| 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 | 45.1 | Very low | 62.3 | Low | 227 Ų | 227 | 126.3 Ų | 126.3 | 100% | 1.118 | 67% | 0.667 | S | S | * | * | 0 | 107.7 | 0 | -67.7 | -154 | -79.6 | 0 | 0 | 107.1 | N3 | M1-N3 PolarHBondContact O-N 2.97Å; M1-N3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | S | 51.5 | Low | 63 | Low | 119 Ų | 119 | 124.1 Ų | 124.1 | 83% | 0.832 | 66% | 0.663 | S | S | * | * | trans | -76 | 100.2 | 175.4 | -154.6 | 0 | 0 | 0 | 0 | 106 | K4 | S2-K4 VanDerWaalsContact C-N 3.27Å; S2-K4 PolarHBondContact O-N 3.49Å | ||
| 3 | N | 55 | Low | 63.5 | Low | 127 Ų | 127 | 117.7 Ų | 117.7 | 68% | 0.679 | 63% | 0.634 | S | S | * | * | trans | -60.9 | 97.8 | 171.2 | -74.5 | -15.8 | 0 | 0 | 0 | 106.2 | M1 L5 | M1-N3 PolarHBondContact O-N 2.97Å; M1-N3 VanDerWaalsContact O-N 3.13Å; N3-L5 VanDerWaalsContact C-N 3.35Å; N3-L5 PolarHBondContact O-N 3.09Å | ||
| 4 | K | 61 | Low | 63.7 | Low | 185 Ų | 185 | 114.2 Ų | 114.2 | 80% | 0.804 | 61% | 0.608 | S | S | * | * | trans | -62.9 | 104.4 | 173 | -83.8 | -176.9 | 174.5 | -179 | 0 | 105.7 | S2 F6 | S2-K4 VanDerWaalsContact C-N 3.27Å; S2-K4 PolarHBondContact O-N 3.49Å; K4-F6 PolarHBondContact O-N 3.03Å | ||
| 5 | L | 62.4 | Low | 63.9 | Low | 114 Ų | 114 | 115.6 Ų | 115.6 | 60% | 0.597 | 62% | 0.615 | S | S | * | * | trans | -66.1 | 117.2 | 169.6 | -66.5 | 168.9 | 0 | 0 | 0 | 106.3 | N3 K9 | N3-L5 VanDerWaalsContact C-N 3.35Å; N3-L5 PolarHBondContact O-N 3.09Å; L5-K9 CarbonylContact C-O 3.54Å; L5-K9 VanDerWaalsContact CA-O 3.25Å; L5-K9 WeakPolarHBondContact CA-O 3.39Å | ||
| 6 | F | 57.3 | Low | 64 | Low | 122 Ų | 122 | 117.5 Ų | 117.5 | 54% | 0.535 | 63% | 0.626 | S | S | . | * | B | Isolated β-bridge | trans | -91.8 | 122.1 | 170.9 | -158.6 | -107 | 0 | 0 | 0 | 106 | K4 G8 K9 L11 Y14 | K4-F6 PolarHBondContact O-N 3.03Å; F6-G8 PolarHBondContact O-N 3.21Å; F6-K9 PolarHBondContact N-O 3.19Å; F6-K9 PolarHBondContact O-N 2.99Å; F6-L11 HydrophobicContact CB-CD1 4.2Å; F6-Y14 HydrophobicContact CB-CE2 4.05Å; F6-Y14 HydrophobicContact CD1-CE2 4.48Å; F6-Y14 WeakPolarHBondContact O-CE2 3.23Å; F6-Y14 PolarHBondContact O-OH 2.89Å |
| 7 | F | 68 | Low | 64.2 | Low | 183 Ų | 183 | 114.5 Ų | 114.5 | 80% | 0.803 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 43.7 | 39.7 | -172.6 | -70.1 | -83.2 | 0 | 0 | 0 | 115.2 | K9 | F7-K9 VanDerWaalsContact C-N 3.28Å; F7-K9 PolarHBondContact O-N 3.35Å |
| 8 | G | 73.8 | Confident | 64.6 | Low | 62 Ų | 62 | 113.7 Ų | 113.7 | 64% | 0.639 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.2 | -1.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | F6 | F6-G8 PolarHBondContact O-N 3.21Š|
| 9 | K | 71.7 | Confident | 65 | Low | 97 Ų | 97 | 114.1 Ų | 114.1 | 42% | 0.422 | 60% | 0.604 | S | S | . | * | B | Isolated β-bridge | trans | -109.6 | 153.9 | 174.4 | -69.7 | -171.4 | -174.5 | -178.4 | 0 | 111.5 | L5 F6 F7 S13 Y14 E17 | L5-K9 CarbonylContact C-O 3.54Å; L5-K9 VanDerWaalsContact CA-O 3.25Å; L5-K9 WeakPolarHBondContact CA-O 3.39Å; F6-K9 PolarHBondContact N-O 3.19Å; F6-K9 PolarHBondContact O-N 2.99Å; F7-K9 VanDerWaalsContact C-N 3.28Å; F7-K9 PolarHBondContact O-N 3.35Å; K9-S13 WeakPolarHBondContact CB-OG 3.41Å; K9-Y14 HydrophobicContact CB-CE2 3.67Å; K9-E17 IonicContact NZ-OE1 3.13Å; K9-E17 PolarHBondContact NZ-OE1 2.99Å |
| 10 | A | 71 | Confident | 65.6 | Low | 36 Ų | 36 | 114.3 Ų | 114.3 | 30% | 0.298 | 61% | 0.606 | S | S | . | * | trans | -69.5 | 144.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | T12 S13 | A10-T12 PolarHBondContact O-N 3.45Å; A10-T12 VanDerWaalsContact O-N 3.12Å; A10-S13 PolarHBondContact O-N 3.42Å; A10-S13 PolarHBondContact O-OG 2.93Å | ||
| 11 | L | 68 | Low | 66.3 | Low | 117 Ų | 117 | 113.8 Ų | 113.8 | 61% | 0.613 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -55.3 | -36.7 | -177.5 | -154.3 | 76.1 | 0 | 0 | 0 | 112.3 | F6 S13 Y14 | F6-L11 HydrophobicContact CB-CD1 4.2Å; L11-S13 VanDerWaalsContact C-N 3.25Å; L11-S13 PolarHBondContact O-N 3.35Å; L11-Y14 PolarHBondContact O-N 3.46Å; L11-Y14 VanDerWaalsContact O-N 3.14Å |
| 12 | T | 71.3 | Confident | 67.9 | Low | 100 Ų | 100 | 107.2 Ų | 107.2 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -64.8 | -22.3 | 178.3 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | A10 Y14 D15 | A10-T12 PolarHBondContact O-N 3.45Å; A10-T12 VanDerWaalsContact O-N 3.12Å; T12-Y14 VanDerWaalsContact C-N 3.27Å; T12-D15 PolarHBondContact O-N 3.1Å |
| 13 | S | 68.9 | Low | 69.1 | Low | 41 Ų | 41 | 104.5 Ų | 104.5 | 29% | 0.287 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -79.8 | -11.6 | 177 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | K9 A10 L11 | K9-S13 WeakPolarHBondContact CB-OG 3.41Å; A10-S13 PolarHBondContact O-N 3.42Å; A10-S13 PolarHBondContact O-OG 2.93Å; L11-S13 VanDerWaalsContact C-N 3.25Å; L11-S13 PolarHBondContact O-N 3.35Å |
| 14 | Y | 66.2 | Low | 70.3 | Confident | 69 Ų | 69 | 102.9 Ų | 102.9 | 27% | 0.271 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -20.5 | 172.4 | -68.8 | -79.5 | 0 | 0 | 0 | 112.3 | F6 K9 L11 T12 D16 E17 | F6-Y14 HydrophobicContact CB-CE2 4.05Å; F6-Y14 HydrophobicContact CD1-CE2 4.48Å; F6-Y14 WeakPolarHBondContact O-CE2 3.23Å; F6-Y14 PolarHBondContact O-OH 2.89Å; K9-Y14 HydrophobicContact CB-CE2 3.67Å; L11-Y14 PolarHBondContact O-N 3.46Å; L11-Y14 VanDerWaalsContact O-N 3.14Å; T12-Y14 VanDerWaalsContact C-N 3.27Å; Y14-D16 PolarHBondContact O-N 2.97Å; Y14-E17 PolarHBondContact O-N 2.82Å |
| 15 | D | 67.5 | Low | 71.5 | Confident | 135 Ų | 135 | 101 Ų | 101 | 72% | 0.722 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25 | 174.2 | -67.5 | -29.4 | 0 | 0 | 0 | 111.6 | T12 | T12-D15 PolarHBondContact O-N 3.1Š|
| 16 | D | 65.4 | Low | 72.6 | Confident | 146 Ų | 146 | 98.3 Ų | 98.3 | 78% | 0.781 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -6.2 | 178.7 | -64.4 | -36.2 | 0 | 0 | 0 | 113.4 | Y14 | Y14-D16 PolarHBondContact O-N 2.97Š|
| 17 | E | 67.1 | Low | 74.1 | Confident | 67 Ų | 67 | 95.7 Ų | 95.7 | 31% | 0.313 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -78.2 | 126.9 | 175.8 | -67.4 | -158.8 | 179.7 | 0 | 0 | 109.6 | K9 Y14 I19 L22 | K9-E17 IonicContact NZ-OE1 3.13Å; K9-E17 PolarHBondContact NZ-OE1 2.99Å; Y14-E17 PolarHBondContact O-N 2.82Å; E17-I19 PolarHBondContact O-N 2.62Å; E17-L22 HydrophobicContact CB-CD1 4.19Å |
| 18 | D | 71.2 | Confident | 74.7 | Confident | 100 Ų | 100 | 92.2 Ų | 92.2 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | trans | -66.8 | 102 | -176.8 | -156.8 | -16 | 0 | 0 | 0 | 109.4 | D20 E21 L22 | D18-D20 PolarHBondContact O-N 3.28Å; D18-D20 VanDerWaalsContact O-N 3.16Å; D18-E21 HydrophobicContact CB-CB 4.08Å; D18-E21 WeakPolarHBondContact O-CB 3.37Å; D18-E21 PolarHBondContact O-N 2.82Å; D18-L22 PolarHBondContact O-N 3.15Å | ||
| 19 | I | 73 | Confident | 75 | Confident | 120 Ų | 120 | 96.1 Ų | 96.1 | 62% | 0.615 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -55.1 | -35.7 | -176.3 | -62.8 | 174.3 | 0 | 0 | 0 | 110 | E17 E21 L22 L23 | E17-I19 PolarHBondContact O-N 2.62Å; I19-E21 VanDerWaalsContact C-N 3.35Å; I19-E21 PolarHBondContact O-N 3.03Å; I19-L22 WeakPolarHBondContact O-CB 3.38Å; I19-L22 PolarHBondContact O-N 2.83Å; I19-L23 HydrophobicContact CG2-CD1 4.02Å; I19-L23 HydrophobicContact CG2-CG 4.26Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.43Å; I19-L23 PolarHBondContact O-N 3.17Å |
| 20 | D | 75.8 | Confident | 75.5 | Confident | 119 Ų | 119 | 95.7 Ų | 95.7 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.4 | -35.4 | 178.8 | -69.7 | -24.2 | 0 | 0 | 0 | 112 | D18 S24 | D18-D20 PolarHBondContact O-N 3.28Å; D18-D20 VanDerWaalsContact O-N 3.16Å; D20-S24 WeakPolarHBondContact O-CB 3.45Å; D20-S24 PolarHBondContact O-N 3.31Å |
| 21 | E | 80.9 | Confident | 76 | Confident | 103 Ų | 103 | 97.5 Ų | 97.5 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 175.1 | -164.1 | -167.3 | 149.8 | 0 | 0 | 111 | D18 I19 S24 K25 | D18-E21 HydrophobicContact CB-CB 4.08Å; D18-E21 WeakPolarHBondContact O-CB 3.37Å; D18-E21 PolarHBondContact O-N 2.82Å; I19-E21 VanDerWaalsContact C-N 3.35Å; I19-E21 PolarHBondContact O-N 3.03Å; E21-S24 PolarHBondContact O-N 3.05Å; E21-S24 PolarHBondContact O-OG 3.45Å; E21-K25 WeakPolarHBondContact O-CG 3.26Å; E21-K25 PolarHBondContact O-N 3.2Å; E21-K25 WeakPolarHBondContact OE1-CE 3.26Å; E21-K25 IonicContact OE1-NZ 2.69Å; E21-K25 PolarHBondContact OE1-NZ 3.15Å |
| 22 | L | 78.1 | Confident | 76.3 | Confident | 89 Ų | 89 | 98.2 Ų | 98.2 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 174.8 | -101.7 | 139.7 | 0 | 0 | 0 | 111.8 | E17 D18 I19 S24 K25 | E17-L22 HydrophobicContact CB-CD1 4.19Å; D18-L22 PolarHBondContact O-N 3.15Å; I19-L22 WeakPolarHBondContact O-CB 3.38Å; I19-L22 PolarHBondContact O-N 2.83Å; L22-S24 VanDerWaalsContact C-N 3.28Å; L22-S24 PolarHBondContact O-N 2.93Å; L22-K25 PolarHBondContact O-N 3.4Å |
| 23 | L | 76.8 | Confident | 76.4 | Confident | 63 Ų | 63 | 99.4 Ų | 99.4 | 33% | 0.33 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -36.2 | 176.6 | -70.1 | 175.3 | 0 | 0 | 0 | 111.7 | I19 K25 L26 L34 | I19-L23 HydrophobicContact CG2-CD1 4.02Å; I19-L23 HydrophobicContact CG2-CG 4.26Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.43Å; I19-L23 PolarHBondContact O-N 3.17Å; L23-K25 VanDerWaalsContact C-N 3.25Å; L23-K25 PolarHBondContact O-N 3.32Å; L23-L26 HydrophobicContact CD2-CD1 4.19Å; L23-L26 PolarHBondContact O-N 3.4Å; L23-L34 HydrophobicContact CD2-CD2 4.06Å |
| 24 | S | 80.9 | Confident | 76.8 | Confident | 93 Ų | 93 | 100.8 Ų | 100.8 | 65% | 0.65 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.5 | -22.5 | 178 | 78.9 | 0 | 0 | 0 | 0 | 114.4 | D20 E21 L22 | D20-S24 WeakPolarHBondContact O-CB 3.45Å; D20-S24 PolarHBondContact O-N 3.31Å; E21-S24 PolarHBondContact O-N 3.05Å; E21-S24 PolarHBondContact O-OG 3.45Å; L22-S24 VanDerWaalsContact C-N 3.28Å; L22-S24 PolarHBondContact O-N 2.93Å |
| 25 | K | 86.1 | Confident | 77 | Confident | 144 Ų | 144 | 101.7 Ų | 101.7 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -84.4 | -16.2 | 178.4 | -71.8 | 171.6 | -174.2 | 162 | 0 | 113.1 | E21 L22 L23 | E21-K25 WeakPolarHBondContact O-CG 3.26Å; E21-K25 PolarHBondContact O-N 3.2Å; E21-K25 WeakPolarHBondContact OE1-CE 3.26Å; E21-K25 IonicContact OE1-NZ 2.69Å; E21-K25 PolarHBondContact OE1-NZ 3.15Å; L22-K25 PolarHBondContact O-N 3.4Å; L23-K25 VanDerWaalsContact C-N 3.25Å; L23-K25 PolarHBondContact O-N 3.32Å |
| 26 | L | 85.6 | Confident | 77 | Confident | 58 Ų | 58 | 99.7 Ų | 99.7 | 30% | 0.304 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -78 | 141.5 | 179.4 | -69.9 | 169.1 | 0 | 0 | 0 | 110.6 | L23 E30 L31 L34 | L23-L26 HydrophobicContact CD2-CD1 4.19Å; L23-L26 PolarHBondContact O-N 3.4Å; L26-E30 HydrophobicContact CB-CB 4.32Å; L26-E30 HydrophobicContact CD2-CB 3.93Å; L26-L31 HydrophobicContact CB-CD1 3.79Å; L26-L31 HydrophobicContact CB-CG 4.37Å; L26-L34 HydrophobicContact CD1-CD2 3.99Å |
| 27 | T | 88.3 | Confident | 77.3 | Confident | 68 Ų | 68 | 98.6 Ų | 98.6 | 42% | 0.417 | 51% | 0.512 | S | S | . | . | trans | -70 | 157 | 170.2 | 59.8 | 0 | 0 | 0 | 0 | 110.4 | E29 E30 L31 | T27-E29 PolarHBondContact O-N 3.4Å; T27-E30 WeakPolarHBondContact CB-OE2 3.39Å; T27-E30 PolarHBondContact N-OE2 3.24Å; T27-E30 PolarHBondContact O-N 3.49Å; T27-E30 VanDerWaalsContact O-N 3.11Å; T27-E30 VanDerWaalsContact OG1-CD 3.23Å; T27-E30 WeakPolarHBondContact OG1-CG 3.39Å; T27-E30 PolarHBondContact OG1-N 3.42Å; T27-E30 PolarHBondContact OG1-OE2 3.32Å; T27-L31 PolarHBondContact O-N 2.8Å | ||
| 28 | P | 81.7 | Confident | 77.3 | Confident | 109 Ų | 109 | 102.1 Ų | 102.1 | 71% | 0.708 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.3 | -32.5 | 177.4 | 21.3 | -33 | 0 | 0 | 0 | 113.2 | E32 | P28-E32 PolarHBondContact O-N 2.88Å |
| 29 | E | 79.7 | Confident | 76.9 | Confident | 145 Ų | 145 | 101.9 Ų | 101.9 | 68% | 0.678 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.3 | -40.4 | 176.1 | -64.9 | -177.6 | 178.6 | 0 | 0 | 112.2 | T27 E32 Q33 | T27-E29 PolarHBondContact O-N 3.4Å; E29-E32 PolarHBondContact O-N 3.25Å; E29-Q33 WeakPolarHBondContact O-CG 3.23Å; E29-Q33 PolarHBondContact O-N 3.47Å |
| 30 | E | 82.6 | Confident | 76.2 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 41% | 0.407 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.9 | -34 | 175.8 | -69.2 | 165.8 | 141.1 | 0 | 0 | 111.9 | L26 T27 Q33 L34 | L26-E30 HydrophobicContact CB-CB 4.32Å; L26-E30 HydrophobicContact CD2-CB 3.93Å; T27-E30 WeakPolarHBondContact CB-OE2 3.39Å; T27-E30 PolarHBondContact N-OE2 3.24Å; T27-E30 PolarHBondContact O-N 3.49Å; T27-E30 VanDerWaalsContact O-N 3.11Å; T27-E30 VanDerWaalsContact OG1-CD 3.23Å; T27-E30 WeakPolarHBondContact OG1-CG 3.39Å; T27-E30 PolarHBondContact OG1-N 3.42Å; T27-E30 PolarHBondContact OG1-OE2 3.32Å; E30-Q33 PolarHBondContact O-N 2.98Å; E30-L34 VanDerWaalsContact O-CB 3.26Å; E30-L34 WeakPolarHBondContact O-CB 3.48Å; E30-L34 PolarHBondContact O-N 3.49Å |
| 31 | L | 79.6 | Confident | 75.6 | Confident | 74 Ų | 74 | 100.2 Ų | 100.2 | 39% | 0.387 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 173.3 | -112 | 128 | 0 | 0 | 0 | 112 | L26 T27 L34 N35 | L26-L31 HydrophobicContact CB-CD1 3.79Å; L26-L31 HydrophobicContact CB-CG 4.37Å; T27-L31 PolarHBondContact O-N 2.8Å; L31-L34 PolarHBondContact O-N 2.87Å; L31-N35 WeakPolarHBondContact O-CB 3.44Å; L31-N35 PolarHBondContact O-N 3.22Å |
| 32 | E | 74.4 | Confident | 75 | Confident | 132 Ų | 132 | 97.3 Ų | 97.3 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.1 | -46.9 | 174.7 | -172.1 | 172.5 | -154 | 0 | 0 | 111 | P28 E29 L34 N35 D36 | P28-E32 PolarHBondContact O-N 2.88Å; E29-E32 PolarHBondContact O-N 3.25Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 3Å; E32-N35 WeakPolarHBondContact O-CB 3.33Å; E32-N35 PolarHBondContact O-N 3.19Å; E32-N35 VanDerWaalsContact O-N 3.16Å; E32-D36 PolarHBondContact O-N 3.29Å |
| 33 | Q | 74.6 | Confident | 74.6 | Confident | 125 Ų | 125 | 98.1 Ų | 98.1 | 58% | 0.584 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.9 | -40.6 | 173.6 | -74.1 | 179.1 | 0.3 | 0 | 0 | 112.6 | E29 E30 N35 D36 D37 | E29-Q33 WeakPolarHBondContact O-CG 3.23Å; E29-Q33 PolarHBondContact O-N 3.47Å; E30-Q33 PolarHBondContact O-N 2.98Å; Q33-N35 VanDerWaalsContact C-N 3.31Å; Q33-N35 PolarHBondContact O-N 2.83Å; Q33-D36 WeakPolarHBondContact O-CB 3.17Å; Q33-D36 PolarHBondContact O-N 2.86Å; Q33-D37 PolarHBondContact O-N 3.29Å; Q33-D37 VanDerWaalsContact O-N 3.09Å |
| 34 | L | 76.4 | Confident | 74.4 | Confident | 71 Ų | 71 | 102.7 Ų | 102.7 | 37% | 0.372 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 177.2 | -174.2 | 64.8 | 0 | 0 | 0 | 111.4 | L23 L26 E30 L31 E32 D36 D37 F38 | L23-L34 HydrophobicContact CD2-CD2 4.06Å; L26-L34 HydrophobicContact CD1-CD2 3.99Å; E30-L34 VanDerWaalsContact O-CB 3.26Å; E30-L34 WeakPolarHBondContact O-CB 3.48Å; E30-L34 PolarHBondContact O-N 3.49Å; L31-L34 PolarHBondContact O-N 2.87Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 3Å; L34-D36 VanDerWaalsContact C-N 3.32Å; L34-D37 PolarHBondContact O-N 2.7Å; L34-F38 WeakPolarHBondContact O-CD2 3.39Å; L34-F38 PolarHBondContact O-N 3.09Å |
| 35 | N | 71.7 | Confident | 73.8 | Confident | 88 Ų | 88 | 100.8 Ų | 100.8 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -35 | 173.7 | -175.9 | 61.2 | 0 | 0 | 0 | 112 | L31 E32 Q33 D37 F38 | L31-N35 WeakPolarHBondContact O-CB 3.44Å; L31-N35 PolarHBondContact O-N 3.22Å; E32-N35 WeakPolarHBondContact O-CB 3.33Å; E32-N35 PolarHBondContact O-N 3.19Å; E32-N35 VanDerWaalsContact O-N 3.16Å; Q33-N35 VanDerWaalsContact C-N 3.31Å; Q33-N35 PolarHBondContact O-N 2.83Å; N35-D37 VanDerWaalsContact C-N 3.33Å; N35-F38 PolarHBondContact O-N 2.92Å |
| 36 | D | 67.4 | Low | 73.1 | Confident | 93 Ų | 93 | 96.7 Ų | 96.7 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.7 | -21.6 | 176.3 | -72.9 | -15.2 | 0 | 0 | 0 | 114.3 | E32 Q33 L34 R52 | E32-D36 PolarHBondContact O-N 3.29Å; Q33-D36 WeakPolarHBondContact O-CB 3.17Å; Q33-D36 PolarHBondContact O-N 2.86Å; L34-D36 VanDerWaalsContact C-N 3.32Å; D36-R52 PolarHBondContact O-NH2 3.12Å; D36-R52 VanDerWaalsContact O-NH2 3.14Å |
| 37 | D | 70.2 | Confident | 72.4 | Confident | 123 Ų | 123 | 98.5 Ų | 98.5 | 66% | 0.658 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -88.6 | -14 | 173.5 | -81.2 | -19.2 | 0 | 0 | 0 | 112.8 | Q33 L34 N35 R52 | Q33-D37 PolarHBondContact O-N 3.29Å; Q33-D37 VanDerWaalsContact O-N 3.09Å; L34-D37 PolarHBondContact O-N 2.7Å; N35-D37 VanDerWaalsContact C-N 3.33Å; D37-R52 IonicContact OD1-NH2 3.13Å; D37-R52 PolarHBondContact OD1-NH2 3.47Å |
| 38 | F | 68.3 | Low | 71.5 | Confident | 140 Ų | 140 | 99.6 Ų | 99.6 | 61% | 0.614 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -75.3 | 136.5 | 169.7 | -102.7 | -96.5 | 0 | 0 | 0 | 110.9 | L34 N35 | L34-F38 WeakPolarHBondContact O-CD2 3.39Å; L34-F38 PolarHBondContact O-N 3.09Å; N35-F38 PolarHBondContact O-N 2.92Å |
| 39 | D | 62.6 | Low | 70.9 | Confident | 95 Ų | 95 | 99.2 Ų | 99.2 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | trans | -12.1 | 116.2 | -173.9 | -166.8 | -4.7 | 0 | 0 | 0 | 116.7 | D41 N42 | D39-D41 PolarHBondContact O-N 2.82Å; D39-D41 PolarHBondContact OD1-N 3.21Å; D39-N42 WeakPolarHBondContact O-CB 3.43Å; D39-N42 PolarHBondContact O-N 2.89Å | ||
| 40 | P | 59.2 | Low | 70.4 | Confident | 91 Ų | 91 | 95.9 Ų | 95.9 | 59% | 0.591 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -18.8 | 174.2 | 25.9 | -35.2 | 0 | 0 | 0 | 113.2 | R50 | P40-R50 WeakPolarHBondContact O-CB 3.47Š|
| 41 | D | 62.2 | Low | 69.6 | Low | 114 Ų | 114 | 95.2 Ų | 95.2 | 61% | 0.61 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 18.5 | 176.2 | -78.5 | -28.3 | 0 | 0 | 0 | 114.1 | D39 S43 | D39-D41 PolarHBondContact O-N 2.82Å; D39-D41 PolarHBondContact OD1-N 3.21Å; D41-S43 PolarHBondContact O-N 3.39Å |
| 42 | N | 68.2 | Low | 68.7 | Low | 41 Ų | 41 | 100.9 Ų | 100.9 | 22% | 0.219 | 53% | 0.533 | C | S | . | . | trans | -49.2 | 109.5 | 178.6 | -172.7 | -12.1 | 0 | 0 | 0 | 112.1 | D39 L44 L45 R50 | D39-N42 WeakPolarHBondContact O-CB 3.43Å; D39-N42 PolarHBondContact O-N 2.89Å; N42-L44 PolarHBondContact O-N 3.14Å; N42-L44 WeakPolarHBondContact OD1-CB 3.5Å; N42-L44 PolarHBondContact OD1-N 2.99Å; N42-L44 VanDerWaalsContact OD1-N 3.08Å; N42-L45 PolarHBondContact O-N 3.36Å; N42-R50 PolarHBondContact O-NE 3.31Å; N42-R50 PolarHBondContact O-NH2 3.31Å | ||
| 43 | S | 69.6 | Low | 68.1 | Low | 107 Ų | 107 | 100.6 Ų | 100.6 | 75% | 0.748 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -19.6 | -173.4 | -59.5 | 0 | 0 | 0 | 0 | 113.7 | D41 L45 | D41-S43 PolarHBondContact O-N 3.39Å; S43-L45 VanDerWaalsContact C-N 3.35Å |
| 44 | L | 72.6 | Confident | 67.6 | Low | 159 Ų | 159 | 101.4 Ų | 101.4 | 83% | 0.832 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -22.6 | 178.9 | -72 | 147.4 | 0 | 0 | 0 | 112.6 | N42 | N42-L44 PolarHBondContact O-N 3.14Å; N42-L44 WeakPolarHBondContact OD1-CB 3.5Å; N42-L44 PolarHBondContact OD1-N 2.99Å; N42-L44 VanDerWaalsContact OD1-N 3.08Å |
| 45 | L | 68.6 | Low | 67.2 | Low | 53 Ų | 53 | 102.3 Ų | 102.3 | 28% | 0.277 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -96.8 | 139.5 | 179.1 | -64.4 | 174.8 | 0 | 0 | 0 | 110.8 | N42 S43 Q49 R50 | N42-L45 PolarHBondContact O-N 3.36Å; S43-L45 VanDerWaalsContact C-N 3.35Å; L45-Q49 HydrophobicContact CB-CB 4.37Å; L45-R50 HydrophobicContact CB-CG 4.22Å; L45-R50 VanDerWaalsContact O-CZ 3.29Å; L45-R50 PolarHBondContact O-NE 3.28Å; L45-R50 PolarHBondContact O-NH2 2.83Å |
| 46 | P | 70.8 | Confident | 67.2 | Low | 58 Ų | 58 | 105.1 Ų | 105.1 | 38% | 0.377 | 57% | 0.569 | S | S | . | * | trans | -62.8 | 151.1 | 171.5 | 25.8 | -32.6 | 0 | 0 | 0 | 110.7 | S48 Q49 R50 | P46-S48 PolarHBondContact O-N 3.39Å; P46-Q49 HydrophobicContact CG-CB 4.17Å; P46-Q49 HydrophobicContact CG-CG 3.93Å; P46-Q49 PolarHBondContact O-N 3.12Å; P46-R50 PolarHBondContact O-N 2.97Å | ||
| 47 | P | 71.6 | Confident | 67.7 | Low | 95 Ų | 95 | 108.7 Ų | 108.7 | 62% | 0.617 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -52.3 | -32.9 | -176 | -28.7 | 34.9 | 0 | 0 | 0 | 114.6 | Q49 R50 | P47-Q49 PolarHBondContact O-N 3.27Å; P47-R50 PolarHBondContact O-N 3.4Å |
| 48 | S | 69.7 | Low | 68.1 | Low | 91 Ų | 91 | 108.3 Ų | 108.3 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.5 | -22.7 | 178 | 59.1 | 0 | 0 | 0 | 0 | 114.2 | P46 | P46-S48 PolarHBondContact O-N 3.39Å |
| 49 | Q | 68.5 | Low | 68.4 | Low | 101 Ų | 101 | 107.8 Ų | 107.8 | 47% | 0.472 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -98.2 | -6.6 | 178.9 | -68.9 | 178 | -0.5 | 0 | 0 | 112.6 | L45 P46 P47 | L45-Q49 HydrophobicContact CB-CB 4.37Å; P46-Q49 HydrophobicContact CG-CB 4.17Å; P46-Q49 HydrophobicContact CG-CG 3.93Å; P46-Q49 PolarHBondContact O-N 3.12Å; P47-Q49 PolarHBondContact O-N 3.27Å |
| 50 | R | 69.3 | Low | 68.9 | Low | 76 Ų | 76 | 109.7 Ų | 109.7 | 29% | 0.287 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -82 | -23.1 | 176.5 | -64 | -178.3 | -163.3 | -169.6 | -1.4 | 112.8 | P40 N42 L45 P46 P47 | P40-R50 WeakPolarHBondContact O-CB 3.47Å; N42-R50 PolarHBondContact O-NE 3.31Å; N42-R50 PolarHBondContact O-NH2 3.31Å; L45-R50 HydrophobicContact CB-CG 4.22Å; L45-R50 VanDerWaalsContact O-CZ 3.29Å; L45-R50 PolarHBondContact O-NE 3.28Å; L45-R50 PolarHBondContact O-NH2 2.83Å; P46-R50 PolarHBondContact O-N 2.97Å; P47-R50 PolarHBondContact O-N 3.4Å |
| 51 | C | 65.5 | Low | 69.9 | Low | 72 Ų | 72 | 108 Ų | 108 | 49% | 0.486 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -77.4 | 126.9 | 179.2 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | D53 | C51-D53 WeakPolarHBondContact CB-OD1 3.48Å; C51-D53 PolarHBondContact O-N 2.94Å; C51-D53 VanDerWaalsContact O-N 3.1Å |
| 52 | R | 61.9 | Low | 70.9 | Confident | 193 Ų | 193 | 108.5 Ų | 108.5 | 73% | 0.728 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -61 | -14.3 | 179.3 | -73.9 | -177.4 | 166.4 | -164.1 | -12.7 | 114.6 | D36 D37 Q54 | D36-R52 PolarHBondContact O-NH2 3.12Å; D36-R52 VanDerWaalsContact O-NH2 3.14Å; D37-R52 IonicContact OD1-NH2 3.13Å; D37-R52 PolarHBondContact OD1-NH2 3.47Å; R52-Q54 VanDerWaalsContact C-N 3.28Å; R52-Q54 PolarHBondContact O-N 3.18Å |
| 53 | D | 62.2 | Low | 71.6 | Confident | 127 Ų | 127 | 114.4 Ų | 114.4 | 68% | 0.679 | 64% | 0.641 | S | S | * | * | trans | -90.5 | 32.8 | -168.4 | 64.7 | -27.5 | 0 | 0 | 0 | 114.2 | C51 T55 | C51-D53 WeakPolarHBondContact CB-OD1 3.48Å; C51-D53 PolarHBondContact O-N 2.94Å; C51-D53 VanDerWaalsContact O-N 3.1Å; D53-T55 PolarHBondContact O-N 3.4Å | ||
| 54 | Q | 63.9 | Low | 72.4 | Confident | 141 Ų | 141 | 113.5 Ų | 113.5 | 66% | 0.659 | 63% | 0.628 | S | S | * | * | trans | -71.3 | 72.6 | 164.6 | -65.1 | -155.9 | 54.7 | 0 | 0 | 110 | R52 T56 | R52-Q54 VanDerWaalsContact C-N 3.28Å; R52-Q54 PolarHBondContact O-N 3.18Å; Q54-T56 PolarHBondContact O-N 3.41Å | ||
| 55 | T | 66.5 | Low | 73.3 | Confident | 91 Ų | 91 | 113.6 Ų | 113.6 | 56% | 0.558 | 62% | 0.617 | S | S | * | * | trans | -65.5 | 123.6 | 171.2 | 170.1 | 0 | 0 | 0 | 0 | 109.1 | D53 K57 | D53-T55 PolarHBondContact O-N 3.4Å; T55-K57 PolarHBondContact O-N 3.04Å; T55-K57 WeakPolarHBondContact OG1-CB 3.49Å; T55-K57 VanDerWaalsContact OG1-CG 3.23Å; T55-K57 WeakPolarHBondContact OG1-CG 3.39Å; T55-K57 PolarHBondContact OG1-N 3.22Å; T55-K57 VanDerWaalsContact OG1-N 3.14Å | ||
| 56 | T | 72 | Confident | 74.3 | Confident | 147 Ų | 147 | 116.8 Ų | 116.8 | 90% | 0.902 | 63% | 0.63 | S | S | * | * | trans | -71.6 | -1.9 | 170.4 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | Q54 T58 | Q54-T56 PolarHBondContact O-N 3.41Å; T56-T58 PolarHBondContact O-N 3.4Å | ||
| 57 | K | 78.2 | Confident | 75.1 | Confident | 168 Ų | 168 | 120.8 Ų | 120.8 | 73% | 0.73 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 127.9 | 178.1 | -58.9 | 174.6 | -177 | 173.9 | 0 | 110.5 | T55 | T55-K57 PolarHBondContact O-N 3.04Å; T55-K57 WeakPolarHBondContact OG1-CB 3.49Å; T55-K57 VanDerWaalsContact OG1-CG 3.23Å; T55-K57 WeakPolarHBondContact OG1-CG 3.39Å; T55-K57 PolarHBondContact OG1-N 3.22Å; T55-K57 VanDerWaalsContact OG1-N 3.14Å |
| 58 | T | 78.8 | Confident | 75.9 | Confident | 114 Ų | 114 | 119.9 Ų | 119.9 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 147 | 170.5 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | T56 T60 | T56-T58 PolarHBondContact O-N 3.4Å; T58-T60 PolarHBondContact O-N 2.74Å; T58-T60 VanDerWaalsContact O-N 3.1Å |
| 59 | P | 75.4 | Confident | 76.9 | Confident | 130 Ų | 130 | 119.3 Ų | 119.3 | 84% | 0.844 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 116.4 | 177.2 | -22.5 | 31.8 | 0 | 0 | 0 | 111.6 | G61 | P59-G61 PolarHBondContact O-N 3.2Š|
| 60 | T | 71.8 | Confident | 78.1 | Confident | 134 Ų | 134 | 122.4 Ų | 122.4 | 82% | 0.822 | 63% | 0.628 | S | S | * | * | trans | -77.9 | 20.1 | -175.3 | 3.6 | 0 | 0 | 0 | 0 | 115.1 | T58 | T58-T60 PolarHBondContact O-N 2.74Å; T58-T60 VanDerWaalsContact O-N 3.1Å | ||
| 61 | G | 80.6 | Confident | 79.2 | Confident | 55 Ų | 55 | 125.1 Ų | 125.1 | 57% | 0.567 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 83 | -170.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P59 | P59-G61 PolarHBondContact O-N 3.2Š|
| 62 | P | 83.2 | Confident | 80.5 | Confident | 126 Ų | 126 | 125.9 Ų | 125.9 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -62.9 | 148.5 | -178.9 | 25.7 | -32.8 | 0 | 0 | 0 | 111.8 | D64 | P62-D64 PolarHBondContact O-N 3.1Š|
