9Å; R339-D496 PolarHBondContact NH2-OD2 3.42Å |
| 340 | H | 85.4 | Confident | 81.2 | Confident | 124 Ų | 124 | 65.6 Ų | 65.6 | 57% | 0.574 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.6 | -43.4 | 177.6 | 176.7 | -99.5 | 0 | 0 | 0 | 112.2 | L336 D337 L338 A343 K344 | L336-H340 PolarHBondContact O-N 2.77Å; D337-H340 PolarHBondContact O-N 2.73Å; L338-H340 VanDerWaalsContact C-N 3.33Å; L338-H340 PolarHBondContact O-N 3.42Å; H340-A343 PolarHBondContact O-N 3.28Å; H340-K344 WeakPolarHBondContact O-CB 3.31Å; H340-K344 PolarHBondContact O-N 2.94Å |
| 341 | E | 84.8 | Confident | 80.6 | Confident | 48 Ų | 48 | 64.1 Ų | 64.1 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.1 | -36.3 | 178.6 | -74.7 | -89.1 | 111.7 | 0 | 0 | 112.8 | R318 D337 L338 K344 F345 | R318-E341 IonicContact CZ-OE2 2.85Å; R318-E341 VanDerWaalsContact NH1-CG 3.29Å; R318-E341 IonicContact NH1-OE2 3.67Å; R318-E341 PolarHBondContact NH1-OE2 3Å; R318-E341 IonicContact NH2-OE2 3.62Å; R318-E341 PolarHBondContact NH2-OE2 2.9Å; D337-E341 WeakPolarHBondContact O-CG 3.49Å; D337-E341 PolarHBondContact O-N 3.35Å; L338-E341 PolarHBondContact O-N 3.04Å; E341-K344 WeakPolarHBondContact O-CB 3.27Å; E341-K344 PolarHBondContact O-N 2.99Å; E341-K344 VanDerWaalsContact OE1-CD 3.23Å; E341-K344 WeakPolarHBondContact OE1-CD 3.49Å; E341-K344 WeakPolarHBondContact OE1-CE 3.26Å; E341-K344 IonicContact OE1-NZ 3.46Å; E341-K344 PolarHBondContact OE1-NZ 2.88Å; E341-F345 WeakPolarHBondContact O-CB 3.44Å; E341-F345 PolarHBondContact O-N 3.2Å |
| 342 | T | 79.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 171.9 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | F311 L338 R339 K344 F345 F346 Y485 L488 | F311-T342 HydrophobicContact CZ-CG2 4.24Å; L338-T342 WeakPolarHBondContact O-CB 3.44Å; L338-T342 PolarHBondContact O-N 2.96Å; L338-T342 PolarHBondContact O-OG1 3.37Å; R339-T342 PolarHBondContact O-N 2.92Å; T342-K344 VanDerWaalsContact C-N 3.32Å; T342-K344 PolarHBondContact O-N 3.39Å; T342-F345 PolarHBondContact O-N 3.33Å; T342-F346 WeakPolarHBondContact O-CB 3.35Å; T342-F346 PolarHBondContact O-N 3.28Å; T342-Y485 HydrophobicContact CG2-CD2 3.93Å; T342-Y485 HydrophobicContact CG2-CE2 3.91Å; T342-L488 HydrophobicContact CG2-CB 3.9Å; T342-L488 HydrophobicContact CG2-CD1 4.26Å |
| 343 | A | 76.4 | Confident | 79.4 | Confident | 25 Ų | 25 | 57 Ų | 57 | 21% | 0.207 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.2 | -31.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R339 H340 K347 Y485 | R339-A343 WeakPolarHBondContact O-CB 3.41Å; R339-A343 PolarHBondContact O-N 3.01Å; H340-A343 PolarHBondContact O-N 3.28Å; A343-K347 WeakPolarHBondContact O-CG 3.23Å; A343-K347 PolarHBondContact O-N 3.19Å; A343-K347 VanDerWaalsContact O-N 3.17Å; A343-Y485 HydrophobicContact CB-CE2 4.32Å |
| 344 | K | 82.6 | Confident | 78.7 | Confident | 102 Ų | 102 | 58.8 Ų | 58.8 | 44% | 0.443 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72.9 | -38 | 174.3 | 177.2 | -176.7 | 169.3 | -169.5 | 0 | 112.2 | H340 E341 T342 K348 | H340-K344 WeakPolarHBondContact O-CB 3.31Å; H340-K344 PolarHBondContact O-N 2.94Å; E341-K344 WeakPolarHBondContact O-CB 3.27Å; E341-K344 PolarHBondContact O-N 2.99Å; E341-K344 VanDerWaalsContact OE1-CD 3.23Å; E341-K344 WeakPolarHBondContact OE1-CD 3.49Å; E341-K344 WeakPolarHBondContact OE1-CE 3.26Å; E341-K344 IonicContact OE1-NZ 3.46Å; E341-K344 PolarHBondContact OE1-NZ 2.88Å; T342-K344 VanDerWaalsContact C-N 3.32Å; T342-K344 PolarHBondContact O-N 3.39Å; K344-K348 PolarHBondContact O-N 3.25Å |
| 345 | F | 79.6 | Confident | 77.9 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 4% | 0.044 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63 | -47.4 | 170.2 | 160.7 | -102.5 | 0 | 0 | 0 | 111.7 | I307 L308 F311 E341 T342 K347 K348 L349 Y484 L488 | I307-F345 HydrophobicContact CG2-CD2 4.1Å; I307-F345 HydrophobicContact CG2-CE2 3.77Å; I307-F345 WeakPolarHBondContact O-CE2 3.31Å; L308-F345 HydrophobicContact CD2-CZ 4.06Å; F311-F345 HydrophobicContact CB-CD2 3.4Å; F311-F345 VanDerWaalsContact CB-CD2 3.4Å; F311-F345 HydrophobicContact CB-CE2 3.42Å; F311-F345 VanDerWaalsContact CB-CE2 3.42Å; F311-F345 HydrophobicContact CB-CG 4.12Å; F311-F345 HydrophobicContact CB-CZ 4.16Å; F311-F345 HydrophobicContact CD1-CB 4.49Å; F311-F345 AromaticContact CD1-CD1 3.65Å; F311-F345 HydrophobicContact CD1-CD1 3.65Å; F311-F345 AromaticContact CD1-CD2 3.81Å; F311-F345 HydrophobicContact CD1-CD2 3.81Å; F311-F345 AromaticContact CD1-CE1 3.68Å; F311-F345 HydrophobicContact CD1-CE1 3.68Å; F311-F345 AromaticContact CD1-CE2 3.82Å; F311-F345 HydrophobicContact CD1-CE2 3.82Å; F311-F345 AromaticContact CD1-CG 3.71Å; F311-F345 HydrophobicContact CD1-CG 3.71Å; F311-F345 AromaticContact CD1-CZ 3.75Å; F311-F345 HydrophobicContact CD1-CZ 3.75Å; F311-F345 HydrophobicContact CD2-CB 3.49Å; F311-F345 VanDerWaalsContact CD2-CB 3.49Å; F311-F345 HydrophobicContact CD2-CD1 4.2Å; F311-F345 AromaticContact CD2-CD2 3.64Å; F311-F345 HydrophobicContact CD2-CD2 3.64Å; F311-F345 HydrophobicContact CD2-CE2 4.4Å; F311-F345 AromaticContact CD2-CG 3.51Å; F311-F345 HydrophobicContact CD2-CG 3.51Å; F311-F345 HydrophobicContact CE1-CB 4.49Å; F311-F345 AromaticContact CE1-CD1 3.66Å; F311-F345 HydrophobicContact CE1-CD1 3.66Å; F311-F345 AromaticContact CE1-CE1 3.93Å; F311-F345 HydrophobicContact CE1-CE1 3.93Å; F311-F345 AromaticContact CE1-CG 3.98Å; F311-F345 HydrophobicContact CE1-CG 3.98Å; F311-F345 HydrophobicContact CE1-CZ 4.46Å; F311-F345 HydrophobicContact CE2-CB 3.48Å; F311-F345 VanDerWaalsContact CE2-CB 3.48Å; F311-F345 HydrophobicContact CE2-CD1 4.19Å; F311-F345 HydrophobicContact CE2-CD2 4.37Å; F311-F345 AromaticContact CE2-CG 3.77Å; F311-F345 HydrophobicContact CE2-CG 3.77Å; F311-F345 HydrophobicContact CG-CB 4.03Å; F311-F345 AromaticContact CG-CD1 3.94Å; F311-F345 HydrophobicContact CG-CD1 3.94Å; F311-F345 AromaticContact CG-CD2 3.3Å; F311-F345 HydrophobicContact CG-CD2 3.3Å; F311-F345 HydrophobicContact CG-CE1 4.21Å; F311-F345 AromaticContact CG-CE2 3.61Å; F311-F345 HydrophobicContact CG-CE2 3.61Å; F311-F345 AromaticContact CG-CG 3.47Å; F311-F345 HydrophobicContact CG-CG 3.47Å; F311-F345 VanDerWaalsContact CG-CG 3.47Å; F311-F345 HydrophobicContact CG-CZ 4.05Å; F311-F345 HydrophobicContact CZ-CB 4.02Å; F311-F345 AromaticContact CZ-CD1 3.93Å; F311-F345 HydrophobicContact CZ-CD1 3.93Å; F311-F345 HydrophobicContact CZ-CG 4.01Å; E341-F345 WeakPolarHBondContact O-CB 3.44Å; E341-F345 PolarHBondContact O-N 3.2Å; T342-F345 PolarHBondContact O-N 3.33Å; F345-K347 VanDerWaalsContact C-N 3.31Å; F345-K347 PolarHBondContact O-N 2.91Å; F345-K348 WeakPolarHBondContact O-CA 3.02Å; F345-K348 WeakPolarHBondContact O-CB 3.26Å; F345-K348 PolarHBondContact O-N 3.03Å; F345-L349 HydrophobicContact CE1-CD1 3.78Å; F345-L349 HydrophobicContact CE1-CG 4.5Å; F345-L349 HydrophobicContact CE2-CD1 4.15Å; F345-L349 HydrophobicContact CE2-CD2 4.49Å; F345-L349 HydrophobicContact CE2-CG 4.18Å; F345-L349 HydrophobicContact CZ-CD1 3.51Å; F345-L349 HydrophobicContact CZ-CG 4.05Å; F345-L349 PolarHBondContact O-N 2.89Å; F345-Y484 HydrophobicContact CE1-CD1 4.23Å; F345-Y484 AromaticContact CE1-CE1 3.82Å; F345-Y484 HydrophobicContact CE1-CE1 3.82Å; F345-Y484 AromaticContact CZ-CE1 3.91Å; F345-Y484 HydrophobicContact CZ-CE1 3.91Å; F345-L488 HydrophobicContact CD1-CD1 4.21Å; F345-L488 HydrophobicContact CE1-CD1 3.77Å |
| 346 | F | 74.8 | Confident | 77 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 9% | 0.088 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54.8 | -44.6 | 176.1 | 178.6 | -109.8 | 0 | 0 | 0 | 112.7 | T342 K348 L349 L350 I481 Y482 Y485 | T342-F346 WeakPolarHBondContact O-CB 3.35Å; T342-F346 PolarHBondContact O-N 3.28Å; F346-K348 VanDerWaalsContact C-N 3.28Å; F346-K348 PolarHBondContact O-N 2.94Å; F346-L349 PolarHBondContact O-N 3.14Å; F346-L350 HydrophobicContact CD1-CD1 4.1Å; F346-L350 HydrophobicContact CE1-CD1 3.43Å; F346-L350 VanDerWaalsContact CE1-CD1 3.43Å; F346-L350 HydrophobicContact CE1-CG 4.22Å; F346-L350 HydrophobicContact CE2-CD1 4.41Å; F346-L350 HydrophobicContact CE2-CG 4.43Å; F346-L350 HydrophobicContact CZ-CD1 3.61Å; F346-L350 HydrophobicContact CZ-CD2 4.44Å; F346-L350 HydrophobicContact CZ-CG 4.08Å; F346-L350 PolarHBondContact O-N 3.24Å; F346-I481 HydrophobicContact CD2-CG2 3.83Å; F346-I481 HydrophobicContact CE2-CG2 3.49Å; F346-I481 VanDerWaalsContact CE2-CG2 3.49Å; F346-I481 WeakPolarHBondContact CE2-O 3.31Å; F346-I481 HydrophobicContact CZ-CG2 4.39Å; F346-Y482 HydrophobicContact CE1-CD1 4.34Å; F346-Y482 AromaticContact CE1-CE1 3.87Å; F346-Y482 HydrophobicContact CE1-CE1 3.87Å; F346-Y482 HydrophobicContact CE2-CD1 4.19Å; F346-Y482 HydrophobicContact CE2-CE1 4.49Å; F346-Y482 HydrophobicContact CE2-CG 4.24Å; F346-Y482 AromaticContact CZ-CD1 3.5Å; F346-Y482 HydrophobicContact CZ-CD1 3.5Å; F346-Y482 HydrophobicContact CZ-CD2 4.04Å; F346-Y482 AromaticContact CZ-CE1 3.41Å; F346-Y482 HydrophobicContact CZ-CE1 3.41Å; F346-Y482 VanDerWaalsContact CZ-CE1 3.41Å; F346-Y482 AromaticContact CZ-CE2 3.95Å; F346-Y482 HydrophobicContact CZ-CE2 3.95Å; F346-Y482 AromaticContact CZ-CG 3.82Å; F346-Y482 HydrophobicContact CZ-CG 3.82Å; F346-Y482 AromaticContact CZ-CZ 3.64Å; F346-Y485 HydrophobicContact CB-CD2 3.62Å; F346-Y485 HydrophobicContact CB-CE2 3.98Å; F346-Y485 HydrophobicContact CB-CG 4.28Å; F346-Y485 HydrophobicContact CD1-CD2 4.45Å; F346-Y485 HydrophobicContact CD1-CG 4.48Å; F346-Y485 VanDerWaalsContact CD2-CB 3.46Å; F346-Y485 HydrophobicContact CD2-CD1 4.49Å; F346-Y485 AromaticContact CD2-CD2 3.93Å; F346-Y485 HydrophobicContact CD2-CD2 3.93Å; F346-Y485 AromaticContact CD2-CG 3.72Å; F346-Y485 HydrophobicContact CD2-CG 3.72Å; F346-Y485 HydrophobicContact CE2-CG 4.09Å; F346-Y485 AromaticContact CG-CD2 3.76Å; F346-Y485 HydrophobicContact CG-CD2 3.76Å; F346-Y485 HydrophobicContact CG-CE2 4.26Å; F346-Y485 AromaticContact CG-CG 3.92Å; F346-Y485 HydrophobicContact CG-CG 3.92Å |
| 347 | K | 77.6 | Confident | 76.2 | Confident | 150 Ų | 150 | 54.3 Ų | 54.3 | 65% | 0.652 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.5 | -31.7 | 173.9 | -74.4 | 173.1 | -178.7 | 179.7 | 0 | 113.5 | A343 F345 A351 | A343-K347 WeakPolarHBondContact O-CG 3.23Å; A343-K347 PolarHBondContact O-N 3.19Å; A343-K347 VanDerWaalsContact O-N 3.17Å; F345-K347 VanDerWaalsContact C-N 3.31Å; F345-K347 PolarHBondContact O-N 2.91Å; K347-A351 VanDerWaalsContact O-CB 3.3Å; K347-A351 WeakPolarHBondContact O-CB 3.3Å; K347-A351 PolarHBondContact O-N 3.13Å |
| 348 | K | 74.8 | Confident | 75.5 | Confident | 118 Ų | 118 | 55.8 Ų | 55.8 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.3 | -40.6 | 173.8 | -67.6 | 178.9 | 175.8 | -175 | 0 | 112.2 | K344 F345 F346 A351 L352 | K344-K348 PolarHBondContact O-N 3.25Å; F345-K348 WeakPolarHBondContact O-CA 3.02Å; F345-K348 WeakPolarHBondContact O-CB 3.26Å; F345-K348 PolarHBondContact O-N 3.03Å; F346-K348 VanDerWaalsContact C-N 3.28Å; F346-K348 PolarHBondContact O-N 2.94Å; K348-A351 PolarHBondContact O-N 3.41Å; K348-L352 PolarHBondContact O-N 2.97Å |
| 349 | L | 69.1 | Low | 74.6 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 177 | -70.6 | -178.2 | 0 | 0 | 0 | 111.6 | I307 L308 F345 F346 A351 L352 E353 I481 | I307-L349 HydrophobicContact CG2-CD2 3.78Å; I307-L349 HydrophobicContact CG2-CG 4.44Å; L308-L349 HydrophobicContact CD2-CD1 4.49Å; F345-L349 HydrophobicContact CE1-CD1 3.78Å; F345-L349 HydrophobicContact CE1-CG 4.5Å; F345-L349 HydrophobicContact CE2-CD1 4.15Å; F345-L349 HydrophobicContact CE2-CD2 4.49Å; F345-L349 HydrophobicContact CE2-CG 4.18Å; F345-L349 HydrophobicContact CZ-CD1 3.51Å; F345-L349 HydrophobicContact CZ-CG 4.05Å; F345-L349 PolarHBondContact O-N 2.89Å; F346-L349 PolarHBondContact O-N 3.14Å; L349-A351 VanDerWaalsContact C-N 3.34Å; L349-A351 PolarHBondContact O-N 2.85Å; L349-L352 PolarHBondContact O-N 3.46Å; L349-E353 PolarHBondContact O-N 3.13Å; L349-I481 HydrophobicContact CB-CG2 4.03Å; L349-I481 HydrophobicContact CD1-CG2 4.42Å |
| 350 | L | 70.9 | Confident | 73.7 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 174.6 | -69.8 | -178.1 | 0 | 0 | 0 | 112.6 | F346 L352 E353 F354 I481 | F346-L350 HydrophobicContact CD1-CD1 4.1Å; F346-L350 HydrophobicContact CE1-CD1 3.43Å; F346-L350 VanDerWaalsContact CE1-CD1 3.43Å; F346-L350 HydrophobicContact CE1-CG 4.22Å; F346-L350 HydrophobicContact CE2-CD1 4.41Å; F346-L350 HydrophobicContact CE2-CG 4.43Å; F346-L350 HydrophobicContact CZ-CD1 3.61Å; F346-L350 HydrophobicContact CZ-CD2 4.44Å; F346-L350 HydrophobicContact CZ-CG 4.08Å; F346-L350 PolarHBondContact O-N 3.24Å; L350-L352 VanDerWaalsContact C-N 3.35Å; L350-E353 PolarHBondContact O-N 2.69Å; L350-F354 WeakPolarHBondContact O-CB 3.41Å; L350-F354 PolarHBondContact O-N 3.23Å; L350-I481 HydrophobicContact CD2-CB 4.49Å; L350-I481 HydrophobicContact CD2-CG2 3.84Å; L350-I481 HydrophobicContact CG-CG2 4.21Å |
| 351 | A | 73 | Confident | 72.8 | Confident | 46 Ų | 46 | 53.2 Ų | 53.2 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K347 K348 L349 F354 E355 | K347-A351 VanDerWaalsContact O-CB 3.3Å; K347-A351 WeakPolarHBondContact O-CB 3.3Å; K347-A351 PolarHBondContact O-N 3.13Å; K348-A351 PolarHBondContact O-N 3.41Å; L349-A351 VanDerWaalsContact C-N 3.34Å; L349-A351 PolarHBondContact O-N 2.85Å; A351-F354 PolarHBondContact O-N 2.7Å; A351-E355 WeakPolarHBondContact O-CG 3.36Å; A351-E355 PolarHBondContact O-N 3.3Å |
| 352 | L | 70.1 | Confident | 72 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 177 | -169.8 | 72.6 | 0 | 0 | 0 | 112.4 | Y300 R303 A304 I307 K348 L349 L350 F354 E355 F356 | Y300-L352 HydrophobicContact CD1-CD1 3.77Å; Y300-L352 HydrophobicContact CD1-CG 4.14Å; Y300-L352 HydrophobicContact CE1-CD1 4.04Å; R303-L352 HydrophobicContact CB-CD1 4.48Å; R303-L352 HydrophobicContact CG-CD1 3.77Å; R303-L352 HydrophobicContact CG-CD2 4.36Å; R303-L352 VanDerWaalsContact NE-CD1 3.27Å; A304-L352 HydrophobicContact CB-CD2 3.7Å; I307-L352 HydrophobicContact CD1-CD2 4.27Å; K348-L352 PolarHBondContact O-N 2.97Å; L349-L352 PolarHBondContact O-N 3.46Å; L350-L352 VanDerWaalsContact C-N 3.35Å; L352-F354 VanDerWaalsContact C-N 3.3Å; L352-F354 PolarHBondContact O-N 2.75Å; L352-E355 PolarHBondContact O-N 2.89Å; L352-F356 WeakPolarHBondContact O-CB 3.29Å; L352-F356 PolarHBondContact O-N 3.38Å |
| 353 | E | 72.3 | Confident | 71.2 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 174.5 | -169.3 | 71.3 | -166.1 | 0 | 0 | 110.8 | L349 L350 F356 V357 R473 R477 I481 | L349-E353 PolarHBondContact O-N 3.13Å; L350-E353 PolarHBondContact O-N 2.69Å; E353-F356 PolarHBondContact O-N 2.89Å; E353-V357 WeakPolarHBondContact O-CB 3.39Å; E353-V357 WeakPolarHBondContact O-CG2 3.5Å; E353-V357 PolarHBondContact O-N 2.81Å; E353-R473 IonicContact OE1-CZ 3.84Å; E353-R473 IonicContact OE1-NH1 2.73Å; E353-R473 PolarHBondContact OE1-NH1 3.05Å; E353-R477 HydrophobicContact CG-CB 4.32Å; E353-R477 WeakPolarHBondContact OE1-CB 3.26Å; E353-R477 VanDerWaalsContact OE1-CG 3.31Å; E353-R477 WeakPolarHBondContact OE1-CG 3.4Å; E353-I481 HydrophobicContact CB-CD1 4.26Å; E353-I481 HydrophobicContact CG-CD1 4.5Å |
| 354 | F | 71.8 | Confident | 70.4 | Confident | 149 Ų | 149 | 55.1 Ų | 55.1 | 65% | 0.654 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68 | -42.2 | 173.9 | -176.7 | -94.6 | 0 | 0 | 0 | 113 | L350 A351 L352 F356 K358 | L350-F354 WeakPolarHBondContact O-CB 3.41Å; L350-F354 PolarHBondContact O-N 3.23Å; A351-F354 PolarHBondContact O-N 2.7Å; L352-F354 VanDerWaalsContact C-N 3.3Å; L352-F354 PolarHBondContact O-N 2.75Å; F354-F356 VanDerWaalsContact C-N 3.3Å; F354-F356 PolarHBondContact O-N 2.94Å; F354-K358 WeakPolarHBondContact O-CB 3.44Å; F354-K358 PolarHBondContact O-N 3.43Å |
| 355 | E | 70.3 | Confident | 69.7 | Low | 81 Ų | 81 | 56.7 Ų | 56.7 | 38% | 0.379 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.4 | -43.6 | 171.6 | -75.8 | 174.9 | 172.7 | 0 | 0 | 111.2 | Y300 R303 A351 L352 N359 | Y300-E355 HydrophobicContact CE1-CB 3.92Å; Y300-E355 PolarHBondContact OH-O 2.88Å; R303-E355 IonicContact CZ-OE2 2.72Å; R303-E355 IonicContact NE-OE2 2.67Å; R303-E355 IonicContact NH2-OE1 2.68Å; R303-E355 IonicContact NH2-OE2 2.73Å; R303-E355 PolarHBondContact NH2-OE2 3.29Å; A351-E355 WeakPolarHBondContact O-CG 3.36Å; A351-E355 PolarHBondContact O-N 3.3Å; L352-E355 PolarHBondContact O-N 2.89Å; E355-N359 PolarHBondContact O-N 3.22Å; E355-N359 VanDerWaalsContact O-N 3.12Å |
| 356 | F | 66.6 | Low | 68.8 | Low | 10 Ų | 10 | 61.2 Ų | 61.2 | 4% | 0.044 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.7 | -46.2 | 179.1 | 179.4 | -126.6 | 0 | 0 | 0 | 113.1 | D297 Y300 L352 E353 F354 K358 N359 L360 | D297-F356 WeakPolarHBondContact OD1-CE2 3.45Å; Y300-F356 HydrophobicContact CD1-CB 3.92Å; Y300-F356 HydrophobicContact CD1-CD2 4.45Å; Y300-F356 HydrophobicContact CD2-CB 4.31Å; Y300-F356 AromaticContact CD2-CD2 3.43Å; Y300-F356 HydrophobicContact CD2-CD2 3.43Å; Y300-F356 VanDerWaalsContact CD2-CD2 3.43Å; Y300-F356 HydrophobicContact CD2-CE2 4.14Å; Y300-F356 HydrophobicContact CD2-CG 4.25Å; Y300-F356 HydrophobicContact CE1-CB 4.05Å; Y300-F356 HydrophobicContact CE2-CB 4.41Å; Y300-F356 AromaticContact CE2-CD2 3.89Å; Y300-F356 HydrophobicContact CE2-CD2 3.89Å; Y300-F356 HydrophobicContact CG-CB 4.06Å; Y300-F356 AromaticContact CG-CD2 3.75Å; Y300-F356 HydrophobicContact CG-CD2 3.75Å; Y300-F356 HydrophobicContact CG-CG 4.18Å; L352-F356 WeakPolarHBondContact O-CB 3.29Å; L352-F356 PolarHBondContact O-N 3.38Å; E353-F356 PolarHBondContact O-N 2.89Å; F354-F356 VanDerWaalsContact C-N 3.3Å; F354-F356 PolarHBondContact O-N 2.94Å; F356-K358 PolarHBondContact O-N 2.81Å; F356-N359 PolarHBondContact O-N 3.11Å; F356-L360 HydrophobicContact CD1-CD1 4.22Å; F356-L360 HydrophobicContact CD2-CD1 4.3Å; F356-L360 HydrophobicContact CE1-CD1 3.71Å; F356-L360 HydrophobicContact CE2-CD1 3.82Å; F356-L360 HydrophobicContact CE2-CG 4.21Å; F356-L360 HydrophobicContact CG-CD1 4.5Å; F356-L360 HydrophobicContact CZ-CD1 3.5Å; F356-L360 HydrophobicContact CZ-CG 4.35Å; F356-L360 PolarHBondContact O-N 2.67Å |
| 357 | V | 66.2 | Low | 68.1 | Low | 23 Ų | 23 | 61 Ų | 61 | 14% | 0.139 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.5 | -47.4 | 176.1 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | E353 N359 L360 D361 R473 N474 | E353-V357 WeakPolarHBondContact O-CB 3.39Å; E353-V357 WeakPolarHBondContact O-CG2 3.5Å; E353-V357 PolarHBondContact O-N 2.81Å; V357-N359 VanDerWaalsContact C-N 3.3Å; V357-N359 PolarHBondContact O-N 3.45Å; V357-L360 WeakPolarHBondContact O-CB 3.35Å; V357-L360 PolarHBondContact O-N 3.36Å; V357-L360 VanDerWaalsContact O-N 3.07Å; V357-D361 PolarHBondContact O-N 3.35Å; V357-R473 VanDerWaalsContact CG2-NH1 3.33Å; V357-N474 HydrophobicContact CG2-CB 4.13Å; V357-N474 WeakPolarHBondContact CG2-ND2 3.36Å |
| 358 | K | 71.6 | Confident | 67.3 | Low | 108 Ų | 108 | 56.2 Ų | 56.2 | 47% | 0.47 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 179.8 | -164.7 | -128.2 | 160.9 | -144.1 | 0 | 112.3 | F354 F356 D361 D362 | F354-K358 WeakPolarHBondContact O-CB 3.44Å; F354-K358 PolarHBondContact O-N 3.43Å; F356-K358 PolarHBondContact O-N 2.81Å; K358-D361 PolarHBondContact O-N 3.45Å; K358-D362 WeakPolarHBondContact CE-OD2 3.38Å; K358-D362 IonicContact NZ-OD1 3.15Å; K358-D362 PolarHBondContact NZ-OD1 2.99Å; K358-D362 IonicContact NZ-OD2 3.81Å; K358-D362 PolarHBondContact NZ-OD2 3.07Å; K358-D362 VanDerWaalsContact O-CG 3.24Å; K358-D362 PolarHBondContact O-N 3.04Å |
| 359 | N | 66.1 | Low | 66.8 | Low | 37 Ų | 37 | 53.6 Ų | 53.6 | 20% | 0.198 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.2 | -33.8 | 174.9 | 174.6 | -113.6 | 0 | 0 | 0 | 112.8 | T296 E355 F356 V357 D362 N363 | T296-N359 VanDerWaalsContact CG2-OD1 3.24Å; T296-N359 WeakPolarHBondContact CG2-OD1 3.45Å; E355-N359 PolarHBondContact O-N 3.22Å; E355-N359 VanDerWaalsContact O-N 3.12Å; F356-N359 PolarHBondContact O-N 3.11Å; V357-N359 VanDerWaalsContact C-N 3.3Å; V357-N359 PolarHBondContact O-N 3.45Å; N359-D362 PolarHBondContact O-N 3.22Å; N359-N363 PolarHBondContact ND2-OD1 2.85Å; N359-N363 WeakPolarHBondContact O-CB 3.35Å; N359-N363 PolarHBondContact O-N 2.97Å; N359-N363 PolarHBondContact O-OD1 3.38Å; N359-N363 PolarHBondContact OD1-ND2 3.23Å |
| 360 | L | 63.1 | Low | 66.3 | Low | 20 Ų | 20 | 55.6 Ų | 55.6 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 171.1 | -85 | 166.3 | 0 | 0 | 0 | 112.2 | F356 V357 N363 V364 | F356-L360 HydrophobicContact CD1-CD1 4.22Å; F356-L360 HydrophobicContact CD2-CD1 4.3Å; F356-L360 HydrophobicContact CE1-CD1 3.71Å; F356-L360 HydrophobicContact CE2-CD1 3.82Å; F356-L360 HydrophobicContact CE2-CG 4.21Å; F356-L360 HydrophobicContact CG-CD1 4.5Å; F356-L360 HydrophobicContact CZ-CD1 3.5Å; F356-L360 HydrophobicContact CZ-CG 4.35Å; F356-L360 PolarHBondContact O-N 2.67Å; V357-L360 WeakPolarHBondContact O-CB 3.35Å; V357-L360 PolarHBondContact O-N 3.36Å; V357-L360 VanDerWaalsContact O-N 3.07Å; L360-N363 PolarHBondContact O-N 3.34Å; L360-V364 WeakPolarHBondContact O-CB 3.5Å; L360-V364 WeakPolarHBondContact O-CG2 3.35Å; L360-V364 PolarHBondContact O-N 3.43Å |
| 361 | D | 67.5 | Low | 65.5 | Low | 92 Ų | 92 | 54.8 Ų | 54.8 | 49% | 0.492 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 172.5 | -62.8 | -35.7 | 0 | 0 | 0 | 110.8 | V357 K358 N363 V364 M365 | V357-D361 PolarHBondContact O-N 3.35Å; K358-D361 PolarHBondContact O-N 3.45Å; D361-N363 VanDerWaalsContact C-N 3.3Å; D361-N363 PolarHBondContact O-N 3.43Å; D361-V364 PolarHBondContact O-N 3.21Å; D361-M365 VanDerWaalsContact O-CG 3.31Å; D361-M365 WeakPolarHBondContact O-CG 3.42Å; D361-M365 PolarHBondContact O-N 2.83Å |
| 362 | D | 69 | Low | 65 | Low | 69 Ų | 69 | 54.2 Ų | 54.2 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.2 | -42.6 | 174.3 | -67.8 | -33.3 | 0 | 0 | 0 | 110.7 | K358 N359 M365 L366 | K358-D362 WeakPolarHBondContact CE-OD2 3.38Å; K358-D362 IonicContact NZ-OD1 3.15Å; K358-D362 PolarHBondContact NZ-OD1 2.99Å; K358-D362 IonicContact NZ-OD2 3.81Å; K358-D362 PolarHBondContact NZ-OD2 3.07Å; K358-D362 VanDerWaalsContact O-CG 3.24Å; K358-D362 PolarHBondContact O-N 3.04Å; N359-D362 PolarHBondContact O-N 3.22Å; D362-M365 PolarHBondContact O-N 3.12Å; D362-L366 WeakPolarHBondContact O-CG 3.4Å; D362-L366 PolarHBondContact O-N 3.45Å; D362-L366 VanDerWaalsContact O-N 3.12Å |
| 363 | N | 61.3 | Low | 64.3 | Low | 24 Ų | 24 | 57.2 Ų | 57.2 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72 | -33.9 | 178.8 | -66 | -7 | 0 | 0 | 0 | 113.4 | F289 Q293 N359 L360 D361 L366 L367 | F289-N363 HydrophobicContact CZ-CB 4.36Å; Q293-N363 PolarHBondContact OE1-ND2 3.31Å; N359-N363 PolarHBondContact ND2-OD1 2.85Å; N359-N363 WeakPolarHBondContact O-CB 3.35Å; N359-N363 PolarHBondContact O-N 2.97Å; N359-N363 PolarHBondContact O-OD1 3.38Å; N359-N363 PolarHBondContact OD1-ND2 3.23Å; L360-N363 PolarHBondContact O-N 3.34Å; D361-N363 VanDerWaalsContact C-N 3.3Å; D361-N363 PolarHBondContact O-N 3.43Å; N363-L366 PolarHBondContact O-N 3.24Å; N363-L367 PolarHBondContact O-N 3.13Å |
| 364 | V | 61 | Low | 63.5 | Low | 20 Ų | 20 | 59.4 Ų | 59.4 | 12% | 0.121 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.2 | -36.9 | 174.7 | 168.2 | 0 | 0 | 0 | 0 | 110.8 | L360 D361 L367 D368 I463 I466 Q467 | L360-V364 WeakPolarHBondContact O-CB 3.5Å; L360-V364 WeakPolarHBondContact O-CG2 3.35Å; L360-V364 PolarHBondContact O-N 3.43Å; D361-V364 PolarHBondContact O-N 3.21Å; V364-L367 PolarHBondContact O-N 2.81Å; V364-D368 PolarHBondContact O-N 3.49Å; V364-I463 HydrophobicContact CG1-CD1 4.42Å; V364-I463 HydrophobicContact CG1-CG2 3.99Å; V364-I466 HydrophobicContact CG2-CG2 3.84Å; V364-Q467 HydrophobicContact CG1-CG 4.36Å |
| 365 | M | 66.6 | Low | 62.6 | Low | 136 Ų | 136 | 52.8 Ų | 52.8 | 67% | 0.67 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 171.3 | -64 | -130.2 | 72.1 | 0 | 0 | 112 | D361 D362 S369 | D361-M365 VanDerWaalsContact O-CG 3.31Å; D361-M365 WeakPolarHBondContact O-CG 3.42Å; D361-M365 PolarHBondContact O-N 2.83Å; D362-M365 PolarHBondContact O-N 3.12Å; M365-S369 PolarHBondContact O-N 2.91Å |
| 366 | L | 62 | Low | 61.6 | Low | 104 Ų | 104 | 52.5 Ų | 52.5 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 173.2 | -71.9 | 170.2 | 0 | 0 | 0 | 112.1 | D362 N363 S369 F370 | D362-L366 WeakPolarHBondContact O-CG 3.4Å; D362-L366 PolarHBondContact O-N 3.45Å; D362-L366 VanDerWaalsContact O-N 3.12Å; N363-L366 PolarHBondContact O-N 3.24Å; L366-S369 PolarHBondContact O-N 2.87Å; L366-F370 VanDerWaalsContact O-CB 3.27Å; L366-F370 WeakPolarHBondContact O-CB 3.24Å; L366-F370 PolarHBondContact O-N 2.83Å |
| 367 | L | 59.5 | Low | 60.6 | Low | 15 Ų | 15 | 56.3 Ų | 56.3 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.1 | -43 | 176.8 | -177.2 | 61.9 | 0 | 0 | 0 | 112.4 | F289 N363 V364 F370 I371 I463 I466 | F289-L367 HydrophobicContact CE1-CB 4.4Å; F289-L367 HydrophobicContact CE1-CD1 4.12Å; F289-L367 HydrophobicContact CE1-CD2 4.42Å; F289-L367 HydrophobicContact CE2-CB 4.5Å; F289-L367 HydrophobicContact CZ-CB 3.92Å; F289-L367 HydrophobicContact CZ-CD1 4.4Å; N363-L367 PolarHBondContact O-N 3.13Å; V364-L367 PolarHBondContact O-N 2.81Å; L367-F370 PolarHBondContact O-N 3.14Å; L367-I371 HydrophobicContact CD1-CD1 3.96Å; L367-I371 HydrophobicContact CD1-CG1 4.22Å; L367-I371 HydrophobicContact CG-CD1 3.92Å; L367-I371 VanDerWaalsContact O-CG1 3.3Å; L367-I371 WeakPolarHBondContact O-CG1 3.46Å; L367-I371 PolarHBondContact O-N 3.41Å; L367-I463 HydrophobicContact CD2-CD1 4.3Å; L367-I463 HydrophobicContact CG-CD1 4.29Å; L367-I466 HydrophobicContact CD2-CD1 3.95Å |
| 368 | D | 60.7 | Low | 59.6 | Low | 51 Ų | 51 | 58.5 Ų | 58.5 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 175.5 | -179.4 | 49.9 | 0 | 0 | 0 | 111.9 | V364 S372 K459 I463 | V364-D368 PolarHBondContact O-N 3.49Å; D368-S372 VanDerWaalsContact O-CB 3.24Å; D368-S372 WeakPolarHBondContact O-CB 3.32Å; D368-S372 PolarHBondContact O-N 3.05Å; D368-S372 PolarHBondContact O-OG 2.69Å; D368-K459 VanDerWaalsContact OD1-CD 3.26Å; D368-K459 WeakPolarHBondContact OD1-CD 3.37Å; D368-K459 WeakPolarHBondContact OD1-CE 3.37Å; D368-K459 IonicContact OD1-NZ 3.34Å; D368-K459 PolarHBondContact OD1-NZ 2.99Å; D368-I463 HydrophobicContact CB-CD1 3.96Å; D368-I463 HydrophobicContact CB-CG1 4.21Å |
| 369 | S | 63.5 | Low | 58.3 | Low | 62 Ų | 62 | 55.2 Ų | 55.2 | 43% | 0.434 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 172.7 | -166.6 | 0 | 0 | 0 | 0 | 111.3 | M365 L366 S372 D373 | M365-S369 PolarHBondContact O-N 2.91Å; L366-S369 PolarHBondContact O-N 2.87Å; S369-S372 PolarHBondContact O-N 3.44Å; S369-D373 PolarHBondContact O-N 2.96Å |