| 63 | F | 82.6 | Confident | 81.9 | Confident | 165 Ų | 165 | 120.7 Ų | 120.7 | 72% | 0.724 | 62% | 0.624 | S | S | * | * | trans | -62.4 | 116 | 179.6 | 174.6 | -103.8 | 0 | 0 | 0 | 111.2 | R65 L68 | F63-R65 HydrophobicContact CE1-CB 3.91Å; F63-R65 HydrophobicContact CZ-CB 4.15Å; F63-L68 HydrophobicContact CE2-CD2 3.79Å; F63-L68 HydrophobicContact CZ-CD2 4.29Å | ||
| 64 | D | 87.6 | Confident | 83.5 | Confident | 87 Ų | 87 | 121.2 Ų | 121.2 | 47% | 0.465 | 62% | 0.622 | S | S | . | * | trans | -112 | 106.4 | 172.2 | -178.3 | -10.3 | 0 | 0 | 0 | 109.7 | P62 E66 K67 L68 | P62-D64 PolarHBondContact O-N 3.1Å; D64-E66 VanDerWaalsContact C-N 3.32Å; D64-E66 PolarHBondContact O-N 3.45Å; D64-E66 PolarHBondContact OD1-N 2.91Å; D64-K67 HydrophobicContact CB-CB 3.99Å; D64-K67 PolarHBondContact O-N 3.37Å; D64-K67 PolarHBondContact OD1-N 3.42Å; D64-L68 PolarHBondContact O-N 2.96Å; D64-L68 VanDerWaalsContact O-N 3.1Å | ||
| 65 | R | 89.5 | Confident | 84.8 | Confident | 161 Ų | 161 | 119.1 Ų | 119.1 | 61% | 0.608 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.2 | -38.4 | -178.4 | -177.1 | 179.9 | 177.6 | -81.9 | -1 | 112.3 | F63 L68 L69 | F63-R65 HydrophobicContact CE1-CB 3.91Å; F63-R65 HydrophobicContact CZ-CB 4.15Å; R65-L68 PolarHBondContact O-N 3.15Å; R65-L69 PolarHBondContact O-N 3.26Å |
| 66 | E | 90.9 | Very high | 85.9 | Confident | 120 Ų | 120 | 118.4 Ų | 118.4 | 56% | 0.561 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.3 | -42.6 | -177.3 | -70.9 | -166.2 | -175.7 | 0 | 0 | 111.1 | D64 L68 L69 R70 | D64-E66 VanDerWaalsContact C-N 3.32Å; D64-E66 PolarHBondContact O-N 3.45Å; D64-E66 PolarHBondContact OD1-N 2.91Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 2.86Å; E66-L69 PolarHBondContact O-N 3.38Å; E66-R70 WeakPolarHBondContact O-CG 3.37Å; E66-R70 PolarHBondContact O-N 3.45Å; E66-R70 IonicContact OE2-NH2 3.17Å; E66-R70 PolarHBondContact OE2-NH2 2.92Å |
| 67 | K | 88 | Confident | 86.7 | Confident | 142 Ų | 142 | 119.6 Ų | 119.6 | 62% | 0.617 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.6 | -43.5 | 175.4 | -171.1 | 177.7 | -179.3 | -179.6 | 0 | 111.5 | D64 R70 Y71 | D64-K67 HydrophobicContact CB-CB 3.99Å; D64-K67 PolarHBondContact O-N 3.37Å; D64-K67 PolarHBondContact OD1-N 3.42Å; K67-R70 PolarHBondContact O-N 2.98Å; K67-Y71 WeakPolarHBondContact O-CB 3.45Å; K67-Y71 PolarHBondContact O-N 3.41Å |
| 68 | L | 87.9 | Confident | 87.4 | Confident | 76 Ų | 76 | 115.4 Ų | 115.4 | 40% | 0.398 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.4 | -44.8 | 175 | 178.4 | 61.9 | 0 | 0 | 0 | 111.5 | F63 D64 R65 E66 R70 Y71 L72 | F63-L68 HydrophobicContact CE2-CD2 3.79Å; F63-L68 HydrophobicContact CZ-CD2 4.29Å; D64-L68 PolarHBondContact O-N 2.96Å; D64-L68 VanDerWaalsContact O-N 3.1Å; R65-L68 PolarHBondContact O-N 3.15Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 2.86Å; L68-R70 VanDerWaalsContact C-N 3.35Å; L68-R70 PolarHBondContact O-N 2.9Å; L68-Y71 PolarHBondContact O-N 3.47Å; L68-L72 HydrophobicContact CD1-CD1 4.08Å; L68-L72 HydrophobicContact CD1-CG 4.07Å; L68-L72 HydrophobicContact CG-CD1 3.96Å; L68-L72 HydrophobicContact CG-CG 4.37Å; L68-L72 WeakPolarHBondContact O-CB 3.37Å; L68-L72 VanDerWaalsContact O-CG 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.5Å; L68-L72 PolarHBondContact O-N 3.14Å |
| 69 | L | 90.7 | Very high | 87.8 | Confident | 79 Ų | 79 | 115.8 Ų | 115.8 | 41% | 0.414 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.2 | -45.7 | 178.8 | -129.3 | 89.7 | 0 | 0 | 0 | 111.5 | R65 E66 L72 I73 | R65-L69 PolarHBondContact O-N 3.26Å; E66-L69 PolarHBondContact O-N 3.38Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-I73 WeakPolarHBondContact O-CD1 3.27Å; L69-I73 VanDerWaalsContact O-CG1 3.23Å; L69-I73 WeakPolarHBondContact O-CG1 3.25Å; L69-I73 PolarHBondContact O-N 3.38Å |
| 70 | R | 94 | Very high | 88.1 | Confident | 167 Ų | 167 | 118.8 Ų | 118.8 | 63% | 0.63 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.8 | -45.3 | 178.1 | -69.7 | 178.2 | -165.2 | 175.3 | 10.2 | 111.4 | E66 K67 L68 L72 I73 E74 | E66-R70 WeakPolarHBondContact O-CG 3.37Å; E66-R70 PolarHBondContact O-N 3.45Å; E66-R70 IonicContact OE2-NH2 3.17Å; E66-R70 PolarHBondContact OE2-NH2 2.92Å; K67-R70 PolarHBondContact O-N 2.98Å; L68-R70 VanDerWaalsContact C-N 3.35Å; L68-R70 PolarHBondContact O-N 2.9Å; R70-L72 PolarHBondContact O-N 3.23Å; R70-I73 PolarHBondContact O-N 2.94Å; R70-E74 WeakPolarHBondContact O-CB 3.29Å; R70-E74 PolarHBondContact O-N 3.44Å |
| 71 | Y | 91.3 | Very high | 88.4 | Confident | 132 Ų | 132 | 119.8 Ų | 119.8 | 52% | 0.518 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.6 | -44.9 | 175.7 | 172.3 | -100 | 0 | 0 | 0 | 112.2 | K67 L68 E74 K75 | K67-Y71 WeakPolarHBondContact O-CB 3.45Å; K67-Y71 PolarHBondContact O-N 3.41Å; L68-Y71 PolarHBondContact O-N 3.47Å; Y71-E74 PolarHBondContact O-N 3.1Å; Y71-K75 HydrophobicContact CE1-CD 4.2Å; Y71-K75 VanDerWaalsContact O-CB 3.26Å; Y71-K75 WeakPolarHBondContact O-CB 3.29Å; Y71-K75 PolarHBondContact O-N 3.48Å |
| 72 | L | 92.8 | Very high | 88.3 | Confident | 89 Ų | 89 | 127.6 Ų | 127.6 | 47% | 0.466 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65 | -40.1 | 178.8 | -71 | 173.1 | 0 | 0 | 0 | 111.9 | L68 L69 R70 A76 | L68-L72 HydrophobicContact CD1-CD1 4.08Å; L68-L72 HydrophobicContact CD1-CG 4.07Å; L68-L72 HydrophobicContact CG-CD1 3.96Å; L68-L72 HydrophobicContact CG-CG 4.37Å; L68-L72 WeakPolarHBondContact O-CB 3.37Å; L68-L72 VanDerWaalsContact O-CG 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.5Å; L68-L72 PolarHBondContact O-N 3.14Å; L69-L72 PolarHBondContact O-N 3.33Å; R70-L72 PolarHBondContact O-N 3.23Å; L72-A76 WeakPolarHBondContact O-CB 3.25Å; L72-A76 PolarHBondContact O-N 3.35Å |
| 73 | I | 92.6 | Very high | 88.1 | Confident | 84 Ų | 84 | 130.6 Ų | 130.6 | 43% | 0.431 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.6 | -44.4 | 175.8 | -69.1 | 164.5 | 0 | 0 | 0 | 110.7 | L69 R70 K77 | L69-I73 WeakPolarHBondContact O-CD1 3.27Å; L69-I73 VanDerWaalsContact O-CG1 3.23Å; L69-I73 WeakPolarHBondContact O-CG1 3.25Å; L69-I73 PolarHBondContact O-N 3.38Å; R70-I73 PolarHBondContact O-N 2.94Å; I73-K77 HydrophobicContact CG2-CD 4.16Å; I73-K77 WeakPolarHBondContact O-CB 3.21Å; I73-K77 VanDerWaalsContact O-CG 3.25Å; I73-K77 WeakPolarHBondContact O-CG 3.24Å; I73-K77 PolarHBondContact O-N 3.45Å |
| 74 | E | 94.3 | Very high | 87.6 | Confident | 137 Ų | 137 | 128.3 Ų | 128.3 | 64% | 0.64 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.6 | -45 | 179.5 | -171.8 | 176.2 | 178.1 | 0 | 0 | 111.4 | R70 Y71 K77 A78 | R70-E74 WeakPolarHBondContact O-CB 3.29Å; R70-E74 PolarHBondContact O-N 3.44Å; Y71-E74 PolarHBondContact O-N 3.1Å; E74-K77 PolarHBondContact O-N 2.79Å; E74-A78 WeakPolarHBondContact O-CB 3.48Å; E74-A78 PolarHBondContact O-N 2.86Å |
| 75 | K | 92.2 | Very high | 87.2 | Confident | 98 Ų | 98 | 129.2 Ų | 129.2 | 43% | 0.426 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -60.4 | -48.2 | 175 | -172.5 | -179.2 | 178.1 | -174.6 | 0 | 111.2 | Y71 K77 A78 E79 | Y71-K75 HydrophobicContact CE1-CD 4.2Å; Y71-K75 VanDerWaalsContact O-CB 3.26Å; Y71-K75 WeakPolarHBondContact O-CB 3.29Å; Y71-K75 PolarHBondContact O-N 3.48Å; K75-K77 PolarHBondContact O-N 3.26Å; K75-A78 PolarHBondContact O-N 3.09Å; K75-A78 VanDerWaalsContact O-N 3.08Å; K75-E79 WeakPolarHBondContact CE-OE2 3.41Å; K75-E79 WeakPolarHBondContact O-CB 3.39Å; K75-E79 PolarHBondContact O-N 2.88Å |
| 76 | A | 88.6 | Confident | 86.6 | Confident | 75 Ų | 75 | 127.1 Ų | 127.1 | 62% | 0.62 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.8 | -28.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L72 | L72-A76 WeakPolarHBondContact O-CB 3.25Å; L72-A76 PolarHBondContact O-N 3.35Å |
| 77 | K | 89.8 | Confident | 85.8 | Confident | 173 Ų | 173 | 126.6 Ų | 126.6 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -78.1 | -31.1 | 173.4 | -75.2 | 174.8 | -179.3 | -178.2 | 0 | 113.3 | I73 E74 K75 | I73-K77 HydrophobicContact CG2-CD 4.16Å; I73-K77 WeakPolarHBondContact O-CB 3.21Å; I73-K77 VanDerWaalsContact O-CG 3.25Å; I73-K77 WeakPolarHBondContact O-CG 3.24Å; I73-K77 PolarHBondContact O-N 3.45Å; E74-K77 PolarHBondContact O-N 2.79Å; K75-K77 PolarHBondContact O-N 3.26Å |
| 78 | A | 91.9 | Very high | 85.2 | Confident | 79 Ų | 79 | 127.7 Ų | 127.7 | 65% | 0.653 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -86.9 | -27.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E74 K75 K80 | E74-A78 WeakPolarHBondContact O-CB 3.48Å; E74-A78 PolarHBondContact O-N 2.86Å; K75-A78 PolarHBondContact O-N 3.09Å; K75-A78 VanDerWaalsContact O-N 3.08Å; A78-K80 PolarHBondContact O-N 3.3Å |
| 79 | E | 87.8 | Confident | 84.7 | Confident | 123 Ų | 123 | 130 Ų | 130 | 58% | 0.575 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -63.2 | 117.9 | 175.6 | -163.1 | 125.1 | -152.6 | 0 | 0 | 108.6 | K75 | K75-E79 WeakPolarHBondContact CE-OE2 3.41Å; K75-E79 WeakPolarHBondContact O-CB 3.39Å; K75-E79 PolarHBondContact O-N 2.88Å |
| 80 | K | 82.7 | Confident | 83.7 | Confident | 192 Ų | 192 | 134.8 Ų | 134.8 | 84% | 0.835 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 140.1 | 176.8 | -77.3 | -178.8 | 175.8 | 178.8 | 0 | 108.9 | A78 W82 | A78-K80 PolarHBondContact O-N 3.3Å; K80-W82 PolarHBondContact O-N 3.21Å |
| 81 | D | 77.6 | Confident | 82.7 | Confident | 155 Ų | 155 | 133.6 Ų | 133.6 | 83% | 0.829 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 133.4 | 166.6 | -72.3 | -21.2 | 0 | 0 | 0 | 108.8 | ||
| 82 | W | 77.9 | Confident | 81.5 | Confident | 220 Ų | 220 | 135.6 Ų | 135.6 | 83% | 0.833 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 146.6 | 172.5 | 52.4 | 71.6 | 0 | 0 | 0 | 109.4 | K80 E84 | K80-W82 PolarHBondContact O-N 3.21Å; W82-E84 PolarHBondContact O-N 3.43Å; W82-E84 VanDerWaalsContact O-N 3.17Å |
| 83 | E | 78.9 | Confident | 80.3 | Confident | 189 Ų | 189 | 143.1 Ų | 143.1 | 88% | 0.883 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 118 | 177 | -64.8 | -180 | -177.5 | 0 | 0 | 109.3 | A85 | E83-A85 PolarHBondContact O-N 3.46Å; E83-A85 VanDerWaalsContact O-N 3.09Å |
| 84 | E | 72.8 | Confident | 79.3 | Confident | 116 Ų | 116 | 142.1 Ų | 142.1 | 54% | 0.542 | 71% | 0.707 | S | S | . | * | trans | -63.7 | 111.8 | 171.8 | -70.9 | -176 | 179.4 | 0 | 0 | 108.8 | W82 V86 Y88 | W82-E84 PolarHBondContact O-N 3.43Å; W82-E84 VanDerWaalsContact O-N 3.17Å; E84-V86 PolarHBondContact O-N 2.78Å; E84-Y88 WeakPolarHBondContact OE2-CB 3.41Å; E84-Y88 PolarHBondContact OE2-N 3.39Å | ||
| 85 | A | 79.1 | Confident | 78.4 | Confident | 106 Ų | 106 | 145.6 Ų | 145.6 | 88% | 0.876 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -56.6 | -22.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | E83 | E83-A85 PolarHBondContact O-N 3.46Å; E83-A85 VanDerWaalsContact O-N 3.09Å |
| 86 | V | 76.2 | Confident | 77.4 | Confident | 118 Ų | 118 | 146 Ų | 146 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -129.7 | 111.2 | 173 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | E84 Y88 | E84-V86 PolarHBondContact O-N 2.78Å; V86-Y88 PolarHBondContact O-N 3.22Å |
| 87 | P | 75.2 | Confident | 76.9 | Confident | 108 Ų | 108 | 150.6 Ų | 150.6 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | -56.6 | 125.6 | 178.6 | -24.2 | 32.5 | 0 | 0 | 0 | 111 | E89 | P87-E89 PolarHBondContact O-N 3Š| ||
| 88 | Y | 74.9 | Confident | 76.2 | Confident | 166 Ų | 166 | 147.8 Ų | 147.8 | 65% | 0.651 | 73% | 0.731 | S | S | * | * | trans | -56.9 | 108.5 | 173.6 | 174 | -106.1 | 0 | 0 | 0 | 111.7 | E84 V86 K90 | E84-Y88 WeakPolarHBondContact OE2-CB 3.41Å; E84-Y88 PolarHBondContact OE2-N 3.39Å; V86-Y88 PolarHBondContact O-N 3.22Å; Y88-K90 HydrophobicContact CD1-CG 4.17Å; Y88-K90 HydrophobicContact CE1-CB 4.36Å; Y88-K90 HydrophobicContact CE1-CD 4.46Å; Y88-K90 HydrophobicContact CE1-CG 3.36Å | ||
| 89 | E | 77.3 | Confident | 75.4 | Confident | 125 Ų | 125 | 148.7 Ų | 148.7 | 58% | 0.584 | 73% | 0.73 | S | S | * | * | trans | -90.4 | 123.8 | 170.2 | -141.5 | -173.8 | 166.8 | 0 | 0 | 108.5 | P87 K91 | P87-E89 PolarHBondContact O-N 3Å; E89-K91 VanDerWaalsContact CD-NZ 3.26Å; E89-K91 PolarHBondContact O-N 3.48Å; E89-K91 WeakPolarHBondContact OE1-CE 3.39Å; E89-K91 IonicContact OE1-NZ 3.98Å; E89-K91 PolarHBondContact OE1-NZ 2.85Å; E89-K91 VanDerWaalsContact OE1-NZ 3.13Å; E89-K91 VanDerWaalsContact OE2-CE 3.27Å; E89-K91 WeakPolarHBondContact OE2-CE 3.25Å; E89-K91 IonicContact OE2-NZ 2.88Å; E89-K91 PolarHBondContact OE2-NZ 2.9Å | ||
| 90 | K | 69.8 | Low | 74.8 | Confident | 179 Ų | 179 | 151.4 Ų | 151.4 | 78% | 0.778 | 74% | 0.74 | S | S | * | * | trans | -68 | 54.4 | 176.4 | -78.6 | -178.6 | -178.2 | 174.9 | 0 | 112.5 | Y88 K92 | Y88-K90 HydrophobicContact CD1-CG 4.17Å; Y88-K90 HydrophobicContact CE1-CB 4.36Å; Y88-K90 HydrophobicContact CE1-CD 4.46Å; Y88-K90 HydrophobicContact CE1-CG 3.36Å; K90-K92 PolarHBondContact O-N 3.31Å | ||
| 91 | K | 72.8 | Confident | 74 | Confident | 141 Ų | 141 | 150.8 Ų | 150.8 | 61% | 0.613 | 74% | 0.74 | S | S | * | * | trans | -83.6 | 96.7 | 167.3 | -77.2 | 174 | 177.4 | 153.2 | 0 | 107.8 | E89 R93 | E89-K91 VanDerWaalsContact CD-NZ 3.26Å; E89-K91 PolarHBondContact O-N 3.48Å; E89-K91 WeakPolarHBondContact OE1-CE 3.39Å; E89-K91 IonicContact OE1-NZ 3.98Å; E89-K91 PolarHBondContact OE1-NZ 2.85Å; E89-K91 VanDerWaalsContact OE1-NZ 3.13Å; E89-K91 VanDerWaalsContact OE2-CE 3.27Å; E89-K91 WeakPolarHBondContact OE2-CE 3.25Å; E89-K91 IonicContact OE2-NZ 2.88Å; E89-K91 PolarHBondContact OE2-NZ 2.9Å; K91-R93 VanDerWaalsContact C-N 3.31Å; K91-R93 PolarHBondContact O-N 2.96Å | ||
| 92 | K | 65.5 | Low | 73.2 | Confident | 175 Ų | 175 | 151.4 Ų | 151.4 | 76% | 0.761 | 74% | 0.741 | S | S | * | * | trans | -63 | 95.2 | 166 | -71.6 | -176 | 178.9 | -179.1 | 0 | 108 | K90 G94 | K90-K92 PolarHBondContact O-N 3.31Å; K92-G94 PolarHBondContact O-N 3.43Å | ||
| 93 | R | 68.4 | Low | 72.2 | Confident | 246 Ų | 246 | 148.1 Ų | 148.1 | 93% | 0.928 | 74% | 0.737 | S | S | * | * | trans | -73.9 | 121.7 | 168.3 | -72.1 | -175.7 | 69.1 | -169.9 | 0.5 | 107.9 | K91 | K91-R93 VanDerWaalsContact C-N 3.31Å; K91-R93 PolarHBondContact O-N 2.96Å | ||
| 94 | G | 71.1 | Confident | 71.2 | Confident | 64 Ų | 64 | 143.2 Ų | 143.2 | 66% | 0.66 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 103.4 | 164.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K92 | K92-G94 PolarHBondContact O-N 3.43Š|
| 95 | K | 76.8 | Confident | 70.6 | Confident | 209 Ų | 209 | 143.6 Ų | 143.6 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | trans | -64.2 | 137.4 | 178.4 | -63.8 | -179.1 | 179.2 | -179.1 | 0 | 108.8 | Y97 | K95-Y97 PolarHBondContact O-N 3.39Å; K95-Y97 VanDerWaalsContact O-N 3.14Å | ||
| 96 | V | 70.2 | Confident | 69.9 | Low | 106 Ų | 106 | 140.4 Ų | 140.4 | 64% | 0.642 | 71% | 0.708 | S | S | * | * | trans | -56 | 122.1 | 170.5 | 177.7 | 0 | 0 | 0 | 0 | 107.3 | T98 | V96-T98 PolarHBondContact O-N 2.76Š| ||
| 97 | Y | 78 | Confident | 69.6 | Low | 173 Ų | 173 | 138.6 Ų | 138.6 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | trans | -62.6 | 106.1 | 175.3 | 176.1 | -101.5 | 0 | 0 | 0 | 108.5 | K95 P99 | K95-Y97 PolarHBondContact O-N 3.39Å; K95-Y97 VanDerWaalsContact O-N 3.14Å; Y97-P99 HydrophobicContact CE1-CB 4.38Å; Y97-P99 HydrophobicContact CE1-CG 4.48Å | ||
| 98 | T | 76.1 | Confident | 69.1 | Low | 114 Ų | 114 | 140.6 Ų | 140.6 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 121.9 | 160.9 | 31.8 | 0 | 0 | 0 | 0 | 107.3 | V96 K100 | V96-T98 PolarHBondContact O-N 2.76Å; T98-K100 PolarHBondContact O-N 2.89Å |
| 99 | P | 74.9 | Confident | 68.7 | Low | 97 Ų | 97 | 138.7 Ų | 138.7 | 63% | 0.63 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 128.5 | 169.8 | -21 | 30.4 | 0 | 0 | 0 | 108.5 | Y97 Q101 | Y97-P99 HydrophobicContact CE1-CB 4.38Å; Y97-P99 HydrophobicContact CE1-CG 4.48Å; P99-Q101 PolarHBondContact O-N 3.49Å; P99-Q101 VanDerWaalsContact O-N 3.1Å |
| 100 | K | 74.9 | Confident | 68.2 | Low | 181 Ų | 181 | 136.1 Ų | 136.1 | 79% | 0.787 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 121.7 | 166.8 | -68.2 | -177.4 | 179.4 | -177.2 | 0 | 105.9 | T98 I102 | T98-K100 PolarHBondContact O-N 2.89Å; K100-I102 PolarHBondContact O-N 3.25Å; K100-I102 VanDerWaalsContact O-N 3.07Å |
| 101 | Q | 65.7 | Low | 67.9 | Low | 179 Ų | 179 | 131.1 Ų | 131.1 | 84% | 0.836 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 121.8 | 170.1 | -73.2 | -175.3 | -17.3 | 0 | 0 | 106 | P99 M103 | P99-Q101 PolarHBondContact O-N 3.49Å; P99-Q101 VanDerWaalsContact O-N 3.1Å; Q101-M103 PolarHBondContact O-N 2.96Å |
| 102 | I | 61.6 | Low | 67.5 | Low | 168 Ų | 168 | 127.6 Ų | 127.6 | 86% | 0.862 | 66% | 0.657 | S | S | * | * | trans | -62 | 101.6 | 169.2 | -57.9 | 168.8 | 0 | 0 | 0 | 102.8 | K100 S104 | K100-I102 PolarHBondContact O-N 3.25Å; K100-I102 VanDerWaalsContact O-N 3.07Å; I102-S104 PolarHBondContact O-N 2.73Å | ||
| 103 | M | 56.6 | Low | 67.6 | Low | 151 Ų | 151 | 127.6 Ų | 127.6 | 74% | 0.744 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 119.8 | 174.5 | -65.9 | -178 | 69.4 | 0 | 0 | 104.7 | Q101 | Q101-M103 PolarHBondContact O-N 2.96Š|
| 104 | S | 58.2 | Low | 67.6 | Low | 86 Ų | 86 | 121.7 Ų | 121.7 | 60% | 0.601 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 143.7 | 164.6 | 42.9 | 0 | 0 | 0 | 0 | 107.5 | I102 S106 | I102-S104 PolarHBondContact O-N 2.73Å; S104-S106 PolarHBondContact O-N 3.23Å |
| 105 | P | 59.3 | Low | 67.3 | Low | 123 Ų | 123 | 121.2 Ų | 121.2 | 80% | 0.799 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 122.9 | 175.6 | 18.8 | -30.4 | 0 | 0 | 0 | 108.3 | T107 | P105-T107 PolarHBondContact O-N 2.91Š|
| 106 | S | 64.9 | Low | 66.7 | Low | 40 Ų | 40 | 117.8 Ų | 117.8 | 28% | 0.28 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 132.3 | -175.7 | -80.2 | 0 | 0 | 0 | 0 | 109.5 | S104 E110 | S104-S106 PolarHBondContact O-N 3.23Å; S106-E110 VanDerWaalsContact CA-OE2 3.26Å; S106-E110 WeakPolarHBondContact CA-OE2 3.35Å; S106-E110 VanDerWaalsContact CB-OE2 3.23Å; S106-E110 WeakPolarHBondContact CB-OE2 3.4Å; S106-E110 PolarHBondContact OG-OE2 3.36Å |
| 107 | T | 69.6 | Low | 66.4 | Low | 79 Ų | 79 | 116.7 Ų | 116.7 | 49% | 0.485 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 149.1 | 179.5 | -33.9 | 0 | 0 | 0 | 0 | 108.8 | P105 N109 E110 L111 | P105-T107 PolarHBondContact O-N 2.91Å; T107-N109 PolarHBondContact O-N 2.83Å; T107-E110 WeakPolarHBondContact O-CA 3.42Å; T107-E110 WeakPolarHBondContact O-CB 3.42Å; T107-E110 PolarHBondContact O-N 3.27Å; T107-E110 PolarHBondContact OG1-OE1 2.88Å; T107-L111 PolarHBondContact O-N 3.06Å; T107-L111 VanDerWaalsContact O-N 3.14Å |
| 108 | Q | 64.9 | Low | 65.7 | Low | 151 Ų | 151 | 112.2 Ų | 112.2 | 71% | 0.706 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -51 | -37 | 177.6 | -173 | 168.8 | -18.3 | 0 | 0 | 111.9 | E110 L111 V112 | Q108-E110 VanDerWaalsContact C-N 3.34Å; Q108-E110 PolarHBondContact O-N 2.91Å; Q108-L111 WeakPolarHBondContact O-CB 3.49Å; Q108-L111 PolarHBondContact O-N 2.93Å; Q108-V112 VanDerWaalsContact O-CG2 3.26Å; Q108-V112 WeakPolarHBondContact O-CG2 3.41Å; Q108-V112 PolarHBondContact O-N 3.05Å |
| 109 | N | 66.4 | Low | 65.4 | Low | 126 Ų | 126 | 115 Ų | 115 | 67% | 0.674 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.4 | -36.6 | 173.3 | -66.9 | -1.3 | 0 | 0 | 0 | 114 | T107 V112 E113 | T107-N109 PolarHBondContact O-N 2.83Å; N109-V112 PolarHBondContact O-N 3.19Å; N109-E113 WeakPolarHBondContact O-CB 3.39Å; N109-E113 PolarHBondContact O-N 3.23Å |
| 110 | E | 65.8 | Low | 65.3 | Low | 71 Ų | 71 | 115.1 Ų | 115.1 | 33% | 0.332 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.4 | -36.9 | 176.4 | -67.5 | 166 | -144.9 | 0 | 0 | 111 | S106 T107 Q108 V112 E113 M114 | S106-E110 VanDerWaalsContact CA-OE2 3.26Å; S106-E110 WeakPolarHBondContact CA-OE2 3.35Å; S106-E110 VanDerWaalsContact CB-OE2 3.23Å; S106-E110 WeakPolarHBondContact CB-OE2 3.4Å; S106-E110 PolarHBondContact OG-OE2 3.36Å; T107-E110 WeakPolarHBondContact O-CA 3.42Å; T107-E110 WeakPolarHBondContact O-CB 3.42Å; T107-E110 PolarHBondContact O-N 3.27Å; T107-E110 PolarHBondContact OG1-OE1 2.88Å; Q108-E110 VanDerWaalsContact C-N 3.34Å; Q108-E110 PolarHBondContact O-N 2.91Å; E110-V112 VanDerWaalsContact C-N 3.32Å; E110-E113 PolarHBondContact O-N 3.48Å; E110-M114 WeakPolarHBondContact O-CB 3.41Å; E110-M114 VanDerWaalsContact O-CG 3.26Å; E110-M114 WeakPolarHBondContact O-CG 3.22Å; E110-M114 PolarHBondContact O-N 3.39Å |
| 111 | L | 64.7 | Low | 65.6 | Low | 73 Ų | 73 | 112.6 Ų | 112.6 | 38% | 0.382 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63 | -41 | 174.2 | -66.4 | 172.9 | 0 | 0 | 0 | 111.1 | T107 Q108 M114 G115 F116 | T107-L111 PolarHBondContact O-N 3.06Å; T107-L111 VanDerWaalsContact O-N 3.14Å; Q108-L111 WeakPolarHBondContact O-CB 3.49Å; Q108-L111 PolarHBondContact O-N 2.93Å; L111-M114 PolarHBondContact O-N 2.87Å; L111-G115 PolarHBondContact O-N 3.04Å; L111-F116 HydrophobicContact CB-CB 4.27Å; L111-F116 HydrophobicContact CD2-CB 4.32Å; L111-F116 HydrophobicContact CD2-CD2 4.23Å; L111-F116 PolarHBondContact O-N 3.41Å |
| 112 | V | 63.3 | Low | 66.3 | Low | 68 Ų | 68 | 109.9 Ų | 109.9 | 41% | 0.412 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60 | -48.3 | 172.2 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | Q108 N109 E110 M114 G115 D117 | Q108-V112 VanDerWaalsContact O-CG2 3.26Å; Q108-V112 WeakPolarHBondContact O-CG2 3.41Å; Q108-V112 PolarHBondContact O-N 3.05Å; N109-V112 PolarHBondContact O-N 3.19Å; E110-V112 VanDerWaalsContact C-N 3.32Å; V112-M114 VanDerWaalsContact C-N 3.29Å; V112-M114 PolarHBondContact O-N 3.35Å; V112-G115 PolarHBondContact O-N 3.22Å; V112-D117 HydrophobicContact CB-CB 4.18Å; V112-D117 HydrophobicContact CG1-CB 4.42Å; V112-D117 HydrophobicContact CG2-CB 3.73Å |
| 113 | E | 68.7 | Low | 67.4 | Low | 174 Ų | 174 | 107.8 Ų | 107.8 | 81% | 0.813 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64 | -33.3 | 179.7 | -168.7 | 175.1 | -172.7 | 0 | 0 | 112.7 | N109 E110 G115 | N109-E113 WeakPolarHBondContact O-CB 3.39Å; N109-E113 PolarHBondContact O-N 3.23Å; E110-E113 PolarHBondContact O-N 3.48Å; E113-G115 PolarHBondContact O-N 3.12Å |
| 114 | M | 68.3 | Low | 68.6 | Low | 123 Ų | 123 | 103.4 Ų | 103.4 | 61% | 0.606 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -4.8 | 173.1 | -71.5 | -174.5 | 77 | 0 | 0 | 113.7 | E110 L111 V112 F116 | E110-M114 WeakPolarHBondContact O-CB 3.41Å; E110-M114 VanDerWaalsContact O-CG 3.26Å; E110-M114 WeakPolarHBondContact O-CG 3.22Å; E110-M114 PolarHBondContact O-N 3.39Å; L111-M114 PolarHBondContact O-N 2.87Å; V112-M114 VanDerWaalsContact C-N 3.29Å; V112-M114 PolarHBondContact O-N 3.35Å; M114-F116 VanDerWaalsContact C-N 3.32Å; M114-F116 HydrophobicContact CB-CD2 3.57Å; M114-F116 HydrophobicContact CB-CE2 3.96Å; M114-F116 HydrophobicContact CE-CD2 4.31Å; M114-F116 HydrophobicContact CE-CE2 3.6Å; M114-F116 HydrophobicContact SD-CD2 4.32Å; M114-F116 HydrophobicContact SD-CE2 4.16Å |
| 115 | G | 65.1 | Low | 69.8 | Low | 54 Ų | 54 | 101.9 Ų | 101.9 | 56% | 0.557 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 20.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L111 V112 E113 D117 | L111-G115 PolarHBondContact O-N 3.04Å; V112-G115 PolarHBondContact O-N 3.22Å; E113-G115 PolarHBondContact O-N 3.12Å; G115-D117 VanDerWaalsContact C-N 3.32Å |
| 116 | F | 62.9 | Low | 71 | Confident | 137 Ų | 137 | 101.6 Ų | 101.6 | 60% | 0.601 | 53% | 0.532 | S | S | * | . | trans | -83.9 | -8.6 | 172.1 | -74.2 | -67.4 | 0 | 0 | 0 | 113.2 | L111 M114 V118 | L111-F116 HydrophobicContact CB-CB 4.27Å; L111-F116 HydrophobicContact CD2-CB 4.32Å; L111-F116 HydrophobicContact CD2-CD2 4.23Å; L111-F116 PolarHBondContact O-N 3.41Å; M114-F116 VanDerWaalsContact C-N 3.32Å; M114-F116 HydrophobicContact CB-CD2 3.57Å; M114-F116 HydrophobicContact CB-CE2 3.96Å; M114-F116 HydrophobicContact CE-CD2 4.31Å; M114-F116 HydrophobicContact CE-CE2 3.6Å; M114-F116 HydrophobicContact SD-CD2 4.32Å; M114-F116 HydrophobicContact SD-CE2 4.16Å; F116-V118 PolarHBondContact O-N 2.88Å | ||
| 117 | D | 63.4 | Low | 72 | Confident | 83 Ų | 83 | 102.6 Ų | 102.6 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | trans | -74.6 | 82.9 | 168.1 | -166.3 | 18.2 | 0 | 0 | 0 | 109.2 | V112 G115 E119 | V112-D117 HydrophobicContact CB-CB 4.18Å; V112-D117 HydrophobicContact CG1-CB 4.42Å; V112-D117 HydrophobicContact CG2-CB 3.73Å; G115-D117 VanDerWaalsContact C-N 3.32Å; D117-E119 PolarHBondContact O-N 3.49Å | ||
| 118 | V | 64.1 | Low | 72.7 | Confident | 79 Ų | 79 | 101.7 Ų | 101.7 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | trans | -82.5 | 99.9 | 169.7 | -175.5 | 0 | 0 | 0 | 0 | 106 | F116 F120 | F116-V118 PolarHBondContact O-N 2.88Å; V118-F120 VanDerWaalsContact C-N 3.27Å; V118-F120 HydrophobicContact CB-CD2 4.38Å; V118-F120 HydrophobicContact CB-CE2 3.87Å; V118-F120 HydrophobicContact CB-CZ 3.94Å; V118-F120 HydrophobicContact CG1-CD1 4Å; V118-F120 HydrophobicContact CG1-CD2 4.22Å; V118-F120 HydrophobicContact CG1-CE1 3.59Å; V118-F120 HydrophobicContact CG1-CE2 3.83Å; V118-F120 HydrophobicContact CG1-CG 4.3Å; V118-F120 HydrophobicContact CG1-CZ 3.5Å; V118-F120 VanDerWaalsContact CG1-CZ 3.5Å; V118-F120 WeakPolarHBondContact O-CD2 3.42Å; V118-F120 PolarHBondContact O-N 3.43Å | ||
| 119 | E | 70.8 | Confident | 73.7 | Confident | 173 Ų | 173 | 102 Ų | 102 | 81% | 0.808 | 54% | 0.536 | S | S | * | . | trans | -63 | 91.9 | 168.8 | -74.6 | -177.5 | 170.9 | 0 | 0 | 108.6 | D117 | D117-E119 PolarHBondContact O-N 3.49Š| ||
| 120 | F | 71.2 | Confident | 74.8 | Confident | 99 Ų | 99 | 102.4 Ų | 102.4 | 43% | 0.434 | 54% | 0.538 | S | S | . | . | trans | -75.5 | 160.4 | 164.2 | -60.8 | -72.5 | 0 | 0 | 0 | 110 | V118 V124 N125 L128 | V118-F120 VanDerWaalsContact C-N 3.27Å; V118-F120 HydrophobicContact CB-CD2 4.38Å; V118-F120 HydrophobicContact CB-CE2 3.87Å; V118-F120 HydrophobicContact CB-CZ 3.94Å; V118-F120 HydrophobicContact CG1-CD1 4Å; V118-F120 HydrophobicContact CG1-CD2 4.22Å; V118-F120 HydrophobicContact CG1-CE1 3.59Å; V118-F120 HydrophobicContact CG1-CE2 3.83Å; V118-F120 HydrophobicContact CG1-CG 4.3Å; V118-F120 HydrophobicContact CG1-CZ 3.5Å; V118-F120 VanDerWaalsContact CG1-CZ 3.5Å; V118-F120 WeakPolarHBondContact O-CD2 3.42Å; V118-F120 PolarHBondContact O-N 3.43Å; F120-V124 HydrophobicContact CB-CB 3.91Å; F120-V124 HydrophobicContact CB-CG1 3.88Å; F120-V124 HydrophobicContact CD1-CG1 4.35Å; F120-V124 HydrophobicContact CG-CG1 4.08Å; F120-N125 PolarHBondContact O-ND2 3.39Å; F120-L128 HydrophobicContact CD2-CD1 4.36Å; F120-L128 HydrophobicContact CE2-CD1 4.48Å | ||
| 121 | D | 81.3 | Confident | 75.8 | Confident | 127 Ų | 127 | 100.4 Ų | 100.4 | 68% | 0.679 | 53% | 0.533 | S | S | * | . | trans | -53.7 | 144.9 | 171.3 | -65.6 | -35.5 | 0 | 0 | 0 | 110.5 | D123 V124 N125 | D121-D123 PolarHBondContact O-N 2.98Å; D121-V124 HydrophobicContact CB-CG2 4.36Å; D121-V124 WeakPolarHBondContact O-CB 3.34Å; D121-V124 PolarHBondContact O-N 3.46Å; D121-N125 PolarHBondContact O-N 3.3Å; D121-N125 VanDerWaalsContact O-N 3.1Å | ||
| 122 | D | 80.8 | Confident | 76.8 | Confident | 122 Ų | 122 | 100.5 Ų | 100.5 | 65% | 0.652 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -50.5 | -33 | -178.8 | -74.6 | -16.1 | 0 | 0 | 0 | 112.9 | K126 | D122-K126 WeakPolarHBondContact O-CB 3.43Å; D122-K126 VanDerWaalsContact O-CG 3.27Å; D122-K126 WeakPolarHBondContact O-CG 3.42Å; D122-K126 PolarHBondContact O-N 3Å; D122-K126 VanDerWaalsContact O-N 3.12Å |
| 123 | D | 84.9 | Confident | 77.7 | Confident | 124 Ų | 124 | 101.7 Ų | 101.7 | 66% | 0.663 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.4 | -35.2 | 179.4 | -64.6 | -22.7 | 0 | 0 | 0 | 112.3 | D121 A127 | D121-D123 PolarHBondContact O-N 2.98Å; D123-A127 WeakPolarHBondContact O-CB 3.45Å; D123-A127 PolarHBondContact O-N 3.28Å; D123-A127 VanDerWaalsContact O-N 3.08Å |
| 124 | V | 83 | Confident | 78.3 | Confident | 60 Ų | 60 | 97.2 Ų | 97.2 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -73.8 | -43.4 | 177.2 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | F120 D121 K126 A127 L128 | F120-V124 HydrophobicContact CB-CB 3.91Å; F120-V124 HydrophobicContact CB-CG1 3.88Å; F120-V124 HydrophobicContact CD1-CG1 4.35Å; F120-V124 HydrophobicContact CG-CG1 4.08Å; D121-V124 HydrophobicContact CB-CG2 4.36Å; D121-V124 WeakPolarHBondContact O-CB 3.34Å; D121-V124 PolarHBondContact O-N 3.46Å; V124-K126 VanDerWaalsContact C-N 3.35Å; V124-K126 PolarHBondContact O-N 2.92Å; V124-A127 WeakPolarHBondContact O-CB 3.43Å; V124-A127 PolarHBondContact O-N 3.19Å; V124-A127 VanDerWaalsContact O-N 3.07Å; V124-L128 HydrophobicContact CG1-CD1 4.15Å; V124-L128 HydrophobicContact CG1-CG 4.4Å; V124-L128 WeakPolarHBondContact O-CG 3.26Å; V124-L128 PolarHBondContact O-N 2.87Å |
| 125 | N | 82 | Confident | 79.1 | Confident | 54 Ų | 54 | 96.6 Ų | 96.6 | 29% | 0.289 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 176.2 | -74.2 | -34.5 | 0 | 0 | 0 | 111.3 | F120 D121 A127 L128 E129 | F120-N125 PolarHBondContact O-ND2 3.39Å; D121-N125 PolarHBondContact O-N 3.3Å; D121-N125 VanDerWaalsContact O-N 3.1Å; N125-A127 VanDerWaalsContact C-N 3.27Å; N125-A127 PolarHBondContact O-N 2.97Å; N125-L128 PolarHBondContact O-N 3.35Å; N125-E129 WeakPolarHBondContact O-CB 3.34Å; N125-E129 WeakPolarHBondContact O-CG 3.08Å; N125-E129 PolarHBondContact O-N 3.42Å |
| 126 | K | 84.8 | Confident | 80.1 | Confident | 117 Ų | 117 | 96.6 Ų | 96.6 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -35.3 | 173.3 | -74.7 | 171.1 | -169.9 | 158.4 | 0 | 112.8 | D122 V124 N130 | D122-K126 WeakPolarHBondContact O-CB 3.43Å; D122-K126 VanDerWaalsContact O-CG 3.27Å; D122-K126 WeakPolarHBondContact O-CG 3.42Å; D122-K126 PolarHBondContact O-N 3Å; D122-K126 VanDerWaalsContact O-N 3.12Å; V124-K126 VanDerWaalsContact C-N 3.35Å; V124-K126 PolarHBondContact O-N 2.92Å; K126-N130 WeakPolarHBondContact O-CB 3.16Å; K126-N130 PolarHBondContact O-N 3.43Å; K126-N130 PolarHBondContact O-ND2 2.91Å |
| 127 | A | 85.7 | Confident | 81.1 | Confident | 61 Ų | 61 | 90 Ų | 90 | 50% | 0.504 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.5 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D123 V124 N125 N130 A131 | D123-A127 WeakPolarHBondContact O-CB 3.45Å; D123-A127 PolarHBondContact O-N 3.28Å; D123-A127 VanDerWaalsContact O-N 3.08Å; V124-A127 WeakPolarHBondContact O-CB 3.43Å; V124-A127 PolarHBondContact O-N 3.19Å; V124-A127 VanDerWaalsContact O-N 3.07Å; N125-A127 VanDerWaalsContact C-N 3.27Å; N125-A127 PolarHBondContact O-N 2.97Å; A127-N130 PolarHBondContact O-N 2.91Å; A127-A131 WeakPolarHBondContact O-CB 3.41Å; A127-A131 PolarHBondContact O-N 3.43Å |
| 128 | L | 85.4 | Confident | 82.1 | Confident | 60 Ų | 60 | 89.3 Ų | 89.3 | 31% | 0.314 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 177.3 | -68.6 | 173.6 | 0 | 0 | 0 | 112.5 | F120 V124 N125 N130 A131 L136 L139 | F120-L128 HydrophobicContact CD2-CD1 4.36Å; F120-L128 HydrophobicContact CE2-CD1 4.48Å; V124-L128 HydrophobicContact CG1-CD1 4.15Å; V124-L128 HydrophobicContact CG1-CG 4.4Å; V124-L128 WeakPolarHBondContact O-CG 3.26Å; V124-L128 PolarHBondContact O-N 2.87Å; N125-L128 PolarHBondContact O-N 3.35Å; L128-N130 VanDerWaalsContact C-N 3.34Å; L128-N130 PolarHBondContact O-N 3.38Å; L128-A131 PolarHBondContact O-N 3.12Å; L128-L136 HydrophobicContact CD2-CD2 4.08Å; L128-L139 HydrophobicContact CD2-CD2 3.68Å |
| 129 | E | 85.2 | Confident | 83.1 | Confident | 157 Ų | 157 | 89 Ų | 89 | 73% | 0.734 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.6 | -33.3 | 176.6 | -75.7 | 179.4 | 175.4 | 0 | 0 | 113.1 | N125 | N125-E129 WeakPolarHBondContact O-CB 3.34Å; N125-E129 WeakPolarHBondContact O-CG 3.08Å; N125-E129 PolarHBondContact O-N 3.42Å |
| 130 | N | 88.6 | Confident | 83.8 | Confident | 134 Ų | 134 | 81 Ų | 81 | 72% | 0.717 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -94.1 | -6 | 179.5 | -68.9 | -57.7 | 0 | 0 | 0 | 113.6 | K126 A127 L128 | K126-N130 WeakPolarHBondContact O-CB 3.16Å; K126-N130 PolarHBondContact O-N 3.43Å; K126-N130 PolarHBondContact O-ND2 2.91Å; A127-N130 PolarHBondContact O-N 2.91Å; L128-N130 VanDerWaalsContact C-N 3.34Å; L128-N130 PolarHBondContact O-N 3.38Å |
| 131 | A | 86.8 | Confident | 84.4 | Confident | 29 Ų | 29 | 76.6 Ų | 76.6 | 24% | 0.24 | 41% | 0.41 | C | S | . | . | trans | -67.5 | 143.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A127 L128 E135 L136 | A127-A131 WeakPolarHBondContact O-CB 3.41Å; A127-A131 PolarHBondContact O-N 3.43Å; L128-A131 PolarHBondContact O-N 3.12Å; A131-E135 HydrophobicContact CB-CB 4.47Å; A131-L136 HydrophobicContact CB-CD2 4.03Å; A131-L136 HydrophobicContact CB-CG 4.09Å | ||
| 132 | T | 86.1 | Confident | 84.5 | Confident | 75 Ų | 75 | 76.3 Ų | 76.3 | 46% | 0.46 | 41% | 0.413 | S | S | . | . | trans | -73.4 | 155.8 | 172.4 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | D134 E135 L136 | T132-D134 PolarHBondContact O-N 2.96Å; T132-E135 PolarHBondContact N-OE2 2.93Å; T132-E135 PolarHBondContact O-N 3.08Å; T132-E135 VanDerWaalsContact O-N 3.08Å; T132-E135 VanDerWaalsContact OG1-CG 3.24Å; T132-E135 WeakPolarHBondContact OG1-CG 3.21Å; T132-E135 PolarHBondContact OG1-OE2 3.49Å; T132-L136 PolarHBondContact O-N 3.25Å | ||
| 133 | E | 82.2 | Confident | 84.8 | Confident | 93 Ų | 93 | 75.5 Ų | 75.5 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.2 | -34.6 | -179.8 | -168.4 | 176.3 | -174 | 0 | 0 | 112.3 | L136 V137 G167 F168 | E133-L136 PolarHBondContact O-N 2.98Å; E133-V137 WeakPolarHBondContact O-CG2 3.26Å; E133-V137 PolarHBondContact O-N 3.43Å; E133-G167 VanDerWaalsContact CD-CA 3.4Å; E133-G167 WeakPolarHBondContact OE1-CA 3.4Å; E133-F168 HydrophobicContact CG-CD2 4.23Å; E133-F168 PolarHBondContact OE1-N 3.04Å |
| 134 | D | 81.2 | Confident | 84.8 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 43% | 0.428 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 175.8 | -67.9 | -24.8 | 0 | 0 | 0 | 111.6 | T132 L136 V137 D138 | T132-D134 PolarHBondContact O-N 2.96Å; D134-L136 VanDerWaalsContact C-N 3.32Å; D134-L136 PolarHBondContact O-N 2.87Å; D134-V137 PolarHBondContact O-N 3.06Å; D134-D138 PolarHBondContact O-N 3.14Å |
| 135 | E | 84.9 | Confident | 84.9 | Confident | 111 Ų | 111 | 73.5 Ų | 73.5 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.2 | -35.5 | 176.2 | -70.6 | 165 | 151.3 | 0 | 0 | 111.7 | A131 T132 D138 L139 | A131-E135 HydrophobicContact CB-CB 4.47Å; T132-E135 PolarHBondContact N-OE2 2.93Å; T132-E135 PolarHBondContact O-N 3.08Å; T132-E135 VanDerWaalsContact O-N 3.08Å; T132-E135 VanDerWaalsContact OG1-CG 3.24Å; T132-E135 WeakPolarHBondContact OG1-CG 3.21Å; T132-E135 PolarHBondContact OG1-OE2 3.49Å; E135-D138 PolarHBondContact O-N 2.96Å; E135-L139 WeakPolarHBondContact O-CB 3.46Å; E135-L139 PolarHBondContact O-N 3.41Å |
| 136 | L | 86.6 | Confident | 84.8 | Confident | 53 Ų | 53 | 75.1 Ų | 75.1 | 28% | 0.277 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 174.3 | -69.1 | 175 | 0 | 0 | 0 | 112.1 | L128 A131 T132 E133 D134 L139 A140 F168 | L128-L136 HydrophobicContact CD2-CD2 4.08Å; A131-L136 HydrophobicContact CB-CD2 4.03Å; A131-L136 HydrophobicContact CB-CG 4.09Å; T132-L136 PolarHBondContact O-N 3.25Å; E133-L136 PolarHBondContact O-N 2.98Å; D134-L136 VanDerWaalsContact C-N 3.32Å; D134-L136 PolarHBondContact O-N 2.87Å; L136-L139 PolarHBondContact O-N 2.91Å; L136-A140 VanDerWaalsContact O-CB 3.27Å; L136-A140 WeakPolarHBondContact O-CB 3.42Å; L136-A140 PolarHBondContact O-N 2.89Å; L136-F168 HydrophobicContact CB-CE2 3.81Å; L136-F168 HydrophobicContact CB-CZ 4.15Å |
| 137 | V | 84.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 173.4 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | E133 D134 L139 A140 A141 L149 Q153 L163 F168 | E133-V137 WeakPolarHBondContact O-CG2 3.26Å; E133-V137 PolarHBondContact O-N 3.43Å; D134-V137 PolarHBondContact O-N 3.06Å; V137-L139 PolarHBondContact O-N 2.85Å; V137-A140 PolarHBondContact O-N 3.22Å; V137-A141 PolarHBondContact O-N 3.35Å; V137-L149 HydrophobicContact CB-CD2 4.25Å; V137-L149 HydrophobicContact CG1-CD1 4.4Å; V137-L149 HydrophobicContact CG1-CD2 3.66Å; V137-L149 HydrophobicContact CG2-CD2 4.12Å; V137-Q153 HydrophobicContact CG1-CB 4.13Å; V137-L163 HydrophobicContact CB-CD1 3.95Å; V137-L163 HydrophobicContact CG1-CD1 3.52Å; V137-L163 HydrophobicContact CG2-CD1 4.38Å; V137-F168 HydrophobicContact CG2-CD1 4.26Å; V137-F168 HydrophobicContact CG2-CD2 4.13Å; V137-F168 HydrophobicContact CG2-CE1 4.13Å; V137-F168 HydrophobicContact CG2-CE2 3.99Å; V137-F168 HydrophobicContact CG2-CG 4.27Å; V137-F168 HydrophobicContact CG2-CZ 3.98Å |
| 138 | D | 83.4 | Confident | 84.4 | Confident | 67 Ų | 67 | 76.5 Ų | 76.5 | 36% | 0.358 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 176.7 | -74.6 | -15.4 | 0 | 0 | 0 | 111.4 | D134 E135 A141 V142 S157 | D134-D138 PolarHBondContact O-N 3.14Å; E135-D138 PolarHBondContact O-N 2.96Å; D138-A141 WeakPolarHBondContact O-CB 3.33Å; D138-A141 PolarHBondContact O-N 2.91Å; D138-V142 WeakPolarHBondContact O-CG2 3.26Å; D138-V142 PolarHBondContact O-N 3.46Å; D138-S157 WeakPolarHBondContact OD1-CB 3.35Å; D138-S157 PolarHBondContact OD1-OG 3.31Å |
| 139 | L | 86.2 | Confident | 84.3 | Confident | 73 Ų | 73 | 74.4 Ų | 74.4 | 38% | 0.382 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 174.2 | -178 | 64.8 | 0 | 0 | 0 | 111.4 | L128 E135 L136 V137 A141 V142 L143 | L128-L139 HydrophobicContact CD2-CD2 3.68Å; E135-L139 WeakPolarHBondContact O-CB 3.46Å; E135-L139 PolarHBondContact O-N 3.41Å; L136-L139 PolarHBondContact O-N 2.91Å; V137-L139 PolarHBondContact O-N 2.85Å; L139-A141 VanDerWaalsContact C-N 3.26Å; L139-A141 PolarHBondContact O-N 2.93Å; L139-V142 PolarHBondContact O-N 3.38Å; L139-L143 HydrophobicContact CD1-CD1 4.2Å; L139-L143 HydrophobicContact CD1-CG 4.28Å; L139-L143 HydrophobicContact CG-CD1 3.94Å; L139-L143 HydrophobicContact CG-CG 4.4Å; L139-L143 WeakPolarHBondContact O-CB 3.44Å; L139-L143 WeakPolarHBondContact O-CG 3.47Å; L139-L143 PolarHBondContact O-N 2.95Å |
| 140 | A | 85.5 | Confident | 84.1 | Confident | 6 Ų | 6 | 68.7 Ų | 68.7 | 5% | 0.05 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.9 | -35.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L136 V137 G144 F145 L149 F168 | L136-A140 VanDerWaalsContact O-CB 3.27Å; L136-A140 WeakPolarHBondContact O-CB 3.42Å; L136-A140 PolarHBondContact O-N 2.89Å; V137-A140 PolarHBondContact O-N 3.22Å; A140-G144 PolarHBondContact O-N 3.34Å; A140-G144 VanDerWaalsContact O-N 3.1Å; A140-F145 HydrophobicContact CB-CB 4.23Å; A140-F145 HydrophobicContact CB-CD2 4.16Å; A140-F145 PolarHBondContact O-N 2.91Å; A140-L149 HydrophobicContact CB-CD1 4.02Å; A140-L149 HydrophobicContact CB-CD2 4.4Å; A140-L149 HydrophobicContact CB-CG 4.33Å; A140-F168 HydrophobicContact CB-CE1 3.95Å; A140-F168 HydrophobicContact CB-CZ 4.07Å |
| 141 | A | 84.5 | Confident | 83.7 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 4% | 0.041 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.8 | -44 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V137 D138 L139 G144 L149 F154 S157 | V137-A141 PolarHBondContact O-N 3.35Å; D138-A141 WeakPolarHBondContact O-CB 3.33Å; D138-A141 PolarHBondContact O-N 2.91Å; L139-A141 VanDerWaalsContact C-N 3.26Å; L139-A141 PolarHBondContact O-N 2.93Å; A141-G144 PolarHBondContact O-N 3.41Å; A141-G144 VanDerWaalsContact O-N 3.13Å; A141-L149 HydrophobicContact CB-CD1 3.73Å; A141-F154 HydrophobicContact CB-CD2 4.09Å; A141-S157 VanDerWaalsContact CB-CB 3.44Å |
| 142 | V | 83.5 | Confident | 83.5 | Confident | 121 Ų | 121 | 71.3 Ų | 71.3 | 73% | 0.733 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.7 | -39.9 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | D138 L139 G144 | D138-V142 WeakPolarHBondContact O-CG2 3.26Å; D138-V142 PolarHBondContact O-N 3.46Å; L139-V142 PolarHBondContact O-N 3.38Å; V142-G144 PolarHBondContact O-N 3.39Å |
| 143 | L | 86.8 | Confident | 83.3 | Confident | 105 Ų | 105 | 68 Ų | 68 | 55% | 0.55 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -10.9 | 175.3 | -68.2 | 175 | 0 | 0 | 0 | 113.2 | L139 F145 | L139-L143 HydrophobicContact CD1-CD1 4.2Å; L139-L143 HydrophobicContact CD1-CG 4.28Å; L139-L143 HydrophobicContact CG-CD1 3.94Å; L139-L143 HydrophobicContact CG-CG 4.4Å; L139-L143 WeakPolarHBondContact O-CB 3.44Å; L139-L143 WeakPolarHBondContact O-CG 3.47Å; L139-L143 PolarHBondContact O-N 2.95Å; L143-F145 HydrophobicContact CB-CD2 4.31Å; L143-F145 HydrophobicContact CB-CE2 4.21Å; L143-F145 HydrophobicContact CB-CZ 4.4Å; L143-F145 HydrophobicContact CD1-CE2 3.93Å; L143-F145 HydrophobicContact CD1-CZ 4.38Å |
| 144 | G | 83.7 | Confident | 83.3 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 42% | 0.423 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 24.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A140 A141 V142 T146 | A140-G144 PolarHBondContact O-N 3.34Å; A140-G144 VanDerWaalsContact O-N 3.1Å; A141-G144 PolarHBondContact O-N 3.41Å; A141-G144 VanDerWaalsContact O-N 3.13Å; V142-G144 PolarHBondContact O-N 3.39Å; G144-T146 PolarHBondContact O-N 2.87Å |
| 145 | F | 85.1 | Confident | 83.4 | Confident | 102 Ų | 102 | 66 Ų | 66 | 45% | 0.447 | 37% | 0.372 | S | S | . | . | trans | -75.1 | 58.4 | 174.4 | -63.4 | -28.9 | 0 | 0 | 0 | 112.5 | A140 L143 G147 M148 L149 | A140-F145 HydrophobicContact CB-CB 4.23Å; A140-F145 HydrophobicContact CB-CD2 4.16Å; A140-F145 PolarHBondContact O-N 2.91Å; L143-F145 HydrophobicContact CB-CD2 4.31Å; L143-F145 HydrophobicContact CB-CE2 4.21Å; L143-F145 HydrophobicContact CB-CZ 4.4Å; L143-F145 HydrophobicContact CD1-CE2 3.93Å; L143-F145 HydrophobicContact CD1-CZ 4.38Å; F145-G147 PolarHBondContact O-N 2.86Å; F145-G147 VanDerWaalsContact O-N 3.15Å; F145-M148 PolarHBondContact O-N 3.35Å; F145-M148 VanDerWaalsContact O-N 3.13Å; F145-L149 PolarHBondContact O-N 3Å | ||
| 146 | T | 79.9 | Confident | 83.2 | Confident | 87 Ų | 87 | 61 Ų | 61 | 53% | 0.534 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.6 | -179.1 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | G144 M148 L149 F154 | G144-T146 PolarHBondContact O-N 2.87Å; T146-M148 VanDerWaalsContact C-N 3.34Å; T146-L149 VanDerWaalsContact O-O 3.11Å; T146-F154 HydrophobicContact CG2-CD2 4Å; T146-F154 HydrophobicContact CG2-CE2 3.67Å; T146-F154 HydrophobicContact CG2-CZ 3.99Å |
| 147 | G | 82.3 | Confident | 83 | Confident | 81 Ų | 81 | 59.5 Ų | 59.5 | 84% | 0.835 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -20.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | F145 | F145-G147 PolarHBondContact O-N 2.86Å; F145-G147 VanDerWaalsContact O-N 3.15Å |
| 148 | M | 80.5 | Confident | 82.9 | Confident | 126 Ų | 126 | 64.7 Ų | 64.7 | 62% | 0.621 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -14.8 | 178.6 | -59.3 | -173.5 | -161.8 | 0 | 0 | 112.6 | F145 T146 | F145-M148 PolarHBondContact O-N 3.35Å; F145-M148 VanDerWaalsContact O-N 3.13Å; T146-M148 VanDerWaalsContact C-N 3.34Å |
| 149 | L | 82.5 | Confident | 82.9 | Confident | 16 Ų | 16 | 66.8 Ų | 66.8 | 8% | 0.084 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -106.9 | 142.9 | -176.3 | -64.2 | -178.9 | 0 | 0 | 0 | 111.4 | V137 A140 A141 F145 T146 F154 F168 | V137-L149 HydrophobicContact CB-CD2 4.25Å; V137-L149 HydrophobicContact CG1-CD1 4.4Å; V137-L149 HydrophobicContact CG1-CD2 3.66Å; V137-L149 HydrophobicContact CG2-CD2 4.12Å; A140-L149 HydrophobicContact CB-CD1 4.02Å; A140-L149 HydrophobicContact CB-CD2 4.4Å; A140-L149 HydrophobicContact CB-CG 4.33Å; A141-L149 HydrophobicContact CB-CD1 3.73Å; F145-L149 PolarHBondContact O-N 3Å; T146-L149 VanDerWaalsContact O-O 3.11Å; L149-F154 HydrophobicContact CB-CB 4.47Å; L149-F154 HydrophobicContact CD1-CD2 4.48Å; L149-F168 HydrophobicContact CD2-CD1 3.82Å; L149-F168 HydrophobicContact CD2-CE1 3.64Å |
| 150 | N | 81.2 | Confident | 82.5 | Confident | 37 Ų | 37 | 66.6 Ų | 66.6 | 20% | 0.198 | 39% | 0.394 | C | S | . | . | trans | -72 | 152.4 | 167.6 | -179.7 | 6.7 | 0 | 0 | 0 | 110.5 | V152 Q153 F154 G170 A172 | N150-V152 PolarHBondContact O-N 2.65Å; N150-Q153 HydrophobicContact CB-CB 4.46Å; N150-Q153 HydrophobicContact CB-CG 4.15Å; N150-Q153 WeakPolarHBondContact O-CA 3.26Å; N150-Q153 WeakPolarHBondContact O-CB 3.07Å; N150-Q153 PolarHBondContact O-N 3.33Å; N150-F154 PolarHBondContact O-N 2.96Å; N150-G170 PolarHBondContact ND2-O 3.11Å; N150-A172 WeakPolarHBondContact ND2-CA 3.29Å; N150-A172 WeakPolarHBondContact ND2-CB 3.4Å; N150-A172 PolarHBondContact ND2-N 3.12Å; N150-A172 VanDerWaalsContact OD1-CB 3.3Å; N150-A172 WeakPolarHBondContact OD1-CB 3.41Å | ||
| 151 | Q | 81.4 | Confident | 82.2 | Confident | 133 Ų | 133 | 73.2 Ų | 73.2 | 62% | 0.621 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -54.4 | -40.7 | 177.2 | -68.6 | -68.8 | 17.3 | 0 | 0 | 112.4 | Q153 H155 | Q151-Q153 VanDerWaalsContact C-N 3.25Å; Q151-Q153 PolarHBondContact O-N 2.74Å; Q151-H155 WeakPolarHBondContact O-CB 3.14Å; Q151-H155 PolarHBondContact O-CD2 2.91Å; Q151-H155 PolarHBondContact O-N 3.23Å |
| 152 | V | 81.1 | Confident | 81.6 | Confident | 85 Ų | 85 | 82.4 Ų | 82.4 | 52% | 0.515 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 177.4 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | N150 A156 | N150-V152 PolarHBondContact O-N 2.65Å; V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 3.46Å |
| 153 | Q | 81.7 | Confident | 80.8 | Confident | 7 Ų | 7 | 77.8 Ų | 77.8 | 3% | 0.033 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -73.5 | -49.6 | -178.5 | -66.9 | 166.1 | -22.5 | 0 | 0 | 111.3 | V137 N150 Q151 H155 A156 S157 L163 G167 | V137-Q153 HydrophobicContact CG1-CB 4.13Å; N150-Q153 HydrophobicContact CB-CB 4.46Å; N150-Q153 HydrophobicContact CB-CG 4.15Å; N150-Q153 WeakPolarHBondContact O-CA 3.26Å; N150-Q153 WeakPolarHBondContact O-CB 3.07Å; N150-Q153 PolarHBondContact O-N 3.33Å; Q151-Q153 VanDerWaalsContact C-N 3.25Å; Q151-Q153 PolarHBondContact O-N 2.74Å; Q153-H155 VanDerWaalsContact C-N 3.32Å; Q153-H155 PolarHBondContact O-N 3.04Å; Q153-A156 PolarHBondContact O-N 3.13Å; Q153-A156 VanDerWaalsContact O-N 3.14Å; Q153-S157 PolarHBondContact O-N 3.01Å; Q153-S157 PolarHBondContact O-OG 3.48Å; Q153-L163 HydrophobicContact CB-CD2 3.95Å; Q153-L163 HydrophobicContact CG-CD2 3.79Å; Q153-G167 PolarHBondContact NE2-O 3.05Å |
| 154 | F | 83 | Confident | 79.7 | Confident | 42 Ų | 42 | 81.7 Ų | 81.7 | 18% | 0.184 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -55.9 | -46.4 | 177.6 | -177.8 | -101.8 | 0 | 0 | 0 | 112.1 | A141 T146 L149 N150 L158 | A141-F154 HydrophobicContact CB-CD2 4.09Å; T146-F154 HydrophobicContact CG2-CD2 4Å; T146-F154 HydrophobicContact CG2-CE2 3.67Å; T146-F154 HydrophobicContact CG2-CZ 3.99Å; L149-F154 HydrophobicContact CB-CB 4.47Å; L149-F154 HydrophobicContact CD1-CD2 4.48Å; N150-F154 PolarHBondContact O-N 2.96Å; F154-L158 HydrophobicContact CD1-CD1 3.97Å; F154-L158 HydrophobicContact CE1-CD1 3.41Å; F154-L158 VanDerWaalsContact CE1-CD1 3.41Å; F154-L158 HydrophobicContact CE1-CG 4.42Å; F154-L158 HydrophobicContact CE2-CD1 4.43Å; F154-L158 HydrophobicContact CZ-CD1 3.68Å; F154-L158 HydrophobicContact CZ-CG 4.43Å; F154-L158 WeakPolarHBondContact O-CG 3.35Å; F154-L158 PolarHBondContact O-N 2.71Å |
| 155 | H | 82.8 | Confident | 78.8 | Confident | 88 Ų | 88 | 87.4 Ų | 87.4 | 41% | 0.407 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.9 | -37 | 177 | -81.6 | -79.5 | 0 | 0 | 0 | 113.1 | Q151 Q153 L158 E159 | Q151-H155 WeakPolarHBondContact O-CB 3.14Å; Q151-H155 PolarHBondContact O-CD2 2.91Å; Q151-H155 PolarHBondContact O-N 3.23Å; Q153-H155 VanDerWaalsContact C-N 3.32Å; Q153-H155 PolarHBondContact O-N 3.04Å; H155-L158 PolarHBondContact O-N 3.24Å; H155-E159 WeakPolarHBondContact O-CB 3.48Å; H155-E159 WeakPolarHBondContact O-CG 3.45Å; H155-E159 PolarHBondContact O-N 3.05Å |
| 156 | A | 82.1 | Confident | 77.8 | Confident | 5 Ų | 5 | 84.1 Ų | 84.1 | 4% | 0.041 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V152 Q153 L158 E159 G160 R161 L163 | V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 3.46Å; Q153-A156 PolarHBondContact O-N 3.13Å; Q153-A156 VanDerWaalsContact O-N 3.14Å; A156-L158 PolarHBondContact O-N 2.89Å; A156-E159 PolarHBondContact O-N 3.26Å; A156-G160 PolarHBondContact O-N 2.88Å; A156-R161 HydrophobicContact CB-CB 4.26Å; A156-R161 PolarHBondContact O-N 3.17Å; A156-L163 HydrophobicContact CB-CD2 3.63Å |
| 157 | S | 82.2 | Confident | 77.4 | Confident | 23 Ų | 23 | 80.1 Ų | 80.1 | 16% | 0.161 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 176.8 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | D138 A141 Q153 E159 G160 | D138-S157 WeakPolarHBondContact OD1-CB 3.35Å; D138-S157 PolarHBondContact OD1-OG 3.31Å; A141-S157 VanDerWaalsContact CB-CB 3.44Å; Q153-S157 PolarHBondContact O-N 3.01Å; Q153-S157 PolarHBondContact O-OG 3.48Å; S157-E159 PolarHBondContact O-N 2.86Å; S157-G160 PolarHBondContact O-N 3.31Å |
| 158 | L | 81.8 | Confident | 77 | Confident | 108 Ų | 108 | 80 Ų | 80 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.5 | -33.8 | 177.3 | -72.3 | 177.7 | 0 | 0 | 0 | 113.5 | F154 H155 A156 G160 | F154-L158 HydrophobicContact CD1-CD1 3.97Å; F154-L158 HydrophobicContact CE1-CD1 3.41Å; F154-L158 VanDerWaalsContact CE1-CD1 3.41Å; F154-L158 HydrophobicContact CE1-CG 4.42Å; F154-L158 HydrophobicContact CE2-CD1 4.43Å; F154-L158 HydrophobicContact CZ-CD1 3.68Å; F154-L158 HydrophobicContact CZ-CG 4.43Å; F154-L158 WeakPolarHBondContact O-CG 3.35Å; F154-L158 PolarHBondContact O-N 2.71Å; H155-L158 PolarHBondContact O-N 3.24Å; A156-L158 PolarHBondContact O-N 2.89Å; L158-G160 VanDerWaalsContact C-N 3.33Å |
| 159 | E | 83.5 | Confident | 76.8 | Confident | 112 Ų | 112 | 78.9 Ų | 78.9 | 52% | 0.523 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -87 | -3 | 179.4 | -68.5 | 173.8 | -168.6 | 0 | 0 | 113 | H155 A156 S157 R161 | H155-E159 WeakPolarHBondContact O-CB 3.48Å; H155-E159 WeakPolarHBondContact O-CG 3.45Å; H155-E159 PolarHBondContact O-N 3.05Å; A156-E159 PolarHBondContact O-N 3.26Å; S157-E159 PolarHBondContact O-N 2.86Å; E159-R161 HydrophobicContact CB-CG 4.2Å; E159-R161 PolarHBondContact O-N 3.34Å; E159-R161 IonicContact OE1-NH2 3.33Å; E159-R161 IonicContact OE2-CZ 3.29Å; E159-R161 IonicContact OE2-NE 2.91Å; E159-R161 PolarHBondContact OE2-NE 3.49Å; E159-R161 IonicContact OE2-NH2 3.21Å; E159-R161 PolarHBondContact OE2-NH2 3.01Å |
| 160 | G | 78.2 | Confident | 76.4 | Confident | 69 Ų | 69 | 78.7 Ų | 78.7 | 71% | 0.711 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 24.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A156 S157 L158 | A156-G160 PolarHBondContact O-N 2.88Å; S157-G160 PolarHBondContact O-N 3.31Å; L158-G160 VanDerWaalsContact C-N 3.33Å |