| 370 | F | 59.2 | Low | 56.9 | Low | 58 Ų | 58 | 57 Ų | 57 | 25% | 0.254 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | -179.8 | 177.7 | -96.6 | 0 | 0 | 0 | 112.4 | L282 E285 L286 L366 L367 S372 D373 M374 | L282-F370 HydrophobicContact CD1-CE1 3.68Å; L282-F370 HydrophobicContact CD1-CZ 3.69Å; E285-F370 HydrophobicContact CB-CE2 3.98Å; E285-F370 HydrophobicContact CB-CZ 3.92Å; L286-F370 HydrophobicContact CD2-CD1 4.43Å; L286-F370 HydrophobicContact CD2-CE1 3.9Å; L286-F370 HydrophobicContact CG-CE1 3.93Å; L286-F370 HydrophobicContact CG-CZ 4.48Å; L366-F370 VanDerWaalsContact O-CB 3.27Å; L366-F370 WeakPolarHBondContact O-CB 3.24Å; L366-F370 PolarHBondContact O-N 2.83Å; L367-F370 PolarHBondContact O-N 3.14Å; F370-S372 VanDerWaalsContact C-N 3.31Å; F370-S372 PolarHBondContact O-N 3.45Å; F370-D373 PolarHBondContact O-N 3.16Å; F370-M374 VanDerWaalsContact O-CB 3.26Å; F370-M374 WeakPolarHBondContact O-CB 3.35Å; F370-M374 PolarHBondContact O-N 3.3Å |
| 371 | I | 54.5 | Low | 55.6 | Low | 26 Ų | 26 | 58.2 Ų | 58.2 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 175.8 | -63.8 | 166 | 0 | 0 | 0 | 109.9 | L367 M374 V375 K459 L462 | L367-I371 HydrophobicContact CD1-CD1 3.96Å; L367-I371 HydrophobicContact CD1-CG1 4.22Å; L367-I371 HydrophobicContact CG-CD1 3.92Å; L367-I371 VanDerWaalsContact O-CG1 3.3Å; L367-I371 WeakPolarHBondContact O-CG1 3.46Å; L367-I371 PolarHBondContact O-N 3.41Å; I371-M374 HydrophobicContact CG2-CE 4.25Å; I371-M374 PolarHBondContact O-N 3.13Å; I371-V375 HydrophobicContact CG2-CG2 4.29Å; I371-V375 VanDerWaalsContact O-CG2 3.23Å; I371-V375 WeakPolarHBondContact O-CG2 3.46Å; I371-V375 PolarHBondContact O-N 2.96Å; I371-K459 HydrophobicContact CB-CD 4.2Å; I371-K459 HydrophobicContact CB-CG 4.29Å; I371-K459 HydrophobicContact CG2-CB 4.35Å; I371-K459 HydrophobicContact CG2-CD 3.79Å; I371-K459 HydrophobicContact CG2-CG 3.75Å; I371-L462 HydrophobicContact CD1-CD2 4.38Å |
| 372 | S | 63.2 | Low | 54.4 | Low | 34 Ų | 34 | 56.5 Ų | 56.5 | 24% | 0.238 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 177.9 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | D368 S369 F370 V375 V376 K459 | D368-S372 VanDerWaalsContact O-CB 3.24Å; D368-S372 WeakPolarHBondContact O-CB 3.32Å; D368-S372 PolarHBondContact O-N 3.05Å; D368-S372 PolarHBondContact O-OG 2.69Å; S369-S372 PolarHBondContact O-N 3.44Å; F370-S372 VanDerWaalsContact C-N 3.31Å; F370-S372 PolarHBondContact O-N 3.45Å; S372-V375 PolarHBondContact O-N 3.18Å; S372-V376 WeakPolarHBondContact O-CG2 3.43Å; S372-V376 PolarHBondContact O-N 3.07Å; S372-K459 PolarHBondContact OG-NZ 3.05Å |
| 373 | D | 55.6 | Low | 53.1 | Low | 74 Ų | 74 | 57 Ų | 57 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 174 | -79.1 | -45.3 | 0 | 0 | 0 | 111.8 | S369 F370 V376 N377 | S369-D373 PolarHBondContact O-N 2.96Å; F370-D373 PolarHBondContact O-N 3.16Å; D373-V376 PolarHBondContact O-N 3.06Å; D373-N377 WeakPolarHBondContact O-CB 3.49Å; D373-N377 PolarHBondContact O-N 3Å; D373-N377 PolarHBondContact O-ND2 3.2Å |
| 374 | M | 54.2 | Low | 51.8 | Low | 54 Ų | 54 | 60.3 Ų | 60.3 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 174.5 | -179.2 | -151.2 | 71.5 | 0 | 0 | 112.1 | L282 F370 I371 N377 T378 | L282-M374 HydrophobicContact CD1-CG 3.91Å; L282-M374 HydrophobicContact CD1-SD 3.53Å; L282-M374 VanDerWaalsContact CD1-SD 3.53Å; L282-M374 HydrophobicContact CD2-CG 4.09Å; L282-M374 HydrophobicContact CD2-SD 3.55Å; L282-M374 VanDerWaalsContact CD2-SD 3.55Å; L282-M374 HydrophobicContact CG-SD 4.19Å; F370-M374 VanDerWaalsContact O-CB 3.26Å; F370-M374 WeakPolarHBondContact O-CB 3.35Å; F370-M374 PolarHBondContact O-N 3.3Å; I371-M374 HydrophobicContact CG2-CE 4.25Å; I371-M374 PolarHBondContact O-N 3.13Å; M374-N377 PolarHBondContact O-N 2.98Å; M374-T378 WeakPolarHBondContact O-CG2 3.44Å; M374-T378 PolarHBondContact O-N 2.89Å; M374-T378 PolarHBondContact O-OG1 3.1Å; M374-T378 VanDerWaalsContact O-OG1 3.13Å |
| 375 | V | 52.9 | Low | 50.6 | Low | 10 Ų | 10 | 62.9 Ų | 62.9 | 6% | 0.061 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.9 | -49.7 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 109.6 | I371 S372 N377 T378 H379 V455 | I371-V375 HydrophobicContact CG2-CG2 4.29Å; I371-V375 VanDerWaalsContact O-CG2 3.23Å; I371-V375 WeakPolarHBondContact O-CG2 3.46Å; I371-V375 PolarHBondContact O-N 2.96Å; S372-V375 PolarHBondContact O-N 3.18Å; V375-N377 VanDerWaalsContact C-N 3.29Å; V375-N377 PolarHBondContact O-N 3.49Å; V375-T378 PolarHBondContact O-N 3.15Å; V375-T378 PolarHBondContact O-OG1 2.96Å; V375-H379 WeakPolarHBondContact CG1-NE2 3.36Å; V375-H379 PolarHBondContact O-CE1 3.46Å; V375-H379 VanDerWaalsContact O-CG 3.29Å; V375-H379 PolarHBondContact O-N 3.38Å; V375-H379 PolarHBondContact O-ND1 2.91Å; V375-V455 HydrophobicContact CB-CG1 4.39Å; V375-V455 HydrophobicContact CG1-CG1 3.96Å; V375-V455 HydrophobicContact CG2-CG1 3.43Å; V375-V455 VanDerWaalsContact CG2-CG1 3.43Å |
| 376 | V | 49.6 | Very low | 49.6 | Very low | 75 Ų | 75 | 58.6 Ų | 58.6 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.6 | -40.9 | 174.5 | 171.1 | 0 | 0 | 0 | 0 | 112.2 | S372 D373 F380 | S372-V376 WeakPolarHBondContact O-CG2 3.43Å; S372-V376 PolarHBondContact O-N 3.07Å; D373-V376 PolarHBondContact O-N 3.06Å; V376-F380 WeakPolarHBondContact O-CB 2.89Å; V376-F380 PolarHBondContact O-N 2.71Å |
| 377 | N | 45.2 | Very low | 48.7 | Very low | 90 Ų | 90 | 59.3 Ų | 59.3 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.8 | -35 | 179.5 | -71.4 | -35.6 | 0 | 0 | 0 | 113.5 | D373 M374 V375 F380 S381 | D373-N377 WeakPolarHBondContact O-CB 3.49Å; D373-N377 PolarHBondContact O-N 3Å; D373-N377 PolarHBondContact O-ND2 3.2Å; M374-N377 PolarHBondContact O-N 2.98Å; V375-N377 VanDerWaalsContact C-N 3.29Å; V375-N377 PolarHBondContact O-N 3.49Å; N377-F380 WeakPolarHBondContact O-CB 3.25Å; N377-F380 PolarHBondContact O-N 3.48Å; N377-S381 PolarHBondContact O-N 2.92Å; N377-S381 VanDerWaalsContact O-N 3.08Å |
| 378 | T | 46.4 | Very low | 47.5 | Very low | 70 Ų | 70 | 64.2 Ų | 64.2 | 43% | 0.429 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.2 | -36.3 | 174.5 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | M374 V375 F380 S381 S382 | M374-T378 WeakPolarHBondContact O-CG2 3.44Å; M374-T378 PolarHBondContact O-N 2.89Å; M374-T378 PolarHBondContact O-OG1 3.1Å; M374-T378 VanDerWaalsContact O-OG1 3.13Å; V375-T378 PolarHBondContact O-N 3.15Å; V375-T378 PolarHBondContact O-OG1 2.96Å; T378-F380 VanDerWaalsContact C-N 3.28Å; T378-S381 PolarHBondContact O-N 2.99Å; T378-S382 PolarHBondContact O-N 2.72Å |
| 379 | H | 43.9 | Very low | 46.5 | Very low | 39 Ų | 39 | 65.3 Ų | 65.3 | 18% | 0.181 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.7 | -31.2 | 170.8 | -61.3 | 19 | 0 | 0 | 0 | 111 | V375 S382 L383 D452 | V375-H379 WeakPolarHBondContact CG1-NE2 3.36Å; V375-H379 PolarHBondContact O-CE1 3.46Å; V375-H379 VanDerWaalsContact O-CG 3.29Å; V375-H379 PolarHBondContact O-N 3.38Å; V375-H379 PolarHBondContact O-ND1 2.91Å; H379-S382 PolarHBondContact O-N 3.42Å; H379-S382 PolarHBondContact O-OG 3.4Å; H379-L383 VanDerWaalsContact O-CB 3.24Å; H379-L383 WeakPolarHBondContact O-CB 3.47Å; H379-L383 WeakPolarHBondContact O-CD1 3.22Å; H379-L383 WeakPolarHBondContact O-CG 3.33Å; H379-L383 PolarHBondContact O-N 2.79Å; H379-D452 IonicContact CD2-OD1 2.75Å; H379-D452 PolarHBondContact CD2-OD1 2.94Å; H379-D452 IonicContact CD2-OD2 3.4Å; H379-D452 PolarHBondContact CD2-OD2 3.27Å |
| 380 | F | 36.7 | Very low | 45.7 | Very low | 73 Ų | 73 | 66 Ų | 66 | 32% | 0.32 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 174.2 | -169.5 | -107.8 | 0 | 0 | 0 | 112.6 | F141 V376 N377 T378 L383 L384 | F141-F380 AromaticContact CE1-CE2 3.76Å; F141-F380 HydrophobicContact CE1-CE2 3.76Å; F141-F380 AromaticContact CE1-CZ 3.57Å; F141-F380 HydrophobicContact CE1-CZ 3.57Å; F141-F380 AromaticContact CZ-CE2 3.64Å; F141-F380 HydrophobicContact CZ-CE2 3.64Å; F141-F380 AromaticContact CZ-CZ 3.63Å; F141-F380 HydrophobicContact CZ-CZ 3.63Å; V376-F380 WeakPolarHBondContact O-CB 2.89Å; V376-F380 PolarHBondContact O-N 2.71Å; N377-F380 WeakPolarHBondContact O-CB 3.25Å; N377-F380 PolarHBondContact O-N 3.48Å; T378-F380 VanDerWaalsContact C-N 3.28Å; F380-L383 PolarHBondContact O-N 2.83Å; F380-L384 HydrophobicContact CD1-CD1 3.75Å; F380-L384 HydrophobicContact CD1-CG 4.47Å; F380-L384 HydrophobicContact CE1-CD1 3.47Å; F380-L384 VanDerWaalsContact CE1-CD1 3.47Å; F380-L384 HydrophobicContact CE1-CG 4.23Å; F380-L384 HydrophobicContact CZ-CD1 4.09Å; F380-L384 HydrophobicContact CZ-CG 4.44Å; F380-L384 WeakPolarHBondContact O-CB 3.29Å; F380-L384 WeakPolarHBondContact O-CG 3.3Å; F380-L384 PolarHBondContact O-N 2.88Å |
| 381 | S | 35.7 | Very low | 44.9 | Very low | 46 Ų | 46 | 69.8 Ų | 69.8 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.1 | -36.7 | 176.2 | -68.3 | 0 | 0 | 0 | 0 | 112.6 | E278 N377 T378 L385 | E278-S381 PolarHBondContact OE1-OG 2.8Å; N377-S381 PolarHBondContact O-N 2.92Å; N377-S381 VanDerWaalsContact O-N 3.08Å; T378-S381 PolarHBondContact O-N 2.99Å; S381-L385 PolarHBondContact O-N 2.87Å; S381-L385 VanDerWaalsContact O-N 3.13Å |
| 382 | S | 41.6 | Very low | 44.1 | Very low | 56 Ų | 56 | 72.3 Ų | 72.3 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.5 | -42.9 | 173 | 63.7 | 0 | 0 | 0 | 0 | 112.3 | T378 H379 L384 L385 K386 | T378-S382 PolarHBondContact O-N 2.72Å; H379-S382 PolarHBondContact O-N 3.42Å; H379-S382 PolarHBondContact O-OG 3.4Å; S382-L384 VanDerWaalsContact C-N 3.31Å; S382-L384 PolarHBondContact O-N 3.01Å; S382-L385 PolarHBondContact O-N 3.34Å; S382-K386 WeakPolarHBondContact O-CB 3.43Å; S382-K386 PolarHBondContact O-N 3.48Å |
| 383 | L | 41.4 | Very low | 43.2 | Very low | 80 Ų | 80 | 77.7 Ų | 77.7 | 42% | 0.419 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.4 | -31.7 | 175.3 | -75.5 | 167.4 | 0 | 0 | 0 | 113.1 | H379 F380 K386 R387 | H379-L383 VanDerWaalsContact O-CB 3.24Å; H379-L383 WeakPolarHBondContact O-CB 3.47Å; H379-L383 WeakPolarHBondContact O-CD1 3.22Å; H379-L383 WeakPolarHBondContact O-CG 3.33Å; H379-L383 PolarHBondContact O-N 2.79Å; F380-L383 PolarHBondContact O-N 2.83Å; L383-K386 HydrophobicContact CD2-CD 4.37Å; L383-R387 WeakPolarHBondContact O-CB 3.25Å; L383-R387 WeakPolarHBondContact O-CG 3.03Å; L383-R387 PolarHBondContact O-N 3.42Å |
| 384 | L | 33.8 | Very low | 42.9 | Very low | 94 Ų | 94 | 76.8 Ų | 76.8 | 49% | 0.492 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.3 | -46.2 | 171.5 | -89 | 170.5 | 0 | 0 | 0 | 111.6 | F380 S382 K386 R387 F388 | F380-L384 HydrophobicContact CD1-CD1 3.75Å; F380-L384 HydrophobicContact CD1-CG 4.47Å; F380-L384 HydrophobicContact CE1-CD1 3.47Å; F380-L384 VanDerWaalsContact CE1-CD1 3.47Å; F380-L384 HydrophobicContact CE1-CG 4.23Å; F380-L384 HydrophobicContact CZ-CD1 4.09Å; F380-L384 HydrophobicContact CZ-CG 4.44Å; F380-L384 WeakPolarHBondContact O-CB 3.29Å; F380-L384 WeakPolarHBondContact O-CG 3.3Å; F380-L384 PolarHBondContact O-N 2.88Å; S382-L384 VanDerWaalsContact C-N 3.31Å; S382-L384 PolarHBondContact O-N 3.01Å; L384-K386 VanDerWaalsContact C-N 3.34Å; L384-R387 PolarHBondContact O-N 3.25Å; L384-F388 VanDerWaalsContact O-CB 3.27Å; L384-F388 WeakPolarHBondContact O-CB 3.44Å; L384-F388 PolarHBondContact O-N 2.97Å |
| 385 | L | 36.8 | Very low | 42.4 | Very low | 73 Ų | 73 | 79.3 Ų | 79.3 | 38% | 0.382 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.8 | -172.1 | 67.6 | 0 | 0 | 0 | 111.2 | F272 S381 S382 F388 L389 | F272-L385 HydrophobicContact CE2-CD2 4.26Å; S381-L385 PolarHBondContact O-N 2.87Å; S381-L385 VanDerWaalsContact O-N 3.13Å; S382-L385 PolarHBondContact O-N 3.34Å; L385-F388 PolarHBondContact O-N 2.97Å; L385-L389 HydrophobicContact CG-CD1 4.38Å; L385-L389 VanDerWaalsContact O-CG 3.29Å; L385-L389 WeakPolarHBondContact O-CG 3.21Å; L385-L389 PolarHBondContact O-N 3.01Å |
| 386 | K | 45.2 | Very low | 41.9 | Very low | 46 Ų | 46 | 85.5 Ų | 85.5 | 20% | 0.2 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -56.7 | -57.3 | 174.4 | -168.4 | 171.1 | -176.6 | 171 | 0 | 111 | S382 L383 L384 F388 L389 D390 E448 | S382-K386 WeakPolarHBondContact O-CB 3.43Å; S382-K386 PolarHBondContact O-N 3.48Å; L383-K386 HydrophobicContact CD2-CD 4.37Å; L384-K386 VanDerWaalsContact C-N 3.34Å; K386-F388 VanDerWaalsContact C-N 3.3Å; K386-F388 PolarHBondContact O-N 3.38Å; K386-L389 WeakPolarHBondContact O-CB 3.23Å; K386-L389 PolarHBondContact O-N 2.88Å; K386-L389 VanDerWaalsContact O-N 3.08Å; K386-D390 PolarHBondContact O-N 3.02Å; K386-E448 IonicContact NZ-OE1 3.51Å; K386-E448 PolarHBondContact NZ-OE1 2.7Å; K386-E448 IonicContact NZ-OE2 2.67Å; K386-E448 PolarHBondContact NZ-OE2 3.38Å |
| 387 | R | 42.3 | Very low | 41.6 | Very low | 119 Ų | 119 | 89.9 Ų | 89.9 | 45% | 0.449 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.8 | -34.5 | 176.8 | -78.9 | -179.1 | 167.8 | 163.1 | -0.4 | 114 | L383 L384 Q391 | L383-R387 WeakPolarHBondContact O-CB 3.25Å; L383-R387 WeakPolarHBondContact O-CG 3.03Å; L383-R387 PolarHBondContact O-N 3.42Å; L384-R387 PolarHBondContact O-N 3.25Å; R387-Q391 VanDerWaalsContact O-CB 3.3Å; R387-Q391 WeakPolarHBondContact O-CB 3.32Å; R387-Q391 WeakPolarHBondContact O-CG 3.35Å; R387-Q391 PolarHBondContact O-N 3.49Å |
| 388 | F | 35.6 | Very low | 41.6 | Very low | 119 Ų | 119 | 89 Ų | 89 | 52% | 0.522 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 175.9 | 179.1 | -91.8 | 0 | 0 | 0 | 112 | L384 L385 K386 H392 | L384-F388 VanDerWaalsContact O-CB 3.27Å; L384-F388 WeakPolarHBondContact O-CB 3.44Å; L384-F388 PolarHBondContact O-N 2.97Å; L385-F388 PolarHBondContact O-N 2.97Å; K386-F388 VanDerWaalsContact C-N 3.3Å; K386-F388 PolarHBondContact O-N 3.38Å; F388-H392 AromaticContact CD2-CD2 3.58Å; F388-H392 AromaticContact CD2-NE2 3.87Å; F388-H392 AromaticContact CE2-CD2 3.42Å; F388-H392 VanDerWaalsContact CE2-CD2 3.42Å; F388-H392 WeakPolarHBondContact CE2-CD2 3.3Å; F388-H392 AromaticContact CE2-NE2 3.73Å; F388-H392 AromaticContact CZ-CD2 3.79Å; F388-H392 WeakPolarHBondContact O-CB 3.45Å; F388-H392 PolarHBondContact O-CD2 3.25Å; F388-H392 PolarHBondContact O-N 3.49Å |
| 389 | L | 39.2 | Very low | 41.4 | Very low | 73 Ų | 73 | 90.4 Ų | 90.4 | 38% | 0.382 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.1 | -49.6 | 172.7 | -66.4 | 168.4 | 0 | 0 | 0 | 110.5 | L385 K386 Q391 H392 Y393 | L385-L389 HydrophobicContact CG-CD1 4.38Å; L385-L389 VanDerWaalsContact O-CG 3.29Å; L385-L389 WeakPolarHBondContact O-CG 3.21Å; L385-L389 PolarHBondContact O-N 3.01Å; K386-L389 WeakPolarHBondContact O-CB 3.23Å; K386-L389 PolarHBondContact O-N 2.88Å; K386-L389 VanDerWaalsContact O-N 3.08Å; L389-Q391 VanDerWaalsContact C-N 3.31Å; L389-Q391 PolarHBondContact O-N 3.15Å; L389-H392 PolarHBondContact O-N 3.04Å; L389-H392 VanDerWaalsContact O-N 3.17Å; L389-Y393 HydrophobicContact CD2-CD2 3.96Å; L389-Y393 HydrophobicContact CD2-CE2 3.59Å; L389-Y393 WeakPolarHBondContact O-CB 3.15Å; L389-Y393 WeakPolarHBondContact O-CD2 3.48Å; L389-Y393 PolarHBondContact O-N 3.09Å |
| 390 | D | 45.9 | Very low | 41.1 | Very low | 78 Ų | 78 | 93.4 Ų | 93.4 | 42% | 0.417 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.6 | -34.3 | -179.7 | -60.7 | -22.4 | 0 | 0 | 0 | 113 | K386 P394 | K386-D390 PolarHBondContact O-N 3.02Å; D390-P394 WeakPolarHBondContact O-CD 3.42Å; D390-P394 WeakPolarHBondContact O-CG 3.46Å |
| 391 | Q | 42.6 | Very low | 41.3 | Very low | 137 Ų | 137 | 93.1 Ų | 93.1 | 64% | 0.64 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -85.2 | -15 | 178.2 | -74 | -170.5 | -20.8 | 0 | 0 | 114.6 | R387 L389 | R387-Q391 VanDerWaalsContact O-CB 3.3Å; R387-Q391 WeakPolarHBondContact O-CB 3.32Å; R387-Q391 WeakPolarHBondContact O-CG 3.35Å; R387-Q391 PolarHBondContact O-N 3.49Å; L389-Q391 VanDerWaalsContact C-N 3.31Å; L389-Q391 PolarHBondContact O-N 3.15Å |
| 392 | H | 37.7 | Very low | 41.6 | Very low | 78 Ų | 78 | 94.8 Ų | 94.8 | 36% | 0.361 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -121 | -11 | -171.5 | -66.4 | -25 | 0 | 0 | 0 | 115.6 | F388 L389 K396 | F388-H392 AromaticContact CD2-CD2 3.58Å; F388-H392 AromaticContact CD2-NE2 3.87Å; F388-H392 AromaticContact CE2-CD2 3.42Å; F388-H392 VanDerWaalsContact CE2-CD2 3.42Å; F388-H392 WeakPolarHBondContact CE2-CD2 3.3Å; F388-H392 AromaticContact CE2-NE2 3.73Å; F388-H392 AromaticContact CZ-CD2 3.79Å; F388-H392 WeakPolarHBondContact O-CB 3.45Å; F388-H392 PolarHBondContact O-CD2 3.25Å; F388-H392 PolarHBondContact O-N 3.49Å; L389-H392 PolarHBondContact O-N 3.04Å; L389-H392 VanDerWaalsContact O-N 3.17Å; H392-K396 WeakPolarHBondContact O-CD 3.42Å; H392-K396 WeakPolarHBondContact O-CG 3.45Å |
| 393 | Y | 44.3 | Very low | 41.3 | Very low | 147 Ų | 147 | 100.1 Ų | 100.1 | 58% | 0.576 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -96.6 | -38.9 | 176.8 | -79.2 | -102.9 | 0 | 0 | 0 | 114.8 | L389 R397 | L389-Y393 HydrophobicContact CD2-CD2 3.96Å; L389-Y393 HydrophobicContact CD2-CE2 3.59Å; L389-Y393 WeakPolarHBondContact O-CB 3.15Å; L389-Y393 WeakPolarHBondContact O-CD2 3.48Å; L389-Y393 PolarHBondContact O-N 3.09Å; Y393-R397 PolarHBondContact O-N 3.25Å; Y393-R397 VanDerWaalsContact O-N 3.09Å |
| 394 | P | 48.9 | Very low | 41 | Very low | 56 Ų | 56 | 105.3 Ų | 105.3 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -56.8 | 175.4 | -25.6 | 36.9 | 0 | 0 | 0 | 111.8 | D390 K396 R397 T398 | D390-P394 WeakPolarHBondContact O-CD 3.42Å; D390-P394 WeakPolarHBondContact O-CG 3.46Å; P394-K396 PolarHBondContact O-N 3.27Å; P394-K396 VanDerWaalsContact O-N 3.15Å; P394-R397 CarbonylContact O-C 3.5Å; P394-R397 PolarHBondContact O-N 2.7Å; P394-T398 WeakPolarHBondContact O-CB 3.46Å; P394-T398 PolarHBondContact O-N 3.36Å; P394-T398 PolarHBondContact O-OG1 2.97Å; P394-T398 VanDerWaalsContact O-OG1 3.12Å |
| 395 | D | 44.8 | Very low | 41.3 | Very low | 106 Ų | 106 | 103.7 Ų | 103.7 | 57% | 0.567 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -56.9 | -36.3 | -178.7 | -88.8 | -6 | 0 | 0 | 0 | 113 | N399 | D395-N399 WeakPolarHBondContact O-CB 3.3Å; D395-N399 PolarHBondContact O-N 3.3Å; D395-N399 PolarHBondContact O-ND2 3.4Å |
| 396 | K | 41.5 | Very low | 41.4 | Very low | 140 Ų | 140 | 103.3 Ų | 103.3 | 61% | 0.609 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.7 | -38.6 | 176 | -75.3 | 179.9 | -174.7 | 160.3 | 0 | 112.4 | H392 P394 I400 | H392-K396 WeakPolarHBondContact O-CD 3.42Å; H392-K396 WeakPolarHBondContact O-CG 3.45Å; P394-K396 PolarHBondContact O-N 3.27Å; P394-K396 VanDerWaalsContact O-N 3.15Å; K396-I400 VanDerWaalsContact O-CB 3.26Å; K396-I400 WeakPolarHBondContact O-CB 3.28Å; K396-I400 VanDerWaalsContact O-CD1 3.32Å; K396-I400 WeakPolarHBondContact O-CD1 3.39Å; K396-I400 WeakPolarHBondContact O-CG1 3.49Å; K396-I400 PolarHBondContact O-N 3.19Å |
| 397 | R | 44.7 | Very low | 41.1 | Very low | 168 Ų | 168 | 103.2 Ų | 103.2 | 63% | 0.634 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.8 | -53.6 | 173.7 | -84.9 | -174.9 | 168 | -179.5 | -2.5 | 111.5 | Y393 P394 N399 I400 T401 | Y393-R397 PolarHBondContact O-N 3.25Å; Y393-R397 VanDerWaalsContact O-N 3.09Å; P394-R397 CarbonylContact O-C 3.5Å; P394-R397 PolarHBondContact O-N 2.7Å; R397-N399 VanDerWaalsContact C-N 3.34Å; R397-N399 PolarHBondContact O-N 3.4Å; R397-I400 PolarHBondContact O-N 3.15Å; R397-I400 VanDerWaalsContact O-N 3.11Å; R397-T401 PolarHBondContact O-N 3.23Å; R397-T401 PolarHBondContact O-OG1 3.32Å; R397-T401 VanDerWaalsContact O-OG1 3.11Å |
| 398 | T | 44.8 | Very low | 41 | Very low | 72 Ų | 72 | 103.1 Ų | 103.1 | 44% | 0.442 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -42 | -177.9 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | P394 N402 | P394-T398 WeakPolarHBondContact O-CB 3.46Å; P394-T398 PolarHBondContact O-N 3.36Å; P394-T398 PolarHBondContact O-OG1 2.97Å; P394-T398 VanDerWaalsContact O-OG1 3.12Å; T398-N402 WeakPolarHBondContact O-CB 3.26Å; T398-N402 PolarHBondContact O-N 2.91Å |
| 399 | N | 41.9 | Very low | 41.1 | Very low | 98 Ų | 98 | 105.3 Ų | 105.3 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.9 | -36 | 173.8 | -72.1 | -67.4 | 0 | 0 | 0 | 113.3 | D395 R397 F403 | D395-N399 WeakPolarHBondContact O-CB 3.3Å; D395-N399 PolarHBondContact O-N 3.3Å; D395-N399 PolarHBondContact O-ND2 3.4Å; R397-N399 VanDerWaalsContact C-N 3.34Å; R397-N399 PolarHBondContact O-N 3.4Å; N399-F403 WeakPolarHBondContact O-CB 3.45Å; N399-F403 PolarHBondContact O-N 3.44Å |
| 400 | I | 38.8 | Very low | 40.9 | Very low | 102 Ų | 102 | 108.9 Ų | 108.9 | 52% | 0.523 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 174.8 | -74.1 | 168.6 | 0 | 0 | 0 | 111.3 | K396 R397 R404 | K396-I400 VanDerWaalsContact O-CB 3.26Å; K396-I400 WeakPolarHBondContact O-CB 3.28Å; K396-I400 VanDerWaalsContact O-CD1 3.32Å; K396-I400 WeakPolarHBondContact O-CD1 3.39Å; K396-I400 WeakPolarHBondContact O-CG1 3.49Å; K396-I400 PolarHBondContact O-N 3.19Å; R397-I400 PolarHBondContact O-N 3.15Å; R397-I400 VanDerWaalsContact O-N 3.11Å; I400-R404 WeakPolarHBondContact O-CG 3.3Å; I400-R404 PolarHBondContact O-N 3.47Å; I400-R404 VanDerWaalsContact O-N 3.14Å |
| 401 | T | 39.5 | Very low | 40.4 | Very low | 68 Ų | 68 | 115.2 Ų | 115.2 | 42% | 0.417 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.8 | -48.8 | 175.7 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | R397 F403 R404 L405 | R397-T401 PolarHBondContact O-N 3.23Å; R397-T401 PolarHBondContact O-OG1 3.32Å; R397-T401 VanDerWaalsContact O-OG1 3.11Å; T401-F403 VanDerWaalsContact C-N 3.34Å; T401-F403 PolarHBondContact O-N 3.03Å; T401-R404 WeakPolarHBondContact O-CB 3.46Å; T401-R404 PolarHBondContact O-N 2.95Å; T401-R404 VanDerWaalsContact O-N 3.12Å; T401-L405 HydrophobicContact CG2-CD1 3.98Å; T401-L405 HydrophobicContact CG2-CG 4.48Å; T401-L405 WeakPolarHBondContact O-CG 3.3Å; T401-L405 PolarHBondContact O-N 3.03Å |
| 402 | N | 42.3 | Very low | 40 | Very low | 81 Ų | 81 | 114.7 Ų | 114.7 | 43% | 0.433 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.5 | -32 | 179.1 | -70.9 | -5.1 | 0 | 0 | 0 | 113 | T398 L405 S406 | T398-N402 WeakPolarHBondContact O-CB 3.26Å; T398-N402 PolarHBondContact O-N 2.91Å; N402-L405 PolarHBondContact O-N 2.7Å; N402-S406 VanDerWaalsContact O-CB 3.29Å; N402-S406 WeakPolarHBondContact O-CB 3.28Å; N402-S406 PolarHBondContact O-N 2.82Å; N402-S406 PolarHBondContact O-OG 3.32Å |
| 403 | F | 35.1 | Very low | 40.3 | Very low | 168 Ų | 168 | 117.8 Ų | 117.8 | 74% | 0.737 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72 | -30.6 | 173.8 | -160.7 | -87.8 | 0 | 0 | 0 | 111.8 | N399 T401 G407 | N399-F403 WeakPolarHBondContact O-CB 3.45Å; N399-F403 PolarHBondContact O-N 3.44Å; T401-F403 VanDerWaalsContact C-N 3.34Å; T401-F403 PolarHBondContact O-N 3.03Å; F403-G407 PolarHBondContact O-N 2.85Å; F403-G407 VanDerWaalsContact O-N 3.1Å |
| 404 | R | 35.7 | Very low | 40 | Very low | 189 Ų | 189 | 120.5 Ų | 120.5 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.5 | -43.1 | 169.5 | -77.7 | 178 | 170 | -164.3 | -3.3 | 112.3 | I400 T401 I408 | I400-R404 WeakPolarHBondContact O-CG 3.3Å; I400-R404 PolarHBondContact O-N 3.47Å; I400-R404 VanDerWaalsContact O-N 3.14Å; T401-R404 WeakPolarHBondContact O-CB 3.46Å; T401-R404 PolarHBondContact O-N 2.95Å; T401-R404 VanDerWaalsContact O-N 3.12Å; R404-I408 WeakPolarHBondContact O-CG1 3.3Å |
| 405 | L | 39.4 | Very low | 39.6 | Very low | 59 Ų | 59 | 125.3 Ų | 125.3 | 31% | 0.309 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.6 | -52.1 | 177.6 | -70.4 | 168.8 | 0 | 0 | 0 | 111.6 | T401 N402 G407 I408 L422 | T401-L405 HydrophobicContact CG2-CD1 3.98Å; T401-L405 HydrophobicContact CG2-CG 4.48Å; T401-L405 WeakPolarHBondContact O-CG 3.3Å; T401-L405 PolarHBondContact O-N 3.03Å; N402-L405 PolarHBondContact O-N 2.7Å; L405-G407 VanDerWaalsContact C-N 3.27Å; L405-G407 PolarHBondContact O-N 3.41Å; L405-I408 WeakPolarHBondContact O-CB 3.49Å; L405-I408 PolarHBondContact O-N 2.71Å; L405-L422 HydrophobicContact CD2-CD2 3.7Å |
| 406 | S | 40.3 | Very low | 39.5 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.3 | -27.3 | 177.2 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | N402 I408 F409 | N402-S406 VanDerWaalsContact O-CB 3.29Å; N402-S406 WeakPolarHBondContact O-CB 3.28Å; N402-S406 PolarHBondContact O-N 2.82Å; N402-S406 PolarHBondContact O-OG 3.32Å; S406-I408 PolarHBondContact O-N 2.93Å; S406-F409 PolarHBondContact O-N 3.41Å |
| 407 | G | 37.8 | Very low | 39.3 | Very low | 44 Ų | 44 | 129.5 Ų | 129.5 | 45% | 0.454 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.2 | -23.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F403 L405 | F403-G407 PolarHBondContact O-N 2.85Å; F403-G407 VanDerWaalsContact O-N 3.1Å; L405-G407 VanDerWaalsContact C-N 3.27Å; L405-G407 PolarHBondContact O-N 3.41Å |
| 408 | I | 41.1 | Very low | 39.1 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 61% | 0.605 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -81.3 | -29 | 176.6 | -64.6 | 162 | 0 | 0 | 0 | 111.2 | R404 L405 S406 L410 | R404-I408 WeakPolarHBondContact O-CG1 3.3Å; L405-I408 WeakPolarHBondContact O-CB 3.49Å; L405-I408 PolarHBondContact O-N 2.71Å; S406-I408 PolarHBondContact O-N 2.93Å; I408-L410 PolarHBondContact O-N 3.47Å; I408-L410 VanDerWaalsContact O-N 3.13Å |
| 409 | F | 36.6 | Very low | 38.8 | Very low | 165 Ų | 165 | 124 Ų | 124 | 72% | 0.724 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -1.1 | -177.3 | -89.3 | -83.8 | 0 | 0 | 0 | 115.8 | S406 | S406-F409 PolarHBondContact O-N 3.41Š|
| 410 | L | 36.2 | Very low | 38.6 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 78% | 0.775 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 8.7 | -175.5 | -76 | 169.4 | 0 | 0 | 0 | 114.8 | I408 | I408-L410 PolarHBondContact O-N 3.47Å; I408-L410 VanDerWaalsContact O-N 3.13Å |
| 411 | W | 33.9 | Very low | 38.8 | Very low | 211 Ų | 211 | 124.4 Ų | 124.4 | 80% | 0.799 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -108.8 | 131 | 176 | -78.8 | 45.1 | 0 | 0 | 0 | 110.5 | D413 | W411-D413 VanDerWaalsContact C-N 3.34Å; W411-D413 PolarHBondContact O-N 2.99Å |
| 412 | P | 34.5 | Very low | 38.8 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 81% | 0.812 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -73.4 | -10.3 | -164 | -21.9 | 35.5 | 0 | 0 | 0 | 117.8 | ||
| 413 | D | 45.5 | Very low | 38.8 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 77% | 0.765 | 62% | 0.622 | S | S | * | * | trans | -126 | 81.7 | -166.6 | -70.1 | -64.8 | 0 | 0 | 0 | 112.5 | W411 | W411-D413 VanDerWaalsContact C-N 3.34Å; W411-D413 PolarHBondContact O-N 2.99Å | ||