| 161 | R | 77.7 | Confident | 76 | Confident | 145 Ų | 145 | 83 Ų | 83 | 55% | 0.547 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 135.4 | 175.2 | -70.2 | -166.5 | -75 | 155.1 | -6.2 | 109.5 | A156 E159 L163 | A156-R161 HydrophobicContact CB-CB 4.26Å; A156-R161 PolarHBondContact O-N 3.17Å; E159-R161 HydrophobicContact CB-CG 4.2Å; E159-R161 PolarHBondContact O-N 3.34Å; E159-R161 IonicContact OE1-NH2 3.33Å; E159-R161 IonicContact OE2-CZ 3.29Å; E159-R161 IonicContact OE2-NE 2.91Å; E159-R161 PolarHBondContact OE2-NE 3.49Å; E159-R161 IonicContact OE2-NH2 3.21Å; E159-R161 PolarHBondContact OE2-NH2 3.01Å; R161-L163 PolarHBondContact O-N 2.89Å |
| 162 | K | 72.4 | Confident | 75.5 | Confident | 197 Ų | 197 | 79.3 Ų | 79.3 | 86% | 0.857 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 136.3 | 172 | -67 | -169.4 | 176.6 | -169.1 | 0 | 110.3 | E164 | K162-E164 PolarHBondContact O-N 3.47Š|
| 163 | L | 66.5 | Low | 75.2 | Confident | 24 Ų | 24 | 83.7 Ų | 83.7 | 13% | 0.126 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 120.7 | 172.9 | -64.6 | 171.3 | 0 | 0 | 0 | 109.1 | V137 Q153 A156 R161 M165 | V137-L163 HydrophobicContact CB-CD1 3.95Å; V137-L163 HydrophobicContact CG1-CD1 3.52Å; V137-L163 HydrophobicContact CG2-CD1 4.38Å; Q153-L163 HydrophobicContact CB-CD2 3.95Å; Q153-L163 HydrophobicContact CG-CD2 3.79Å; A156-L163 HydrophobicContact CB-CD2 3.63Å; R161-L163 PolarHBondContact O-N 2.89Å; L163-M165 VanDerWaalsContact C-N 3.29Å; L163-M165 PolarHBondContact O-N 3.05Å |
| 164 | E | 64.9 | Low | 74.9 | Confident | 187 Ų | 187 | 87.8 Ų | 87.8 | 87% | 0.874 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -70.6 | -28.3 | -176.4 | -71.5 | -169.2 | 163.3 | 0 | 0 | 112.1 | K162 | K162-E164 PolarHBondContact O-N 3.47Š|
| 165 | M | 63.3 | Low | 74.7 | Confident | 162 Ų | 162 | 93 Ų | 93 | 80% | 0.798 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -166 | 141.3 | 172.4 | -66.2 | -62.2 | -78 | 0 | 0 | 110.9 | L163 | L163-M165 VanDerWaalsContact C-N 3.29Å; L163-M165 PolarHBondContact O-N 3.05Å |
| 166 | G | 65.2 | Low | 74.5 | Confident | 33 Ų | 33 | 99.4 Ų | 99.4 | 34% | 0.34 | 53% | 0.528 | S | S | . | . | trans | 123.3 | -2.3 | 141.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | S169 G170 | G166-S169 CarbonylContact O-C 3.31Å; G166-S169 VanDerWaalsContact O-C 3.31Å; G166-S169 PolarHBondContact O-N 3.17Å; G166-S169 PolarHBondContact O-OG 3.12Å; G166-G170 WeakPolarHBondContact O-CA 3.44Å; G166-G170 PolarHBondContact O-N 3.44Å | ||
| 167 | G | 70.2 | Confident | 74.4 | Confident | 3 Ų | 3 | 104.8 Ų | 104.8 | 3% | 0.031 | 56% | 0.562 | C | S | . | * | G | 310 helix | trans | 52 | -155.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E133 Q153 S169 G170 | E133-G167 VanDerWaalsContact CD-CA 3.4Å; E133-G167 WeakPolarHBondContact OE1-CA 3.4Å; Q153-G167 PolarHBondContact NE2-O 3.05Å; G167-S169 PolarHBondContact O-N 3.15Å; G167-S169 VanDerWaalsContact O-N 3.12Å; G167-G170 PolarHBondContact O-N 2.69Å; G167-G170 VanDerWaalsContact O-N 3.1Å |
| 168 | F | 75.2 | Confident | 74.5 | Confident | 79 Ų | 79 | 111.7 Ų | 111.7 | 35% | 0.346 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -65.3 | -20 | 178.5 | -72.5 | -77.9 | 0 | 0 | 0 | 113.7 | E133 L136 V137 A140 L149 G170 | E133-F168 HydrophobicContact CG-CD2 4.23Å; E133-F168 PolarHBondContact OE1-N 3.04Å; L136-F168 HydrophobicContact CB-CE2 3.81Å; L136-F168 HydrophobicContact CB-CZ 4.15Å; V137-F168 HydrophobicContact CG2-CD1 4.26Å; V137-F168 HydrophobicContact CG2-CD2 4.13Å; V137-F168 HydrophobicContact CG2-CE1 4.13Å; V137-F168 HydrophobicContact CG2-CE2 3.99Å; V137-F168 HydrophobicContact CG2-CG 4.27Å; V137-F168 HydrophobicContact CG2-CZ 3.98Å; A140-F168 HydrophobicContact CB-CE1 3.95Å; A140-F168 HydrophobicContact CB-CZ 4.07Å; L149-F168 HydrophobicContact CD2-CD1 3.82Å; L149-F168 HydrophobicContact CD2-CE1 3.64Å; F168-G170 VanDerWaalsContact C-N 3.31Å |
| 169 | S | 76.7 | Confident | 74.6 | Confident | 101 Ų | 101 | 113.2 Ų | 113.2 | 71% | 0.706 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -90.3 | 8.7 | 178.1 | 66.3 | 0 | 0 | 0 | 0 | 113.9 | G166 G167 V171 | G166-S169 CarbonylContact O-C 3.31Å; G166-S169 VanDerWaalsContact O-C 3.31Å; G166-S169 PolarHBondContact O-N 3.17Å; G166-S169 PolarHBondContact O-OG 3.12Å; G167-S169 PolarHBondContact O-N 3.15Å; G167-S169 VanDerWaalsContact O-N 3.12Å; S169-V171 PolarHBondContact O-N 3.39Å |
| 170 | G | 72.5 | Confident | 74.5 | Confident | 13 Ų | 13 | 115.4 Ų | 115.4 | 13% | 0.134 | 62% | 0.615 | C | S | . | * | trans | -70.4 | 114.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N150 G166 G167 F168 A172 | N150-G170 PolarHBondContact ND2-O 3.11Å; G166-G170 WeakPolarHBondContact O-CA 3.44Å; G166-G170 PolarHBondContact O-N 3.44Å; G167-G170 PolarHBondContact O-N 2.69Å; G167-G170 VanDerWaalsContact O-N 3.1Å; F168-G170 VanDerWaalsContact C-N 3.31Å; G170-A172 PolarHBondContact O-N 3.17Å | ||
| 171 | V | 73.1 | Confident | 74.7 | Confident | 126 Ų | 126 | 117.6 Ų | 117.6 | 76% | 0.764 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 128.7 | -179.9 | -173.2 | 0 | 0 | 0 | 0 | 111 | S169 K173 | S169-V171 PolarHBondContact O-N 3.39Å; V171-K173 PolarHBondContact O-N 2.74Å |
| 172 | A | 71.2 | Confident | 74.9 | Confident | 56 Ų | 56 | 118.4 Ų | 118.4 | 46% | 0.463 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -63 | 119.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | N150 G170 | N150-A172 WeakPolarHBondContact ND2-CA 3.29Å; N150-A172 WeakPolarHBondContact ND2-CB 3.4Å; N150-A172 PolarHBondContact ND2-N 3.12Å; N150-A172 VanDerWaalsContact OD1-CB 3.3Å; N150-A172 WeakPolarHBondContact OD1-CB 3.41Å; G170-A172 PolarHBondContact O-N 3.17Å |
| 173 | K | 75.5 | Confident | 75.4 | Confident | 177 Ų | 177 | 117 Ų | 117 | 77% | 0.77 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 138.4 | 168.5 | -65 | -180 | -175.5 | 170.8 | 0 | 108.7 | V171 | V171-K173 PolarHBondContact O-N 2.74Š|
| 174 | A | 75.9 | Confident | 76.2 | Confident | 94 Ų | 94 | 121.3 Ų | 121.3 | 78% | 0.777 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 137.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | R176 | A174-R176 PolarHBondContact O-N 2.83Š|
| 175 | E | 77 | Confident | 77.1 | Confident | 151 Ų | 151 | 117.9 Ų | 117.9 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 125.6 | 174.2 | -169.7 | 175.3 | 177 | 0 | 0 | 108.6 | K178 | E175-K178 WeakPolarHBondContact OE1-CE 3.47Å; E175-K178 IonicContact OE1-NZ 3.05Å |
| 176 | R | 79.7 | Confident | 78.3 | Confident | 222 Ų | 222 | 112.6 Ų | 112.6 | 84% | 0.838 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 130.8 | 175.9 | -69.1 | -174.2 | 179.3 | -170.7 | 0.3 | 107.8 | A174 K178 | A174-R176 PolarHBondContact O-N 2.83Å; R176-K178 PolarHBondContact O-N 2.88Å; R176-K178 VanDerWaalsContact O-N 3.11Å |
| 177 | P | 80.7 | Confident | 79.4 | Confident | 119 Ų | 119 | 119.8 Ų | 119.8 | 77% | 0.773 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 123.1 | 175.7 | -23 | 31.6 | 0 | 0 | 0 | 109.5 | V179 | P177-V179 PolarHBondContact O-N 2.81Å; P177-V179 VanDerWaalsContact O-N 3.08Å |
| 178 | K | 83.9 | Confident | 80.3 | Confident | 168 Ų | 168 | 121.9 Ų | 121.9 | 73% | 0.73 | 67% | 0.666 | S | S | * | * | trans | -64.5 | 112.1 | 172.5 | -67.4 | 172.8 | -172.8 | 164.9 | 0 | 106.5 | E175 R176 M180 | E175-K178 WeakPolarHBondContact OE1-CE 3.47Å; E175-K178 IonicContact OE1-NZ 3.05Å; R176-K178 PolarHBondContact O-N 2.88Å; R176-K178 VanDerWaalsContact O-N 3.11Å; K178-M180 VanDerWaalsContact C-N 3.35Å; K178-M180 PolarHBondContact O-N 3.46Å | ||
| 179 | V | 83.1 | Confident | 81.1 | Confident | 140 Ų | 140 | 123 Ų | 123 | 85% | 0.848 | 68% | 0.675 | S | S | * | * | trans | -66.2 | 101.6 | 173.4 | -177.8 | 0 | 0 | 0 | 0 | 106.3 | P177 | P177-V179 PolarHBondContact O-N 2.81Å; P177-V179 VanDerWaalsContact O-N 3.08Å | ||
| 180 | M | 82 | Confident | 81.8 | Confident | 157 Ų | 157 | 119.3 Ų | 119.3 | 77% | 0.773 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 135 | 171.9 | -70.1 | -169.8 | 67.2 | 0 | 0 | 107.9 | K178 | K178-M180 VanDerWaalsContact C-N 3.35Å; K178-M180 PolarHBondContact O-N 3.46Å |
| 181 | P | 83.1 | Confident | 82.8 | Confident | 115 Ų | 115 | 122.2 Ų | 122.2 | 75% | 0.747 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -60 | 145.2 | 171.4 | 27.5 | -33.5 | 0 | 0 | 0 | 109.2 | E183 | P181-E183 PolarHBondContact O-N 3.32Š|
| 182 | D | 81 | Confident | 83.8 | Confident | 162 Ų | 162 | 117.1 Ų | 117.1 | 87% | 0.866 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 137.2 | 172.7 | -70.1 | -37.1 | 0 | 0 | 0 | 109.7 | ||
| 183 | E | 82.5 | Confident | 84.9 | Confident | 169 Ų | 169 | 115.2 Ų | 115.2 | 79% | 0.79 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 145.5 | 176 | -68.5 | -178.5 | 174.1 | 0 | 0 | 110.6 | P181 | P181-E183 PolarHBondContact O-N 3.32Š|
| 184 | P | 84.4 | Confident | 85.8 | Confident | 114 Ų | 114 | 106.8 Ų | 106.8 | 74% | 0.74 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 144.2 | 178.4 | 25.2 | -33.7 | 0 | 0 | 0 | 110.8 | ||
| 185 | P | 84.1 | Confident | 86.7 | Confident | 114 Ų | 114 | 108.5 Ų | 108.5 | 74% | 0.74 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 145.9 | 178.2 | -24.4 | 33.6 | 0 | 0 | 0 | 112.4 | M187 | P185-M187 WeakPolarHBondContact O-CG 3.24Å; P185-M187 PolarHBondContact O-N 3.34Å |
| 186 | N | 87.9 | Confident | 87.5 | Confident | 52 Ų | 52 | 105.8 Ų | 105.8 | 28% | 0.278 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 119.4 | 172.6 | -176.4 | -7.1 | 0 | 0 | 0 | 109.7 | T188 N208 N210 I212 | N186-T188 VanDerWaalsContact C-N 3.34Å; N186-T188 VanDerWaalsContact OD1-CB 3.3Å; N186-T188 WeakPolarHBondContact OD1-CB 3.38Å; N186-T188 PolarHBondContact OD1-N 3.22Å; N186-T188 PolarHBondContact OD1-OG1 2.92Å; N186-N208 PolarHBondContact ND2-O 2.8Å; N186-N208 VanDerWaalsContact ND2-O 3.13Å; N186-N210 WeakPolarHBondContact CB-O 3.43Å; N186-N210 PolarHBondContact ND2-O 3.13Å; N186-I212 HydrophobicContact CB-CD1 4.46Å; N186-I212 HydrophobicContact CB-CG1 4.01Å |
| 187 | M | 87 | Confident | 88.2 | Confident | 183 Ų | 183 | 95.3 Ų | 95.3 | 90% | 0.901 | 52% | 0.515 | S | S | * | . | trans | -92.6 | 12.9 | -176.1 | -58.3 | -176.9 | 68.7 | 0 | 0 | 113.4 | P185 D189 | P185-M187 WeakPolarHBondContact O-CG 3.24Å; P185-M187 PolarHBondContact O-N 3.34Å; M187-D189 PolarHBondContact O-N 2.77Å | ||
| 188 | T | 90.3 | Very high | 88.9 | Confident | 47 Ų | 47 | 95.4 Ų | 95.4 | 29% | 0.288 | 51% | 0.505 | S | S | . | . | trans | -63.2 | 123.4 | -179.4 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | N186 V190 L207 N208 L209 | N186-T188 VanDerWaalsContact C-N 3.34Å; N186-T188 VanDerWaalsContact OD1-CB 3.3Å; N186-T188 WeakPolarHBondContact OD1-CB 3.38Å; N186-T188 PolarHBondContact OD1-N 3.22Å; N186-T188 PolarHBondContact OD1-OG1 2.92Å; T188-V190 PolarHBondContact O-N 2.87Å; T188-V190 VanDerWaalsContact O-N 3.12Å; T188-L207 HydrophobicContact CG2-CD1 4.2Å; T188-N208 PolarHBondContact OG1-O 3.48Å; T188-L209 HydrophobicContact CG2-CD2 3.96Å | ||
| 189 | D | 91.3 | Very high | 89.4 | Confident | 102 Ų | 102 | 91.3 Ų | 91.3 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | trans | -72.5 | 103.3 | 175.2 | 177.7 | 10.6 | 0 | 0 | 0 | 110.4 | M187 E191 G192 S193 | M187-D189 PolarHBondContact O-N 2.77Å; D189-E191 PolarHBondContact OD1-N 3.38Å; D189-E191 VanDerWaalsContact OD1-N 3.13Å; D189-G192 VanDerWaalsContact CG-N 3.29Å; D189-G192 PolarHBondContact OD1-N 3.47Å; D189-G192 VanDerWaalsContact OD2-CA 3.28Å; D189-G192 WeakPolarHBondContact OD2-CA 3.28Å; D189-G192 PolarHBondContact OD2-N 3.29Å; D189-S193 VanDerWaalsContact O-CB 3.24Å; D189-S193 WeakPolarHBondContact O-CB 3.41Å; D189-S193 PolarHBondContact O-N 2.79Å; D189-S193 PolarHBondContact O-OG 2.76Å | ||
| 190 | V | 92.5 | Very high | 89.9 | Confident | 25 Ų | 25 | 87.2 Ų | 87.2 | 15% | 0.152 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | -178.8 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | T188 S193 I194 L209 I212 V219 | T188-V190 PolarHBondContact O-N 2.87Å; T188-V190 VanDerWaalsContact O-N 3.12Å; V190-S193 PolarHBondContact O-N 2.9Å; V190-I194 HydrophobicContact CG1-CD1 4.3Å; V190-I194 WeakPolarHBondContact O-CG1 3.31Å; V190-I194 PolarHBondContact O-N 3.11Å; V190-L209 HydrophobicContact CG2-CD2 4.23Å; V190-I212 HydrophobicContact CG2-CD1 3.9Å; V190-I212 HydrophobicContact CG2-CG2 4.25Å; V190-V219 HydrophobicContact CG1-CG1 3.59Å |
| 191 | E | 93.3 | Very high | 90.3 | Very high | 74 Ų | 74 | 81 Ų | 81 | 35% | 0.346 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -74.6 | -41.1 | -174.2 | -167.4 | 63.2 | -151.5 | 0 | 0 | 110.9 | D189 S193 I194 K195 R222 | D189-E191 PolarHBondContact OD1-N 3.38Å; D189-E191 VanDerWaalsContact OD1-N 3.13Å; E191-S193 VanDerWaalsContact C-N 3.3Å; E191-S193 PolarHBondContact O-N 3.27Å; E191-I194 PolarHBondContact O-N 3.11Å; E191-K195 WeakPolarHBondContact O-CG 3.5Å; E191-K195 PolarHBondContact O-N 3.4Å; E191-K195 VanDerWaalsContact O-N 3.12Å; E191-R222 VanDerWaalsContact CD-NH1 3.28Å; E191-R222 IonicContact OE1-CZ 3.64Å; E191-R222 IonicContact OE1-NH1 3.49Å; E191-R222 PolarHBondContact OE1-NH1 2.93Å; E191-R222 IonicContact OE1-NH2 2.74Å; E191-R222 IonicContact OE2-CZ 2.96Å; E191-R222 IonicContact OE2-NH1 2.88Å; E191-R222 PolarHBondContact OE2-NH1 3.36Å; E191-R222 IonicContact OE2-NH2 3.65Å; E191-R222 PolarHBondContact OE2-NH2 3.03Å |
| 192 | G | 93 | Very high | 90.7 | Very high | 19 Ų | 19 | 82.8 Ų | 82.8 | 20% | 0.196 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.5 | -37.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D189 K195 K196 | D189-G192 VanDerWaalsContact CG-N 3.29Å; D189-G192 PolarHBondContact OD1-N 3.47Å; D189-G192 VanDerWaalsContact OD2-CA 3.28Å; D189-G192 WeakPolarHBondContact OD2-CA 3.28Å; D189-G192 PolarHBondContact OD2-N 3.29Å; G192-K195 PolarHBondContact O-N 2.84Å; G192-K196 WeakPolarHBondContact O-CG 3.33Å; G192-K196 PolarHBondContact O-N 3.13Å |
| 193 | S | 93.8 | Very high | 91.1 | Very high | 15 Ų | 15 | 82.4 Ų | 82.4 | 11% | 0.105 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 176.1 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | D189 V190 E191 K195 K196 L197 L207 | D189-S193 VanDerWaalsContact O-CB 3.24Å; D189-S193 WeakPolarHBondContact O-CB 3.41Å; D189-S193 PolarHBondContact O-N 2.79Å; D189-S193 PolarHBondContact O-OG 2.76Å; V190-S193 PolarHBondContact O-N 2.9Å; E191-S193 VanDerWaalsContact C-N 3.3Å; E191-S193 PolarHBondContact O-N 3.27Å; S193-K195 PolarHBondContact O-N 3.2Å; S193-K196 PolarHBondContact O-N 3.3Å; S193-L197 WeakPolarHBondContact O-CG 3.48Å; S193-L197 PolarHBondContact O-N 2.68Å; S193-L207 WeakPolarHBondContact OG-CD1 3.27Å |
| 194 | I | 95.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 175.9 | -69.2 | 168.4 | 0 | 0 | 0 | 110.7 | V190 E191 K196 L197 E198 V219 R222 L223 A226 | V190-I194 HydrophobicContact CG1-CD1 4.3Å; V190-I194 WeakPolarHBondContact O-CG1 3.31Å; V190-I194 PolarHBondContact O-N 3.11Å; E191-I194 PolarHBondContact O-N 3.11Å; I194-K196 VanDerWaalsContact C-N 3.3Å; I194-K196 PolarHBondContact O-N 3.25Å; I194-L197 WeakPolarHBondContact O-CA 3.36Å; I194-L197 WeakPolarHBondContact O-CB 3.28Å; I194-L197 PolarHBondContact O-N 3.01Å; I194-E198 HydrophobicContact CG2-CG 4.36Å; I194-E198 WeakPolarHBondContact O-CG 3.33Å; I194-E198 PolarHBondContact O-N 3.12Å; I194-V219 HydrophobicContact CD1-CG1 3.68Å; I194-R222 HydrophobicContact CG2-CB 4.47Å; I194-L223 HydrophobicContact CD1-CB 4.3Å; I194-L223 HydrophobicContact CG1-CB 4.29Å; I194-L223 HydrophobicContact CG1-CD1 3.95Å; I194-A226 HydrophobicContact CG2-CB 4.49Å |
| 195 | K | 95.2 | Very high | 92 | Very high | 129 Ų | 129 | 73 Ų | 73 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60 | -39.5 | 176.5 | -71.1 | 176.2 | -179.3 | 175.3 | 0 | 112.6 | E191 G192 S193 L197 E198 S199 | E191-K195 WeakPolarHBondContact O-CG 3.5Å; E191-K195 PolarHBondContact O-N 3.4Å; E191-K195 VanDerWaalsContact O-N 3.12Å; G192-K195 PolarHBondContact O-N 2.84Å; S193-K195 PolarHBondContact O-N 3.2Å; K195-L197 VanDerWaalsContact C-N 3.33Å; K195-E198 PolarHBondContact O-N 3.29Å; K195-S199 PolarHBondContact O-N 3.42Å; K195-S199 PolarHBondContact O-OG 2.98Å |
| 196 | K | 93.7 | Very high | 92.6 | Very high | 95 Ų | 95 | 75.2 Ų | 75.2 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.1 | -34.5 | 174.5 | -74 | -176.2 | 178.7 | -163.5 | 0 | 112.6 | G192 S193 I194 S199 N200 S201 L204 | G192-K196 WeakPolarHBondContact O-CG 3.33Å; G192-K196 PolarHBondContact O-N 3.13Å; S193-K196 PolarHBondContact O-N 3.3Å; I194-K196 VanDerWaalsContact C-N 3.3Å; I194-K196 PolarHBondContact O-N 3.25Å; K196-S199 PolarHBondContact O-OG 3.13Å; K196-N200 PolarHBondContact O-N 3.29Å; K196-S201 WeakPolarHBondContact O-CB 3.43Å; K196-S201 PolarHBondContact O-N 2.99Å; K196-L204 HydrophobicContact CB-CD2 3.86Å |
| 197 | L | 94.5 | Very high | 93 | Very high | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69 | -42.1 | 174 | -70.1 | 172.2 | 0 | 0 | 0 | 111.6 | S193 I194 K195 S199 N200 L204 L207 L223 A226 L227 N230 L233 | S193-L197 WeakPolarHBondContact O-CG 3.48Å; S193-L197 PolarHBondContact O-N 2.68Å; I194-L197 WeakPolarHBondContact O-CA 3.36Å; I194-L197 WeakPolarHBondContact O-CB 3.28Å; I194-L197 PolarHBondContact O-N 3.01Å; K195-L197 VanDerWaalsContact C-N 3.33Å; L197-S199 VanDerWaalsContact C-N 3.34Å; L197-N200 PolarHBondContact O-N 3.37Å; L197-N200 VanDerWaalsContact O-N 3.12Å; L197-L204 HydrophobicContact CD2-CD2 3.65Å; L197-L204 HydrophobicContact CD2-CG 4.34Å; L197-L204 HydrophobicContact CG-CD2 3.68Å; L197-L207 HydrophobicContact CD1-CD2 3.81Å; L197-L223 HydrophobicContact CD1-CD1 3.43Å; L197-L223 VanDerWaalsContact CD1-CD1 3.43Å; L197-A226 HydrophobicContact CB-CB 3.92Å; L197-L227 HydrophobicContact CD1-CD2 3.91Å; L197-L227 HydrophobicContact CD1-CG 4.13Å; L197-L227 HydrophobicContact CD2-CD2 3.87Å; L197-L227 HydrophobicContact CG-CD2 4.47Å; L197-N230 WeakPolarHBondContact CA-ND2 3.48Å; L197-N230 PolarHBondContact O-ND2 2.78Å; L197-L233 HydrophobicContact CD2-CB 3.85Å; L197-L233 HydrophobicContact CD2-CD1 4.22Å; L197-L233 HydrophobicContact CD2-CD2 4.11Å; L197-L233 HydrophobicContact CD2-CG 4.27Å |
| 198 | E | 94.6 | Very high | 93.4 | Very high | 120 Ų | 120 | 67.9 Ų | 67.9 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.5 | -37.9 | 176.3 | -70.7 | 175.6 | 162.8 | 0 | 0 | 112.3 | I194 K195 N200 A226 | I194-E198 HydrophobicContact CG2-CG 4.36Å; I194-E198 WeakPolarHBondContact O-CG 3.33Å; I194-E198 PolarHBondContact O-N 3.12Å; K195-E198 PolarHBondContact O-N 3.29Å; E198-N200 PolarHBondContact O-N 2.57Å; E198-A226 HydrophobicContact CG-CB 3.67Å |
| 199 | S | 94.7 | Very high | 93.6 | Very high | 83 Ų | 83 | 65.7 Ų | 65.7 | 58% | 0.58 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 2.1 | 175 | 69 | 0 | 0 | 0 | 0 | 114.2 | K195 K196 L197 S201 | K195-S199 PolarHBondContact O-N 3.42Å; K195-S199 PolarHBondContact O-OG 2.98Å; K196-S199 PolarHBondContact O-OG 3.13Å; L197-S199 VanDerWaalsContact C-N 3.34Å; S199-S201 VanDerWaalsContact C-N 3.26Å; S199-S201 PolarHBondContact O-N 3.06Å |
| 200 | N | 92.9 | Very high | 93.8 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 42.4 | -178.4 | -157.1 | 34.8 | 0 | 0 | 0 | 113.5 | K196 L197 E198 E202 N230 T231 Q232 | K196-N200 PolarHBondContact O-N 3.29Å; L197-N200 PolarHBondContact O-N 3.37Å; L197-N200 VanDerWaalsContact O-N 3.12Å; E198-N200 PolarHBondContact O-N 2.57Å; N200-E202 PolarHBondContact O-N 2.96Å; N200-N230 PolarHBondContact OD1-ND2 2.81Å; N200-T231 PolarHBondContact ND2-OG1 3.19Å; N200-T231 PolarHBondContact OD1-N 2.85Å; N200-T231 PolarHBondContact OD1-OG1 2.74Å; N200-Q232 WeakPolarHBondContact OD1-CG 3.15Å |
| 201 | S | 92.4 | Very high | 93.7 | Very high | 26 Ų | 26 | 66.2 Ų | 66.2 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | trans | -60.3 | 127.5 | -177.8 | -178.9 | 0 | 0 | 0 | 0 | 112 | K196 S199 E203 L204 Q232 | K196-S201 WeakPolarHBondContact O-CB 3.43Å; K196-S201 PolarHBondContact O-N 2.99Å; S199-S201 VanDerWaalsContact C-N 3.26Å; S199-S201 PolarHBondContact O-N 3.06Å; S201-E203 PolarHBondContact O-N 3.17Å; S201-L204 PolarHBondContact O-N 3.37Å; S201-Q232 WeakPolarHBondContact O-CB 3.32Å | ||
| 202 | E | 90.3 | Very high | 93.6 | Very high | 152 Ų | 152 | 63.4 Ų | 63.4 | 71% | 0.71 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -22.1 | 178.6 | -60.8 | -174.8 | 169.1 | 0 | 0 | 113.2 | N200 | N200-E202 PolarHBondContact O-N 2.96Š|
| 203 | E | 89.7 | Confident | 93.2 | Very high | 155 Ų | 155 | 68 Ų | 68 | 72% | 0.724 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -32.1 | 179.7 | -62 | -178.6 | 169.5 | 0 | 0 | 112.2 | S201 T205 | S201-E203 PolarHBondContact O-N 3.17Å; E203-T205 PolarHBondContact O-N 3.05Å |
| 204 | L | 91.9 | Very high | 92.6 | Very high | 23 Ų | 23 | 73.5 Ų | 73.5 | 12% | 0.12 | 37% | 0.367 | C | S | . | . | trans | -88.8 | 77.6 | -172.7 | -170.7 | 63.3 | 0 | 0 | 0 | 110.7 | K196 L197 S201 L207 L233 | K196-L204 HydrophobicContact CB-CD2 3.86Å; L197-L204 HydrophobicContact CD2-CD2 3.65Å; L197-L204 HydrophobicContact CD2-CG 4.34Å; L197-L204 HydrophobicContact CG-CD2 3.68Å; S201-L204 PolarHBondContact O-N 3.37Å; L204-L207 HydrophobicContact CD1-CD1 4.46Å; L204-L233 HydrophobicContact CG-CD1 4.04Å; L204-L233 WeakPolarHBondContact O-CD1 3.48Å | ||
| 205 | T | 94.4 | Very high | 92.4 | Very high | 62 Ų | 62 | 74.2 Ų | 74.2 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -89.6 | -24.3 | 177.3 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | E203 T234 E235 | E203-T205 PolarHBondContact O-N 3.05Å; T205-T234 PolarHBondContact O-N 3.2Å; T205-T234 PolarHBondContact O-OG1 3.27Å; T205-E235 PolarHBondContact O-N 2.92Å |
| 206 | R | 96 | Very high | 92.3 | Very high | 161 Ų | 161 | 70.5 Ų | 70.5 | 61% | 0.608 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 131.2 | -180 | -55.9 | -174.9 | 177.1 | -168.4 | -15 | 110.3 | E235 | R206-E235 WeakPolarHBondContact CA-O 3.46Å; R206-E235 HydrophobicContact CB-CB 4.24Å; R206-E235 WeakPolarHBondContact CD-OE2 3.24Å; R206-E235 HydrophobicContact CG-CB 3.98Å; R206-E235 HydrophobicContact CG-CG 3.98Å; R206-E235 IonicContact CZ-OE1 3.67Å; R206-E235 IonicContact CZ-OE2 2.68Å; R206-E235 VanDerWaalsContact NE-CD 3.27Å; R206-E235 IonicContact NE-OE1 3.7Å; R206-E235 PolarHBondContact NE-OE1 2.83Å; R206-E235 IonicContact NE-OE2 2.68Å; R206-E235 PolarHBondContact NE-OE2 3.14Å; R206-E235 IonicContact NH1-OE1 3.22Å; R206-E235 IonicContact NH1-OE2 3.02Å; R206-E235 IonicContact NH2-OE1 2.84Å; R206-E235 PolarHBondContact NH2-OE1 2.99Å |
| 207 | L | 96.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 116 | 179.6 | -179.9 | 57.3 | 0 | 0 | 0 | 109.3 | T188 S193 L197 L204 L209 L223 L233 E235 L236 H237 | T188-L207 HydrophobicContact CG2-CD1 4.2Å; S193-L207 WeakPolarHBondContact OG-CD1 3.27Å; L197-L207 HydrophobicContact CD1-CD2 3.81Å; L204-L207 HydrophobicContact CD1-CD1 4.46Å; L207-L209 HydrophobicContact CD1-CD2 3.77Å; L207-L209 HydrophobicContact CD1-CG 4.25Å; L207-L209 HydrophobicContact CD2-CD1 4.24Å; L207-L209 HydrophobicContact CD2-CD2 4.5Å; L207-L209 HydrophobicContact CD2-CG 4.37Å; L207-L209 HydrophobicContact CG-CD1 4.39Å; L207-L209 HydrophobicContact CG-CD2 4.07Å; L207-L209 HydrophobicContact CG-CG 3.99Å; L207-L223 HydrophobicContact CD2-CD1 3.9Å; L207-L233 HydrophobicContact CB-CD1 3.67Å; L207-L233 HydrophobicContact CB-CD2 4.04Å; L207-E235 PolarHBondContact N-O 3.26Å; L207-L236 HydrophobicContact CB-CD1 4.17Å; L207-L236 HydrophobicContact CD2-CD1 4Å; L207-L236 HydrophobicContact CG-CD1 4.11Å; L207-H237 PolarHBondContact O-N 3.22Å |
| 208 | N | 95.3 | Very high | 92.2 | Very high | 77 Ų | 77 | 74.8 Ų | 74.8 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 103.3 | -179.6 | -177.6 | 5.3 | 0 | 0 | 0 | 110.9 | N186 T188 N210 | N186-N208 PolarHBondContact ND2-O 2.8Å; N186-N208 VanDerWaalsContact ND2-O 3.13Å; T188-N208 PolarHBondContact OG1-O 3.48Å; N208-N210 WeakPolarHBondContact OD1-CB 3.37Å; N208-N210 PolarHBondContact OD1-N 3.46Å; N208-N210 PolarHBondContact OD1-ND2 3.32Å |
| 209 | L | 95.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | trans | -105 | 16.4 | 175.8 | -52 | 179.7 | 0 | 0 | 0 | 112 | T188 V190 L207 I212 I215 L223 H237 M238 T241 | T188-L209 HydrophobicContact CG2-CD2 3.96Å; V190-L209 HydrophobicContact CG2-CD2 4.23Å; L207-L209 HydrophobicContact CD1-CD2 3.77Å; L207-L209 HydrophobicContact CD1-CG 4.25Å; L207-L209 HydrophobicContact CD2-CD1 4.24Å; L207-L209 HydrophobicContact CD2-CD2 4.5Å; L207-L209 HydrophobicContact CD2-CG 4.37Å; L207-L209 HydrophobicContact CG-CD1 4.39Å; L207-L209 HydrophobicContact CG-CD2 4.07Å; L207-L209 HydrophobicContact CG-CG 3.99Å; L209-I212 HydrophobicContact CB-CD1 4.31Å; L209-I212 HydrophobicContact CD2-CD1 4.18Å; L209-I212 PolarHBondContact O-N 2.95Å; L209-I215 HydrophobicContact CB-CD1 4.22Å; L209-I215 HydrophobicContact CD1-CD1 4.31Å; L209-L223 HydrophobicContact CD1-CD2 3.86Å; L209-H237 WeakPolarHBondContact CA-O 3.3Å; L209-H237 PolarHBondContact N-O 3.45Å; L209-M238 HydrophobicContact CB-CG 4.12Å; L209-M238 HydrophobicContact CD1-CE 4.2Å; L209-M238 HydrophobicContact CD1-CG 4.15Å; L209-M238 HydrophobicContact CD1-SD 4.24Å; L209-M238 HydrophobicContact CG-CG 4.49Å; L209-T241 WeakPolarHBondContact O-CG2 3.32Å | ||