| 414 | Y | 37 | Very low | 39.1 | Very low | 204 Ų | 204 | 123 Ų | 123 | 80% | 0.8 | 61% | 0.612 | S | S | * | * | trans | -142.4 | 145 | 164.6 | -104.4 | -81.6 | 0 | 0 | 0 | 112.8 | S418 | Y414-S418 WeakPolarHBondContact CD1-OG 3.23Š| ||
| 415 | Q | 40.1 | Very low | 39.5 | Very low | 157 Ų | 157 | 116.1 Ų | 116.1 | 73% | 0.734 | 59% | 0.593 | S | S | * | * | trans | -97.3 | 164.5 | -170.3 | -67.1 | -170 | -15.2 | 0 | 0 | 113.8 | E417 S418 | Q415-E417 PolarHBondContact O-N 2.81Å; Q415-S418 WeakPolarHBondContact O-CB 3.34Å; Q415-S418 PolarHBondContact O-N 2.66Å; Q415-S418 PolarHBondContact O-OG 3.21Å | ||
| 416 | Q | 42.8 | Very low | 39.7 | Very low | 178 Ų | 178 | 118.8 Ų | 118.8 | 83% | 0.832 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -24.2 | -170.8 | -64 | 180 | -80.6 | 0 | 0 | 115.2 | S418 V419 | Q416-S418 PolarHBondContact O-N 2.87Å; Q416-S418 VanDerWaalsContact O-N 3.11Å; Q416-V419 PolarHBondContact O-N 2.88Å |
| 417 | E | 37.2 | Very low | 40.2 | Very low | 156 Ų | 156 | 122.8 Ų | 122.8 | 73% | 0.729 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -57.5 | -23.6 | 174.1 | -62.7 | -176.8 | 143.3 | 0 | 0 | 112.6 | Q415 V419 | Q415-E417 PolarHBondContact O-N 2.81Å; E417-V419 VanDerWaalsContact C-N 3.29Å; E417-V419 PolarHBondContact O-N 3.42Å |
| 418 | S | 40 | Very low | 40.7 | Very low | 45 Ų | 45 | 126.3 Ų | 126.3 | 32% | 0.315 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71.5 | -18.9 | -179.4 | -46.6 | 0 | 0 | 0 | 0 | 114 | Y414 Q415 Q416 L422 | Y414-S418 WeakPolarHBondContact CD1-OG 3.23Å; Q415-S418 WeakPolarHBondContact O-CB 3.34Å; Q415-S418 PolarHBondContact O-N 2.66Å; Q415-S418 PolarHBondContact O-OG 3.21Å; Q416-S418 PolarHBondContact O-N 2.87Å; Q416-S418 VanDerWaalsContact O-N 3.11Å; S418-L422 WeakPolarHBondContact O-CD1 3.39Å; S418-L422 WeakPolarHBondContact O-CG 3.46Å |
| 419 | V | 39.4 | Very low | 40.9 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 49% | 0.491 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -79.5 | -45.9 | -177.9 | -178.7 | 0 | 0 | 0 | 0 | 111 | Q416 E417 V421 L422 E423 | Q416-V419 PolarHBondContact O-N 2.88Å; E417-V419 VanDerWaalsContact C-N 3.29Å; E417-V419 PolarHBondContact O-N 3.42Å; V419-V421 VanDerWaalsContact C-N 3.31Å; V419-V421 PolarHBondContact O-N 2.87Å; V419-L422 WeakPolarHBondContact O-CA 3.46Å; V419-L422 WeakPolarHBondContact O-CB 3.23Å; V419-L422 PolarHBondContact O-N 3.34Å; V419-E423 PolarHBondContact O-N 3.44Å |
| 420 | L | 38.4 | Very low | 41.3 | Very low | 114 Ų | 114 | 121.4 Ų | 121.4 | 60% | 0.597 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.8 | -39.8 | 179.2 | -73.1 | 164.5 | 0 | 0 | 0 | 112.1 | L422 E423 E424 | L420-L422 PolarHBondContact O-N 3.33Å; L420-E423 PolarHBondContact O-N 2.93Å; L420-E424 WeakPolarHBondContact O-CB 3.5Å; L420-E424 WeakPolarHBondContact O-CG 3.32Å; L420-E424 PolarHBondContact O-N 2.98Å |
| 421 | V | 42.9 | Very low | 42.2 | Very low | 93 Ų | 93 | 119.6 Ų | 119.6 | 56% | 0.564 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.4 | -27.1 | 176.2 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | V419 S425 | V419-V421 VanDerWaalsContact C-N 3.31Å; V419-V421 PolarHBondContact O-N 2.87Å; V421-S425 WeakPolarHBondContact O-CB 3.42Å; V421-S425 PolarHBondContact O-N 3.32Å; V421-S425 VanDerWaalsContact O-N 3.13Å |
| 422 | L | 38.3 | Very low | 43.2 | Very low | 65 Ų | 65 | 113 Ų | 113 | 34% | 0.34 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -77.9 | -43.1 | 174.5 | -73.4 | 170.9 | 0 | 0 | 0 | 111.7 | L405 S418 V419 L420 S425 E426 | L405-L422 HydrophobicContact CD2-CD2 3.7Å; S418-L422 WeakPolarHBondContact O-CD1 3.39Å; S418-L422 WeakPolarHBondContact O-CG 3.46Å; V419-L422 WeakPolarHBondContact O-CA 3.46Å; V419-L422 WeakPolarHBondContact O-CB 3.23Å; V419-L422 PolarHBondContact O-N 3.34Å; L420-L422 PolarHBondContact O-N 3.33Å; L422-S425 WeakPolarHBondContact O-CB 3.44Å; L422-S425 PolarHBondContact O-N 3.29Å; L422-S425 VanDerWaalsContact O-N 3.09Å; L422-S425 PolarHBondContact O-OG 3.18Å; L422-E426 PolarHBondContact O-N 3.07Å |
| 423 | E | 42.3 | Very low | 43.6 | Very low | 111 Ų | 111 | 112.2 Ų | 112.2 | 52% | 0.519 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.2 | -45.5 | 173.1 | -67.9 | 176.3 | 146 | 0 | 0 | 111 | V419 L420 S425 E426 E427 | V419-E423 PolarHBondContact O-N 3.44Å; L420-E423 PolarHBondContact O-N 2.93Å; E423-S425 VanDerWaalsContact C-N 3.28Å; E423-S425 PolarHBondContact O-N 3.32Å; E423-E426 PolarHBondContact O-N 3.17Å; E423-E426 VanDerWaalsContact O-N 3.14Å; E423-E427 PolarHBondContact O-N 3.35Å; E423-E427 VanDerWaalsContact O-N 3.1Å |
| 424 | E | 42.9 | Very low | 43.8 | Very low | 111 Ų | 111 | 109.5 Ų | 109.5 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.4 | -37.5 | 171.5 | -77.1 | -170.1 | 144.9 | 0 | 0 | 112.2 | L420 E426 Q428 | L420-E424 WeakPolarHBondContact O-CB 3.5Å; L420-E424 WeakPolarHBondContact O-CG 3.32Å; L420-E424 PolarHBondContact O-N 2.98Å; E424-E426 VanDerWaalsContact C-N 3.35Å; E424-Q428 WeakPolarHBondContact O-CB 3.42Å; E424-Q428 WeakPolarHBondContact O-CG 3.27Å; E424-Q428 PolarHBondContact O-N 2.91Å |
| 425 | S | 42.7 | Very low | 44.7 | Very low | 45 Ų | 45 | 105.8 Ų | 105.8 | 32% | 0.315 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.7 | -29.2 | 177.6 | 81.2 | 0 | 0 | 0 | 0 | 113.3 | V421 L422 E423 H429 | V421-S425 WeakPolarHBondContact O-CB 3.42Å; V421-S425 PolarHBondContact O-N 3.32Å; V421-S425 VanDerWaalsContact O-N 3.13Å; L422-S425 WeakPolarHBondContact O-CB 3.44Å; L422-S425 PolarHBondContact O-N 3.29Å; L422-S425 VanDerWaalsContact O-N 3.09Å; L422-S425 PolarHBondContact O-OG 3.18Å; E423-S425 VanDerWaalsContact C-N 3.28Å; E423-S425 PolarHBondContact O-N 3.32Å; S425-H429 VanDerWaalsContact O-CB 3.31Å; S425-H429 WeakPolarHBondContact O-CB 3.48Å; S425-H429 PolarHBondContact O-N 3.17Å |
| 426 | E | 44.2 | Very low | 45.2 | Very low | 115 Ų | 115 | 100 Ų | 100 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | I | π-helix | trans | -73.8 | -43.5 | 177.3 | -165.1 | 161.3 | -142.4 | 0 | 0 | 110.7 | L422 E423 E424 V430 Q431 | L422-E426 PolarHBondContact O-N 3.07Å; E423-E426 PolarHBondContact O-N 3.17Å; E423-E426 VanDerWaalsContact O-N 3.14Å; E424-E426 VanDerWaalsContact C-N 3.35Å; E426-V430 HydrophobicContact CG-CB 4.07Å; E426-V430 HydrophobicContact CG-CG2 4.12Å; E426-V430 WeakPolarHBondContact O-CA 3.4Å; E426-V430 WeakPolarHBondContact O-CB 3.11Å; E426-V430 PolarHBondContact O-N 3.22Å; E426-Q431 PolarHBondContact O-N 3.49Å; E426-Q431 VanDerWaalsContact O-N 3.12Å |
| 427 | E | 50.3 | Low | 45.6 | Very low | 150 Ų | 150 | 96.2 Ų | 96.2 | 70% | 0.701 | 50% | 0.498 | S | S | * | . | I | π-helix | trans | -67.8 | -39.6 | 171.1 | -73.9 | -159.4 | 135.1 | 0 | 0 | 113.4 | E423 P432 | E423-E427 PolarHBondContact O-N 3.35Å; E423-E427 VanDerWaalsContact O-N 3.1Å; E427-P432 WeakPolarHBondContact O-CD 3.38Å |
| 428 | Q | 48.5 | Very low | 46.3 | Very low | 118 Ų | 118 | 93.5 Ų | 93.5 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | I | π-helix | trans | -79.8 | -20.9 | -176.9 | -70.8 | 178.9 | 32.3 | 0 | 0 | 114.2 | E424 | E424-Q428 WeakPolarHBondContact O-CB 3.42Å; E424-Q428 WeakPolarHBondContact O-CG 3.27Å; E424-Q428 PolarHBondContact O-N 2.91Å |
| 429 | H | 45.1 | Very low | 47 | Very low | 122 Ų | 122 | 95.7 Ų | 95.7 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | I | π-helix | trans | -128.4 | -34.9 | -174.2 | -58.7 | -25.6 | 0 | 0 | 0 | 115.1 | S425 L433 | S425-H429 VanDerWaalsContact O-CB 3.31Å; S425-H429 WeakPolarHBondContact O-CB 3.48Å; S425-H429 PolarHBondContact O-N 3.17Å; H429-L433 WeakPolarHBondContact O-CB 3.49Å; H429-L433 WeakPolarHBondContact O-CD1 3.3Å; H429-L433 WeakPolarHBondContact O-CG 3.46Å |
| 430 | V | 46.3 | Very low | 47.5 | Very low | 57 Ų | 57 | 94 Ų | 94 | 35% | 0.345 | 49% | 0.488 | S | S | . | . | I | π-helix | trans | -84.5 | -47.5 | -178 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | E426 L433 L434 | E426-V430 HydrophobicContact CG-CB 4.07Å; E426-V430 HydrophobicContact CG-CG2 4.12Å; E426-V430 WeakPolarHBondContact O-CA 3.4Å; E426-V430 WeakPolarHBondContact O-CB 3.11Å; E426-V430 PolarHBondContact O-N 3.22Å; V430-L433 PolarHBondContact O-N 2.96Å; V430-L433 VanDerWaalsContact O-N 3.16Å; V430-L434 HydrophobicContact CG1-CD1 4.04Å; V430-L434 PolarHBondContact O-N 2.8Å |
| 431 | Q | 55 | Low | 48 | Very low | 110 Ų | 110 | 91.1 Ų | 91.1 | 51% | 0.514 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 178.6 | -66.1 | -66.2 | -12.7 | 0 | 0 | 113.8 | E426 L433 L434 K435 | E426-Q431 PolarHBondContact O-N 3.49Å; E426-Q431 VanDerWaalsContact O-N 3.12Å; Q431-L433 VanDerWaalsContact C-N 3.32Å; Q431-L433 PolarHBondContact O-N 3.12Å; Q431-L434 PolarHBondContact O-N 3.17Å; Q431-K435 WeakPolarHBondContact O-CB 3.31Å; Q431-K435 PolarHBondContact O-N 2.87Å |
| 432 | P | 53 | Low | 48.7 | Very low | 72 Ų | 72 | 93 Ų | 93 | 47% | 0.468 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.7 | -27.7 | 176 | -21.5 | 35.8 | 0 | 0 | 0 | 113.3 | E427 G436 | E427-P432 WeakPolarHBondContact O-CD 3.38Å; P432-G436 PolarHBondContact O-N 3.41Å |
| 433 | L | 43.3 | Very low | 49.4 | Very low | 110 Ų | 110 | 94 Ų | 94 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -74.7 | -34.5 | 174.4 | -84 | 174 | 0 | 0 | 0 | 112.5 | H429 V430 Q431 H437 | H429-L433 WeakPolarHBondContact O-CB 3.49Å; H429-L433 WeakPolarHBondContact O-CD1 3.3Å; H429-L433 WeakPolarHBondContact O-CG 3.46Å; V430-L433 PolarHBondContact O-N 2.96Å; V430-L433 VanDerWaalsContact O-N 3.16Å; Q431-L433 VanDerWaalsContact C-N 3.32Å; Q431-L433 PolarHBondContact O-N 3.12Å; L433-H437 WeakPolarHBondContact O-CB 3.46Å; L433-H437 PolarHBondContact O-N 3.46Å |
| 434 | L | 49.2 | Very low | 49.7 | Very low | 86 Ų | 86 | 92.7 Ų | 92.7 | 45% | 0.45 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -53.3 | 170.2 | -74.1 | 165.3 | 0 | 0 | 0 | 110.4 | V430 Q431 G436 H437 D438 | V430-L434 HydrophobicContact CG1-CD1 4.04Å; V430-L434 PolarHBondContact O-N 2.8Å; Q431-L434 PolarHBondContact O-N 3.17Å; L434-G436 VanDerWaalsContact C-N 3.32Å; L434-G436 PolarHBondContact O-N 3.17Å; L434-H437 WeakPolarHBondContact O-CA 3.49Å; L434-H437 VanDerWaalsContact O-CB 3.28Å; L434-H437 WeakPolarHBondContact O-CB 3.3Å; L434-H437 PolarHBondContact O-N 2.89Å; L434-D438 PolarHBondContact O-N 2.89Å |
| 435 | K | 55.8 | Low | 50.1 | Low | 125 Ų | 125 | 89.8 Ų | 89.8 | 54% | 0.543 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 179.8 | -168.7 | 172 | -172.8 | -73.2 | 0 | 112.9 | Q431 H437 D438 E439 | Q431-K435 WeakPolarHBondContact O-CB 3.31Å; Q431-K435 PolarHBondContact O-N 2.87Å; K435-H437 VanDerWaalsContact C-N 3.27Å; K435-H437 PolarHBondContact O-N 2.88Å; K435-D438 PolarHBondContact O-N 3.21Å; K435-E439 IonicContact NZ-OE1 2.71Å; K435-E439 PolarHBondContact NZ-OE1 3.26Å; K435-E439 WeakPolarHBondContact O-CB 3.46Å; K435-E439 VanDerWaalsContact O-CG 3.31Å; K435-E439 WeakPolarHBondContact O-CG 3.32Å; K435-E439 PolarHBondContact O-N 3.48Å |
| 436 | G | 51.5 | Low | 50.7 | Low | 36 Ų | 36 | 92.6 Ų | 92.6 | 37% | 0.371 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.2 | -17.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P432 L434 A440 | P432-G436 PolarHBondContact O-N 3.41Å; L434-G436 VanDerWaalsContact C-N 3.32Å; L434-G436 PolarHBondContact O-N 3.17Å; G436-A440 VanDerWaalsContact O-CB 3.31Å; G436-A440 WeakPolarHBondContact O-CB 3.49Å; G436-A440 PolarHBondContact O-N 2.88Å |
| 437 | H | 50.8 | Low | 51 | Low | 98 Ų | 98 | 90.4 Ų | 90.4 | 45% | 0.454 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -79.5 | -42.2 | 168.8 | 178.3 | -80.1 | 0 | 0 | 0 | 110.9 | L433 L434 K435 A440 S441 | L433-H437 WeakPolarHBondContact O-CB 3.46Å; L433-H437 PolarHBondContact O-N 3.46Å; L434-H437 WeakPolarHBondContact O-CA 3.49Å; L434-H437 VanDerWaalsContact O-CB 3.28Å; L434-H437 WeakPolarHBondContact O-CB 3.3Å; L434-H437 PolarHBondContact O-N 2.89Å; K435-H437 VanDerWaalsContact C-N 3.27Å; K435-H437 PolarHBondContact O-N 2.88Å; H437-A440 PolarHBondContact O-N 2.68Å; H437-S441 WeakPolarHBondContact O-CB 3.4Å; H437-S441 PolarHBondContact O-N 2.73Å |
| 438 | D | 51.6 | Low | 51.1 | Low | 99 Ų | 99 | 85.8 Ų | 85.8 | 53% | 0.529 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 178 | -60.3 | -26.6 | 0 | 0 | 0 | 111.2 | L434 K435 A440 S441 E442 | L434-D438 PolarHBondContact O-N 2.89Å; K435-D438 PolarHBondContact O-N 3.21Å; D438-A440 VanDerWaalsContact C-N 3.28Å; D438-A440 PolarHBondContact O-N 3.37Å; D438-S441 WeakPolarHBondContact O-CB 3.41Å; D438-S441 PolarHBondContact O-N 2.67Å; D438-S441 VanDerWaalsContact O-N 3.12Å; D438-E442 WeakPolarHBondContact O-CB 3.42Å; D438-E442 PolarHBondContact O-N 2.85Å |
| 439 | E | 55.2 | Low | 51.6 | Low | 91 Ų | 91 | 84.3 Ų | 84.3 | 43% | 0.425 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.2 | -36.4 | 173.5 | -73 | 171.7 | 179.6 | 0 | 0 | 112.5 | K435 T443 | K435-E439 IonicContact NZ-OE1 2.71Å; K435-E439 PolarHBondContact NZ-OE1 3.26Å; K435-E439 WeakPolarHBondContact O-CB 3.46Å; K435-E439 VanDerWaalsContact O-CG 3.31Å; K435-E439 WeakPolarHBondContact O-CG 3.32Å; K435-E439 PolarHBondContact O-N 3.48Å; E439-T443 WeakPolarHBondContact O-CB 3.35Å; E439-T443 PolarHBondContact O-N 2.69Å; E439-T443 PolarHBondContact O-OG1 3.31Å |
| 440 | A | 50 | Low | 52.2 | Low | 45 Ų | 45 | 85 Ų | 85 | 37% | 0.372 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -71.2 | -39.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G436 H437 D438 T443 I444 | G436-A440 VanDerWaalsContact O-CB 3.31Å; G436-A440 WeakPolarHBondContact O-CB 3.49Å; G436-A440 PolarHBondContact O-N 2.88Å; H437-A440 PolarHBondContact O-N 2.68Å; D438-A440 VanDerWaalsContact C-N 3.28Å; D438-A440 PolarHBondContact O-N 3.37Å; A440-T443 PolarHBondContact O-N 3.25Å; A440-I444 WeakPolarHBondContact O-CB 3.38Å; A440-I444 WeakPolarHBondContact O-CD1 3.46Å; A440-I444 WeakPolarHBondContact O-CG1 3.39Å; A440-I444 PolarHBondContact O-N 2.94Å |
| 441 | S | 49.3 | Very low | 52.4 | Low | 54 Ų | 54 | 87.3 Ų | 87.3 | 38% | 0.378 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 176.8 | -169.8 | 0 | 0 | 0 | 0 | 111.9 | H437 D438 I444 S445 | H437-S441 WeakPolarHBondContact O-CB 3.4Å; H437-S441 PolarHBondContact O-N 2.73Å; D438-S441 WeakPolarHBondContact O-CB 3.41Å; D438-S441 PolarHBondContact O-N 2.67Å; D438-S441 VanDerWaalsContact O-N 3.12Å; S441-I444 PolarHBondContact O-N 3.31Å; S441-S445 WeakPolarHBondContact O-CB 3.37Å; S441-S445 PolarHBondContact O-N 2.89Å |
| 442 | E | 57.5 | Low | 52.3 | Low | 132 Ų | 132 | 84.9 Ų | 84.9 | 62% | 0.617 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.5 | -50.7 | 173.8 | -171.4 | 170.1 | -142.8 | 0 | 0 | 110.9 | D438 I444 S445 D446 | D438-E442 WeakPolarHBondContact O-CB 3.42Å; D438-E442 PolarHBondContact O-N 2.85Å; E442-I444 VanDerWaalsContact C-N 3.29Å; E442-I444 PolarHBondContact O-N 3.42Å; E442-S445 WeakPolarHBondContact O-CB 3.32Å; E442-S445 PolarHBondContact O-N 3.37Å; E442-D446 PolarHBondContact O-N 3.15Å |
| 443 | T | 52.1 | Low | 52.5 | Low | 88 Ų | 88 | 85.3 Ų | 85.3 | 54% | 0.54 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.7 | -39.5 | 176.1 | -56 | 0 | 0 | 0 | 0 | 112.5 | E439 A440 T447 | E439-T443 WeakPolarHBondContact O-CB 3.35Å; E439-T443 PolarHBondContact O-N 2.69Å; E439-T443 PolarHBondContact O-OG1 3.31Å; A440-T443 PolarHBondContact O-N 3.25Å; T443-T447 PolarHBondContact O-N 3.28Å; T443-T447 VanDerWaalsContact O-N 3.1Å; T443-T447 PolarHBondContact O-OG1 2.98Å |
| 444 | I | 48.8 | Very low | 53 | Low | 83 Ų | 83 | 86 Ų | 86 | 43% | 0.426 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 175.9 | -72.2 | 164.7 | 0 | 0 | 0 | 110.4 | A440 S441 E442 D446 T447 E448 | A440-I444 WeakPolarHBondContact O-CB 3.38Å; A440-I444 WeakPolarHBondContact O-CD1 3.46Å; A440-I444 WeakPolarHBondContact O-CG1 3.39Å; A440-I444 PolarHBondContact O-N 2.94Å; S441-I444 PolarHBondContact O-N 3.31Å; E442-I444 VanDerWaalsContact C-N 3.29Å; E442-I444 PolarHBondContact O-N 3.42Å; I444-D446 PolarHBondContact O-N 3.17Å; I444-T447 PolarHBondContact O-N 3.23Å; I444-E448 HydrophobicContact CG2-CG 4.38Å; I444-E448 VanDerWaalsContact CG2-OE1 3.31Å; I444-E448 WeakPolarHBondContact CG2-OE1 3.42Å; I444-E448 WeakPolarHBondContact O-CG 3.39Å; I444-E448 PolarHBondContact O-N 2.93Å |
| 445 | S | 51.3 | Low | 53.2 | Low | 50 Ų | 50 | 84.3 Ų | 84.3 | 35% | 0.35 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 178.2 | -165 | 0 | 0 | 0 | 0 | 112.7 | S441 E442 E448 N449 | S441-S445 WeakPolarHBondContact O-CB 3.37Å; S441-S445 PolarHBondContact O-N 2.89Å; E442-S445 WeakPolarHBondContact O-CB 3.32Å; E442-S445 PolarHBondContact O-N 3.37Å; S445-E448 PolarHBondContact O-N 2.71Å; S445-N449 WeakPolarHBondContact O-CB 3.44Å; S445-N449 VanDerWaalsContact O-CG 3.24Å; S445-N449 PolarHBondContact O-N 3.06Å; S445-N449 PolarHBondContact O-ND2 2.95Å; S445-N449 VanDerWaalsContact O-ND2 3.08Å |
| 446 | D | 55.9 | Low | 53.3 | Low | 104 Ų | 104 | 81.1 Ų | 81.1 | 56% | 0.556 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -67.1 | -38.4 | 174.1 | -81.2 | -14.7 | 0 | 0 | 0 | 111.8 | E442 I444 N449 Q450 | E442-D446 PolarHBondContact O-N 3.15Å; I444-D446 PolarHBondContact O-N 3.17Å; D446-N449 PolarHBondContact O-N 3.3Å; D446-Q450 WeakPolarHBondContact O-CB 3.47Å; D446-Q450 PolarHBondContact O-N 2.98Å |
| 447 | T | 51.5 | Low | 53.7 | Low | 68 Ų | 68 | 84.1 Ų | 84.1 | 42% | 0.417 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 176.1 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | T443 I444 Q450 M451 | T443-T447 PolarHBondContact O-N 3.28Å; T443-T447 VanDerWaalsContact O-N 3.1Å; T443-T447 PolarHBondContact O-OG1 2.98Å; I444-T447 PolarHBondContact O-N 3.23Å; T447-Q450 PolarHBondContact O-N 3.49Å; T447-M451 WeakPolarHBondContact O-CG 3.45Å; T447-M451 PolarHBondContact O-N 2.93Å |
| 448 | E | 51.4 | Low | 53.9 | Low | 53 Ų | 53 | 82.8 Ų | 82.8 | 25% | 0.248 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60.1 | -56.6 | 172 | -75 | 166.2 | -177.9 | 0 | 0 | 110.2 | K386 I444 S445 Q450 M451 D452 | K386-E448 IonicContact NZ-OE1 3.51Å; K386-E448 PolarHBondContact NZ-OE1 2.7Å; K386-E448 IonicContact NZ-OE2 2.67Å; K386-E448 PolarHBondContact NZ-OE2 3.38Å; I444-E448 HydrophobicContact CG2-CG 4.38Å; I444-E448 VanDerWaalsContact CG2-OE1 3.31Å; I444-E448 WeakPolarHBondContact CG2-OE1 3.42Å; I444-E448 WeakPolarHBondContact O-CG 3.39Å; I444-E448 PolarHBondContact O-N 2.93Å; S445-E448 PolarHBondContact O-N 2.71Å; E448-Q450 PolarHBondContact O-N 3.18Å; E448-Q450 VanDerWaalsContact O-N 3.08Å; E448-M451 WeakPolarHBondContact O-CA 3.44Å; E448-M451 WeakPolarHBondContact O-CB 3.33Å; E448-M451 PolarHBondContact O-N 3.49Å; E448-D452 PolarHBondContact O-N 3.39Å |
| 449 | N | 59.1 | Low | 54.3 | Low | 88 Ų | 88 | 79.2 Ų | 79.2 | 47% | 0.471 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -51.7 | -38 | 177 | -72.4 | -37.6 | 0 | 0 | 0 | 113.2 | S445 D446 T453 | S445-N449 WeakPolarHBondContact O-CB 3.44Å; S445-N449 VanDerWaalsContact O-CG 3.24Å; S445-N449 PolarHBondContact O-N 3.06Å; S445-N449 PolarHBondContact O-ND2 2.95Å; S445-N449 VanDerWaalsContact O-ND2 3.08Å; D446-N449 PolarHBondContact O-N 3.3Å; N449-T453 WeakPolarHBondContact O-CB 3.45Å; N449-T453 PolarHBondContact O-N 3.01Å; N449-T453 VanDerWaalsContact O-N 3.15Å; N449-T453 PolarHBondContact O-OG1 3.42Å |
| 450 | Q | 56.6 | Low | 54.8 | Low | 135 Ų | 135 | 81.2 Ų | 81.2 | 63% | 0.631 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -69.9 | -38.8 | 176.4 | -171.8 | 174.5 | 9.2 | 0 | 0 | 112.6 | D446 T447 E448 Q454 | D446-Q450 WeakPolarHBondContact O-CB 3.47Å; D446-Q450 PolarHBondContact O-N 2.98Å; T447-Q450 PolarHBondContact O-N 3.49Å; E448-Q450 PolarHBondContact O-N 3.18Å; E448-Q450 VanDerWaalsContact O-N 3.08Å; Q450-Q454 WeakPolarHBondContact O-CB 3.44Å; Q450-Q454 PolarHBondContact O-N 2.96Å |
| 451 | M | 51.1 | Low | 55.3 | Low | 106 Ų | 106 | 82 Ų | 82 | 52% | 0.522 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.3 | -47.4 | 174.6 | -74.4 | 177.5 | 55.3 | 0 | 0 | 111.9 | T447 E448 T453 Q454 V455 | T447-M451 WeakPolarHBondContact O-CG 3.45Å; T447-M451 PolarHBondContact O-N 2.93Å; E448-M451 WeakPolarHBondContact O-CA 3.44Å; E448-M451 WeakPolarHBondContact O-CB 3.33Å; E448-M451 PolarHBondContact O-N 3.49Å; M451-T453 VanDerWaalsContact C-N 3.26Å; M451-T453 PolarHBondContact O-N 3.4Å; M451-Q454 PolarHBondContact O-N 2.97Å; M451-V455 WeakPolarHBondContact O-CB 3.47Å; M451-V455 VanDerWaalsContact O-CG2 3.29Å; M451-V455 WeakPolarHBondContact O-CG2 3.46Å; M451-V455 PolarHBondContact O-N 2.98Å |
| 452 | D | 52.4 | Low | 55.6 | Low | 60 Ų | 60 | 82.2 Ų | 82.2 | 32% | 0.321 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -54.3 | -44.4 | 176.1 | -74 | 43.5 | 0 | 0 | 0 | 111.1 | H379 E448 N456 | H379-D452 IonicContact CD2-OD1 2.75Å; H379-D452 PolarHBondContact CD2-OD1 2.94Å; H379-D452 IonicContact CD2-OD2 3.4Å; H379-D452 PolarHBondContact CD2-OD2 3.27Å; E448-D452 PolarHBondContact O-N 3.39Å; D452-N456 PolarHBondContact O-N 3.27Å; D452-N456 VanDerWaalsContact O-N 3.11Å; D452-N456 PolarHBondContact O-ND2 3.38Å |
| 453 | T | 58.2 | Low | 55.7 | Low | 80 Ų | 80 | 76.8 Ų | 76.8 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.3 | -54.6 | 175.8 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | N449 M451 V455 N456 D457 | N449-T453 WeakPolarHBondContact O-CB 3.45Å; N449-T453 PolarHBondContact O-N 3.01Å; N449-T453 VanDerWaalsContact O-N 3.15Å; N449-T453 PolarHBondContact O-OG1 3.42Å; M451-T453 VanDerWaalsContact C-N 3.26Å; M451-T453 PolarHBondContact O-N 3.4Å; T453-V455 VanDerWaalsContact C-N 3.27Å; T453-V455 PolarHBondContact O-N 3.28Å; T453-N456 PolarHBondContact O-N 3.45Å; T453-D457 WeakPolarHBondContact O-CB 3.41Å; T453-D457 PolarHBondContact O-N 3.17Å |
| 454 | Q | 54 | Low | 56.5 | Low | 125 Ų | 125 | 78.3 Ų | 78.3 | 58% | 0.584 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.5 | -33.6 | -177 | -174.7 | 176.5 | 2 | 0 | 0 | 113.1 | Q450 M451 S458 | Q450-Q454 WeakPolarHBondContact O-CB 3.44Å; Q450-Q454 PolarHBondContact O-N 2.96Å; M451-Q454 PolarHBondContact O-N 2.97Å; Q454-S458 WeakPolarHBondContact O-CB 3.49Å; Q454-S458 PolarHBondContact O-N 2.87Å; Q454-S458 VanDerWaalsContact O-N 3.13Å; Q454-S458 PolarHBondContact O-OG 3.05Å |
| 455 | V | 52.8 | Low | 57.3 | Low | 50 Ų | 50 | 78.9 Ų | 78.9 | 30% | 0.303 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -72.8 | -42 | 177.6 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | V375 M451 T453 S458 K459 | V375-V455 HydrophobicContact CB-CG1 4.39Å; V375-V455 HydrophobicContact CG1-CG1 3.96Å; V375-V455 HydrophobicContact CG2-CG1 3.43Å; V375-V455 VanDerWaalsContact CG2-CG1 3.43Å; M451-V455 WeakPolarHBondContact O-CB 3.47Å; M451-V455 VanDerWaalsContact O-CG2 3.29Å; M451-V455 WeakPolarHBondContact O-CG2 3.46Å; M451-V455 PolarHBondContact O-N 2.98Å; T453-V455 VanDerWaalsContact C-N 3.27Å; T453-V455 PolarHBondContact O-N 3.28Å; V455-S458 PolarHBondContact O-N 3.4Å; V455-K459 PolarHBondContact O-N 3.39Å |
| 456 | N | 59 | Low | 57.6 | Low | 58 Ų | 58 | 78.6 Ų | 78.6 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.8 | -42.9 | 175.6 | -77.4 | -70.6 | 0 | 0 | 0 | 112.2 | D452 T453 S458 K459 E460 | D452-N456 PolarHBondContact O-N 3.27Å; D452-N456 VanDerWaalsContact O-N 3.11Å; D452-N456 PolarHBondContact O-ND2 3.38Å; T453-N456 PolarHBondContact O-N 3.45Å; N456-S458 PolarHBondContact O-N 2.78Å; N456-K459 WeakPolarHBondContact O-CB 3.27Å; N456-K459 PolarHBondContact O-N 3.37Å; N456-K459 PolarHBondContact OD1-NZ 2.93Å; N456-E460 PolarHBondContact O-N 2.95Å |
| 457 | D | 60.1 | Low | 57.9 | Low | 100 Ų | 100 | 78.4 Ų | 78.4 | 54% | 0.535 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -53.9 | -43 | 172.2 | -73.6 | -15.4 | 0 | 0 | 0 | 111.3 | T453 A461 | T453-D457 WeakPolarHBondContact O-CB 3.41Å; T453-D457 PolarHBondContact O-N 3.17Å; D457-A461 WeakPolarHBondContact O-CB 3.49Å; D457-A461 PolarHBondContact O-N 3.43Å |
| 458 | S | 53.5 | Low | 58.7 | Low | 69 Ų | 69 | 80.4 Ų | 80.4 | 48% | 0.483 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69 | -34.7 | 178.8 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | Q454 V455 N456 L462 | Q454-S458 WeakPolarHBondContact O-CB 3.49Å; Q454-S458 PolarHBondContact O-N 2.87Å; Q454-S458 VanDerWaalsContact O-N 3.13Å; Q454-S458 PolarHBondContact O-OG 3.05Å; V455-S458 PolarHBondContact O-N 3.4Å; N456-S458 PolarHBondContact O-N 2.78Å; S458-L462 WeakPolarHBondContact O-CB 3.39Å; S458-L462 PolarHBondContact O-N 3.09Å; S458-L462 VanDerWaalsContact O-N 3.16Å |
| 459 | K | 61.5 | Low | 59.1 | Low | 25 Ų | 25 | 79.7 Ų | 79.7 | 11% | 0.109 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.1 | -50.3 | 174.7 | -176.8 | -168.3 | 77.8 | -178.4 | 0 | 111.1 | D368 I371 S372 V455 N456 A461 L462 I463 | D368-K459 VanDerWaalsContact OD1-CD 3.26Å; D368-K459 WeakPolarHBondContact OD1-CD 3.37Å; D368-K459 WeakPolarHBondContact OD1-CE 3.37Å; D368-K459 IonicContact OD1-NZ 3.34Å; D368-K459 PolarHBondContact OD1-NZ 2.99Å; I371-K459 HydrophobicContact CB-CD 4.2Å; I371-K459 HydrophobicContact CB-CG 4.29Å; I371-K459 HydrophobicContact CG2-CB 4.35Å; I371-K459 HydrophobicContact CG2-CD 3.79Å; I371-K459 HydrophobicContact CG2-CG 3.75Å; S372-K459 PolarHBondContact OG-NZ 3.05Å; V455-K459 PolarHBondContact O-N 3.39Å; N456-K459 WeakPolarHBondContact O-CB 3.27Å; N456-K459 PolarHBondContact O-N 3.37Å; N456-K459 PolarHBondContact OD1-NZ 2.93Å; K459-A461 VanDerWaalsContact C-N 3.32Å; K459-A461 PolarHBondContact O-N 3.01Å; K459-L462 PolarHBondContact O-N 2.91Å; K459-L462 VanDerWaalsContact O-N 3.14Å; K459-I463 HydrophobicContact CG-CG1 4.48Å; K459-I463 WeakPolarHBondContact O-CG1 3.5Å; K459-I463 PolarHBondContact O-N 3.23Å |
| 460 | E | 64.9 | Low | 59.2 | Low | 133 Ų | 133 | 77 Ų | 77 | 62% | 0.621 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.8 | -41.7 | 179.3 | -70.9 | -169.7 | -171.3 | 0 | 0 | 111.7 | N456 L462 K464 | N456-E460 PolarHBondContact O-N 2.95Å; E460-L462 VanDerWaalsContact C-N 3.35Å; E460-L462 PolarHBondContact O-N 3.3Å; E460-K464 VanDerWaalsContact O-CB 3.22Å; E460-K464 WeakPolarHBondContact O-CB 3.47Å; E460-K464 PolarHBondContact O-N 2.98Å |
| 461 | A | 60.7 | Low | 59.5 | Low | 62 Ų | 62 | 75.6 Ų | 75.6 | 51% | 0.512 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | D457 K459 E465 | D457-A461 WeakPolarHBondContact O-CB 3.49Å; D457-A461 PolarHBondContact O-N 3.43Å; K459-A461 VanDerWaalsContact C-N 3.32Å; K459-A461 PolarHBondContact O-N 3.01Å; A461-E465 PolarHBondContact O-N 2.98Å |