| 210 | N | 94.4 | Very high | 92.3 | Very high | 37 Ų | 37 | 66.1 Ų | 66.1 | 20% | 0.198 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 143 | -178.8 | -67.4 | -9.9 | 0 | 0 | 0 | 111.2 | N186 N208 I212 H237 M238 A239 | N186-N210 WeakPolarHBondContact CB-O 3.43Å; N186-N210 PolarHBondContact ND2-O 3.13Å; N208-N210 WeakPolarHBondContact OD1-CB 3.37Å; N208-N210 PolarHBondContact OD1-N 3.46Å; N208-N210 PolarHBondContact OD1-ND2 3.32Å; N210-I212 PolarHBondContact O-N 3.38Å; N210-I212 VanDerWaalsContact O-N 3.13Å; N210-H237 VanDerWaalsContact OD1-CB 3.32Å; N210-H237 WeakPolarHBondContact OD1-CB 3.49Å; N210-H237 PolarHBondContact OD1-O 3.06Å; N210-M238 PolarHBondContact OD1-N 2.97Å; N210-A239 VanDerWaalsContact CA-O 3.32Å; N210-A239 WeakPolarHBondContact CA-O 2.99Å; N210-A239 HydrophobicContact CB-CB 4.47Å; N210-A239 WeakPolarHBondContact OD1-CB 3.49Å; N210-A239 PolarHBondContact OD1-N 3.01Å |
| 211 | N | 91.8 | Very high | 92.5 | Very high | 100 Ų | 100 | 69.3 Ų | 69.3 | 54% | 0.535 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 8.5 | 178.4 | -60.8 | -44.2 | 0 | 0 | 0 | 115.9 | K213 A239 A240 | N211-K213 PolarHBondContact O-N 3.25Å; N211-A239 PolarHBondContact N-O 3.01Å; N211-A240 WeakPolarHBondContact OD1-CB 3.32Å |
| 212 | I | 91 | Very high | 92.7 | Very high | 15 Ų | 15 | 72.1 Ų | 72.1 | 8% | 0.077 | 36% | 0.362 | C | S | . | . | trans | -84.4 | 93 | 172.2 | -54.3 | 179.3 | 0 | 0 | 0 | 108.6 | N186 V190 L209 N210 T214 I215 | N186-I212 HydrophobicContact CB-CD1 4.46Å; N186-I212 HydrophobicContact CB-CG1 4.01Å; V190-I212 HydrophobicContact CG2-CD1 3.9Å; V190-I212 HydrophobicContact CG2-CG2 4.25Å; L209-I212 HydrophobicContact CB-CD1 4.31Å; L209-I212 HydrophobicContact CD2-CD1 4.18Å; L209-I212 PolarHBondContact O-N 2.95Å; N210-I212 PolarHBondContact O-N 3.38Å; N210-I212 VanDerWaalsContact O-N 3.13Å; I212-T214 VanDerWaalsContact C-N 3.26Å; I212-T214 PolarHBondContact O-N 3.5Å; I212-I215 HydrophobicContact CB-CD1 4.15Å; I212-I215 HydrophobicContact CB-CG1 4.21Å; I212-I215 HydrophobicContact CG2-CD1 4.21Å; I212-I215 HydrophobicContact CG2-CG1 3.76Å; I212-I215 WeakPolarHBondContact O-CG1 3.49Å | ||
| 213 | K | 83.2 | Confident | 93 | Very high | 115 Ų | 115 | 65 Ų | 65 | 50% | 0.5 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -2.9 | -175.6 | -61.8 | 175.7 | -175.5 | 169.4 | 0 | 114.2 | N211 R242 | N211-K213 PolarHBondContact O-N 3.25Å; K213-R242 HydrophobicContact CB-CG 4.18Å; K213-R242 HydrophobicContact CG-CG 4.15Å |
| 214 | T | 82.6 | Confident | 93.3 | Very high | 132 Ų | 132 | 57.6 Ų | 57.6 | 81% | 0.81 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 13.6 | -173 | 49.4 | 0 | 0 | 0 | 0 | 113.4 | I212 S216 | I212-T214 VanDerWaalsContact C-N 3.26Å; I212-T214 PolarHBondContact O-N 3.5Å; T214-S216 PolarHBondContact O-N 3.46Å |
| 215 | I | 89.7 | Confident | 93.5 | Very high | 15 Ų | 15 | 59.3 Ų | 59.3 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | trans | -77.7 | 120.7 | -179.5 | -54.2 | 178.2 | 0 | 0 | 0 | 109.5 | L209 I212 V219 V220 M238 T241 | L209-I215 HydrophobicContact CB-CD1 4.22Å; L209-I215 HydrophobicContact CD1-CD1 4.31Å; I212-I215 HydrophobicContact CB-CD1 4.15Å; I212-I215 HydrophobicContact CB-CG1 4.21Å; I212-I215 HydrophobicContact CG2-CD1 4.21Å; I212-I215 HydrophobicContact CG2-CG1 3.76Å; I212-I215 WeakPolarHBondContact O-CG1 3.49Å; I215-V219 HydrophobicContact CG2-CB 3.96Å; I215-V219 HydrophobicContact CG2-CG1 3.8Å; I215-V220 HydrophobicContact CG2-CG2 3.56Å; I215-M238 HydrophobicContact CD1-CE 4.09Å; I215-T241 HydrophobicContact CD1-CG2 3.97Å | ||
| 216 | S | 92.7 | Very high | 93.6 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | trans | -81 | 159.7 | 175.3 | 72.4 | 0 | 0 | 0 | 0 | 111.9 | T214 E218 V219 V220 | T214-S216 PolarHBondContact O-N 3.46Å; S216-E218 PolarHBondContact O-N 3.31Å; S216-V219 WeakPolarHBondContact O-CB 3.43Å; S216-V219 PolarHBondContact O-N 3.07Å; S216-V219 VanDerWaalsContact O-N 3.11Å; S216-V219 VanDerWaalsContact OG-CG2 3.24Å; S216-V219 WeakPolarHBondContact OG-CG2 3.35Å; S216-V219 PolarHBondContact OG-N 3.08Å; S216-V220 PolarHBondContact O-N 3.1Å; S216-V220 VanDerWaalsContact O-N 3.11Å | ||
| 217 | A | 93.3 | Very high | 93.6 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 41% | 0.405 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.6 | -37.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V219 V220 Q221 M247 | A217-V219 VanDerWaalsContact C-N 3.35Å; A217-V219 PolarHBondContact O-N 2.88Å; A217-V220 PolarHBondContact O-N 2.96Å; A217-Q221 PolarHBondContact O-N 2.91Å; A217-M247 HydrophobicContact CB-CE 4.12Å; A217-M247 HydrophobicContact CB-CG 3.88Å |
| 218 | E | 94.6 | Very high | 93.6 | Very high | 137 Ų | 137 | 50.7 Ų | 50.7 | 64% | 0.64 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.5 | -39.2 | 176.5 | -62.9 | -179.5 | 171.9 | 0 | 0 | 112.4 | S216 Q221 R222 | S216-E218 PolarHBondContact O-N 3.31Å; E218-Q221 PolarHBondContact O-N 3.32Å; E218-R222 WeakPolarHBondContact O-CG 3.49Å; E218-R222 PolarHBondContact O-N 2.97Å |
| 219 | V | 95 | Very high | 93.4 | Very high | 21 Ų | 21 | 55.7 Ų | 55.7 | 13% | 0.127 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.8 | -42 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 110 | V190 I194 I215 S216 A217 R222 L223 | V190-V219 HydrophobicContact CG1-CG1 3.59Å; I194-V219 HydrophobicContact CD1-CG1 3.68Å; I215-V219 HydrophobicContact CG2-CB 3.96Å; I215-V219 HydrophobicContact CG2-CG1 3.8Å; S216-V219 WeakPolarHBondContact O-CB 3.43Å; S216-V219 PolarHBondContact O-N 3.07Å; S216-V219 VanDerWaalsContact O-N 3.11Å; S216-V219 VanDerWaalsContact OG-CG2 3.24Å; S216-V219 WeakPolarHBondContact OG-CG2 3.35Å; S216-V219 PolarHBondContact OG-N 3.08Å; A217-V219 VanDerWaalsContact C-N 3.35Å; A217-V219 PolarHBondContact O-N 2.88Å; V219-R222 PolarHBondContact O-N 3.15Å; V219-L223 VanDerWaalsContact O-CB 3.29Å; V219-L223 WeakPolarHBondContact O-CB 3.41Å; V219-L223 PolarHBondContact O-N 3.12Å |
| 220 | V | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 175.1 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | I215 S216 A217 L223 C224 L243 M247 F251 | I215-V220 HydrophobicContact CG2-CG2 3.56Å; S216-V220 PolarHBondContact O-N 3.1Å; S216-V220 VanDerWaalsContact O-N 3.11Å; A217-V220 PolarHBondContact O-N 2.96Å; V220-L223 WeakPolarHBondContact O-CB 3.29Å; V220-L223 PolarHBondContact O-N 3.37Å; V220-C224 PolarHBondContact O-N 3Å; V220-C224 PolarHBondContact O-SG 2.93Å; V220-L243 HydrophobicContact CG1-CD2 4.43Å; V220-L243 HydrophobicContact CG2-CD2 3.83Å; V220-M247 VanDerWaalsContact CG1-O 3.25Å; V220-M247 WeakPolarHBondContact CG1-O 3.21Å; V220-F251 HydrophobicContact CG1-CD2 4.27Å; V220-F251 HydrophobicContact CG1-CE2 3.54Å; V220-F251 HydrophobicContact CG1-CZ 4.43Å |
| 221 | Q | 96.3 | Very high | 93.4 | Very high | 121 Ų | 121 | 57.3 Ų | 57.3 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 177.3 | -174.5 | -179.6 | -2.6 | 0 | 0 | 111.6 | A217 E218 C224 A225 P250 | A217-Q221 PolarHBondContact O-N 2.91Å; E218-Q221 PolarHBondContact O-N 3.32Å; Q221-C224 PolarHBondContact O-N 3.05Å; Q221-A225 WeakPolarHBondContact O-CB 3.25Å; Q221-A225 PolarHBondContact O-N 3.31Å; Q221-P250 HydrophobicContact CB-CG 4.1Å; Q221-P250 HydrophobicContact CG-CB 4.47Å; Q221-P250 HydrophobicContact CG-CG 4.1Å |
| 222 | R | 96.1 | Very high | 93.6 | Very high | 85 Ų | 85 | 55 Ų | 55 | 32% | 0.321 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 175.3 | -73 | -172.4 | -65.8 | 122 | -8.1 | 111.9 | E191 I194 E218 V219 C224 A225 A226 | E191-R222 VanDerWaalsContact CD-NH1 3.28Å; E191-R222 IonicContact OE1-CZ 3.64Å; E191-R222 IonicContact OE1-NH1 3.49Å; E191-R222 PolarHBondContact OE1-NH1 2.93Å; E191-R222 IonicContact OE1-NH2 2.74Å; E191-R222 IonicContact OE2-CZ 2.96Å; E191-R222 IonicContact OE2-NH1 2.88Å; E191-R222 PolarHBondContact OE2-NH1 3.36Å; E191-R222 IonicContact OE2-NH2 3.65Å; E191-R222 PolarHBondContact OE2-NH2 3.03Å; I194-R222 HydrophobicContact CG2-CB 4.47Å; E218-R222 WeakPolarHBondContact O-CG 3.49Å; E218-R222 PolarHBondContact O-N 2.97Å; V219-R222 PolarHBondContact O-N 3.15Å; R222-C224 PolarHBondContact O-N 2.78Å; R222-A225 PolarHBondContact O-N 3.38Å; R222-A226 WeakPolarHBondContact O-CB 3.37Å; R222-A226 PolarHBondContact O-N 3.13Å |
| 223 | L | 96.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.6 | -49.2 | 174.3 | -179.1 | 69.8 | 0 | 0 | 0 | 111.1 | I194 L197 L207 L209 V219 V220 A225 A226 L227 M238 | I194-L223 HydrophobicContact CD1-CB 4.3Å; I194-L223 HydrophobicContact CG1-CB 4.29Å; I194-L223 HydrophobicContact CG1-CD1 3.95Å; L197-L223 HydrophobicContact CD1-CD1 3.43Å; L197-L223 VanDerWaalsContact CD1-CD1 3.43Å; L207-L223 HydrophobicContact CD2-CD1 3.9Å; L209-L223 HydrophobicContact CD1-CD2 3.86Å; V219-L223 VanDerWaalsContact O-CB 3.29Å; V219-L223 WeakPolarHBondContact O-CB 3.41Å; V219-L223 PolarHBondContact O-N 3.12Å; V220-L223 WeakPolarHBondContact O-CB 3.29Å; V220-L223 PolarHBondContact O-N 3.37Å; L223-A225 PolarHBondContact O-N 3.44Å; L223-A226 PolarHBondContact O-N 2.95Å; L223-L227 HydrophobicContact CD1-CD1 4.33Å; L223-L227 HydrophobicContact CG-CD1 4.03Å; L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 VanDerWaalsContact O-CG 3.25Å; L223-L227 WeakPolarHBondContact O-CG 3.25Å; L223-L227 PolarHBondContact O-N 3.19Å; L223-M238 HydrophobicContact CD2-CE 4.05Å; L223-M238 HydrophobicContact CD2-SD 3.69Å |
| 224 | C | 97 | Very high | 94.6 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 177.8 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | V220 Q221 R222 L227 T228 P250 F251 M254 | V220-C224 PolarHBondContact O-N 3Å; V220-C224 PolarHBondContact O-SG 2.93Å; Q221-C224 PolarHBondContact O-N 3.05Å; R222-C224 PolarHBondContact O-N 2.78Å; C224-L227 PolarHBondContact O-N 3.31Å; C224-T228 PolarHBondContact O-N 3.12Å; C224-T228 PolarHBondContact O-OG1 3.24Å; C224-P250 HydrophobicContact CB-CB 3.68Å; C224-F251 WeakPolarHBondContact SG-CD2 3.39Å; C224-M254 HydrophobicContact CB-CB 4.06Å; C224-M254 HydrophobicContact CB-CG 4.49Å; C224-M254 WeakPolarHBondContact O-CG 3.03Å |
| 225 | A | 96.3 | Very high | 95.3 | Very high | 59 Ų | 59 | 46 Ų | 46 | 49% | 0.488 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q221 R222 L223 T228 | Q221-A225 WeakPolarHBondContact O-CB 3.25Å; Q221-A225 PolarHBondContact O-N 3.31Å; R222-A225 PolarHBondContact O-N 3.38Å; L223-A225 PolarHBondContact O-N 3.44Å; A225-T228 WeakPolarHBondContact O-CB 3.21Å; A225-T228 PolarHBondContact O-N 3.27Å |
| 226 | A | 95.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 7% | 0.066 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | I194 L197 E198 R222 L223 T228 K229 N230 | I194-A226 HydrophobicContact CG2-CB 4.49Å; L197-A226 HydrophobicContact CB-CB 3.92Å; E198-A226 HydrophobicContact CG-CB 3.67Å; R222-A226 WeakPolarHBondContact O-CB 3.37Å; R222-A226 PolarHBondContact O-N 3.13Å; L223-A226 PolarHBondContact O-N 2.95Å; A226-T228 VanDerWaalsContact C-N 3.26Å; A226-T228 PolarHBondContact O-N 2.95Å; A226-K229 PolarHBondContact O-N 3.48Å; A226-N230 PolarHBondContact O-N 2.69Å; A226-N230 VanDerWaalsContact O-N 3.14Å |
| 227 | L | 95.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.6 | -31.8 | 178 | -73.3 | 171.4 | 0 | 0 | 0 | 113 | L197 L223 C224 K229 N230 L233 L236 M254 N258 | L197-L227 HydrophobicContact CD1-CD2 3.91Å; L197-L227 HydrophobicContact CD1-CG 4.13Å; L197-L227 HydrophobicContact CD2-CD2 3.87Å; L197-L227 HydrophobicContact CG-CD2 4.47Å; L223-L227 HydrophobicContact CD1-CD1 4.33Å; L223-L227 HydrophobicContact CG-CD1 4.03Å; L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 VanDerWaalsContact O-CG 3.25Å; L223-L227 WeakPolarHBondContact O-CG 3.25Å; L223-L227 PolarHBondContact O-N 3.19Å; C224-L227 PolarHBondContact O-N 3.31Å; L227-K229 PolarHBondContact O-N 3.35Å; L227-K229 VanDerWaalsContact O-N 3.09Å; L227-N230 PolarHBondContact O-N 3.13Å; L227-L233 HydrophobicContact CD2-CB 4.09Å; L227-L233 HydrophobicContact CD2-CD2 3.39Å; L227-L233 HydrophobicContact CD2-CG 4.34Å; L227-L236 HydrophobicContact CD1-CD2 3.73Å; L227-M254 HydrophobicContact CB-CG 3.7Å; L227-M254 HydrophobicContact CB-SD 3.51Å; L227-M254 VanDerWaalsContact CB-SD 3.51Å; L227-M254 HydrophobicContact CD1-SD 3.72Å; L227-M254 HydrophobicContact CG-SD 4.25Å; L227-N258 PolarHBondContact O-ND2 2.7Å |
| 228 | T | 95.8 | Very high | 96.1 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 22% | 0.221 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.8 | -32.5 | 177.8 | -63.1 | 0 | 0 | 0 | 0 | 112.7 | C224 A225 A226 K257 | C224-T228 PolarHBondContact O-N 3.12Å; C224-T228 PolarHBondContact O-OG1 3.24Å; A225-T228 WeakPolarHBondContact O-CB 3.21Å; A225-T228 PolarHBondContact O-N 3.27Å; A226-T228 VanDerWaalsContact C-N 3.26Å; A226-T228 PolarHBondContact O-N 2.95Å; T228-K257 HydrophobicContact CG2-CB 3.82Å; T228-K257 HydrophobicContact CG2-CD 3.55Å; T228-K257 HydrophobicContact CG2-CG 4.33Å |
| 229 | K | 92.4 | Very high | 96.1 | Very high | 181 Ų | 181 | 36.2 Ų | 36.2 | 79% | 0.787 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -105 | -14.2 | -179.4 | -60.7 | -179.8 | -175.8 | 175.6 | 0 | 113.7 | A226 L227 | A226-K229 PolarHBondContact O-N 3.48Å; L227-K229 PolarHBondContact O-N 3.35Å; L227-K229 VanDerWaalsContact O-N 3.09Å |
| 230 | N | 94.6 | Very high | 96 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | trans | -71.4 | 138.6 | -175.3 | -172.5 | -83.6 | 0 | 0 | 0 | 111.5 | L197 N200 A226 L227 Q232 L233 N258 | L197-N230 WeakPolarHBondContact CA-ND2 3.48Å; L197-N230 PolarHBondContact O-ND2 2.78Å; N200-N230 PolarHBondContact OD1-ND2 2.81Å; A226-N230 PolarHBondContact O-N 2.69Å; A226-N230 VanDerWaalsContact O-N 3.14Å; L227-N230 PolarHBondContact O-N 3.13Å; N230-Q232 PolarHBondContact OD1-N 2.95Å; N230-L233 PolarHBondContact OD1-N 2.9Å; N230-N258 PolarHBondContact O-ND2 3.32Å | ||
| 231 | T | 94.8 | Very high | 95.9 | Very high | 69 Ų | 69 | 36.4 Ų | 36.4 | 42% | 0.423 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -120.1 | 13.9 | -178.4 | 68.6 | 0 | 0 | 0 | 0 | 114.1 | N200 | N200-T231 PolarHBondContact ND2-OG1 3.19Å; N200-T231 PolarHBondContact OD1-N 2.85Å; N200-T231 PolarHBondContact OD1-OG1 2.74Å |
| 232 | Q | 96 | Very high | 95.7 | Very high | 52 Ų | 52 | 37.4 Ų | 37.4 | 24% | 0.243 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -118.6 | -35.8 | -175.2 | -58.8 | -62.6 | -11.8 | 0 | 0 | 112.7 | N200 S201 N230 T234 | N200-Q232 WeakPolarHBondContact OD1-CG 3.15Å; S201-Q232 WeakPolarHBondContact O-CB 3.32Å; N230-Q232 PolarHBondContact OD1-N 2.95Å; Q232-T234 PolarHBondContact O-N 2.77Å |
| 233 | L | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | trans | -71.1 | 120.6 | -177.7 | -165.7 | 79.9 | 0 | 0 | 0 | 110.8 | L197 L204 L207 L227 N230 L236 L261 | L197-L233 HydrophobicContact CD2-CB 3.85Å; L197-L233 HydrophobicContact CD2-CD1 4.22Å; L197-L233 HydrophobicContact CD2-CD2 4.11Å; L197-L233 HydrophobicContact CD2-CG 4.27Å; L204-L233 HydrophobicContact CG-CD1 4.04Å; L204-L233 WeakPolarHBondContact O-CD1 3.48Å; L207-L233 HydrophobicContact CB-CD1 3.67Å; L207-L233 HydrophobicContact CB-CD2 4.04Å; L227-L233 HydrophobicContact CD2-CB 4.09Å; L227-L233 HydrophobicContact CD2-CD2 3.39Å; L227-L233 HydrophobicContact CD2-CG 4.34Å; N230-L233 PolarHBondContact OD1-N 2.9Å; L233-L236 HydrophobicContact CD2-CB 4.13Å; L233-L236 HydrophobicContact CD2-CD1 4.46Å; L233-L261 HydrophobicContact CD2-CD1 4.2Å; L233-L261 HydrophobicContact CG-CD1 4.43Å | ||
| 234 | T | 97.1 | Very high | 95.5 | Very high | 35 Ų | 35 | 36 Ų | 36 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | trans | -105.8 | -25.7 | 179.6 | 59.4 | 0 | 0 | 0 | 0 | 113 | T205 Q232 K262 V263 | T205-T234 PolarHBondContact O-N 3.2Å; T205-T234 PolarHBondContact O-OG1 3.27Å; Q232-T234 PolarHBondContact O-N 2.77Å; T234-K262 PolarHBondContact O-N 3.36Å; T234-V263 PolarHBondContact O-N 3.21Å | ||
| 235 | E | 98.2 | Very high | 95.4 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 16% | 0.164 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 124.3 | -177.7 | -49.5 | -175.4 | -165.5 | 0 | 0 | 111.4 | T205 R206 L207 H237 V263 | T205-E235 PolarHBondContact O-N 2.92Å; R206-E235 WeakPolarHBondContact CA-O 3.46Å; R206-E235 HydrophobicContact CB-CB 4.24Å; R206-E235 WeakPolarHBondContact CD-OE2 3.24Å; R206-E235 HydrophobicContact CG-CB 3.98Å; R206-E235 HydrophobicContact CG-CG 3.98Å; R206-E235 IonicContact CZ-OE1 3.67Å; R206-E235 IonicContact CZ-OE2 2.68Å; R206-E235 VanDerWaalsContact NE-CD 3.27Å; R206-E235 IonicContact NE-OE1 3.7Å; R206-E235 PolarHBondContact NE-OE1 2.83Å; R206-E235 IonicContact NE-OE2 2.68Å; R206-E235 PolarHBondContact NE-OE2 3.14Å; R206-E235 IonicContact NH1-OE1 3.22Å; R206-E235 IonicContact NH1-OE2 3.02Å; R206-E235 IonicContact NH2-OE1 2.84Å; R206-E235 PolarHBondContact NH2-OE1 2.99Å; L207-E235 PolarHBondContact N-O 3.26Å; E235-H237 IonicContact OE2-NE2 3.4Å; E235-H237 PolarHBondContact OE2-NE2 2.97Å; E235-V263 WeakPolarHBondContact CA-O 3.12Å; E235-V263 HydrophobicContact CB-CB 3.99Å; E235-V263 HydrophobicContact CB-CG2 4.4Å; E235-V263 HydrophobicContact CG-CB 3.88Å; E235-V263 HydrophobicContact CG-CG2 3.72Å |
| 236 | L | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 119.5 | 173.3 | 177.9 | 63.2 | 0 | 0 | 0 | 109.5 | L207 L227 L233 M238 F251 L261 V263 L264 N265 | L207-L236 HydrophobicContact CB-CD1 4.17Å; L207-L236 HydrophobicContact CD2-CD1 4Å; L207-L236 HydrophobicContact CG-CD1 4.11Å; L227-L236 HydrophobicContact CD1-CD2 3.73Å; L233-L236 HydrophobicContact CD2-CB 4.13Å; L233-L236 HydrophobicContact CD2-CD1 4.46Å; L236-M238 HydrophobicContact CD1-CG 3.89Å; L236-M238 HydrophobicContact CD1-SD 4.1Å; L236-M238 HydrophobicContact CD2-CG 4.46Å; L236-M238 HydrophobicContact CD2-SD 3.99Å; L236-M238 HydrophobicContact CG-CG 4.01Å; L236-M238 HydrophobicContact CG-SD 4.17Å; L236-F251 HydrophobicContact CD2-CE1 4.01Å; L236-L261 HydrophobicContact CB-CD1 3.92Å; L236-L261 HydrophobicContact CB-CD2 4.37Å; L236-V263 PolarHBondContact N-O 3.16Å; L236-L264 HydrophobicContact CB-CD1 4.34Å; L236-L264 HydrophobicContact CD2-CD1 3.97Å; L236-L264 HydrophobicContact CG-CD1 4.3Å; L236-N265 PolarHBondContact O-N 2.97Å |
| 237 | H | 97.8 | Very high | 95.2 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 18% | 0.176 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 119.7 | 177.2 | -57.4 | -91.2 | 0 | 0 | 0 | 110 | L207 L209 N210 E235 N265 | L207-H237 PolarHBondContact O-N 3.22Å; L209-H237 WeakPolarHBondContact CA-O 3.3Å; L209-H237 PolarHBondContact N-O 3.45Å; N210-H237 VanDerWaalsContact OD1-CB 3.32Å; N210-H237 WeakPolarHBondContact OD1-CB 3.49Å; N210-H237 PolarHBondContact OD1-O 3.06Å; E235-H237 IonicContact OE2-NE2 3.4Å; E235-H237 PolarHBondContact OE2-NE2 2.97Å; H237-N265 HydrophobicContact CB-CB 4.36Å |
| 238 | M | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -136.1 | 42.1 | -179.4 | -59.5 | -175 | 64.4 | 0 | 0 | 110.9 | L209 N210 I215 L223 L236 T241 L243 F251 N265 L266 N269 | L209-M238 HydrophobicContact CB-CG 4.12Å; L209-M238 HydrophobicContact CD1-CE 4.2Å; L209-M238 HydrophobicContact CD1-CG 4.15Å; L209-M238 HydrophobicContact CD1-SD 4.24Å; L209-M238 HydrophobicContact CG-CG 4.49Å; N210-M238 PolarHBondContact OD1-N 2.97Å; I215-M238 HydrophobicContact CD1-CE 4.09Å; L223-M238 HydrophobicContact CD2-CE 4.05Å; L223-M238 HydrophobicContact CD2-SD 3.69Å; L236-M238 HydrophobicContact CD1-CG 3.89Å; L236-M238 HydrophobicContact CD1-SD 4.1Å; L236-M238 HydrophobicContact CD2-CG 4.46Å; L236-M238 HydrophobicContact CD2-SD 3.99Å; L236-M238 HydrophobicContact CG-CG 4.01Å; L236-M238 HydrophobicContact CG-SD 4.17Å; M238-T241 HydrophobicContact CB-CG2 4.07Å; M238-T241 PolarHBondContact O-OG1 2.97Å; M238-L243 HydrophobicContact CB-CD1 4.32Å; M238-L243 HydrophobicContact CE-CD1 4.22Å; M238-L243 HydrophobicContact CE-CD2 4.2Å; M238-F251 HydrophobicContact SD-CZ 3.79Å; M238-N265 CarbonylContact C-O 3.41Å; M238-N265 WeakPolarHBondContact CA-O 3.5Å; M238-N265 PolarHBondContact N-O 3.47Å; M238-L266 HydrophobicContact CB-CD2 4Å; M238-N269 PolarHBondContact O-ND2 2.87Å | ||
| 239 | A | 94.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 139.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N210 N211 T241 E267 | N210-A239 VanDerWaalsContact CA-O 3.32Å; N210-A239 WeakPolarHBondContact CA-O 2.99Å; N210-A239 HydrophobicContact CB-CB 4.47Å; N210-A239 WeakPolarHBondContact OD1-CB 3.49Å; N210-A239 PolarHBondContact OD1-N 3.01Å; N211-A239 PolarHBondContact N-O 3.01Å; A239-T241 VanDerWaalsContact C-N 3.26Å; A239-T241 PolarHBondContact O-N 3.34Å; A239-E267 CarbonylContact C-O 3.6Å; A239-E267 WeakPolarHBondContact CA-O 3.33Å; A239-E267 HydrophobicContact CB-CB 4.22Å |
| 240 | A | 93.3 | Very high | 95.4 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 37 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N211 E267 S268 | N211-A240 WeakPolarHBondContact OD1-CB 3.32Å; A240-E267 PolarHBondContact N-O 3.44Å; A240-S268 WeakPolarHBondContact CA-O 3.42Å |
| 241 | T | 94.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -94.4 | 4.6 | 178.1 | 50.6 | 0 | 0 | 0 | 0 | 113.4 | L209 I215 M238 A239 L243 N269 | L209-T241 WeakPolarHBondContact O-CG2 3.32Å; I215-T241 HydrophobicContact CD1-CG2 3.97Å; M238-T241 HydrophobicContact CB-CG2 4.07Å; M238-T241 PolarHBondContact O-OG1 2.97Å; A239-T241 VanDerWaalsContact C-N 3.26Å; A239-T241 PolarHBondContact O-N 3.34Å; T241-L243 VanDerWaalsContact C-N 3.32Å; T241-L243 WeakPolarHBondContact OG1-CG 3.13Å; T241-N269 PolarHBondContact N-OD1 3.2Å; T241-N269 VanDerWaalsContact N-OD1 3.12Å; T241-N269 PolarHBondContact OG1-OD1 3.02Å |
| 242 | R | 92.6 | Very high | 95.6 | Very high | 143 Ų | 143 | 35.3 Ų | 35.3 | 54% | 0.54 | 19% | 0.187 | S | C | . | . | trans | 62.3 | 33.2 | -176.3 | -54.5 | -171.5 | 162.9 | 159.6 | -5.8 | 113.9 | K213 T244 N269 F270 | K213-R242 HydrophobicContact CB-CG 4.18Å; K213-R242 HydrophobicContact CG-CG 4.15Å; R242-T244 PolarHBondContact O-N 2.69Å; R242-N269 PolarHBondContact N-OD1 3.35Å; R242-F270 HydrophobicContact CB-CD2 4.24Å; R242-F270 HydrophobicContact CB-CE2 3.86Å; R242-F270 HydrophobicContact CG-CE2 3.96Å | ||
| 243 | L | 95.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | trans | -61.4 | 132.4 | 174.2 | -65.6 | 170.2 | 0 | 0 | 0 | 110.5 | V220 M238 T241 M247 V248 L266 N269 F270 L271 | V220-L243 HydrophobicContact CG1-CD2 4.43Å; V220-L243 HydrophobicContact CG2-CD2 3.83Å; M238-L243 HydrophobicContact CB-CD1 4.32Å; M238-L243 HydrophobicContact CE-CD1 4.22Å; M238-L243 HydrophobicContact CE-CD2 4.2Å; T241-L243 VanDerWaalsContact C-N 3.32Å; T241-L243 WeakPolarHBondContact OG1-CG 3.13Å; L243-M247 HydrophobicContact CD2-CB 4.29Å; L243-V248 HydrophobicContact CB-CG1 3.96Å; L243-V248 HydrophobicContact CD1-CG1 4.19Å; L243-V248 HydrophobicContact CD2-CG1 4.46Å; L243-V248 HydrophobicContact CG-CG1 4.43Å; L243-L266 HydrophobicContact CD1-CD2 3.71Å; L243-N269 HydrophobicContact CB-CB 4.08Å; L243-N269 PolarHBondContact N-OD1 3.11Å; L243-F270 WeakPolarHBondContact O-CA 3.5Å; L243-F270 WeakPolarHBondContact O-CB 3.44Å; L243-F270 PolarHBondContact O-N 2.69Å; L243-L271 HydrophobicContact CB-CD2 4.25Å | ||
| 244 | T | 93.6 | Very high | 95.5 | Very high | 57 Ų | 57 | 37.2 Ų | 37.2 | 35% | 0.35 | 20% | 0.199 | S | C | . | . | B | Isolated β-bridge | trans | -108.2 | 166.5 | 174.7 | 63.2 | 0 | 0 | 0 | 0 | 110.1 | R242 A246 M247 V248 | R242-T244 PolarHBondContact O-N 2.69Å; T244-A246 VanDerWaalsContact C-N 3.3Å; T244-A246 PolarHBondContact O-N 3.47Å; T244-M247 HydrophobicContact CG2-SD 4.35Å; T244-M247 PolarHBondContact O-N 2.91Å; T244-M247 VanDerWaalsContact O-N 3.1Å; T244-M247 WeakPolarHBondContact OG1-CG 3.48Å; T244-V248 PolarHBondContact O-N 2.96Å |
| 245 | N | 93.5 | Very high | 95.6 | Very high | 52 Ų | 52 | 35.7 Ų | 35.7 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -46 | 179 | -67.2 | -16.1 | 0 | 0 | 0 | 113.2 | M247 V248 T272 I275 | N245-M247 PolarHBondContact O-N 3.28Å; N245-V248 WeakPolarHBondContact O-CG2 3.23Å; N245-V248 PolarHBondContact O-N 3.19Å; N245-T272 VanDerWaalsContact ND2-CG2 3.34Å; N245-T272 WeakPolarHBondContact ND2-CG2 3.34Å; N245-T272 PolarHBondContact ND2-OG1 3.29Å; N245-T272 PolarHBondContact OD1-N 3.08Å; N245-T272 PolarHBondContact OD1-OG1 3.04Å; N245-T272 VanDerWaalsContact OD1-OG1 3.06Å; N245-I275 HydrophobicContact CB-CD1 4.04Å; N245-I275 HydrophobicContact CB-CG1 3.7Å; N245-I275 VanDerWaalsContact CG-CG1 3.44Å; N245-I275 VanDerWaalsContact OD1-CG1 3.23Å; N245-I275 WeakPolarHBondContact OD1-CG1 3.44Å |
| 246 | A | 93.8 | Very high | 95.4 | Very high | 69 Ų | 69 | 39.1 Ų | 39.1 | 57% | 0.57 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -67.9 | -35.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T244 V248 | T244-A246 VanDerWaalsContact C-N 3.3Å; T244-A246 PolarHBondContact O-N 3.47Å; A246-V248 PolarHBondContact O-N 2.98Å |
| 247 | M | 94.5 | Very high | 95.3 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 20% | 0.197 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -67.3 | -26.3 | 179.6 | -72.6 | 172 | 151.3 | 0 | 0 | 112.8 | A217 V220 L243 T244 N245 P250 | A217-M247 HydrophobicContact CB-CE 4.12Å; A217-M247 HydrophobicContact CB-CG 3.88Å; V220-M247 VanDerWaalsContact CG1-O 3.25Å; V220-M247 WeakPolarHBondContact CG1-O 3.21Å; L243-M247 HydrophobicContact CD2-CB 4.29Å; T244-M247 HydrophobicContact CG2-SD 4.35Å; T244-M247 PolarHBondContact O-N 2.91Å; T244-M247 VanDerWaalsContact O-N 3.1Å; T244-M247 WeakPolarHBondContact OG1-CG 3.48Å; N245-M247 PolarHBondContact O-N 3.28Å; M247-P250 WeakPolarHBondContact O-CD 3.27Å |