| 462 | L | 55 | Low | 60.1 | Low | 58 Ų | 58 | 76.2 Ų | 76.2 | 30% | 0.304 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69 | -49.1 | 179.1 | 176.8 | 62.4 | 0 | 0 | 0 | 112.4 | I371 S458 K459 E460 K464 E465 I466 | I371-L462 HydrophobicContact CD1-CD2 4.38Å; S458-L462 WeakPolarHBondContact O-CB 3.39Å; S458-L462 PolarHBondContact O-N 3.09Å; S458-L462 VanDerWaalsContact O-N 3.16Å; K459-L462 PolarHBondContact O-N 2.91Å; K459-L462 VanDerWaalsContact O-N 3.14Å; E460-L462 VanDerWaalsContact C-N 3.35Å; E460-L462 PolarHBondContact O-N 3.3Å; L462-K464 PolarHBondContact O-N 2.93Å; L462-E465 PolarHBondContact O-N 3.25Å; L462-I466 HydrophobicContact CD1-CD1 4.21Å; L462-I466 HydrophobicContact CG-CD1 4.18Å; L462-I466 WeakPolarHBondContact O-CG1 3.17Å; L462-I466 PolarHBondContact O-N 3.43Å; L462-I466 VanDerWaalsContact O-N 3.15Å |
| 463 | I | 60.3 | Low | 60.9 | Low | 17 Ų | 17 | 74.8 Ų | 74.8 | 9% | 0.087 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.6 | -38.8 | 177.5 | -65.7 | -63.4 | 0 | 0 | 0 | 110.2 | V364 L367 D368 K459 I466 Q467 | V364-I463 HydrophobicContact CG1-CD1 4.42Å; V364-I463 HydrophobicContact CG1-CG2 3.99Å; L367-I463 HydrophobicContact CD2-CD1 4.3Å; L367-I463 HydrophobicContact CG-CD1 4.29Å; D368-I463 HydrophobicContact CB-CD1 3.96Å; D368-I463 HydrophobicContact CB-CG1 4.21Å; K459-I463 HydrophobicContact CG-CG1 4.48Å; K459-I463 WeakPolarHBondContact O-CG1 3.5Å; K459-I463 PolarHBondContact O-N 3.23Å; I463-I466 PolarHBondContact O-N 3.4Å; I463-Q467 WeakPolarHBondContact O-CG 3.45Å; I463-Q467 PolarHBondContact O-N 3.17Å |
| 464 | K | 68.7 | Low | 61.4 | Low | 120 Ų | 120 | 72.7 Ų | 72.7 | 52% | 0.522 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 176.1 | -175.9 | 173.7 | 172.8 | 178.4 | 0 | 113.9 | E460 L462 I466 Q467 E468 | E460-K464 VanDerWaalsContact O-CB 3.22Å; E460-K464 WeakPolarHBondContact O-CB 3.47Å; E460-K464 PolarHBondContact O-N 2.98Å; L462-K464 PolarHBondContact O-N 2.93Å; K464-I466 VanDerWaalsContact C-N 3.28Å; K464-I466 PolarHBondContact O-N 2.89Å; K464-Q467 PolarHBondContact O-N 3.42Å; K464-E468 WeakPolarHBondContact CE-OE1 3.5Å; K464-E468 HydrophobicContact CG-CG 4.45Å; K464-E468 IonicContact NZ-OE1 3.96Å; K464-E468 WeakPolarHBondContact O-CG 3.45Å; K464-E468 PolarHBondContact O-N 3.26Å |
| 465 | E | 64.8 | Low | 61.6 | Low | 96 Ų | 96 | 73.7 Ų | 73.7 | 45% | 0.449 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 175.4 | -174.2 | 177.5 | 178.5 | 0 | 0 | 111 | K246 A461 L462 E468 E469 | K246-E465 IonicContact NZ-OE1 2.69Å; K246-E465 PolarHBondContact NZ-OE1 3.15Å; A461-E465 PolarHBondContact O-N 2.98Å; L462-E465 PolarHBondContact O-N 3.25Å; E465-E468 PolarHBondContact O-N 2.77Å; E465-E469 WeakPolarHBondContact O-CG 3.48Å; E465-E469 PolarHBondContact O-N 3.2Å |
| 466 | I | 58.1 | Low | 62.1 | Low | 44 Ų | 44 | 74.7 Ų | 74.7 | 23% | 0.226 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.3 | -48 | 177.1 | -65.2 | 165.5 | 0 | 0 | 0 | 110.7 | V364 L367 L462 I463 K464 E469 E470 | V364-I466 HydrophobicContact CG2-CG2 3.84Å; L367-I466 HydrophobicContact CD2-CD1 3.95Å; L462-I466 HydrophobicContact CD1-CD1 4.21Å; L462-I466 HydrophobicContact CG-CD1 4.18Å; L462-I466 WeakPolarHBondContact O-CG1 3.17Å; L462-I466 PolarHBondContact O-N 3.43Å; L462-I466 VanDerWaalsContact O-N 3.15Å; I463-I466 PolarHBondContact O-N 3.4Å; K464-I466 VanDerWaalsContact C-N 3.28Å; K464-I466 PolarHBondContact O-N 2.89Å; I466-E469 PolarHBondContact O-N 2.88Å; I466-E470 WeakPolarHBondContact O-CB 3.48Å; I466-E470 PolarHBondContact O-N 3.3Å |
| 467 | Q | 62.9 | Low | 62.3 | Low | 100 Ų | 100 | 74 Ų | 74 | 47% | 0.467 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 177.6 | -72.7 | 171.4 | -9.4 | 0 | 0 | 112.1 | V364 I463 K464 E469 E470 E471 | V364-Q467 HydrophobicContact CG1-CG 4.36Å; I463-Q467 WeakPolarHBondContact O-CG 3.45Å; I463-Q467 PolarHBondContact O-N 3.17Å; K464-Q467 PolarHBondContact O-N 3.42Å; Q467-E469 PolarHBondContact O-N 3.1Å; Q467-E470 PolarHBondContact O-N 2.94Å; Q467-E471 WeakPolarHBondContact O-CG 3.39Å; Q467-E471 PolarHBondContact O-N 3.33Å |
| 468 | E | 66.7 | Low | 62.3 | Low | 110 Ų | 110 | 72.2 Ų | 72.2 | 51% | 0.514 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 179.4 | -72.9 | -176.5 | -169.4 | 0 | 0 | 112.8 | K464 E465 R472 | K464-E468 WeakPolarHBondContact CE-OE1 3.5Å; K464-E468 HydrophobicContact CG-CG 4.45Å; K464-E468 IonicContact NZ-OE1 3.96Å; K464-E468 WeakPolarHBondContact O-CG 3.45Å; K464-E468 PolarHBondContact O-N 3.26Å; E465-E468 PolarHBondContact O-N 2.77Å; E468-R472 WeakPolarHBondContact O-CB 3.38Å; E468-R472 PolarHBondContact O-N 3.32Å |
| 469 | E | 60.7 | Low | 62.6 | Low | 38 Ų | 38 | 71.3 Ų | 71.3 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.4 | -38.4 | 175.2 | -72.4 | -125.4 | 92.7 | 0 | 0 | 113.2 | V242 K246 E465 I466 Q467 R472 R473 | V242-E469 HydrophobicContact CG1-CB 4.28Å; V242-E469 WeakPolarHBondContact CG1-OE2 3.41Å; K246-E469 WeakPolarHBondContact CD-OE2 3.27Å; K246-E469 VanDerWaalsContact CE-OE2 3.3Å; K246-E469 WeakPolarHBondContact CE-OE2 3.46Å; K246-E469 IonicContact NZ-OE1 2.73Å; K246-E469 IonicContact NZ-OE2 3.69Å; K246-E469 PolarHBondContact NZ-OE2 3.22Å; E465-E469 WeakPolarHBondContact O-CG 3.48Å; E465-E469 PolarHBondContact O-N 3.2Å; I466-E469 PolarHBondContact O-N 2.88Å; Q467-E469 PolarHBondContact O-N 3.1Å; E469-R472 WeakPolarHBondContact O-CB 3.14Å; E469-R472 PolarHBondContact O-N 3.07Å; E469-R472 IonicContact OE1-CZ 3.08Å; E469-R472 IonicContact OE1-NE 2.7Å; E469-R472 IonicContact OE1-NH2 2.69Å; E469-R472 PolarHBondContact OE1-NH2 3.14Å; E469-R473 PolarHBondContact O-N 2.93Å |
| 470 | E | 61.8 | Low | 62.6 | Low | 32 Ų | 32 | 72.9 Ų | 72.9 | 15% | 0.15 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -75.1 | -35.3 | 179 | -73.1 | -54.4 | 135.4 | 0 | 0 | 112.9 | I466 Q467 R472 R473 N474 | I466-E470 WeakPolarHBondContact O-CB 3.48Å; I466-E470 PolarHBondContact O-N 3.3Å; Q467-E470 PolarHBondContact O-N 2.94Å; E470-R472 PolarHBondContact O-N 2.92Å; E470-R473 PolarHBondContact O-N 3.42Å; E470-R473 IonicContact OE2-CZ 2.71Å; E470-R473 IonicContact OE2-NE 3.41Å; E470-R473 PolarHBondContact OE2-NE 3.41Å; E470-R473 IonicContact OE2-NH2 2.69Å; E470-R473 PolarHBondContact OE2-NH2 2.92Å; E470-N474 VanDerWaalsContact O-CB 3.28Å; E470-N474 WeakPolarHBondContact O-CB 3.41Å; E470-N474 PolarHBondContact O-N 3.41Å |
| 471 | E | 62.2 | Low | 62.7 | Low | 104 Ų | 104 | 67.4 Ų | 67.4 | 49% | 0.486 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.8 | -41.1 | 166 | -74.6 | -162 | 158.6 | 0 | 0 | 111.2 | Q467 R475 | Q467-E471 WeakPolarHBondContact O-CG 3.39Å; Q467-E471 PolarHBondContact O-N 3.33Å; E471-R475 WeakPolarHBondContact O-CB 3.48Å; E471-R475 VanDerWaalsContact O-CG 3.32Å; E471-R475 WeakPolarHBondContact O-CG 3.47Å; E471-R475 PolarHBondContact O-N 3.27Å; E471-R475 PolarHBondContact O-NE 3.41Å; E471-R475 IonicContact OE2-CZ 3.41Å; E471-R475 IonicContact OE2-NH1 3.36Å; E471-R475 PolarHBondContact OE2-NH1 3.14Å; E471-R475 IonicContact OE2-NH2 3.42Å; E471-R475 PolarHBondContact OE2-NH2 3.5Å |
| 472 | R | 62.9 | Low | 62.7 | Low | 120 Ų | 120 | 69.9 Ų | 69.9 | 45% | 0.453 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 177.9 | -174.5 | -172.4 | 61.3 | 67.5 | 0.4 | 111.3 | E468 E469 E470 V476 | E468-R472 WeakPolarHBondContact O-CB 3.38Å; E468-R472 PolarHBondContact O-N 3.32Å; E469-R472 WeakPolarHBondContact O-CB 3.14Å; E469-R472 PolarHBondContact O-N 3.07Å; E469-R472 IonicContact OE1-CZ 3.08Å; E469-R472 IonicContact OE1-NE 2.7Å; E469-R472 IonicContact OE1-NH2 2.69Å; E469-R472 PolarHBondContact OE1-NH2 3.14Å; E470-R472 PolarHBondContact O-N 2.92Å; R472-V476 WeakPolarHBondContact O-CG2 3.34Å; R472-V476 PolarHBondContact O-N 2.78Å; R472-V476 VanDerWaalsContact O-N 3.17Å |
| 473 | R | 70 | Confident | 63.2 | Low | 30 Ų | 30 | 73.1 Ų | 73.1 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -50 | 174.1 | 178.6 | -83.2 | -57.1 | 160 | 5.2 | 111.1 | E353 V357 E469 E470 R475 V476 R477 | E353-R473 IonicContact OE1-CZ 3.84Å; E353-R473 IonicContact OE1-NH1 2.73Å; E353-R473 PolarHBondContact OE1-NH1 3.05Å; V357-R473 VanDerWaalsContact CG2-NH1 3.33Å; E469-R473 PolarHBondContact O-N 2.93Å; E470-R473 PolarHBondContact O-N 3.42Å; E470-R473 IonicContact OE2-CZ 2.71Å; E470-R473 IonicContact OE2-NE 3.41Å; E470-R473 PolarHBondContact OE2-NE 3.41Å; E470-R473 IonicContact OE2-NH2 2.69Å; E470-R473 PolarHBondContact OE2-NH2 2.92Å; R473-R475 PolarHBondContact O-N 2.94Å; R473-V476 PolarHBondContact O-N 3.43Å; R473-R477 WeakPolarHBondContact O-CB 3.2Å; R473-R477 PolarHBondContact O-N 3.11Å |
| 474 | N | 68.8 | Low | 63.7 | Low | 36 Ų | 36 | 75.5 Ų | 75.5 | 19% | 0.193 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.3 | -48.5 | 178.1 | -177.5 | 8.2 | 0 | 0 | 0 | 111.6 | V357 E470 V476 R477 I478 | V357-N474 HydrophobicContact CG2-CB 4.13Å; V357-N474 WeakPolarHBondContact CG2-ND2 3.36Å; E470-N474 VanDerWaalsContact O-CB 3.28Å; E470-N474 WeakPolarHBondContact O-CB 3.41Å; E470-N474 PolarHBondContact O-N 3.41Å; N474-V476 VanDerWaalsContact C-N 3.32Å; N474-V476 PolarHBondContact O-N 2.78Å; N474-R477 PolarHBondContact O-N 2.98Å; N474-R477 VanDerWaalsContact O-N 3.17Å; N474-I478 WeakPolarHBondContact O-CG1 3.28Å; N474-I478 PolarHBondContact O-N 2.89Å; N474-I478 WeakPolarHBondContact OD1-CD1 3.49Å |
| 475 | R | 58.7 | Low | 63.8 | Low | 145 Ų | 145 | 72.4 Ų | 72.4 | 55% | 0.547 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.1 | -39 | 176.5 | -76.9 | -175.7 | -78.3 | -109.1 | 5.5 | 113.2 | E471 R473 S479 | E471-R475 WeakPolarHBondContact O-CB 3.48Å; E471-R475 VanDerWaalsContact O-CG 3.32Å; E471-R475 WeakPolarHBondContact O-CG 3.47Å; E471-R475 PolarHBondContact O-N 3.27Å; E471-R475 PolarHBondContact O-NE 3.41Å; E471-R475 IonicContact OE2-CZ 3.41Å; E471-R475 IonicContact OE2-NH1 3.36Å; E471-R475 PolarHBondContact OE2-NH1 3.14Å; E471-R475 IonicContact OE2-NH2 3.42Å; E471-R475 PolarHBondContact OE2-NH2 3.5Å; R473-R475 PolarHBondContact O-N 2.94Å; R475-S479 WeakPolarHBondContact O-CB 3.47Å; R475-S479 PolarHBondContact O-N 3.49Å |
| 476 | V | 62.3 | Low | 64 | Low | 72 Ų | 72 | 73.3 Ų | 73.3 | 44% | 0.436 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.1 | -47.6 | 174.2 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | R472 R473 N474 I478 S479 D480 | R472-V476 WeakPolarHBondContact O-CG2 3.34Å; R472-V476 PolarHBondContact O-N 2.78Å; R472-V476 VanDerWaalsContact O-N 3.17Å; R473-V476 PolarHBondContact O-N 3.43Å; N474-V476 VanDerWaalsContact C-N 3.32Å; N474-V476 PolarHBondContact O-N 2.78Å; V476-I478 PolarHBondContact O-N 3.23Å; V476-S479 WeakPolarHBondContact O-CA 3.3Å; V476-S479 WeakPolarHBondContact O-CB 3.41Å; V476-S479 PolarHBondContact O-N 2.94Å; V476-S479 VanDerWaalsContact O-N 3.1Å; V476-D480 PolarHBondContact O-N 3.48Å |
| 477 | R | 62.8 | Low | 64.7 | Low | 42 Ų | 42 | 77.9 Ų | 77.9 | 16% | 0.158 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.3 | -48.8 | 179.6 | -97 | -74.4 | -170.8 | -105.6 | -3.1 | 113.1 | I238 Y239 E353 R473 N474 S479 D480 I481 | I238-R477 PolarHBondContact O-NH1 3.37Å; I238-R477 PolarHBondContact O-NH2 3.05Å; Y239-R477 VanDerWaalsContact CE1-NH2 3.27Å; Y239-R477 VanDerWaalsContact CZ-NH2 3.28Å; E353-R477 HydrophobicContact CG-CB 4.32Å; E353-R477 WeakPolarHBondContact OE1-CB 3.26Å; E353-R477 VanDerWaalsContact OE1-CG 3.31Å; E353-R477 WeakPolarHBondContact OE1-CG 3.4Å; R473-R477 WeakPolarHBondContact O-CB 3.2Å; R473-R477 PolarHBondContact O-N 3.11Å; N474-R477 PolarHBondContact O-N 2.98Å; N474-R477 VanDerWaalsContact O-N 3.17Å; R477-S479 VanDerWaalsContact C-N 3.3Å; R477-S479 PolarHBondContact O-N 3.38Å; R477-D480 PolarHBondContact O-N 3.39Å; R477-I481 WeakPolarHBondContact O-CB 3.27Å; R477-I481 WeakPolarHBondContact O-CD1 3.26Å; R477-I481 VanDerWaalsContact O-CG1 3.27Å; R477-I481 WeakPolarHBondContact O-CG1 3.46Å; R477-I481 PolarHBondContact O-N 2.68Å |
| 478 | I | 60.8 | Low | 65 | Low | 64 Ų | 64 | 73.2 Ų | 73.2 | 33% | 0.328 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.1 | -46.2 | 174.9 | -70 | 175.2 | 0 | 0 | 0 | 109.9 | N474 V476 D480 I481 Y482 | N474-I478 WeakPolarHBondContact O-CG1 3.28Å; N474-I478 PolarHBondContact O-N 2.89Å; N474-I478 WeakPolarHBondContact OD1-CD1 3.49Å; V476-I478 PolarHBondContact O-N 3.23Å; I478-D480 PolarHBondContact O-N 3.46Å; I478-I481 PolarHBondContact O-N 2.75Å; I478-Y482 HydrophobicContact CG2-CD2 3.71Å; I478-Y482 HydrophobicContact CG2-CE2 3.68Å; I478-Y482 VanDerWaalsContact O-CD2 3.3Å; I478-Y482 WeakPolarHBondContact O-CD2 3.47Å; I478-Y482 PolarHBondContact O-N 2.78Å |
| 479 | S | 59.9 | Low | 65.4 | Low | 50 Ų | 50 | 69.1 Ų | 69.1 | 35% | 0.35 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 178.3 | -172.4 | 0 | 0 | 0 | 0 | 113.4 | R475 V476 R477 R483 | R475-S479 WeakPolarHBondContact O-CB 3.47Å; R475-S479 PolarHBondContact O-N 3.49Å; V476-S479 WeakPolarHBondContact O-CA 3.3Å; V476-S479 WeakPolarHBondContact O-CB 3.41Å; V476-S479 PolarHBondContact O-N 2.94Å; V476-S479 VanDerWaalsContact O-N 3.1Å; R477-S479 VanDerWaalsContact C-N 3.3Å; R477-S479 PolarHBondContact O-N 3.38Å; S479-R483 PolarHBondContact O-N 3.04Å; S479-R483 PolarHBondContact OG-NE 3.21Å; S479-R483 PolarHBondContact OG-NH2 2.95Å |