| 248 | V | 95.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -93.5 | -4 | -176.1 | -59.8 | 0 | 0 | 0 | 0 | 114.5 | L243 T244 N245 A246 P250 F251 L271 I275 | L243-V248 HydrophobicContact CB-CG1 3.96Å; L243-V248 HydrophobicContact CD1-CG1 4.19Å; L243-V248 HydrophobicContact CD2-CG1 4.46Å; L243-V248 HydrophobicContact CG-CG1 4.43Å; T244-V248 PolarHBondContact O-N 2.96Å; N245-V248 WeakPolarHBondContact O-CG2 3.23Å; N245-V248 PolarHBondContact O-N 3.19Å; A246-V248 PolarHBondContact O-N 2.98Å; V248-P250 VanDerWaalsContact C-N 3.28Å; V248-F251 HydrophobicContact CB-CD2 4.01Å; V248-F251 HydrophobicContact CG1-CD2 4.25Å; V248-F251 HydrophobicContact CG1-CE2 4.34Å; V248-F251 VanDerWaalsContact O-CB 3.26Å; V248-F251 WeakPolarHBondContact O-CB 3.28Å; V248-F251 PolarHBondContact O-N 2.9Å; V248-L271 HydrophobicContact CB-CD2 4.39Å; V248-L271 HydrophobicContact CG1-CD2 3.61Å; V248-L271 HydrophobicContact CG2-CD2 3.86Å; V248-I275 HydrophobicContact CG2-CG2 3.41Å; V248-I275 VanDerWaalsContact CG2-CG2 3.41Å |
| 249 | E | 95.7 | Very high | 95.2 | Very high | 120 Ų | 120 | 47.1 Ų | 47.1 | 56% | 0.561 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -52 | -41 | 176.2 | -64.6 | -176.3 | -169 | 0 | 0 | 113.6 | F251 F252 | E249-F251 PolarHBondContact O-N 3.16Å; E249-F251 VanDerWaalsContact O-N 3.14Å; E249-F252 HydrophobicContact CB-CD2 4.42Å; E249-F252 HydrophobicContact CB-CE2 4.28Å; E249-F252 HydrophobicContact CG-CE2 4.18Å; E249-F252 WeakPolarHBondContact O-CB 3.42Å; E249-F252 VanDerWaalsContact O-CD2 3.26Å; E249-F252 WeakPolarHBondContact O-CD2 3.17Å; E249-F252 WeakPolarHBondContact O-CG 3.37Å; E249-F252 PolarHBondContact O-N 2.9Å |
| 250 | P | 97 | Very high | 95.3 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 21% | 0.214 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -20.9 | 176 | -24.3 | 36.3 | 0 | 0 | 0 | 114.7 | Q221 C224 M247 V248 F252 M254 | Q221-P250 HydrophobicContact CB-CG 4.1Å; Q221-P250 HydrophobicContact CG-CB 4.47Å; Q221-P250 HydrophobicContact CG-CG 4.1Å; C224-P250 HydrophobicContact CB-CB 3.68Å; M247-P250 WeakPolarHBondContact O-CD 3.27Å; V248-P250 VanDerWaalsContact C-N 3.28Å; P250-F252 PolarHBondContact O-N 3Å; P250-M254 WeakPolarHBondContact O-CB 3.34Å; P250-M254 PolarHBondContact O-N 3.25Å |
| 251 | F | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.1 | -29.4 | 175.1 | -78.6 | -103 | 0 | 0 | 0 | 111.6 | V220 C224 L236 M238 V248 E249 M254 L255 L264 L266 L279 | V220-F251 HydrophobicContact CG1-CD2 4.27Å; V220-F251 HydrophobicContact CG1-CE2 3.54Å; V220-F251 HydrophobicContact CG1-CZ 4.43Å; C224-F251 WeakPolarHBondContact SG-CD2 3.39Å; L236-F251 HydrophobicContact CD2-CE1 4.01Å; M238-F251 HydrophobicContact SD-CZ 3.79Å; V248-F251 HydrophobicContact CB-CD2 4.01Å; V248-F251 HydrophobicContact CG1-CD2 4.25Å; V248-F251 HydrophobicContact CG1-CE2 4.34Å; V248-F251 VanDerWaalsContact O-CB 3.26Å; V248-F251 WeakPolarHBondContact O-CB 3.28Å; V248-F251 PolarHBondContact O-N 2.9Å; E249-F251 PolarHBondContact O-N 3.16Å; E249-F251 VanDerWaalsContact O-N 3.14Å; F251-M254 HydrophobicContact CD1-CE 4.2Å; F251-M254 PolarHBondContact O-N 3.22Å; F251-L255 HydrophobicContact CB-CD1 4.42Å; F251-L255 WeakPolarHBondContact O-CB 3.32Å; F251-L255 WeakPolarHBondContact O-CG 3.47Å; F251-L255 PolarHBondContact O-N 3.22Å; F251-L264 HydrophobicContact CD1-CD1 4.48Å; F251-L264 HydrophobicContact CD1-CD2 4.45Å; F251-L264 HydrophobicContact CE1-CD1 4.02Å; F251-L266 HydrophobicContact CE1-CD1 4.48Å; F251-L266 HydrophobicContact CE1-CD2 4.08Å; F251-L266 HydrophobicContact CZ-CD2 4.09Å; F251-L279 HydrophobicContact CB-CD2 4.07Å |
| 252 | F | 96.7 | Very high | 95.6 | Very high | 30 Ų | 30 | 53.6 Ų | 53.6 | 13% | 0.132 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.3 | -48.5 | -177.2 | -54.4 | -36 | 0 | 0 | 0 | 111.3 | E249 P250 L255 Q256 I275 R278 L279 S282 | E249-F252 HydrophobicContact CB-CD2 4.42Å; E249-F252 HydrophobicContact CB-CE2 4.28Å; E249-F252 HydrophobicContact CG-CE2 4.18Å; E249-F252 WeakPolarHBondContact O-CB 3.42Å; E249-F252 VanDerWaalsContact O-CD2 3.26Å; E249-F252 WeakPolarHBondContact O-CD2 3.17Å; E249-F252 WeakPolarHBondContact O-CG 3.37Å; E249-F252 PolarHBondContact O-N 2.9Å; P250-F252 PolarHBondContact O-N 3Å; F252-L255 PolarHBondContact O-N 2.92Å; F252-Q256 VanDerWaalsContact O-CG 3.29Å; F252-Q256 WeakPolarHBondContact O-CG 3.43Å; F252-Q256 PolarHBondContact O-N 3.08Å; F252-Q256 VanDerWaalsContact O-N 3.1Å; F252-I275 HydrophobicContact CZ-CD1 4.01Å; F252-I275 HydrophobicContact CZ-CG2 4.3Å; F252-R278 HydrophobicContact CD1-CB 4.14Å; F252-R278 HydrophobicContact CE1-CB 3.55Å; F252-R278 HydrophobicContact CE2-CB 4.21Å; F252-R278 HydrophobicContact CZ-CB 3.6Å; F252-R278 HydrophobicContact CZ-CG 4.34Å; F252-L279 HydrophobicContact CD1-CD2 4.03Å; F252-L279 HydrophobicContact CE1-CD2 3.79Å; F252-L279 HydrophobicContact CE1-CG 3.94Å; F252-S282 WeakPolarHBondContact CA-OG 3.44Å; F252-S282 WeakPolarHBondContact CB-OG 3.5Å; F252-S282 PolarHBondContact O-OG 3.05Å |
| 253 | D | 95.2 | Very high | 95.9 | Very high | 93 Ų | 93 | 47.6 Ų | 47.6 | 50% | 0.497 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 177.3 | -76.9 | -7.5 | 0 | 0 | 0 | 111.8 | Q256 K257 | D253-Q256 PolarHBondContact O-N 2.94Å; D253-K257 WeakPolarHBondContact O-CG 3.43Å; D253-K257 PolarHBondContact O-N 2.89Å |
| 254 | M | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.9 | -44.9 | 177.7 | 178.7 | -129.1 | 58.8 | 0 | 0 | 110.9 | C224 L227 P250 F251 Q256 K257 N258 L261 | C224-M254 HydrophobicContact CB-CB 4.06Å; C224-M254 HydrophobicContact CB-CG 4.49Å; C224-M254 WeakPolarHBondContact O-CG 3.03Å; L227-M254 HydrophobicContact CB-CG 3.7Å; L227-M254 HydrophobicContact CB-SD 3.51Å; L227-M254 VanDerWaalsContact CB-SD 3.51Å; L227-M254 HydrophobicContact CD1-SD 3.72Å; L227-M254 HydrophobicContact CG-SD 4.25Å; P250-M254 WeakPolarHBondContact O-CB 3.34Å; P250-M254 PolarHBondContact O-N 3.25Å; F251-M254 HydrophobicContact CD1-CE 4.2Å; F251-M254 PolarHBondContact O-N 3.22Å; M254-Q256 VanDerWaalsContact C-N 3.32Å; M254-Q256 PolarHBondContact O-N 2.81Å; M254-K257 PolarHBondContact O-N 2.92Å; M254-N258 HydrophobicContact CG-CB 4.49Å; M254-N258 VanDerWaalsContact O-CB 3.24Å; M254-N258 WeakPolarHBondContact O-CB 3.16Å; M254-N258 PolarHBondContact O-N 3.35Å; M254-L261 HydrophobicContact CE-CD2 4.36Å |
| 255 | L | 97.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.1 | -34.5 | -179.7 | -75.9 | 171.1 | 0 | 0 | 0 | 112 | F251 F252 K257 L264 L279 I283 H285 I290 | F251-L255 HydrophobicContact CB-CD1 4.42Å; F251-L255 WeakPolarHBondContact O-CB 3.32Å; F251-L255 WeakPolarHBondContact O-CG 3.47Å; F251-L255 PolarHBondContact O-N 3.22Å; F252-L255 PolarHBondContact O-N 2.92Å; L255-K257 VanDerWaalsContact C-N 3.3Å; L255-K257 PolarHBondContact O-N 3.35Å; L255-L264 HydrophobicContact CD1-CD2 4.16Å; L255-L264 HydrophobicContact CD2-CD2 4.01Å; L255-L279 HydrophobicContact CD1-CD2 3.78Å; L255-I283 HydrophobicContact CB-CG2 4.03Å; L255-I283 HydrophobicContact CD1-CG2 3.87Å; L255-I283 HydrophobicContact CD2-CG2 3.79Å; L255-I283 HydrophobicContact CG-CG2 4.08Å; L255-H285 PolarHBondContact O-CE1 3.1Å; L255-I290 HydrophobicContact CD2-CD1 4.1Å; L255-I290 HydrophobicContact CD2-CG1 4.07Å |
| 256 | Q | 95.8 | Very high | 96.4 | Very high | 107 Ų | 107 | 43 Ų | 43 | 50% | 0.5 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.5 | -24.5 | 177.2 | -75.5 | 177.5 | -0.5 | 0 | 0 | 113.8 | F252 D253 M254 | F252-Q256 VanDerWaalsContact O-CG 3.29Å; F252-Q256 WeakPolarHBondContact O-CG 3.43Å; F252-Q256 PolarHBondContact O-N 3.08Å; F252-Q256 VanDerWaalsContact O-N 3.1Å; D253-Q256 PolarHBondContact O-N 2.94Å; M254-Q256 VanDerWaalsContact C-N 3.32Å; M254-Q256 PolarHBondContact O-N 2.81Å |
| 257 | K | 95.4 | Very high | 96.5 | Very high | 130 Ų | 130 | 42.1 Ų | 42.1 | 57% | 0.565 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -104.6 | -38.3 | -175.1 | -70 | 172.1 | -175.8 | 164.6 | 0 | 112.8 | T228 D253 M254 L255 | T228-K257 HydrophobicContact CG2-CB 3.82Å; T228-K257 HydrophobicContact CG2-CD 3.55Å; T228-K257 HydrophobicContact CG2-CG 4.33Å; D253-K257 WeakPolarHBondContact O-CG 3.43Å; D253-K257 PolarHBondContact O-N 2.89Å; M254-K257 PolarHBondContact O-N 2.92Å; L255-K257 VanDerWaalsContact C-N 3.3Å; L255-K257 PolarHBondContact O-N 3.35Å |
| 258 | N | 95.6 | Very high | 96.5 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 6% | 0.059 | 21% | 0.212 | C | C | . | . | trans | -78.1 | 126 | 179.7 | -172.2 | -69.3 | 0 | 0 | 0 | 110.2 | L227 N230 M254 I260 L261 | L227-N258 PolarHBondContact O-ND2 2.7Å; N230-N258 PolarHBondContact O-ND2 3.32Å; M254-N258 HydrophobicContact CG-CB 4.49Å; M254-N258 VanDerWaalsContact O-CB 3.24Å; M254-N258 WeakPolarHBondContact O-CB 3.16Å; M254-N258 PolarHBondContact O-N 3.35Å; N258-I260 PolarHBondContact OD1-N 3.19Å; N258-L261 PolarHBondContact OD1-N 3.29Å | ||
| 259 | T | 95.2 | Very high | 96.5 | Very high | 65 Ų | 65 | 42.4 Ų | 42.4 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | trans | -113.7 | 6.3 | -178 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | K287 G289 | T259-K287 VanDerWaalsContact CB-O 3.23Å; T259-K287 WeakPolarHBondContact CB-O 3.43Å; T259-K287 HydrophobicContact CG2-CB 3.8Å; T259-K287 WeakPolarHBondContact CG2-O 3.4Å; T259-G289 WeakPolarHBondContact O-CA 3.39Å | ||
| 260 | I | 96.3 | Very high | 96.4 | Very high | 57 Ų | 57 | 40.7 Ų | 40.7 | 29% | 0.292 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -106.7 | -35.9 | -171.2 | -58.2 | -59.7 | 0 | 0 | 0 | 112.1 | N258 K262 | N258-I260 PolarHBondContact OD1-N 3.19Å; I260-K262 WeakPolarHBondContact O-CG 3.44Å; I260-K262 PolarHBondContact O-N 3.39Å |
| 261 | L | 97.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | trans | -61.3 | 125.2 | 178.5 | -170.4 | 68.6 | 0 | 0 | 0 | 109.6 | L233 L236 M254 N258 L264 G289 I290 | L233-L261 HydrophobicContact CD2-CD1 4.2Å; L233-L261 HydrophobicContact CG-CD1 4.43Å; L236-L261 HydrophobicContact CB-CD1 3.92Å; L236-L261 HydrophobicContact CB-CD2 4.37Å; M254-L261 HydrophobicContact CE-CD2 4.36Å; N258-L261 PolarHBondContact OD1-N 3.29Å; L261-L264 HydrophobicContact CD2-CB 4.37Å; L261-L264 HydrophobicContact CD2-CD1 4.47Å; L261-G289 CarbonylContact O-C 3.55Å; L261-I290 HydrophobicContact CB-CD1 4.05Å; L261-I290 HydrophobicContact CD2-CD1 3.95Å; L261-I290 HydrophobicContact CG-CD1 3.83Å; L261-I290 VanDerWaalsContact O-CD1 3.25Å; L261-I290 WeakPolarHBondContact O-CD1 3.26Å; L261-I290 PolarHBondContact O-N 3.22Å | ||
| 262 | K | 97.3 | Very high | 96.2 | Very high | 110 Ų | 110 | 41.1 Ų | 41.1 | 48% | 0.478 | 21% | 0.205 | S | C | . | . | trans | -106.3 | -41.7 | -177.3 | -64.2 | -177.2 | -179 | 173.3 | 0 | 112.4 | T234 I260 G289 T291 D292 | T234-K262 PolarHBondContact O-N 3.36Å; I260-K262 WeakPolarHBondContact O-CG 3.44Å; I260-K262 PolarHBondContact O-N 3.39Å; K262-G289 WeakPolarHBondContact CA-O 3.5Å; K262-T291 PolarHBondContact O-N 3.02Å; K262-T291 PolarHBondContact O-OG1 2.96Å; K262-D292 PolarHBondContact O-N 3.36Å | ||
| 263 | V | 98.4 | Very high | 96 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 10% | 0.103 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.1 | -177.6 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | T234 E235 L236 D292 | T234-V263 PolarHBondContact O-N 3.21Å; E235-V263 WeakPolarHBondContact CA-O 3.12Å; E235-V263 HydrophobicContact CB-CB 3.99Å; E235-V263 HydrophobicContact CB-CG2 4.4Å; E235-V263 HydrophobicContact CG-CB 3.88Å; E235-V263 HydrophobicContact CG-CG2 3.72Å; L236-V263 PolarHBondContact N-O 3.16Å; V263-D292 WeakPolarHBondContact CA-O 3.48Å; V263-D292 HydrophobicContact CB-CB 4.19Å; V263-D292 HydrophobicContact CG1-CB 3.96Å; V263-D292 HydrophobicContact CG2-CB 3.91Å |
| 264 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118.6 | 172.6 | 175.2 | 61 | 0 | 0 | 0 | 109.3 | L236 F251 L255 L261 L266 I290 D292 L293 H294 | L236-L264 HydrophobicContact CB-CD1 4.34Å; L236-L264 HydrophobicContact CD2-CD1 3.97Å; L236-L264 HydrophobicContact CG-CD1 4.3Å; F251-L264 HydrophobicContact CD1-CD1 4.48Å; F251-L264 HydrophobicContact CD1-CD2 4.45Å; F251-L264 HydrophobicContact CE1-CD1 4.02Å; L255-L264 HydrophobicContact CD1-CD2 4.16Å; L255-L264 HydrophobicContact CD2-CD2 4.01Å; L261-L264 HydrophobicContact CD2-CB 4.37Å; L261-L264 HydrophobicContact CD2-CD1 4.47Å; L264-L266 HydrophobicContact CD1-CD1 4.36Å; L264-L266 HydrophobicContact CD1-CD2 3.92Å; L264-L266 HydrophobicContact CD1-CG 3.95Å; L264-L266 HydrophobicContact CD2-CD1 4.15Å; L264-L266 HydrophobicContact CD2-CG 4.46Å; L264-L266 HydrophobicContact CG-CD1 4.3Å; L264-L266 HydrophobicContact CG-CG 4.07Å; L264-I290 HydrophobicContact CB-CD1 4.04Å; L264-D292 PolarHBondContact N-O 3.21Å; L264-L293 HydrophobicContact CB-CD1 4.07Å; L264-L293 HydrophobicContact CD2-CD1 3.97Å; L264-L293 HydrophobicContact CG-CD1 4.13Å; L264-H294 PolarHBondContact O-N 2.87Å |
| 265 | N | 98.2 | Very high | 95.8 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 115.3 | 176.1 | -174.3 | -4 | 0 | 0 | 0 | 112.2 | L236 H237 M238 E267 H294 | L236-N265 PolarHBondContact O-N 2.97Å; H237-N265 HydrophobicContact CB-CB 4.36Å; M238-N265 CarbonylContact C-O 3.41Å; M238-N265 WeakPolarHBondContact CA-O 3.5Å; M238-N265 PolarHBondContact N-O 3.47Å; N265-E267 VanDerWaalsContact OD1-CB 3.25Å; N265-E267 WeakPolarHBondContact OD1-CB 3.37Å; N265-E267 WeakPolarHBondContact OD1-CG 3.21Å; N265-E267 PolarHBondContact OD1-N 3.32Å; N265-H294 HydrophobicContact CB-CB 3.79Å; N265-H294 WeakPolarHBondContact OD1-CB 3.07Å |
| 266 | L | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -123.9 | 29.1 | 176.5 | -52.5 | 176.3 | 0 | 0 | 0 | 111.1 | M238 L243 F251 L264 N269 L271 L279 H294 L295 Q298 | M238-L266 HydrophobicContact CB-CD2 4Å; L243-L266 HydrophobicContact CD1-CD2 3.71Å; F251-L266 HydrophobicContact CE1-CD1 4.48Å; F251-L266 HydrophobicContact CE1-CD2 4.08Å; F251-L266 HydrophobicContact CZ-CD2 4.09Å; L264-L266 HydrophobicContact CD1-CD1 4.36Å; L264-L266 HydrophobicContact CD1-CD2 3.92Å; L264-L266 HydrophobicContact CD1-CG 3.95Å; L264-L266 HydrophobicContact CD2-CD1 4.15Å; L264-L266 HydrophobicContact CD2-CG 4.46Å; L264-L266 HydrophobicContact CG-CD1 4.3Å; L264-L266 HydrophobicContact CG-CG 4.07Å; L266-N269 VanDerWaalsContact C-ND2 3.31Å; L266-N269 PolarHBondContact O-ND2 3.27Å; L266-L271 HydrophobicContact CB-CD1 4.11Å; L266-L271 HydrophobicContact CD1-CD1 4.28Å; L266-L279 HydrophobicContact CD1-CD1 3.99Å; L266-H294 CarbonylContact C-O 3.53Å; L266-H294 PolarHBondContact N-O 3.14Å; L266-L295 HydrophobicContact CB-CD2 3.97Å; L266-L295 HydrophobicContact CD1-CD2 4.16Å; L266-L295 HydrophobicContact CG-CD2 4.41Å; L266-Q298 PolarHBondContact O-NE2 3.5Å | ||
| 267 | E | 95.7 | Very high | 95.8 | Very high | 50 Ų | 50 | 35.5 Ų | 35.5 | 23% | 0.234 | 18% | 0.184 | C | C | . | . | trans | -60.8 | 156.3 | 178.5 | -75.5 | 171.6 | 175.2 | 0 | 0 | 112.9 | A239 A240 N265 N269 H294 A296 | A239-E267 CarbonylContact C-O 3.6Å; A239-E267 WeakPolarHBondContact CA-O 3.33Å; A239-E267 HydrophobicContact CB-CB 4.22Å; A240-E267 PolarHBondContact N-O 3.44Å; N265-E267 VanDerWaalsContact OD1-CB 3.25Å; N265-E267 WeakPolarHBondContact OD1-CB 3.37Å; N265-E267 WeakPolarHBondContact OD1-CG 3.21Å; N265-E267 PolarHBondContact OD1-N 3.32Å; E267-N269 VanDerWaalsContact C-N 3.32Å; E267-N269 PolarHBondContact O-N 3.32Å; E267-N269 PolarHBondContact O-ND2 3.01Å; E267-N269 VanDerWaalsContact O-ND2 3.15Å; E267-H294 HydrophobicContact CG-CB 3.88Å; E267-H294 PolarHBondContact N-O 2.58Å; E267-H294 WeakPolarHBondContact OE1-CB 3.3Å; E267-H294 IonicContact OE1-CG 3.42Å; E267-H294 IonicContact OE1-ND1 3.39Å; E267-H294 PolarHBondContact OE1-ND1 2.95Å; E267-A296 VanDerWaalsContact CA-O 3.28Å; E267-A296 WeakPolarHBondContact CA-O 3.48Å; E267-A296 HydrophobicContact CG-CB 4.23Å | ||
| 268 | S | 94.7 | Very high | 95.9 | Very high | 44 Ų | 44 | 35.8 Ų | 35.8 | 31% | 0.308 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 60.5 | 37.3 | 171.5 | -51 | 0 | 0 | 0 | 0 | 114.4 | A240 A296 N297 | A240-S268 WeakPolarHBondContact CA-O 3.42Å; S268-A296 PolarHBondContact N-O 3.49Å; S268-N297 WeakPolarHBondContact CA-O 3.4Å; S268-N297 PolarHBondContact OG-ND2 3.22Å |
| 269 | N | 95.4 | Very high | 96 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.011 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -114.8 | -170.9 | 178.4 | -75.5 | -59.9 | 0 | 0 | 0 | 111.7 | M238 T241 R242 L243 L266 E267 L271 Q298 R299 | M238-N269 PolarHBondContact O-ND2 2.87Å; T241-N269 PolarHBondContact N-OD1 3.2Å; T241-N269 VanDerWaalsContact N-OD1 3.12Å; T241-N269 PolarHBondContact OG1-OD1 3.02Å; R242-N269 PolarHBondContact N-OD1 3.35Å; L243-N269 HydrophobicContact CB-CB 4.08Å; L243-N269 PolarHBondContact N-OD1 3.11Å; L266-N269 VanDerWaalsContact C-ND2 3.31Å; L266-N269 PolarHBondContact O-ND2 3.27Å; E267-N269 VanDerWaalsContact C-N 3.32Å; E267-N269 PolarHBondContact O-N 3.32Å; E267-N269 PolarHBondContact O-ND2 3.01Å; E267-N269 VanDerWaalsContact O-ND2 3.15Å; N269-L271 HydrophobicContact CB-CG 4.13Å; N269-Q298 PolarHBondContact O-OE1 3.1Å; N269-Q298 VanDerWaalsContact O-OE1 3.08Å; N269-R299 PolarHBondContact O-N 3.26Å |
| 270 | F | 94.4 | Very high | 96.1 | Very high | 84 Ų | 84 | 32.3 Ų | 32.3 | 37% | 0.368 | 16% | 0.16 | S | C | . | . | B | Isolated β-bridge | trans | -104.9 | 39.6 | -179.8 | -57.8 | -88.8 | 0 | 0 | 0 | 111.2 | R242 L243 R299 | R242-F270 HydrophobicContact CB-CD2 4.24Å; R242-F270 HydrophobicContact CB-CE2 3.86Å; R242-F270 HydrophobicContact CG-CE2 3.96Å; L243-F270 WeakPolarHBondContact O-CA 3.5Å; L243-F270 WeakPolarHBondContact O-CB 3.44Å; L243-F270 PolarHBondContact O-N 2.69Å; F270-R299 HydrophobicContact CD1-CB 3.6Å; F270-R299 HydrophobicContact CD1-CG 3.81Å; F270-R299 HydrophobicContact CE1-CB 4.08Å; F270-R299 HydrophobicContact CE1-CG 4.05Å; F270-R299 HydrophobicContact CG-CB 4.41Å |
| 271 | L | 94.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | trans | -84.7 | 133.2 | 179.3 | -51.4 | -177.3 | 0 | 0 | 0 | 110.2 | L243 V248 L266 N269 I275 L276 L279 Q298 | L243-L271 HydrophobicContact CB-CD2 4.25Å; V248-L271 HydrophobicContact CB-CD2 4.39Å; V248-L271 HydrophobicContact CG1-CD2 3.61Å; V248-L271 HydrophobicContact CG2-CD2 3.86Å; L266-L271 HydrophobicContact CB-CD1 4.11Å; L266-L271 HydrophobicContact CD1-CD1 4.28Å; N269-L271 HydrophobicContact CB-CG 4.13Å; L271-I275 HydrophobicContact CB-CG2 4.45Å; L271-I275 HydrophobicContact CD2-CG2 4.33Å; L271-L276 HydrophobicContact CB-CD2 3.92Å; L271-L276 HydrophobicContact CD1-CD2 4.23Å; L271-L279 HydrophobicContact CD1-CD1 4.2Å; L271-Q298 HydrophobicContact CB-CG 4.37Å; L271-Q298 WeakPolarHBondContact O-CB 3.46Å | ||
| 272 | T | 93.8 | Very high | 96.1 | Very high | 40 Ų | 40 | 33.5 Ų | 33.5 | 25% | 0.245 | 17% | 0.165 | C | C | . | . | trans | -90.2 | 160.6 | 176.2 | 59.2 | 0 | 0 | 0 | 0 | 112 | N245 V274 I275 L276 Q300 | N245-T272 VanDerWaalsContact ND2-CG2 3.34Å; N245-T272 WeakPolarHBondContact ND2-CG2 3.34Å; N245-T272 PolarHBondContact ND2-OG1 3.29Å; N245-T272 PolarHBondContact OD1-N 3.08Å; N245-T272 PolarHBondContact OD1-OG1 3.04Å; N245-T272 VanDerWaalsContact OD1-OG1 3.06Å; T272-V274 PolarHBondContact O-N 3.49Å; T272-V274 VanDerWaalsContact O-N 3.13Å; T272-I275 WeakPolarHBondContact O-CB 3.35Å; T272-I275 PolarHBondContact O-N 3.44Å; T272-L276 WeakPolarHBondContact O-CG 3.45Å; T272-L276 PolarHBondContact O-N 2.87Å; T272-L276 VanDerWaalsContact O-N 3.12Å; T272-Q300 VanDerWaalsContact CB-OE1 3.26Å | ||
| 273 | G | 92.9 | Very high | 96 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.2 | -32.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | I275 L276 V277 | G273-I275 VanDerWaalsContact C-N 3.32Å; G273-I275 PolarHBondContact O-N 3.18Å; G273-L276 PolarHBondContact O-N 3.49Å; G273-V277 WeakPolarHBondContact O-CG2 3.42Å; G273-V277 PolarHBondContact O-N 3.04Å; G273-V277 VanDerWaalsContact O-N 3.11Å |
| 274 | V | 93.9 | Very high | 95.8 | Very high | 87 Ų | 87 | 29.5 Ų | 29.5 | 53% | 0.527 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.5 | -41.2 | 175.6 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | T272 V277 R278 I307 | T272-V274 PolarHBondContact O-N 3.49Å; T272-V274 VanDerWaalsContact O-N 3.13Å; V274-V277 WeakPolarHBondContact O-CB 3.49Å; V274-V277 PolarHBondContact O-N 3.14Å; V274-R278 WeakPolarHBondContact O-CG 3.25Å; V274-R278 PolarHBondContact O-N 3.35Å; V274-I307 HydrophobicContact CG2-CD1 4.23Å |
| 275 | I | 95.3 | Very high | 95.6 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 9% | 0.092 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.3 | -37.4 | 178.4 | -65.9 | -57.7 | 0 | 0 | 0 | 111.3 | N245 V248 F252 L271 T272 G273 V277 R278 L279 | N245-I275 HydrophobicContact CB-CD1 4.04Å; N245-I275 HydrophobicContact CB-CG1 3.7Å; N245-I275 VanDerWaalsContact CG-CG1 3.44Å; N245-I275 VanDerWaalsContact OD1-CG1 3.23Å; N245-I275 WeakPolarHBondContact OD1-CG1 3.44Å; V248-I275 HydrophobicContact CG2-CG2 3.41Å; V248-I275 VanDerWaalsContact CG2-CG2 3.41Å; F252-I275 HydrophobicContact CZ-CD1 4.01Å; F252-I275 HydrophobicContact CZ-CG2 4.3Å; L271-I275 HydrophobicContact CB-CG2 4.45Å; L271-I275 HydrophobicContact CD2-CG2 4.33Å; T272-I275 WeakPolarHBondContact O-CB 3.35Å; T272-I275 PolarHBondContact O-N 3.44Å; G273-I275 VanDerWaalsContact C-N 3.32Å; G273-I275 PolarHBondContact O-N 3.18Å; I275-V277 VanDerWaalsContact C-N 3.27Å; I275-V277 PolarHBondContact O-N 2.68Å; I275-R278 PolarHBondContact O-N 2.77Å; I275-R278 VanDerWaalsContact O-N 3.15Å; I275-L279 HydrophobicContact CG2-CD1 4.29Å; I275-L279 HydrophobicContact CG2-CG 4.42Å; I275-L279 WeakPolarHBondContact O-CG 3.31Å; I275-L279 PolarHBondContact O-N 2.88Å |
| 276 | L | 96.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.7 | -39.5 | 175.5 | -55.4 | -174.4 | 0 | 0 | 0 | 111.5 | L271 T272 G273 L279 L280 L295 Q298 L303 L311 L326 | L271-L276 HydrophobicContact CB-CD2 3.92Å; L271-L276 HydrophobicContact CD1-CD2 4.23Å; T272-L276 WeakPolarHBondContact O-CG 3.45Å; T272-L276 PolarHBondContact O-N 2.87Å; T272-L276 VanDerWaalsContact O-N 3.12Å; G273-L276 PolarHBondContact O-N 3.49Å; L276-L279 HydrophobicContact CD2-CD1 4.42Å; L276-L279 PolarHBondContact O-N 2.96Å; L276-L280 PolarHBondContact O-N 3.49Å; L276-L280 VanDerWaalsContact O-N 3.08Å; L276-L295 HydrophobicContact CD2-CB 4.16Å; L276-L295 HydrophobicContact CD2-CD1 4.15Å; L276-L295 HydrophobicContact CD2-CD2 4.28Å; L276-L295 HydrophobicContact CD2-CG 4.42Å; L276-Q298 HydrophobicContact CD1-CG 4.46Å; L276-L303 HydrophobicContact CD1-CD1 4.21Å; L276-L303 HydrophobicContact CD1-CD2 4.14Å; L276-L311 HydrophobicContact CB-CD2 3.99Å; L276-L326 HydrophobicContact CD1-CD1 3.8Å |
| 277 | V | 96.9 | Very high | 95 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -50.3 | 172.5 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | G273 V274 I275 L279 L280 E281 I307 N310 L311 L314 | G273-V277 WeakPolarHBondContact O-CG2 3.42Å; G273-V277 PolarHBondContact O-N 3.04Å; G273-V277 VanDerWaalsContact O-N 3.11Å; V274-V277 WeakPolarHBondContact O-CB 3.49Å; V274-V277 PolarHBondContact O-N 3.14Å; I275-V277 VanDerWaalsContact C-N 3.27Å; I275-V277 PolarHBondContact O-N 2.68Å; V277-L279 VanDerWaalsContact C-N 3.33Å; V277-L279 PolarHBondContact O-N 2.68Å; V277-L280 PolarHBondContact O-N 3.4Å; V277-L280 VanDerWaalsContact O-N 3.12Å; V277-E281 HydrophobicContact CG1-CG 4.37Å; V277-E281 WeakPolarHBondContact O-CG 3.41Å; V277-E281 PolarHBondContact O-N 3.04Å; V277-I307 HydrophobicContact CG2-CG2 4.08Å; V277-N310 VanDerWaalsContact CG1-ND2 3.28Å; V277-N310 WeakPolarHBondContact CG1-ND2 3.44Å; V277-N310 HydrophobicContact CG2-CB 4.37Å; V277-L311 HydrophobicContact CB-CD2 4.21Å; V277-L311 HydrophobicContact CG2-CD2 3.49Å; V277-L311 VanDerWaalsContact CG2-CD2 3.49Å; V277-L311 HydrophobicContact CG2-CG 3.82Å; V277-L314 HydrophobicContact CG1-CD1 3.87Å |
| 278 | R | 97.2 | Very high | 94.9 | Very high | 135 Ų | 135 | 45.7 Ų | 45.7 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -39.4 | 179.1 | -67.5 | -56.3 | -152.9 | 117.9 | 6 | 112.9 | F252 V274 I275 L280 E281 S282 | F252-R278 HydrophobicContact CD1-CB 4.14Å; F252-R278 HydrophobicContact CE1-CB 3.55Å; F252-R278 HydrophobicContact CE2-CB 4.21Å; F252-R278 HydrophobicContact CZ-CB 3.6Å; F252-R278 HydrophobicContact CZ-CG 4.34Å; V274-R278 WeakPolarHBondContact O-CG 3.25Å; V274-R278 PolarHBondContact O-N 3.35Å; I275-R278 PolarHBondContact O-N 2.77Å; I275-R278 VanDerWaalsContact O-N 3.15Å; R278-L280 VanDerWaalsContact C-N 3.34Å; R278-L280 PolarHBondContact O-N 2.85Å; R278-E281 WeakPolarHBondContact CD-OE2 3.35Å; R278-E281 IonicContact NE-OE2 3.82Å; R278-E281 PolarHBondContact O-N 3.11Å; R278-S282 PolarHBondContact O-N 3.43Å; R278-S282 PolarHBondContact O-OG 3.02Å |
| 279 | L | 97.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 174.6 | -73.5 | 172.1 | 0 | 0 | 0 | 111.3 | F251 F252 L255 L266 L271 I275 L276 V277 S282 I283 L295 | F251-L279 HydrophobicContact CB-CD2 4.07Å; F252-L279 HydrophobicContact CD1-CD2 4.03Å; F252-L279 HydrophobicContact CE1-CD2 3.79Å; F252-L279 HydrophobicContact CE1-CG 3.94Å; L255-L279 HydrophobicContact CD1-CD2 3.78Å; L266-L279 HydrophobicContact CD1-CD1 3.99Å; L271-L279 HydrophobicContact CD1-CD1 4.2Å; I275-L279 HydrophobicContact CG2-CD1 4.29Å; I275-L279 HydrophobicContact CG2-CG 4.42Å; I275-L279 WeakPolarHBondContact O-CG 3.31Å; I275-L279 PolarHBondContact O-N 2.88Å; L276-L279 HydrophobicContact CD2-CD1 4.42Å; L276-L279 PolarHBondContact O-N 2.96Å; V277-L279 VanDerWaalsContact C-N 3.33Å; V277-L279 PolarHBondContact O-N 2.68Å; L279-S282 PolarHBondContact O-N 3.09Å; L279-I283 PolarHBondContact O-N 3.01Å; L279-L295 HydrophobicContact CD1-CD2 3.87Å |
| 280 | L | 96.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -41.3 | 176.2 | -75.6 | 178.5 | 0 | 0 | 0 | 112.6 | L276 V277 R278 S282 I283 S284 L293 L311 L314 I315 L321 | L276-L280 PolarHBondContact O-N 3.49Å; L276-L280 VanDerWaalsContact O-N 3.08Å; V277-L280 PolarHBondContact O-N 3.4Å; V277-L280 VanDerWaalsContact O-N 3.12Å; R278-L280 VanDerWaalsContact C-N 3.34Å; R278-L280 PolarHBondContact O-N 2.85Å; L280-S282 VanDerWaalsContact C-N 3.31Å; L280-S282 PolarHBondContact O-N 3.17Å; L280-I283 HydrophobicContact CD2-CD1 4.07Å; L280-I283 HydrophobicContact CD2-CG1 4.48Å; L280-I283 VanDerWaalsContact O-CG1 3.27Å; L280-I283 WeakPolarHBondContact O-CG1 3.5Å; L280-I283 PolarHBondContact O-N 3.4Å; L280-S284 PolarHBondContact O-N 3.4Å; L280-S284 VanDerWaalsContact O-N 3.14Å; L280-S284 PolarHBondContact O-OG 3.1Å; L280-L293 HydrophobicContact CD2-CD2 3.55Å; L280-L293 HydrophobicContact CG-CD2 4.5Å; L280-L311 HydrophobicContact CD1-CB 4.3Å; L280-L311 HydrophobicContact CD1-CD2 3.53Å; L280-L314 HydrophobicContact CB-CB 4.21Å; L280-L314 HydrophobicContact CB-CD1 3.99Å; L280-L314 HydrophobicContact CD1-CB 4.39Å; L280-I315 HydrophobicContact CD1-CD1 4.13Å; L280-I315 HydrophobicContact CD1-CG1 3.82Å; L280-I315 HydrophobicContact CD2-CG1 4.33Å; L280-L321 HydrophobicContact CD2-CD1 4.3Å |
| 281 | E | 96.9 | Very high | 95 | Very high | 80 Ų | 80 | 42.5 Ų | 42.5 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.4 | -45.7 | 173.4 | -72.4 | 173.6 | 174.8 | 0 | 0 | 110.7 | V277 R278 I283 S284 L314 | V277-E281 HydrophobicContact CG1-CG 4.37Å; V277-E281 WeakPolarHBondContact O-CG 3.41Å; V277-E281 PolarHBondContact O-N 3.04Å; R278-E281 WeakPolarHBondContact CD-OE2 3.35Å; R278-E281 IonicContact NE-OE2 3.82Å; R278-E281 PolarHBondContact O-N 3.11Å; E281-I283 PolarHBondContact O-N 3.21Å; E281-S284 WeakPolarHBondContact O-CB 3.43Å; E281-S284 PolarHBondContact O-N 3.39Å; E281-S284 VanDerWaalsContact O-N 3.1Å; E281-L314 HydrophobicContact CG-CD1 3.78Å; E281-L314 HydrophobicContact CG-CD2 4.05Å |
| 282 | S | 96.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -27.5 | 179.5 | -73.2 | 0 | 0 | 0 | 0 | 113.9 | F252 R278 L279 L280 H285 | F252-S282 WeakPolarHBondContact CA-OG 3.44Å; F252-S282 WeakPolarHBondContact CB-OG 3.5Å; F252-S282 PolarHBondContact O-OG 3.05Å; R278-S282 PolarHBondContact O-N 3.43Å; R278-S282 PolarHBondContact O-OG 3.02Å; L279-S282 PolarHBondContact O-N 3.09Å; L280-S282 VanDerWaalsContact C-N 3.31Å; L280-S282 PolarHBondContact O-N 3.17Å; S282-H285 PolarHBondContact O-CE1 3.13Å; S282-H285 PolarHBondContact O-ND1 2.86Å |
| 283 | I | 96.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 1.9 | 177.9 | 66.9 | 163.8 | 0 | 0 | 0 | 114.2 | L255 L279 L280 E281 H285 S288 I290 L293 N318 R320 L321 | L255-I283 HydrophobicContact CB-CG2 4.03Å; L255-I283 HydrophobicContact CD1-CG2 3.87Å; L255-I283 HydrophobicContact CD2-CG2 3.79Å; L255-I283 HydrophobicContact CG-CG2 4.08Å; L279-I283 PolarHBondContact O-N 3.01Å; L280-I283 HydrophobicContact CD2-CD1 4.07Å; L280-I283 HydrophobicContact CD2-CG1 4.48Å; L280-I283 VanDerWaalsContact O-CG1 3.27Å; L280-I283 WeakPolarHBondContact O-CG1 3.5Å; L280-I283 PolarHBondContact O-N 3.4Å; E281-I283 PolarHBondContact O-N 3.21Å; I283-H285 VanDerWaalsContact C-N 3.32Å; I283-H285 PolarHBondContact O-N 3.15Å; I283-S288 VanDerWaalsContact O-CB 3.26Å; I283-S288 WeakPolarHBondContact O-CB 3.41Å; I283-I290 HydrophobicContact CD1-CB 4.43Å; I283-I290 HydrophobicContact CD1-CG2 4.04Å; I283-I290 HydrophobicContact CG2-CB 4.34Å; I283-I290 HydrophobicContact CG2-CG1 3.95Å; I283-L293 HydrophobicContact CD1-CD2 3.76Å; I283-N318 PolarHBondContact O-ND2 2.85Å; I283-R320 PolarHBondContact O-NH2 3.5Å; I283-L321 HydrophobicContact CD1-CD1 4.37Å; I283-L321 HydrophobicContact CD1-CD2 4.03Å |
| 284 | S | 94.2 | Very high | 95.5 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 30% | 0.301 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -28 | -176.1 | -69.2 | 0 | 0 | 0 | 0 | 112.6 | L280 E281 R320 | L280-S284 PolarHBondContact O-N 3.4Å; L280-S284 VanDerWaalsContact O-N 3.14Å; L280-S284 PolarHBondContact O-OG 3.1Å; E281-S284 WeakPolarHBondContact O-CB 3.43Å; E281-S284 PolarHBondContact O-N 3.39Å; E281-S284 VanDerWaalsContact O-N 3.1Å; S284-R320 PolarHBondContact O-NH2 3.14Å |
| 285 | H | 92.5 | Very high | 95.6 | Very high | 57 Ų | 57 | 39.2 Ų | 39.2 | 26% | 0.264 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -59.9 | 145 | 179.9 | 69.6 | -81.6 | 0 | 0 | 0 | 113 | L255 S282 I283 K287 S288 R320 | L255-H285 PolarHBondContact O-CE1 3.1Å; S282-H285 PolarHBondContact O-CE1 3.13Å; S282-H285 PolarHBondContact O-ND1 2.86Å; I283-H285 VanDerWaalsContact C-N 3.32Å; I283-H285 PolarHBondContact O-N 3.15Å; H285-K287 PolarHBondContact O-N 3.36Å; H285-K287 VanDerWaalsContact O-N 3.09Å; H285-S288 PolarHBondContact CD2-N 3.27Å; H285-S288 WeakPolarHBondContact NE2-CA 3.45Å; H285-S288 PolarHBondContact NE2-N 3.36Å; H285-S288 VanDerWaalsContact NE2-N 3.2Å; H285-S288 WeakPolarHBondContact O-CB 3.34Å; H285-S288 PolarHBondContact O-N 2.83Å; H285-R320 PolarHBondContact O-NH2 3.45Å |
| 286 | E | 90.4 | Very high | 95.6 | Very high | 175 Ų | 175 | 39 Ų | 39 | 82% | 0.818 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -29.1 | -167.6 | -64.9 | -176.1 | 169.1 | 0 | 0 | 115.5 | S288 | E286-S288 VanDerWaalsContact C-N 3.3Å; E286-S288 PolarHBondContact O-N 2.93Å |
| 287 | K | 92.4 | Very high | 95.4 | Very high | 165 Ų | 165 | 44 Ų | 44 | 72% | 0.717 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -3.8 | -178.2 | -57.2 | -177.8 | -179.7 | 178 | 0 | 113.7 | T259 H285 G289 | T259-K287 VanDerWaalsContact CB-O 3.23Å; T259-K287 WeakPolarHBondContact CB-O 3.43Å; T259-K287 HydrophobicContact CG2-CB 3.8Å; T259-K287 WeakPolarHBondContact CG2-O 3.4Å; H285-K287 PolarHBondContact O-N 3.36Å; H285-K287 VanDerWaalsContact O-N 3.09Å; K287-G289 PolarHBondContact O-N 2.93Å |
| 288 | S | 93.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | trans | -61.8 | 128.9 | -178.3 | -172.1 | 0 | 0 | 0 | 0 | 110.8 | I283 H285 E286 I290 R320 | I283-S288 VanDerWaalsContact O-CB 3.26Å; I283-S288 WeakPolarHBondContact O-CB 3.41Å; H285-S288 PolarHBondContact CD2-N 3.27Å; H285-S288 WeakPolarHBondContact NE2-CA 3.45Å; H285-S288 PolarHBondContact NE2-N 3.36Å; H285-S288 VanDerWaalsContact NE2-N 3.2Å; H285-S288 WeakPolarHBondContact O-CB 3.34Å; H285-S288 PolarHBondContact O-N 2.83Å; E286-S288 VanDerWaalsContact C-N 3.3Å; E286-S288 PolarHBondContact O-N 2.93Å; S288-I290 VanDerWaalsContact C-N 3.31Å; S288-R320 PolarHBondContact O-NE 3.07Å | ||
| 289 | G | 93.2 | Very high | 94.8 | Very high | 17 Ų | 17 | 46.9 Ų | 46.9 | 18% | 0.175 | 23% | 0.228 | C | C | . | . | trans | -79.2 | -10.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T259 L261 K262 K287 T291 | T259-G289 WeakPolarHBondContact O-CA 3.39Å; L261-G289 CarbonylContact O-C 3.55Å; K262-G289 WeakPolarHBondContact CA-O 3.5Å; K287-G289 PolarHBondContact O-N 2.93Å; G289-T291 PolarHBondContact O-N 2.87Å | ||
| 290 | I | 97.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | trans | -70.3 | 118.8 | -170.7 | -60.2 | -72.4 | 0 | 0 | 0 | 110.8 | L255 L261 L264 I283 S288 L293 L321 | L255-I290 HydrophobicContact CD2-CD1 4.1Å; L255-I290 HydrophobicContact CD2-CG1 4.07Å; L261-I290 HydrophobicContact CB-CD1 4.05Å; L261-I290 HydrophobicContact CD2-CD1 3.95Å; L261-I290 HydrophobicContact CG-CD1 3.83Å; L261-I290 VanDerWaalsContact O-CD1 3.25Å; L261-I290 WeakPolarHBondContact O-CD1 3.26Å; L261-I290 PolarHBondContact O-N 3.22Å; L264-I290 HydrophobicContact CB-CD1 4.04Å; I283-I290 HydrophobicContact CD1-CB 4.43Å; I283-I290 HydrophobicContact CD1-CG2 4.04Å; I283-I290 HydrophobicContact CG2-CB 4.34Å; I283-I290 HydrophobicContact CG2-CG1 3.95Å; S288-I290 VanDerWaalsContact C-N 3.31Å; I290-L293 HydrophobicContact CG2-CB 4.2Å; I290-L321 HydrophobicContact CG2-CD2 4.21Å | ||
| 291 | T | 96.1 | Very high | 93.4 | Very high | 43 Ų | 43 | 54.2 Ų | 54.2 | 26% | 0.264 | 27% | 0.273 | S | S | . | . | trans | -111.6 | -29 | 175 | 57 | 0 | 0 | 0 | 0 | 112.5 | K262 G289 V322 R323 | K262-T291 PolarHBondContact O-N 3.02Å; K262-T291 PolarHBondContact O-OG1 2.96Å; G289-T291 PolarHBondContact O-N 2.87Å; T291-V322 PolarHBondContact O-N 3.23Å; T291-R323 PolarHBondContact O-N 3.22Å; T291-R323 VanDerWaalsContact O-N 3.09Å | ||
| 292 | D | 97.5 | Very high | 92.8 | Very high | 15 Ų | 15 | 54.8 Ų | 54.8 | 8% | 0.08 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 110.4 | -174.3 | -60.3 | -132.4 | 0 | 0 | 0 | 108.3 | K262 V263 L264 R323 | K262-D292 PolarHBondContact O-N 3.36Å; V263-D292 WeakPolarHBondContact CA-O 3.48Å; V263-D292 HydrophobicContact CB-CB 4.19Å; V263-D292 HydrophobicContact CG1-CB 3.96Å; V263-D292 HydrophobicContact CG2-CB 3.91Å; L264-D292 PolarHBondContact N-O 3.21Å; D292-R323 WeakPolarHBondContact CA-O 3.44Å; D292-R323 HydrophobicContact CB-CB 4.08Å; D292-R323 WeakPolarHBondContact OD1-CD 3.37Å; D292-R323 WeakPolarHBondContact OD1-CG 3.42Å; D292-R323 IonicContact OD1-CZ 3.95Å; D292-R323 IonicContact OD1-NE 2.73Å; D292-R323 IonicContact OD1-NH1 3.01Å; D292-R323 PolarHBondContact OD1-NH1 2.97Å |
| 293 | L | 97.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 120.4 | -177.8 | -178.1 | 65.6 | 0 | 0 | 0 | 110.3 | L264 L280 I283 I290 L295 L321 R323 L324 G325 | L264-L293 HydrophobicContact CB-CD1 4.07Å; L264-L293 HydrophobicContact CD2-CD1 3.97Å; L264-L293 HydrophobicContact CG-CD1 4.13Å; L280-L293 HydrophobicContact CD2-CD2 3.55Å; L280-L293 HydrophobicContact CG-CD2 4.5Å; I283-L293 HydrophobicContact CD1-CD2 3.76Å; I290-L293 HydrophobicContact CG2-CB 4.2Å; L293-L295 HydrophobicContact CD1-CD1 4.2Å; L293-L295 HydrophobicContact CD1-CD2 4.19Å; L293-L295 HydrophobicContact CD1-CG 4.08Å; L293-L295 HydrophobicContact CD2-CD1 3.65Å; L293-L295 HydrophobicContact CD2-CG 4.29Å; L293-L295 HydrophobicContact CG-CD1 3.83Å; L293-L295 HydrophobicContact CG-CG 3.88Å; L293-L321 HydrophobicContact CB-CD2 4.1Å; L293-R323 PolarHBondContact N-O 3.08Å; L293-L324 HydrophobicContact CB-CD1 4.29Å; L293-L324 HydrophobicContact CD2-CD1 4.28Å; L293-L324 HydrophobicContact CG-CD1 4.48Å; L293-L324 CarbonylContact O-C 3.54Å; L293-L324 VanDerWaalsContact O-CA 3.29Å; L293-L324 WeakPolarHBondContact O-CA 3.43Å; L293-G325 PolarHBondContact O-N 3.41Å |
| 294 | H | 97.6 | Very high | 92 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 19% | 0.194 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 108.8 | -175.6 | -67.7 | -88.7 | 0 | 0 | 0 | 109.9 | L264 N265 L266 E267 | L264-H294 PolarHBondContact O-N 2.87Å; N265-H294 HydrophobicContact CB-CB 3.79Å; N265-H294 WeakPolarHBondContact OD1-CB 3.07Å; L266-H294 CarbonylContact C-O 3.53Å; L266-H294 PolarHBondContact N-O 3.14Å; E267-H294 HydrophobicContact CG-CB 3.88Å; E267-H294 PolarHBondContact N-O 2.58Å; E267-H294 WeakPolarHBondContact OE1-CB 3.3Å; E267-H294 IonicContact OE1-CG 3.42Å; E267-H294 IonicContact OE1-ND1 3.39Å; E267-H294 PolarHBondContact OE1-ND1 2.95Å |
| 295 | L | 96 | Very high | 91.9 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | trans | -131 | 11.5 | -174.3 | -60.8 | 174.9 | 0 | 0 | 0 | 112.2 | L266 L276 L279 L293 Q298 G325 L326 | L266-L295 HydrophobicContact CB-CD2 3.97Å; L266-L295 HydrophobicContact CD1-CD2 4.16Å; L266-L295 HydrophobicContact CG-CD2 4.41Å; L276-L295 HydrophobicContact CD2-CB 4.16Å; L276-L295 HydrophobicContact CD2-CD1 4.15Å; L276-L295 HydrophobicContact CD2-CD2 4.28Å; L276-L295 HydrophobicContact CD2-CG 4.42Å; L279-L295 HydrophobicContact CD1-CD2 3.87Å; L293-L295 HydrophobicContact CD1-CD1 4.2Å; L293-L295 HydrophobicContact CD1-CD2 4.19Å; L293-L295 HydrophobicContact CD1-CG 4.08Å; L293-L295 HydrophobicContact CD2-CD1 3.65Å; L293-L295 HydrophobicContact CD2-CG 4.29Å; L293-L295 HydrophobicContact CG-CD1 3.83Å; L293-L295 HydrophobicContact CG-CG 3.88Å; L295-Q298 VanDerWaalsContact O-CG 3.27Å; L295-Q298 WeakPolarHBondContact O-CG 3.17Å; L295-Q298 PolarHBondContact O-NE2 3.13Å; L295-G325 CarbonylContact C-O 3.05Å; L295-G325 WeakPolarHBondContact CA-O 3.35Å; L295-G325 PolarHBondContact N-O 2.8Å; L295-L326 HydrophobicContact CB-CD1 4.19Å | ||
| 296 | A | 93.5 | Very high | 91.9 | Very high | 13 Ų | 13 | 65.9 Ų | 65.9 | 11% | 0.107 | 34% | 0.34 | C | S | . | . | trans | -71.4 | 170.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E267 S268 Q298 G325 | E267-A296 VanDerWaalsContact CA-O 3.28Å; E267-A296 WeakPolarHBondContact CA-O 3.48Å; E267-A296 HydrophobicContact CG-CB 4.23Å; S268-A296 PolarHBondContact N-O 3.49Å; A296-Q298 VanDerWaalsContact C-N 3.3Å; A296-Q298 PolarHBondContact O-N 3.4Å; A296-Q298 PolarHBondContact O-NE2 3.47Å; A296-G325 PolarHBondContact N-O 3.13Å; A296-G325 VanDerWaalsContact N-O 3.17Å | ||
| 297 | N | 93.5 | Very high | 92.1 | Very high | 106 Ų | 106 | 59.5 Ų | 59.5 | 57% | 0.567 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 56.3 | 37.1 | 175.9 | -167 | 38.3 | 0 | 0 | 0 | 114 | S268 D327 | S268-N297 WeakPolarHBondContact CA-O 3.4Å; S268-N297 PolarHBondContact OG-ND2 3.22Å; N297-D327 PolarHBondContact N-OD2 2.69Å |
| 298 | Q | 94.2 | Very high | 92.2 | Very high | 17 Ų | 17 | 51.8 Ų | 51.8 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | trans | -70.1 | 155.2 | 174.7 | -56.9 | -57.5 | -36.4 | 0 | 0 | 110.8 | L266 N269 L271 L276 L295 A296 Q300 | L266-Q298 PolarHBondContact O-NE2 3.5Å; N269-Q298 PolarHBondContact O-OE1 3.1Å; N269-Q298 VanDerWaalsContact O-OE1 3.08Å; L271-Q298 HydrophobicContact CB-CG 4.37Å; L271-Q298 WeakPolarHBondContact O-CB 3.46Å; L276-Q298 HydrophobicContact CD1-CG 4.46Å; L295-Q298 VanDerWaalsContact O-CG 3.27Å; L295-Q298 WeakPolarHBondContact O-CG 3.17Å; L295-Q298 PolarHBondContact O-NE2 3.13Å; A296-Q298 VanDerWaalsContact C-N 3.3Å; A296-Q298 PolarHBondContact O-N 3.4Å; A296-Q298 PolarHBondContact O-NE2 3.47Å; Q298-Q300 PolarHBondContact O-N 2.61Å | ||
| 299 | R | 87.7 | Confident | 92.3 | Very high | 190 Ų | 190 | 59.7 Ų | 59.7 | 72% | 0.717 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -57.4 | -32.9 | 176.2 | 179.5 | 56.4 | -179.7 | -98.8 | -1.9 | 112.9 | N269 F270 S301 | N269-R299 PolarHBondContact O-N 3.26Å; F270-R299 HydrophobicContact CD1-CB 3.6Å; F270-R299 HydrophobicContact CD1-CG 3.81Å; F270-R299 HydrophobicContact CE1-CB 4.08Å; F270-R299 HydrophobicContact CE1-CG 4.05Å; F270-R299 HydrophobicContact CG-CB 4.41Å; R299-S301 PolarHBondContact O-N 3.41Å |
| 300 | Q | 85.7 | Confident | 92.4 | Very high | 66 Ų | 66 | 61.7 Ų | 61.7 | 31% | 0.308 | 31% | 0.313 | S | S | . | . | trans | -77 | 101.8 | 173 | -176.9 | 180 | 1 | 0 | 0 | 109.3 | T272 Q298 V302 L303 | T272-Q300 VanDerWaalsContact CB-OE1 3.26Å; Q298-Q300 PolarHBondContact O-N 2.61Å; Q300-V302 WeakPolarHBondContact CG-O 3.32Å; Q300-V302 PolarHBondContact NE2-O 3.25Å; Q300-L303 HydrophobicContact CG-CD2 4.4Å | ||
| 301 | S | 77.4 | Confident | 92.4 | Very high | 92 Ų | 92 | 61.5 Ų | 61.5 | 64% | 0.643 | 31% | 0.313 | S | S | * | . | trans | -71 | -29.3 | -179.4 | -172.9 | 0 | 0 | 0 | 0 | 113.6 | R299 | R299-S301 PolarHBondContact O-N 3.41Š| ||
| 302 | V | 85.4 | Confident | 92.4 | Very high | 92 Ų | 92 | 59.9 Ų | 59.9 | 56% | 0.558 | 30% | 0.302 | S | S | * | . | trans | -121.6 | 112.9 | -177 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | Q300 | Q300-V302 WeakPolarHBondContact CG-O 3.32Å; Q300-V302 PolarHBondContact NE2-O 3.25Å | ||
| 303 | L | 87.8 | Confident | 92.4 | Very high | 13 Ų | 13 | 63.9 Ų | 63.9 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | trans | -80.4 | -31.2 | -180 | -57.8 | -178.9 | 0 | 0 | 0 | 112.3 | L276 Q300 I307 E308 L311 L328 | L276-L303 HydrophobicContact CD1-CD1 4.21Å; L276-L303 HydrophobicContact CD1-CD2 4.14Å; Q300-L303 HydrophobicContact CG-CD2 4.4Å; L303-I307 HydrophobicContact CB-CG2 4.13Å; L303-I307 VanDerWaalsContact O-CD1 3.32Å; L303-I307 WeakPolarHBondContact O-CD1 3.36Å; L303-E308 HydrophobicContact CB-CG 3.99Å; L303-E308 HydrophobicContact CD1-CG 4.49Å; L303-L311 HydrophobicContact CD1-CD1 3.69Å; L303-L328 HydrophobicContact CD1-CD2 4.29Å | ||
| 304 | G | 88.8 | Confident | 92.3 | Very high | 30 Ų | 30 | 65.1 Ų | 65.1 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | trans | 90.2 | 145.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K306 I307 E308 | G304-K306 VanDerWaalsContact C-N 3.3Å; G304-K306 PolarHBondContact O-N 2.87Å; G304-K306 VanDerWaalsContact O-N 3.17Å; G304-I307 PolarHBondContact O-N 3.49Å; G304-E308 PolarHBondContact O-N 3.44Å | ||
| 305 | V | 90.9 | Very high | 92.3 | Very high | 106 Ų | 106 | 63.1 Ų | 63.1 | 64% | 0.642 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -55.8 | -39.5 | -169.1 | -179.4 | 0 | 0 | 0 | 0 | 113.3 | R309 | V305-R309 WeakPolarHBondContact O-CB 3.46Å; V305-R309 PolarHBondContact O-N 3.42Å |
| 306 | K | 92.9 | Very high | 92.3 | Very high | 190 Ų | 190 | 66.1 Ų | 66.1 | 83% | 0.826 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 179.5 | -175.4 | 177.1 | 178.9 | 179.9 | 0 | 112 | G304 N310 | G304-K306 VanDerWaalsContact C-N 3.3Å; G304-K306 PolarHBondContact O-N 2.87Å; G304-K306 VanDerWaalsContact O-N 3.17Å; K306-N310 PolarHBondContact O-N 3.47Å |
| 307 | I | 94.1 | Very high | 92.4 | Very high | 41 Ų | 41 | 69.2 Ų | 69.2 | 21% | 0.21 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.7 | -46.9 | 178.2 | -72.7 | 170.6 | 0 | 0 | 0 | 109.6 | V274 V277 L303 G304 R309 N310 L311 | V274-I307 HydrophobicContact CG2-CD1 4.23Å; V277-I307 HydrophobicContact CG2-CG2 4.08Å; L303-I307 HydrophobicContact CB-CG2 4.13Å; L303-I307 VanDerWaalsContact O-CD1 3.32Å; L303-I307 WeakPolarHBondContact O-CD1 3.36Å; G304-I307 PolarHBondContact O-N 3.49Å; I307-R309 VanDerWaalsContact C-N 3.28Å; I307-R309 PolarHBondContact O-N 3.48Å; I307-N310 WeakPolarHBondContact O-CB 3.15Å; I307-N310 PolarHBondContact O-N 3.02Å; I307-L311 HydrophobicContact CG2-CD1 3.77Å; I307-L311 HydrophobicContact CG2-CG 4.11Å; I307-L311 WeakPolarHBondContact O-CG 3.42Å; I307-L311 PolarHBondContact O-N 2.88Å |
| 308 | E | 95.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.4 | -37.2 | 179.3 | -67.7 | -172.4 | 179.8 | 0 | 0 | 113 | L303 G304 T312 L328 E329 T330 A333 | L303-E308 HydrophobicContact CB-CG 3.99Å; L303-E308 HydrophobicContact CD1-CG 4.49Å; G304-E308 PolarHBondContact O-N 3.44Å; E308-T312 WeakPolarHBondContact O-CB 3.06Å; E308-T312 PolarHBondContact O-N 2.94Å; E308-T312 PolarHBondContact O-OG1 3.31Å; E308-L328 HydrophobicContact CB-CD2 4.18Å; E308-L328 HydrophobicContact CG-CD2 3.82Å; E308-E329 WeakPolarHBondContact OE1-CB 3.46Å; E308-E329 PolarHBondContact OE1-N 2.98Å; E308-E329 PolarHBondContact OE2-N 2.95Å; E308-T330 WeakPolarHBondContact OE2-CA 3.26Å; E308-T330 WeakPolarHBondContact OE2-CB 3.38Å; E308-T330 PolarHBondContact OE2-N 3.27Å; E308-T330 PolarHBondContact OE2-OG1 3.24Å; E308-A333 HydrophobicContact CB-CB 4.48Å |
| 309 | R | 95 | Very high | 92.4 | Very high | 171 Ų | 171 | 66.3 Ų | 66.3 | 65% | 0.645 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.9 | -47.1 | 172.4 | 179.2 | 177.7 | 173.1 | 168.4 | -0.3 | 111.6 | V305 I307 T312 E313 | V305-R309 WeakPolarHBondContact O-CB 3.46Å; V305-R309 PolarHBondContact O-N 3.42Å; I307-R309 VanDerWaalsContact C-N 3.28Å; I307-R309 PolarHBondContact O-N 3.48Å; R309-T312 WeakPolarHBondContact O-CB 3.27Å; R309-T312 PolarHBondContact O-N 3.3Å; R309-E313 IonicContact CZ-OE1 2.69Å; R309-E313 IonicContact NE-OE1 3.58Å; R309-E313 PolarHBondContact NE-OE1 3.34Å; R309-E313 IonicContact NH2-OE1 2.69Å; R309-E313 PolarHBondContact NH2-OE1 2.94Å; R309-E313 WeakPolarHBondContact O-CG 3.35Å; R309-E313 PolarHBondContact O-N 3.14Å |
| 310 | N | 96.2 | Very high | 92.6 | Very high | 59 Ų | 59 | 60 Ų | 60 | 32% | 0.316 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 178.7 | -169.2 | 4.8 | 0 | 0 | 0 | 111.5 | V277 K306 I307 T312 E313 L314 | V277-N310 VanDerWaalsContact CG1-ND2 3.28Å; V277-N310 WeakPolarHBondContact CG1-ND2 3.44Å; V277-N310 HydrophobicContact CG2-CB 4.37Å; K306-N310 PolarHBondContact O-N 3.47Å; I307-N310 WeakPolarHBondContact O-CB 3.15Å; I307-N310 PolarHBondContact O-N 3.02Å; N310-T312 VanDerWaalsContact C-N 3.25Å; N310-T312 PolarHBondContact O-N 3.08Å; N310-E313 PolarHBondContact O-N 2.76Å; N310-L314 WeakPolarHBondContact O-CG 3.22Å; N310-L314 PolarHBondContact O-N 3.12Å |
| 311 | L | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54 | -45.9 | 173.4 | -66.7 | 171.6 | 0 | 0 | 0 | 110.8 | L276 V277 L280 L303 I307 L314 I315 L326 L328 | L276-L311 HydrophobicContact CB-CD2 3.99Å; V277-L311 HydrophobicContact CB-CD2 4.21Å; V277-L311 HydrophobicContact CG2-CD2 3.49Å; V277-L311 VanDerWaalsContact CG2-CD2 3.49Å; V277-L311 HydrophobicContact CG2-CG 3.82Å; L280-L311 HydrophobicContact CD1-CB 4.3Å; L280-L311 HydrophobicContact CD1-CD2 3.53Å; L303-L311 HydrophobicContact CD1-CD1 3.69Å; I307-L311 HydrophobicContact CG2-CD1 3.77Å; I307-L311 HydrophobicContact CG2-CG 4.11Å; I307-L311 WeakPolarHBondContact O-CG 3.42Å; I307-L311 PolarHBondContact O-N 2.88Å; L311-L314 PolarHBondContact O-N 3.35Å; L311-I315 WeakPolarHBondContact O-CB 3.24Å; L311-I315 VanDerWaalsContact O-CD1 3.26Å; L311-I315 WeakPolarHBondContact O-CD1 3.1Å; L311-I315 WeakPolarHBondContact O-CG1 3.23Å; L311-I315 PolarHBondContact O-N 3.1Å; L311-L326 HydrophobicContact CB-CD2 4.47Å; L311-L326 HydrophobicContact CD1-CD2 4.26Å; L311-L328 HydrophobicContact CD1-CD2 4.15Å |
| 312 | T | 96.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 53.4 Ų | 53.4 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.5 | -48 | 178.4 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | E308 R309 N310 L314 I315 L316 A333 R336 T337 | E308-T312 WeakPolarHBondContact O-CB 3.06Å; E308-T312 PolarHBondContact O-N 2.94Å; E308-T312 PolarHBondContact O-OG1 3.31Å; R309-T312 WeakPolarHBondContact O-CB 3.27Å; R309-T312 PolarHBondContact O-N 3.3Å; N310-T312 VanDerWaalsContact C-N 3.25Å; N310-T312 PolarHBondContact O-N 3.08Å; T312-L314 VanDerWaalsContact C-N 3.34Å; T312-L314 PolarHBondContact O-N 2.91Å; T312-I315 PolarHBondContact O-N 3.24Å; T312-L316 HydrophobicContact CG2-CD1 3.87Å; T312-L316 HydrophobicContact CG2-CG 4.22Å; T312-L316 WeakPolarHBondContact O-CB 3.19Å; T312-L316 VanDerWaalsContact O-CG 3.22Å; T312-L316 WeakPolarHBondContact O-CG 3.11Å; T312-L316 PolarHBondContact O-N 2.76Å; T312-A333 VanDerWaalsContact OG1-CB 3.31Å; T312-A333 WeakPolarHBondContact OG1-CB 3.37Å; T312-R336 HydrophobicContact CG2-CB 4.3Å; T312-T337 HydrophobicContact CG2-CG2 4.03Å |
| 313 | E | 96.8 | Very high | 94.4 | Very high | 99 Ų | 99 | 56.1 Ų | 56.1 | 46% | 0.463 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 178.4 | -72.6 | 173.2 | -170.1 | 0 | 0 | 111.4 | R309 N310 L316 A317 | R309-E313 IonicContact CZ-OE1 2.69Å; R309-E313 IonicContact NE-OE1 3.58Å; R309-E313 PolarHBondContact NE-OE1 3.34Å; R309-E313 IonicContact NH2-OE1 2.69Å; R309-E313 PolarHBondContact NH2-OE1 2.94Å; R309-E313 WeakPolarHBondContact O-CG 3.35Å; R309-E313 PolarHBondContact O-N 3.14Å; N310-E313 PolarHBondContact O-N 2.76Å; E313-L316 PolarHBondContact O-N 3.19Å; E313-A317 WeakPolarHBondContact O-CB 3.34Å; E313-A317 PolarHBondContact O-N 2.85Å |
| 314 | L | 97.1 | Very high | 94.9 | Very high | 28 Ų | 28 | 57.4 Ų | 57.4 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.4 | -69.4 | 170.9 | 0 | 0 | 0 | 112.9 | V277 L280 E281 N310 L311 T312 A317 N318 | V277-L314 HydrophobicContact CG1-CD1 3.87Å; L280-L314 HydrophobicContact CB-CB 4.21Å; L280-L314 HydrophobicContact CB-CD1 3.99Å; L280-L314 HydrophobicContact CD1-CB 4.39Å; E281-L314 HydrophobicContact CG-CD1 3.78Å; E281-L314 HydrophobicContact CG-CD2 4.05Å; N310-L314 WeakPolarHBondContact O-CG 3.22Å; N310-L314 PolarHBondContact O-N 3.12Å; L311-L314 PolarHBondContact O-N 3.35Å; T312-L314 VanDerWaalsContact C-N 3.34Å; T312-L314 PolarHBondContact O-N 2.91Å; L314-A317 PolarHBondContact O-N 2.84Å; L314-N318 PolarHBondContact O-N 2.98Å |
| 315 | I | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 177.6 | -69.4 | 157.7 | 0 | 0 | 0 | 110.3 | L280 L311 T312 A317 N318 L324 L326 T337 H340 V341 | L280-I315 HydrophobicContact CD1-CD1 4.13Å; L280-I315 HydrophobicContact CD1-CG1 3.82Å; L280-I315 HydrophobicContact CD2-CG1 4.33Å; L311-I315 WeakPolarHBondContact O-CB 3.24Å; L311-I315 VanDerWaalsContact O-CD1 3.26Å; L311-I315 WeakPolarHBondContact O-CD1 3.1Å; L311-I315 WeakPolarHBondContact O-CG1 3.23Å; L311-I315 PolarHBondContact O-N 3.1Å; T312-I315 PolarHBondContact O-N 3.24Å; I315-A317 VanDerWaalsContact C-N 3.29Å; I315-A317 PolarHBondContact O-N 3.32Å; I315-N318 PolarHBondContact O-N 3.1Å; I315-L324 HydrophobicContact CD1-CD2 3.48Å; I315-L324 VanDerWaalsContact CD1-CD2 3.48Å; I315-L324 HydrophobicContact CG1-CD2 3.98Å; I315-L324 HydrophobicContact CG2-CD2 4.15Å; I315-L326 HydrophobicContact CD1-CD2 3.88Å; I315-T337 HydrophobicContact CB-CG2 4.17Å; I315-T337 HydrophobicContact CD1-CG2 3.63Å; I315-T337 HydrophobicContact CG2-CG2 4.03Å; I315-H340 PolarHBondContact O-CD2 2.98Å; I315-H340 PolarHBondContact O-NE2 3.02Å; I315-V341 HydrophobicContact CG2-CG2 4.44Å |