| 480 | D | 62.6 | Low | 66 | Low | 57 Ų | 57 | 73.1 Ų | 73.1 | 31% | 0.305 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68 | -39.7 | 175.7 | -67.2 | -20.4 | 0 | 0 | 0 | 111.6 | V476 R477 I478 R483 Y484 | V476-D480 PolarHBondContact O-N 3.48Å; R477-D480 PolarHBondContact O-N 3.39Å; I478-D480 PolarHBondContact O-N 3.46Å; D480-R483 PolarHBondContact O-N 3.12Å; D480-R483 IonicContact OD1-CZ 2.68Å; D480-R483 IonicContact OD1-NH1 2.69Å; D480-R483 PolarHBondContact OD1-NH1 3.36Å; D480-R483 IonicContact OD1-NH2 3.53Å; D480-R483 PolarHBondContact OD1-NH2 2.73Å; D480-Y484 PolarHBondContact O-N 3.37Å |
| 481 | I | 65.3 | Low | 66.4 | Low | 19 Ų | 19 | 72.9 Ų | 72.9 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 175.6 | -69.6 | 162.8 | 0 | 0 | 0 | 110.5 | F346 L349 L350 E353 R477 I478 Y484 Y485 | F346-I481 HydrophobicContact CD2-CG2 3.83Å; F346-I481 HydrophobicContact CE2-CG2 3.49Å; F346-I481 VanDerWaalsContact CE2-CG2 3.49Å; F346-I481 WeakPolarHBondContact CE2-O 3.31Å; F346-I481 HydrophobicContact CZ-CG2 4.39Å; L349-I481 HydrophobicContact CB-CG2 4.03Å; L349-I481 HydrophobicContact CD1-CG2 4.42Å; L350-I481 HydrophobicContact CD2-CB 4.49Å; L350-I481 HydrophobicContact CD2-CG2 3.84Å; L350-I481 HydrophobicContact CG-CG2 4.21Å; E353-I481 HydrophobicContact CB-CD1 4.26Å; E353-I481 HydrophobicContact CG-CD1 4.5Å; R477-I481 WeakPolarHBondContact O-CB 3.27Å; R477-I481 WeakPolarHBondContact O-CD1 3.26Å; R477-I481 VanDerWaalsContact O-CG1 3.27Å; R477-I481 WeakPolarHBondContact O-CG1 3.46Å; R477-I481 PolarHBondContact O-N 2.68Å; I478-I481 PolarHBondContact O-N 2.75Å; I481-Y484 PolarHBondContact O-N 2.69Å; I481-Y485 PolarHBondContact O-N 2.79Å; I481-Y485 VanDerWaalsContact O-N 3.09Å |
| 482 | Y | 62 | Low | 67 | Low | 114 Ų | 114 | 68 Ų | 68 | 45% | 0.447 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 172.5 | -87.1 | -80.4 | 0 | 0 | 0 | 112.4 | F346 I478 Y484 Y485 E486 | F346-Y482 HydrophobicContact CE1-CD1 4.34Å; F346-Y482 AromaticContact CE1-CE1 3.87Å; F346-Y482 HydrophobicContact CE1-CE1 3.87Å; F346-Y482 HydrophobicContact CE2-CD1 4.19Å; F346-Y482 HydrophobicContact CE2-CE1 4.49Å; F346-Y482 HydrophobicContact CE2-CG 4.24Å; F346-Y482 AromaticContact CZ-CD1 3.5Å; F346-Y482 HydrophobicContact CZ-CD1 3.5Å; F346-Y482 HydrophobicContact CZ-CD2 4.04Å; F346-Y482 AromaticContact CZ-CE1 3.41Å; F346-Y482 HydrophobicContact CZ-CE1 3.41Å; F346-Y482 VanDerWaalsContact CZ-CE1 3.41Å; F346-Y482 AromaticContact CZ-CE2 3.95Å; F346-Y482 HydrophobicContact CZ-CE2 3.95Å; F346-Y482 AromaticContact CZ-CG 3.82Å; F346-Y482 HydrophobicContact CZ-CG 3.82Å; F346-Y482 AromaticContact CZ-CZ 3.64Å; I478-Y482 HydrophobicContact CG2-CD2 3.71Å; I478-Y482 HydrophobicContact CG2-CE2 3.68Å; I478-Y482 VanDerWaalsContact O-CD2 3.3Å; I478-Y482 WeakPolarHBondContact O-CD2 3.47Å; I478-Y482 PolarHBondContact O-N 2.78Å; Y482-Y484 VanDerWaalsContact C-N 3.29Å; Y482-Y484 PolarHBondContact O-N 3.23Å; Y482-Y485 WeakPolarHBondContact O-CB 3.24Å; Y482-Y485 PolarHBondContact O-N 3.39Å; Y482-Y485 VanDerWaalsContact O-N 3.12Å; Y482-E486 PolarHBondContact O-N 2.96Å |
| 483 | R | 65.5 | Low | 67.6 | Low | 125 Ų | 125 | 67.8 Ų | 67.8 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -33.3 | 177.4 | -80.4 | -177.2 | -95.7 | 114.3 | 6.6 | 113 | S479 D480 F487 | S479-R483 PolarHBondContact O-N 3.04Å; S479-R483 PolarHBondContact OG-NE 3.21Å; S479-R483 PolarHBondContact OG-NH2 2.95Å; D480-R483 PolarHBondContact O-N 3.12Å; D480-R483 IonicContact OD1-CZ 2.68Å; D480-R483 IonicContact OD1-NH1 2.69Å; D480-R483 PolarHBondContact OD1-NH1 3.36Å; D480-R483 IonicContact OD1-NH2 3.53Å; D480-R483 PolarHBondContact OD1-NH2 2.73Å; R483-F487 WeakPolarHBondContact O-CB 3.09Å; R483-F487 PolarHBondContact O-N 3.29Å |
| 484 | Y | 70.4 | Confident | 67.8 | Low | 67 Ų | 67 | 73.4 Ų | 73.4 | 26% | 0.263 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.3 | -35.9 | 173.5 | -174.4 | -121.3 | 0 | 0 | 0 | 112.3 | L308 F345 D480 I481 Y482 F487 L488 | L308-Y484 HydrophobicContact CD2-CD1 4.28Å; L308-Y484 HydrophobicContact CD2-CE1 3.62Å; F345-Y484 HydrophobicContact CE1-CD1 4.23Å; F345-Y484 AromaticContact CE1-CE1 3.82Å; F345-Y484 HydrophobicContact CE1-CE1 3.82Å; F345-Y484 AromaticContact CZ-CE1 3.91Å; F345-Y484 HydrophobicContact CZ-CE1 3.91Å; D480-Y484 PolarHBondContact O-N 3.37Å; I481-Y484 PolarHBondContact O-N 2.69Å; Y482-Y484 VanDerWaalsContact C-N 3.29Å; Y482-Y484 PolarHBondContact O-N 3.23Å; Y484-F487 HydrophobicContact CD2-CD1 4.26Å; Y484-F487 HydrophobicContact CE2-CD1 4.23Å; Y484-F487 PolarHBondContact O-N 3.06Å; Y484-L488 HydrophobicContact CD1-CD1 3.88Å; Y484-L488 HydrophobicContact CE1-CD1 3.54Å; Y484-L488 HydrophobicContact CE1-CG 4.28Å; Y484-L488 HydrophobicContact CE2-CD1 4.44Å; Y484-L488 HydrophobicContact CE2-CG 4.31Å; Y484-L488 HydrophobicContact CG-CD1 4.46Å; Y484-L488 WeakPolarHBondContact O-CG 3.01Å; Y484-L488 PolarHBondContact O-N 3.35Å |
| 485 | Y | 70.3 | Confident | 67.8 | Low | 55 Ų | 55 | 74.1 Ų | 74.1 | 22% | 0.216 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65 | -44.2 | 173.1 | 177.6 | -109.2 | 0 | 0 | 0 | 112.6 | T342 A343 F346 I481 Y482 F487 L488 L489 | T342-Y485 HydrophobicContact CG2-CD2 3.93Å; T342-Y485 HydrophobicContact CG2-CE2 3.91Å; A343-Y485 HydrophobicContact CB-CE2 4.32Å; F346-Y485 HydrophobicContact CB-CD2 3.62Å; F346-Y485 HydrophobicContact CB-CE2 3.98Å; F346-Y485 HydrophobicContact CB-CG 4.28Å; F346-Y485 HydrophobicContact CD1-CD2 4.45Å; F346-Y485 HydrophobicContact CD1-CG 4.48Å; F346-Y485 VanDerWaalsContact CD2-CB 3.46Å; F346-Y485 HydrophobicContact CD2-CD1 4.49Å; F346-Y485 AromaticContact CD2-CD2 3.93Å; F346-Y485 HydrophobicContact CD2-CD2 3.93Å; F346-Y485 AromaticContact CD2-CG 3.72Å; F346-Y485 HydrophobicContact CD2-CG 3.72Å; F346-Y485 HydrophobicContact CE2-CG 4.09Å; F346-Y485 AromaticContact CG-CD2 3.76Å; F346-Y485 HydrophobicContact CG-CD2 3.76Å; F346-Y485 HydrophobicContact CG-CE2 4.26Å; F346-Y485 AromaticContact CG-CG 3.92Å; F346-Y485 HydrophobicContact CG-CG 3.92Å; I481-Y485 PolarHBondContact O-N 2.79Å; I481-Y485 VanDerWaalsContact O-N 3.09Å; Y482-Y485 WeakPolarHBondContact O-CB 3.24Å; Y482-Y485 PolarHBondContact O-N 3.39Å; Y482-Y485 VanDerWaalsContact O-N 3.12Å; Y485-F487 VanDerWaalsContact C-N 3.33Å; Y485-F487 PolarHBondContact O-N 3.47Å; Y485-L488 PolarHBondContact O-N 2.99Å; Y485-L489 HydrophobicContact CD1-CD1 4.12Å; Y485-L489 HydrophobicContact CE1-CD1 3.55Å; Y485-L489 HydrophobicContact CE1-CG 4.35Å; Y485-L489 HydrophobicContact CE2-CD1 4.33Å; Y485-L489 HydrophobicContact CE2-CG 4.36Å; Y485-L489 PolarHBondContact O-N 3.26Å |
| 486 | E | 69.4 | Low | 67.7 | Low | 116 Ų | 116 | 72 Ų | 72 | 54% | 0.542 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 172.6 | -69.4 | 175 | 174.5 | 0 | 0 | 112 | Y482 L488 L489 K490 | Y482-E486 PolarHBondContact O-N 2.96Å; E486-L488 VanDerWaalsContact C-N 3.34Å; E486-L488 PolarHBondContact O-N 3.42Å; E486-L489 PolarHBondContact O-N 2.98Å; E486-K490 PolarHBondContact O-N 3Å |
| 487 | F | 72.2 | Confident | 68 | Low | 139 Ų | 139 | 72 Ų | 72 | 61% | 0.61 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.5 | -40.7 | 174.4 | 173.9 | -96 | 0 | 0 | 0 | 112.5 | R483 Y484 Y485 P491 | R483-F487 WeakPolarHBondContact O-CB 3.09Å; R483-F487 PolarHBondContact O-N 3.29Å; Y484-F487 HydrophobicContact CD2-CD1 4.26Å; Y484-F487 HydrophobicContact CE2-CD1 4.23Å; Y484-F487 PolarHBondContact O-N 3.06Å; Y485-F487 VanDerWaalsContact C-N 3.33Å; Y485-F487 PolarHBondContact O-N 3.47Å; F487-P491 WeakPolarHBondContact O-CD 3.32Å |
| 488 | L | 69.4 | Low | 68.2 | Low | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.2 | -27.6 | 175.2 | -72.2 | 169 | 0 | 0 | 0 | 113 | F311 Y315 T342 F345 Y484 Y485 E486 | F311-L488 HydrophobicContact CD1-CD1 4.5Å; F311-L488 HydrophobicContact CE1-CD1 3.81Å; F311-L488 HydrophobicContact CE1-CD2 4.27Å; Y315-L488 HydrophobicContact CD1-CD2 3.82Å; Y315-L488 HydrophobicContact CE1-CD2 3.58Å; Y315-L488 HydrophobicContact CE2-CD2 4.37Å; Y315-L488 HydrophobicContact CG-CD2 4.31Å; Y315-L488 PolarHBondContact OH-O 3.5Å; T342-L488 HydrophobicContact CG2-CB 3.9Å; T342-L488 HydrophobicContact CG2-CD1 4.26Å; F345-L488 HydrophobicContact CD1-CD1 4.21Å; F345-L488 HydrophobicContact CE1-CD1 3.77Å; Y484-L488 HydrophobicContact CD1-CD1 3.88Å; Y484-L488 HydrophobicContact CE1-CD1 3.54Å; Y484-L488 HydrophobicContact CE1-CG 4.28Å; Y484-L488 HydrophobicContact CE2-CD1 4.44Å; Y484-L488 HydrophobicContact CE2-CG 4.31Å; Y484-L488 HydrophobicContact CG-CD1 4.46Å; Y484-L488 WeakPolarHBondContact O-CG 3.01Å; Y484-L488 PolarHBondContact O-N 3.35Å; Y485-L488 PolarHBondContact O-N 2.99Å; E486-L488 VanDerWaalsContact C-N 3.34Å; E486-L488 PolarHBondContact O-N 3.42Å |
| 489 | L | 74.9 | Confident | 68.6 | Low | 24 Ų | 24 | 74.1 Ų | 74.1 | 13% | 0.126 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -75.6 | -33.9 | 177 | -74.8 | 179.8 | 0 | 0 | 0 | 113.3 | R339 Y485 E486 V492 E493 | R339-L489 HydrophobicContact CG-CD2 4.37Å; Y485-L489 HydrophobicContact CD1-CD1 4.12Å; Y485-L489 HydrophobicContact CE1-CD1 3.55Å; Y485-L489 HydrophobicContact CE1-CG 4.35Å; Y485-L489 HydrophobicContact CE2-CD1 4.33Å; Y485-L489 HydrophobicContact CE2-CG 4.36Å; Y485-L489 PolarHBondContact O-N 3.26Å; E486-L489 PolarHBondContact O-N 2.98Å; L489-V492 CarbonylContact O-C 3.42Å; L489-V492 VanDerWaalsContact O-CA 3.32Å; L489-V492 WeakPolarHBondContact O-CA 3.38Å; L489-V492 WeakPolarHBondContact O-CB 3.45Å; L489-V492 PolarHBondContact O-N 3.2Å; L489-E493 PolarHBondContact O-N 3.14Å |
| 490 | K | 74.9 | Confident | 69.2 | Low | 121 Ų | 121 | 75.5 Ų | 75.5 | 53% | 0.526 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -49 | -51.4 | -175.8 | -78.8 | -179.8 | 180 | -176.4 | 0 | 115.2 | E486 V492 E493 E494 | E486-K490 PolarHBondContact O-N 3Å; K490-V492 PolarHBondContact O-N 3.14Å; K490-V492 VanDerWaalsContact O-N 3.13Å; K490-E493 PolarHBondContact O-N 2.83Å; K490-E494 WeakPolarHBondContact O-CG 3.34Å; K490-E494 PolarHBondContact O-N 3.22Å |
| 491 | P | 69.3 | Low | 69.6 | Low | 27 Ų | 27 | 76.6 Ų | 76.6 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.4 | -23.3 | 177.9 | -21.9 | 34.2 | 0 | 0 | 0 | 113.5 | L319 F487 M495 | L319-P491 HydrophobicContact CD2-CB 4.3Å; F487-P491 WeakPolarHBondContact O-CD 3.32Å; P491-M495 WeakPolarHBondContact O-CE 3.49Å; P491-M495 WeakPolarHBondContact O-CG 3.44Å |
| 492 | V | 74.6 | Confident | 69.9 | Low | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -91.5 | -11.8 | -179.2 | -161.8 | 0 | 0 | 0 | 0 | 111.6 | Y315 L319 I335 L338 R339 L489 K490 | Y315-V492 HydrophobicContact CE2-CG2 4.41Å; Y315-V492 WeakPolarHBondContact OH-CG2 3.17Å; L319-V492 HydrophobicContact CD2-CG2 4.35Å; I335-V492 HydrophobicContact CG2-CG1 3.85Å; L338-V492 HydrophobicContact CD2-CG1 4.3Å; L338-V492 HydrophobicContact CD2-CG2 3.74Å; L338-V492 HydrophobicContact CG-CG2 4.34Å; R339-V492 HydrophobicContact CG-CG1 3.6Å; R339-V492 PolarHBondContact NH2-O 3.13Å; L489-V492 CarbonylContact O-C 3.42Å; L489-V492 VanDerWaalsContact O-CA 3.32Å; L489-V492 WeakPolarHBondContact O-CA 3.38Å; L489-V492 WeakPolarHBondContact O-CB 3.45Å; L489-V492 PolarHBondContact O-N 3.2Å; K490-V492 PolarHBondContact O-N 3.14Å; K490-V492 VanDerWaalsContact O-N 3.13Å |
| 493 | E | 74.8 | Confident | 70.4 | Confident | 116 Ų | 116 | 78.1 Ų | 78.1 | 54% | 0.542 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -92.7 | -30.9 | 168 | -67.8 | 173.2 | 173.6 | 0 | 0 | 111.1 | L489 K490 M495 | L489-E493 PolarHBondContact O-N 3.14Å; K490-E493 PolarHBondContact O-N 2.83Å; E493-M495 PolarHBondContact O-N 2.92Å |
| 494 | E | 74.8 | Confident | 70.8 | Confident | 149 Ų | 149 | 74.5 Ų | 74.5 | 70% | 0.696 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -1.2 | 173.4 | -71.6 | 169.8 | -174.9 | 0 | 0 | 114.3 | K490 | K490-E494 WeakPolarHBondContact O-CG 3.34Å; K490-E494 PolarHBondContact O-N 3.22Å |
| 495 | M | 68.2 | Low | 70.8 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 25% | 0.246 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | 5.8 | -174.4 | -69.2 | -165.4 | -76.4 | 0 | 0 | 115.4 | L319 I322 R323 I335 P491 E493 | L319-M495 HydrophobicContact CD2-CE 3.57Å; I322-M495 HydrophobicContact CG2-SD 4.48Å; R323-M495 HydrophobicContact CG-CE 4.31Å; R323-M495 HydrophobicContact CG-SD 3.49Å; R323-M495 WeakPolarHBondContact CG-SD 3.5Å; R323-M495 PolarHBondContact NE-SD 2.71Å; R323-M495 VanDerWaalsContact NE-SD 3.42Å; I335-M495 HydrophobicContact CD1-CB 4.17Å; I335-M495 WeakPolarHBondContact CD1-O 3.35Å; P491-M495 WeakPolarHBondContact O-CE 3.49Å; P491-M495 WeakPolarHBondContact O-CG 3.44Å; E493-M495 PolarHBondContact O-N 2.92Å |
| 496 | D | 57.2 | Low | 70.9 | Confident | 100 Ų | 100 | 76.9 Ų | 76.9 | 54% | 0.535 | 37% | 0.365 | S | S | . | . | trans | -119.9 | 0 | -169.8 | -173.5 | 46.3 | 0 | 0 | 0 | 115.3 | R332 I335 R339 | R332-D496 IonicContact NE-OD1 3.91Å; R332-D496 PolarHBondContact NH2-O 3.05Å; I335-D496 HydrophobicContact CD1-CB 4.42Å; I335-D496 HydrophobicContact CG2-CB 4.09Å; R339-D496 IonicContact CZ-OD2 2.79Å; R339-D496 IonicContact NH1-OD2 3.17Å; R339-D496 PolarHBondContact NH1-OD2 3.06Å; R339-D496 VanDerWaalsContact NH2-CG 3.34Å; R339-D496 IonicContact NH2-OD2 3.9Å; R339-D496 PolarHBondContact NH2-OD2 3.42Å |
Retrieved 496 of 496 residues in 1277.2 ms
(Link to these results)