| 316 | L | 95.7 | Very high | 95.2 | Very high | 64 Ų | 64 | 52.9 Ų | 52.9 | 34% | 0.335 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.1 | -34.5 | 179.2 | -68.6 | 178.6 | 0 | 0 | 0 | 112.1 | T312 E313 N318 R336 H340 | T312-L316 HydrophobicContact CG2-CD1 3.87Å; T312-L316 HydrophobicContact CG2-CG 4.22Å; T312-L316 WeakPolarHBondContact O-CB 3.19Å; T312-L316 VanDerWaalsContact O-CG 3.22Å; T312-L316 WeakPolarHBondContact O-CG 3.11Å; T312-L316 PolarHBondContact O-N 2.76Å; E313-L316 PolarHBondContact O-N 3.19Å; L316-N318 PolarHBondContact O-N 3.39Å; L316-R336 HydrophobicContact CD2-CB 4.49Å; L316-H340 HydrophobicContact CD2-CB 3.5Å; L316-H340 PolarHBondContact O-CE1 3.44Å; L316-H340 PolarHBondContact O-NE2 3.1Å |
| 317 | A | 95.2 | Very high | 95.2 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 65% | 0.653 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -69.6 | -19.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | E313 L314 I315 P319 | E313-A317 WeakPolarHBondContact O-CB 3.34Å; E313-A317 PolarHBondContact O-N 2.85Å; L314-A317 PolarHBondContact O-N 2.84Å; I315-A317 VanDerWaalsContact C-N 3.29Å; I315-A317 PolarHBondContact O-N 3.32Å; A317-P319 VanDerWaalsContact O-CD 3.23Å; A317-P319 WeakPolarHBondContact O-CD 3.18Å |
| 318 | N | 94.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | trans | -97.9 | 105.3 | -178.6 | -170 | -22.4 | 0 | 0 | 0 | 111.9 | I283 L314 I315 L316 R320 L321 H340 | I283-N318 PolarHBondContact O-ND2 2.85Å; L314-N318 PolarHBondContact O-N 2.98Å; I315-N318 PolarHBondContact O-N 3.1Å; L316-N318 PolarHBondContact O-N 3.39Å; N318-R320 VanDerWaalsContact C-N 3.3Å; N318-R320 PolarHBondContact O-N 3.25Å; N318-R320 WeakPolarHBondContact OD1-CB 3.48Å; N318-R320 PolarHBondContact OD1-N 3.45Å; N318-L321 HydrophobicContact CB-CD1 4.28Å; N318-H340 PolarHBondContact O-NE2 3.07Å | ||
| 319 | P | 92.9 | Very high | 94.8 | Very high | 59 Ų | 59 | 51.8 Ų | 51.8 | 38% | 0.383 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -78.8 | -8.8 | 179.4 | 32.7 | -36.5 | 0 | 0 | 0 | 113.5 | A317 N344 R347 | A317-P319 VanDerWaalsContact O-CD 3.23Å; A317-P319 WeakPolarHBondContact O-CD 3.18Å; P319-N344 PolarHBondContact O-ND2 2.98Å; P319-N344 PolarHBondContact O-OD1 2.88Å; P319-R347 PolarHBondContact O-NH2 2.9Å |
| 320 | R | 92.7 | Very high | 94.7 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | trans | -88.3 | -22.5 | -171.5 | -63.6 | 178.8 | -64.4 | -74.5 | -7.6 | 113.6 | I283 S284 H285 S288 N318 V322 | I283-R320 PolarHBondContact O-NH2 3.5Å; S284-R320 PolarHBondContact O-NH2 3.14Å; H285-R320 PolarHBondContact O-NH2 3.45Å; S288-R320 PolarHBondContact O-NE 3.07Å; N318-R320 VanDerWaalsContact C-N 3.3Å; N318-R320 PolarHBondContact O-N 3.25Å; N318-R320 WeakPolarHBondContact OD1-CB 3.48Å; N318-R320 PolarHBondContact OD1-N 3.45Å; R320-V322 PolarHBondContact O-N 2.83Å | ||
| 321 | L | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -67.6 | 118.4 | -179.2 | -71 | 173.7 | 0 | 0 | 0 | 111 | L280 I283 I290 L293 N318 N344 | L280-L321 HydrophobicContact CD2-CD1 4.3Å; I283-L321 HydrophobicContact CD1-CD1 4.37Å; I283-L321 HydrophobicContact CD1-CD2 4.03Å; I290-L321 HydrophobicContact CG2-CD2 4.21Å; L293-L321 HydrophobicContact CB-CD2 4.1Å; N318-L321 HydrophobicContact CB-CD1 4.28Å; L321-N344 VanDerWaalsContact O-CB 3.25Å; L321-N344 WeakPolarHBondContact O-CB 3.43Å; L321-N344 PolarHBondContact O-ND2 3.27Å | ||
| 322 | V | 95.7 | Very high | 94.4 | Very high | 20 Ų | 20 | 50.1 Ų | 50.1 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | trans | -108.3 | -30.3 | -179.3 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | T291 R320 V341 L345 V348 | T291-V322 PolarHBondContact O-N 3.23Å; R320-V322 PolarHBondContact O-N 2.83Å; V322-V341 WeakPolarHBondContact O-CG1 3.5Å; V322-L345 HydrophobicContact CG1-CB 3.89Å; V322-L345 HydrophobicContact CG1-CD1 3.4Å; V322-L345 HydrophobicContact CG1-CG 4.18Å; V322-V348 HydrophobicContact CG2-CG2 3.99Å | ||
| 323 | R | 96.3 | Very high | 94.3 | Very high | 148 Ų | 148 | 50 Ų | 50 | 56% | 0.558 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132.1 | 171.6 | -57.6 | -159.9 | -174.7 | 129 | -13.2 | 110.1 | T291 D292 L293 | T291-R323 PolarHBondContact O-N 3.22Å; T291-R323 VanDerWaalsContact O-N 3.09Å; D292-R323 WeakPolarHBondContact CA-O 3.44Å; D292-R323 HydrophobicContact CB-CB 4.08Å; D292-R323 WeakPolarHBondContact OD1-CD 3.37Å; D292-R323 WeakPolarHBondContact OD1-CG 3.42Å; D292-R323 IonicContact OD1-CZ 3.95Å; D292-R323 IonicContact OD1-NE 2.73Å; D292-R323 IonicContact OD1-NH1 3.01Å; D292-R323 PolarHBondContact OD1-NH1 2.97Å; L293-R323 PolarHBondContact N-O 3.08Å |
| 324 | L | 96.4 | Very high | 94.2 | Very high | 41 Ų | 41 | 50.4 Ų | 50.4 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 118.1 | 178.3 | -179.1 | 68.1 | 0 | 0 | 0 | 108.8 | L293 I315 L326 V341 | L293-L324 HydrophobicContact CB-CD1 4.29Å; L293-L324 HydrophobicContact CD2-CD1 4.28Å; L293-L324 HydrophobicContact CG-CD1 4.48Å; L293-L324 CarbonylContact O-C 3.54Å; L293-L324 VanDerWaalsContact O-CA 3.29Å; L293-L324 WeakPolarHBondContact O-CA 3.43Å; I315-L324 HydrophobicContact CD1-CD2 3.48Å; I315-L324 VanDerWaalsContact CD1-CD2 3.48Å; I315-L324 HydrophobicContact CG1-CD2 3.98Å; I315-L324 HydrophobicContact CG2-CD2 4.15Å; L324-L326 HydrophobicContact CD1-CB 4.28Å; L324-L326 HydrophobicContact CD2-CB 4.28Å; L324-L326 HydrophobicContact CD2-CD2 4.44Å; L324-L326 HydrophobicContact CG-CB 4.03Å; L324-V341 HydrophobicContact CB-CG2 3.98Å; L324-V341 HydrophobicContact CD2-CG2 4.37Å |
| 325 | G | 94.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 13% | 0.134 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 107.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | L293 L295 A296 | L293-G325 PolarHBondContact O-N 3.41Å; L295-G325 CarbonylContact C-O 3.05Å; L295-G325 WeakPolarHBondContact CA-O 3.35Å; L295-G325 PolarHBondContact N-O 2.8Å; A296-G325 PolarHBondContact N-O 3.13Å; A296-G325 VanDerWaalsContact N-O 3.17Å |
| 326 | L | 93.4 | Very high | 94.1 | Very high | 27 Ų | 27 | 58.5 Ų | 58.5 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | trans | -154.2 | 130.6 | 177.7 | -175.8 | 67.3 | 0 | 0 | 0 | 109 | L276 L295 L311 I315 L324 L328 | L276-L326 HydrophobicContact CD1-CD1 3.8Å; L295-L326 HydrophobicContact CB-CD1 4.19Å; L311-L326 HydrophobicContact CB-CD2 4.47Å; L311-L326 HydrophobicContact CD1-CD2 4.26Å; I315-L326 HydrophobicContact CD1-CD2 3.88Å; L324-L326 HydrophobicContact CD1-CB 4.28Å; L324-L326 HydrophobicContact CD2-CB 4.28Å; L324-L326 HydrophobicContact CD2-CD2 4.44Å; L324-L326 HydrophobicContact CG-CB 4.03Å; L326-L328 HydrophobicContact CD2-CD1 4.29Å; L326-L328 HydrophobicContact CD2-CD2 3.81Å; L326-L328 HydrophobicContact CD2-CG 4.11Å; L326-L328 HydrophobicContact CG-CD2 4.06Å; L326-L328 HydrophobicContact CG-CG 4.16Å | ||
| 327 | D | 91.1 | Very high | 94.1 | Very high | 91 Ų | 91 | 56 Ų | 56 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | trans | -91.8 | 116.2 | 178 | -60.7 | -41.9 | 0 | 0 | 0 | 109.5 | N297 | N297-D327 PolarHBondContact N-OD2 2.69Š| ||
| 328 | L | 92.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | trans | -121 | 131.1 | 178.7 | -59.6 | 170.7 | 0 | 0 | 0 | 108.7 | L303 E308 L311 L326 A333 R334 T337 | L303-L328 HydrophobicContact CD1-CD2 4.29Å; E308-L328 HydrophobicContact CB-CD2 4.18Å; E308-L328 HydrophobicContact CG-CD2 3.82Å; L311-L328 HydrophobicContact CD1-CD2 4.15Å; L326-L328 HydrophobicContact CD2-CD1 4.29Å; L326-L328 HydrophobicContact CD2-CD2 3.81Å; L326-L328 HydrophobicContact CD2-CG 4.11Å; L326-L328 HydrophobicContact CG-CD2 4.06Å; L326-L328 HydrophobicContact CG-CG 4.16Å; L328-A333 HydrophobicContact CD1-CB 4.13Å; L328-R334 HydrophobicContact CB-CG 3.73Å; L328-R334 WeakPolarHBondContact O-CD 3.27Å; L328-R334 WeakPolarHBondContact O-CG 3.38Å; L328-R334 PolarHBondContact O-NH1 3.1Å; L328-T337 HydrophobicContact CD1-CG2 3.96Å | ||
| 329 | E | 90.3 | Very high | 94.2 | Very high | 111 Ų | 111 | 67.5 Ų | 67.5 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | trans | -86.1 | -29.6 | -179.2 | -72.3 | -62.6 | 156.7 | 0 | 0 | 112.5 | E308 S331 R334 | E308-E329 WeakPolarHBondContact OE1-CB 3.46Å; E308-E329 PolarHBondContact OE1-N 2.98Å; E308-E329 PolarHBondContact OE2-N 2.95Å; E329-S331 PolarHBondContact O-N 3.03Å; E329-R334 PolarHBondContact O-NH1 3.4Å | ||
| 330 | T | 92.4 | Very high | 94.4 | Very high | 43 Ų | 43 | 66.3 Ų | 66.3 | 26% | 0.264 | 31% | 0.313 | S | S | . | . | trans | -72.7 | 123.4 | 176.7 | -53 | 0 | 0 | 0 | 0 | 110.5 | E308 D332 A333 R334 | E308-T330 WeakPolarHBondContact OE2-CA 3.26Å; E308-T330 WeakPolarHBondContact OE2-CB 3.38Å; E308-T330 PolarHBondContact OE2-N 3.27Å; E308-T330 PolarHBondContact OE2-OG1 3.24Å; T330-D332 HydrophobicContact CG2-CB 4.36Å; T330-D332 PolarHBondContact O-N 3.09Å; T330-A333 HydrophobicContact CG2-CB 4.38Å; T330-A333 PolarHBondContact O-N 2.88Å; T330-R334 PolarHBondContact O-N 2.71Å | ||
| 331 | S | 92.1 | Very high | 94.6 | Very high | 76 Ų | 76 | 64.5 Ų | 64.5 | 53% | 0.531 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | -179.2 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | E329 R334 V335 | E329-S331 PolarHBondContact O-N 3.03Å; S331-R334 PolarHBondContact O-N 3.03Å; S331-V335 WeakPolarHBondContact O-CG2 3.5Å; S331-V335 PolarHBondContact O-N 2.96Å |
| 332 | D | 93.5 | Very high | 94.6 | Very high | 77 Ų | 77 | 70.8 Ų | 70.8 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 177.5 | 178.3 | 71 | 0 | 0 | 0 | 111.7 | T330 R334 V335 R336 | T330-D332 HydrophobicContact CG2-CB 4.36Å; T330-D332 PolarHBondContact O-N 3.09Å; D332-R334 PolarHBondContact O-N 3.17Å; D332-V335 PolarHBondContact O-N 3.46Å; D332-R336 WeakPolarHBondContact O-CG 3.47Å; D332-R336 PolarHBondContact O-N 3.27Å; D332-R336 IonicContact OD1-CZ 3.92Å; D332-R336 VanDerWaalsContact OD1-CZ 3.29Å; D332-R336 IonicContact OD1-NE 3.6Å; D332-R336 PolarHBondContact OD1-NE 3.27Å; D332-R336 IonicContact OD1-NH2 2.85Å; D332-R336 PolarHBondContact OD1-NH2 3Å; D332-R336 IonicContact OD2-CZ 3.61Å; D332-R336 IonicContact OD2-NE 3.41Å; D332-R336 PolarHBondContact OD2-NE 3.48Å; D332-R336 IonicContact OD2-NH1 3.99Å; D332-R336 IonicContact OD2-NH2 3.66Å; D332-R336 PolarHBondContact OD2-NH2 3.34Å; D332-R336 VanDerWaalsContact OD2-NH2 3.13Å |
| 333 | A | 94.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 73 Ų | 73 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E308 T312 L328 T330 V335 T337 | E308-A333 HydrophobicContact CB-CB 4.48Å; T312-A333 VanDerWaalsContact OG1-CB 3.31Å; T312-A333 WeakPolarHBondContact OG1-CB 3.37Å; L328-A333 HydrophobicContact CD1-CB 4.13Å; T330-A333 HydrophobicContact CG2-CB 4.38Å; T330-A333 PolarHBondContact O-N 2.88Å; A333-V335 PolarHBondContact O-N 3.19Å; A333-T337 WeakPolarHBondContact O-CB 3.46Å; A333-T337 VanDerWaalsContact O-CG2 3.27Å; A333-T337 WeakPolarHBondContact O-CG2 3.32Å; A333-T337 PolarHBondContact O-N 2.93Å; A333-T337 PolarHBondContact O-OG1 3.12Å |
| 334 | R | 94.6 | Very high | 94.6 | Very high | 108 Ų | 108 | 66 Ų | 66 | 41% | 0.408 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 175.5 | -77.4 | -164.4 | -59.7 | -88.8 | -0 | 112.9 | L328 E329 T330 S331 D332 T337 R338 | L328-R334 HydrophobicContact CB-CG 3.73Å; L328-R334 WeakPolarHBondContact O-CD 3.27Å; L328-R334 WeakPolarHBondContact O-CG 3.38Å; L328-R334 PolarHBondContact O-NH1 3.1Å; E329-R334 PolarHBondContact O-NH1 3.4Å; T330-R334 PolarHBondContact O-N 2.71Å; S331-R334 PolarHBondContact O-N 3.03Å; D332-R334 PolarHBondContact O-N 3.17Å; R334-T337 PolarHBondContact O-OG1 3.44Å; R334-T337 VanDerWaalsContact O-OG1 3.12Å; R334-R338 WeakPolarHBondContact O-CB 3.48Å; R334-R338 PolarHBondContact O-N 3.14Å |
| 335 | V | 96.6 | Very high | 94.5 | Very high | 75 Ų | 75 | 67.6 Ų | 67.6 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.2 | -50.5 | -176.4 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | S331 D332 A333 T337 R338 E339 | S331-V335 WeakPolarHBondContact O-CG2 3.5Å; S331-V335 PolarHBondContact O-N 2.96Å; D332-V335 PolarHBondContact O-N 3.46Å; A333-V335 PolarHBondContact O-N 3.19Å; V335-T337 PolarHBondContact O-N 3.36Å; V335-R338 PolarHBondContact O-N 3.37Å; V335-E339 HydrophobicContact CG1-CG 4.36Å; V335-E339 WeakPolarHBondContact O-CB 3.38Å; V335-E339 WeakPolarHBondContact O-CG 3.26Å; V335-E339 PolarHBondContact O-N 2.86Å |
| 336 | R | 96.6 | Very high | 94.5 | Very high | 123 Ų | 123 | 70.2 Ų | 70.2 | 46% | 0.464 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | -178.1 | -68.1 | -174.1 | -164.2 | -172.2 | 6.8 | 112.9 | T312 L316 D332 E339 H340 | T312-R336 HydrophobicContact CG2-CB 4.3Å; L316-R336 HydrophobicContact CD2-CB 4.49Å; D332-R336 WeakPolarHBondContact O-CG 3.47Å; D332-R336 PolarHBondContact O-N 3.27Å; D332-R336 IonicContact OD1-CZ 3.92Å; D332-R336 VanDerWaalsContact OD1-CZ 3.29Å; D332-R336 IonicContact OD1-NE 3.6Å; D332-R336 PolarHBondContact OD1-NE 3.27Å; D332-R336 IonicContact OD1-NH2 2.85Å; D332-R336 PolarHBondContact OD1-NH2 3Å; D332-R336 IonicContact OD2-CZ 3.61Å; D332-R336 IonicContact OD2-NE 3.41Å; D332-R336 PolarHBondContact OD2-NE 3.48Å; D332-R336 IonicContact OD2-NH1 3.99Å; D332-R336 IonicContact OD2-NH2 3.66Å; D332-R336 PolarHBondContact OD2-NH2 3.34Å; D332-R336 VanDerWaalsContact OD2-NH2 3.13Å; R336-E339 PolarHBondContact O-N 2.98Å; R336-H340 WeakPolarHBondContact O-CB 3.27Å; R336-H340 PolarHBondContact O-N 2.81Å |
| 337 | T | 96.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 73.3 Ų | 73.3 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 178.1 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | T312 I315 L328 A333 R334 V335 H340 V341 | T312-T337 HydrophobicContact CG2-CG2 4.03Å; I315-T337 HydrophobicContact CB-CG2 4.17Å; I315-T337 HydrophobicContact CD1-CG2 3.63Å; I315-T337 HydrophobicContact CG2-CG2 4.03Å; L328-T337 HydrophobicContact CD1-CG2 3.96Å; A333-T337 WeakPolarHBondContact O-CB 3.46Å; A333-T337 VanDerWaalsContact O-CG2 3.27Å; A333-T337 WeakPolarHBondContact O-CG2 3.32Å; A333-T337 PolarHBondContact O-N 2.93Å; A333-T337 PolarHBondContact O-OG1 3.12Å; R334-T337 PolarHBondContact O-OG1 3.44Å; R334-T337 VanDerWaalsContact O-OG1 3.12Å; V335-T337 PolarHBondContact O-N 3.36Å; T337-H340 PolarHBondContact O-N 3.23Å; T337-V341 WeakPolarHBondContact O-CB 3.17Å; T337-V341 VanDerWaalsContact O-CG2 3.26Å; T337-V341 WeakPolarHBondContact O-CG2 3.3Å; T337-V341 PolarHBondContact O-N 3.19Å |
| 338 | R | 95.5 | Very high | 94.6 | Very high | 200 Ų | 200 | 71.3 Ų | 71.3 | 76% | 0.755 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.6 | -44.5 | 177 | -174.9 | -179.1 | 179.4 | 95 | -1.3 | 112.5 | R334 V335 H340 K342 | R334-R338 WeakPolarHBondContact O-CB 3.48Å; R334-R338 PolarHBondContact O-N 3.14Å; V335-R338 PolarHBondContact O-N 3.37Å; R338-H340 VanDerWaalsContact C-N 3.35Å; R338-K342 WeakPolarHBondContact O-CB 3.23Å; R338-K342 PolarHBondContact O-N 3.03Å |
| 339 | E | 96.4 | Very high | 94.5 | Very high | 125 Ų | 125 | 72.8 Ų | 72.8 | 58% | 0.584 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 177.8 | -76.5 | -179 | 171.1 | 0 | 0 | 111.8 | V335 R336 K342 S343 | V335-E339 HydrophobicContact CG1-CG 4.36Å; V335-E339 WeakPolarHBondContact O-CB 3.38Å; V335-E339 WeakPolarHBondContact O-CG 3.26Å; V335-E339 PolarHBondContact O-N 2.86Å; R336-E339 PolarHBondContact O-N 2.98Å; E339-K342 PolarHBondContact O-N 2.97Å; E339-S343 WeakPolarHBondContact O-CB 3.49Å; E339-S343 PolarHBondContact O-N 3.2Å |
| 340 | H | 96.6 | Very high | 94.5 | Very high | 34 Ų | 34 | 76.1 Ų | 76.1 | 16% | 0.157 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.5 | -49.5 | 177.4 | -178.4 | 72.8 | 0 | 0 | 0 | 112.5 | I315 L316 N318 R336 T337 R338 K342 S343 N344 | I315-H340 PolarHBondContact O-CD2 2.98Å; I315-H340 PolarHBondContact O-NE2 3.02Å; L316-H340 HydrophobicContact CD2-CB 3.5Å; L316-H340 PolarHBondContact O-CE1 3.44Å; L316-H340 PolarHBondContact O-NE2 3.1Å; N318-H340 PolarHBondContact O-NE2 3.07Å; R336-H340 WeakPolarHBondContact O-CB 3.27Å; R336-H340 PolarHBondContact O-N 2.81Å; T337-H340 PolarHBondContact O-N 3.23Å; R338-H340 VanDerWaalsContact C-N 3.35Å; H340-K342 VanDerWaalsContact C-N 3.29Å; H340-K342 PolarHBondContact O-N 3.34Å; H340-S343 WeakPolarHBondContact O-CB 3.34Å; H340-S343 PolarHBondContact O-N 2.78Å; H340-S343 VanDerWaalsContact O-N 3.15Å; H340-N344 PolarHBondContact CD2-ND2 3.19Å; H340-N344 PolarHBondContact NE2-ND2 3.41Å; H340-N344 VanDerWaalsContact O-CG 3.31Å; H340-N344 PolarHBondContact O-N 3.3Å; H340-N344 PolarHBondContact O-ND2 3.24Å |
| 341 | V | 96.6 | Very high | 94.3 | Very high | 19 Ų | 19 | 79.3 Ų | 79.3 | 12% | 0.115 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | I315 V322 L324 T337 N344 L345 | I315-V341 HydrophobicContact CG2-CG2 4.44Å; V322-V341 WeakPolarHBondContact O-CG1 3.5Å; L324-V341 HydrophobicContact CB-CG2 3.98Å; L324-V341 HydrophobicContact CD2-CG2 4.37Å; T337-V341 WeakPolarHBondContact O-CB 3.17Å; T337-V341 VanDerWaalsContact O-CG2 3.26Å; T337-V341 WeakPolarHBondContact O-CG2 3.3Å; T337-V341 PolarHBondContact O-N 3.19Å; V341-N344 PolarHBondContact O-N 2.82Å; V341-L345 PolarHBondContact O-N 2.86Å |
| 342 | K | 95.8 | Very high | 94.2 | Very high | 131 Ų | 131 | 80.6 Ų | 80.6 | 57% | 0.57 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62 | -45.3 | 173.5 | -179.5 | 179.4 | 175.9 | 179.2 | 0 | 112.2 | R338 E339 H340 N344 L345 D346 | R338-K342 WeakPolarHBondContact O-CB 3.23Å; R338-K342 PolarHBondContact O-N 3.03Å; E339-K342 PolarHBondContact O-N 2.97Å; H340-K342 VanDerWaalsContact C-N 3.29Å; H340-K342 PolarHBondContact O-N 3.34Å; K342-N344 VanDerWaalsContact C-N 3.32Å; K342-N344 PolarHBondContact O-N 3.04Å; K342-L345 WeakPolarHBondContact O-CB 3.26Å; K342-L345 PolarHBondContact O-N 3.03Å; K342-D346 PolarHBondContact O-N 3.14Å |
| 343 | S | 96.3 | Very high | 93.9 | Very high | 67 Ų | 67 | 85.8 Ų | 85.8 | 47% | 0.469 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 177.3 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | E339 H340 D346 R347 | E339-S343 WeakPolarHBondContact O-CB 3.49Å; E339-S343 PolarHBondContact O-N 3.2Å; H340-S343 WeakPolarHBondContact O-CB 3.34Å; H340-S343 PolarHBondContact O-N 2.78Å; H340-S343 VanDerWaalsContact O-N 3.15Å; S343-D346 PolarHBondContact O-N 3.39Å; S343-R347 WeakPolarHBondContact O-CB 3.38Å; S343-R347 PolarHBondContact O-N 3.06Å |
| 344 | N | 95.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 95.2 Ų | 95.2 | 1% | 0.011 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 174.5 | -67.8 | -23.8 | 0 | 0 | 0 | 111.7 | P319 L321 H340 V341 K342 D346 R347 V348 | P319-N344 PolarHBondContact O-ND2 2.98Å; P319-N344 PolarHBondContact O-OD1 2.88Å; L321-N344 VanDerWaalsContact O-CB 3.25Å; L321-N344 WeakPolarHBondContact O-CB 3.43Å; L321-N344 PolarHBondContact O-ND2 3.27Å; H340-N344 PolarHBondContact CD2-ND2 3.19Å; H340-N344 PolarHBondContact NE2-ND2 3.41Å; H340-N344 VanDerWaalsContact O-CG 3.31Å; H340-N344 PolarHBondContact O-N 3.3Å; H340-N344 PolarHBondContact O-ND2 3.24Å; V341-N344 PolarHBondContact O-N 2.82Å; K342-N344 VanDerWaalsContact C-N 3.32Å; K342-N344 PolarHBondContact O-N 3.04Å; N344-D346 VanDerWaalsContact C-N 3.35Å; N344-D346 PolarHBondContact O-N 3.08Å; N344-R347 PolarHBondContact O-N 2.88Å; N344-R347 PolarHBondContact OD1-NH1 3.35Å; N344-R347 PolarHBondContact OD1-NH2 2.96Å; N344-V348 WeakPolarHBondContact O-CG2 3.25Å; N344-V348 PolarHBondContact O-N 3.32Å |
| 345 | L | 95.2 | Very high | 92.9 | Very high | 73 Ų | 73 | 96.2 Ų | 96.2 | 38% | 0.382 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.4 | -45 | 175.5 | 176.1 | 61.4 | 0 | 0 | 0 | 112.1 | V322 V341 K342 R347 V348 S349 | V322-L345 HydrophobicContact CG1-CB 3.89Å; V322-L345 HydrophobicContact CG1-CD1 3.4Å; V322-L345 HydrophobicContact CG1-CG 4.18Å; V341-L345 PolarHBondContact O-N 2.86Å; K342-L345 WeakPolarHBondContact O-CB 3.26Å; K342-L345 PolarHBondContact O-N 3.03Å; L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 2.82Å; L345-V348 PolarHBondContact O-N 3.48Å; L345-S349 VanDerWaalsContact O-CB 3.29Å; L345-S349 WeakPolarHBondContact O-CB 3.26Å; L345-S349 PolarHBondContact O-N 2.9Å; L345-S349 PolarHBondContact O-OG 3.22Å |
| 346 | D | 94.7 | Very high | 91.9 | Very high | 69 Ų | 69 | 101.2 Ų | 101.2 | 37% | 0.369 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 178 | -77.1 | -19.9 | 0 | 0 | 0 | 111.3 | K342 S343 N344 S349 R350 | K342-D346 PolarHBondContact O-N 3.14Å; S343-D346 PolarHBondContact O-N 3.39Å; N344-D346 VanDerWaalsContact C-N 3.35Å; N344-D346 PolarHBondContact O-N 3.08Å; D346-S349 PolarHBondContact O-N 2.95Å; D346-R350 WeakPolarHBondContact O-CB 3.46Å; D346-R350 VanDerWaalsContact O-CG 3.26Å; D346-R350 WeakPolarHBondContact O-CG 3.39Å; D346-R350 PolarHBondContact O-N 2.99Å |
| 347 | R | 93.4 | Very high | 90.2 | Very high | 92 Ų | 92 | 104.8 Ų | 104.8 | 35% | 0.347 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -48.5 | 176.8 | -174.8 | 175.8 | 65.1 | -108.1 | -5 | 111.5 | P319 S343 N344 L345 S349 R350 Q351 | P319-R347 PolarHBondContact O-NH2 2.9Å; S343-R347 WeakPolarHBondContact O-CB 3.38Å; S343-R347 PolarHBondContact O-N 3.06Å; N344-R347 PolarHBondContact O-N 2.88Å; N344-R347 PolarHBondContact OD1-NH1 3.35Å; N344-R347 PolarHBondContact OD1-NH2 2.96Å; L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 2.82Å; R347-S349 VanDerWaalsContact C-N 3.34Å; R347-S349 PolarHBondContact O-N 3.33Å; R347-R350 PolarHBondContact O-N 3.32Å; R347-Q351 WeakPolarHBondContact O-CG 3.47Å; R347-Q351 PolarHBondContact O-N 2.97Å |
| 348 | V | 91.3 | Very high | 89.9 | Confident | 49 Ų | 49 | 109.6 Ų | 109.6 | 30% | 0.297 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | V322 N344 L345 R350 Q351 L352 | V322-V348 HydrophobicContact CG2-CG2 3.99Å; N344-V348 WeakPolarHBondContact O-CG2 3.25Å; N344-V348 PolarHBondContact O-N 3.32Å; L345-V348 PolarHBondContact O-N 3.48Å; V348-R350 VanDerWaalsContact C-N 3.34Å; V348-R350 PolarHBondContact O-N 3.4Å; V348-Q351 PolarHBondContact O-N 3.48Å; V348-L352 HydrophobicContact CG1-CD1 4.07Å; V348-L352 HydrophobicContact CG1-CG 4.43Å; V348-L352 WeakPolarHBondContact O-CG 3.23Å; V348-L352 PolarHBondContact O-N 3.46Å |
| 349 | S | 90.9 | Very high | 89.6 | Confident | 40 Ų | 40 | 104.8 Ų | 104.8 | 28% | 0.28 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 177.7 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | L345 D346 R347 R353 | L345-S349 VanDerWaalsContact O-CB 3.29Å; L345-S349 WeakPolarHBondContact O-CB 3.26Å; L345-S349 PolarHBondContact O-N 2.9Å; L345-S349 PolarHBondContact O-OG 3.22Å; D346-S349 PolarHBondContact O-N 2.95Å; R347-S349 VanDerWaalsContact C-N 3.34Å; R347-S349 PolarHBondContact O-N 3.33Å; S349-R353 WeakPolarHBondContact O-CG 3.39Å; S349-R353 PolarHBondContact O-N 3.35Å; S349-R353 VanDerWaalsContact O-N 3.1Å |
| 350 | R | 91.2 | Very high | 89.3 | Confident | 181 Ų | 181 | 103.7 Ų | 103.7 | 68% | 0.683 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.9 | -42 | 174.9 | -73.2 | 172.7 | -171.8 | -175.8 | 4.2 | 111.9 | D346 R347 V348 R353 R354 | D346-R350 WeakPolarHBondContact O-CB 3.46Å; D346-R350 VanDerWaalsContact O-CG 3.26Å; D346-R350 WeakPolarHBondContact O-CG 3.39Å; D346-R350 PolarHBondContact O-N 2.99Å; R347-R350 PolarHBondContact O-N 3.32Å; V348-R350 VanDerWaalsContact C-N 3.34Å; V348-R350 PolarHBondContact O-N 3.4Å; R350-R353 PolarHBondContact O-N 2.97Å; R350-R354 PolarHBondContact O-N 3.24Å |
| 351 | Q | 88.4 | Confident | 88.8 | Confident | 109 Ų | 109 | 107.8 Ų | 107.8 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.6 | -72.5 | 174.6 | -12.4 | 0 | 0 | 111.7 | R347 V348 R353 R354 N355 | R347-Q351 WeakPolarHBondContact O-CG 3.47Å; R347-Q351 PolarHBondContact O-N 2.97Å; V348-Q351 PolarHBondContact O-N 3.48Å; Q351-R353 VanDerWaalsContact C-N 3.33Å; Q351-R353 PolarHBondContact O-N 3.42Å; Q351-R354 PolarHBondContact O-N 2.86Å; Q351-N355 PolarHBondContact O-N 3.33Å |
| 352 | L | 88.6 | Confident | 88.3 | Confident | 103 Ų | 103 | 113.3 Ų | 113.3 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 176.3 | -71.9 | 171.9 | 0 | 0 | 0 | 112.7 | V348 K356 | V348-L352 HydrophobicContact CG1-CD1 4.07Å; V348-L352 HydrophobicContact CG1-CG 4.43Å; V348-L352 WeakPolarHBondContact O-CG 3.23Å; V348-L352 PolarHBondContact O-N 3.46Å; L352-K356 WeakPolarHBondContact O-CG 3.47Å; L352-K356 PolarHBondContact O-N 3.1Å |
| 353 | R | 88.4 | Confident | 87.8 | Confident | 187 Ų | 187 | 112.1 Ų | 112.1 | 71% | 0.706 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.9 | -39.2 | 174.5 | -71.5 | 175 | -172.4 | -173.9 | 2.9 | 111.9 | S349 R350 Q351 K356 | S349-R353 WeakPolarHBondContact O-CG 3.39Å; S349-R353 PolarHBondContact O-N 3.35Å; S349-R353 VanDerWaalsContact O-N 3.1Å; R350-R353 PolarHBondContact O-N 2.97Å; Q351-R353 VanDerWaalsContact C-N 3.33Å; Q351-R353 PolarHBondContact O-N 3.42Å; R353-K356 PolarHBondContact O-N 2.98Å |
| 354 | R | 85.6 | Confident | 87.2 | Confident | 202 Ų | 202 | 115.4 Ų | 115.4 | 76% | 0.762 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.1 | -35.2 | 178.5 | -174.6 | 176.5 | 169.5 | 178.4 | -3.4 | 112.6 | R350 Q351 K356 N357 | R350-R354 PolarHBondContact O-N 3.24Å; Q351-R354 PolarHBondContact O-N 2.86Å; R354-K356 VanDerWaalsContact C-N 3.32Å; R354-N357 VanDerWaalsContact O-OXT 3.06Å |
| 355 | N | 82 | Confident | 86.6 | Confident | 130 Ų | 130 | 124.1 Ų | 124.1 | 70% | 0.695 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -80.2 | -11.3 | 179.6 | -67.9 | -3.5 | 0 | 0 | 0 | 113.9 | Q351 | Q351-N355 PolarHBondContact O-N 3.33Å |
| 356 | K | 76.1 | Confident | 85.9 | Confident | 180 Ų | 180 | 128.3 Ų | 128.3 | 78% | 0.783 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -84.3 | -19.4 | 174.8 | -80.9 | -175.6 | 179.2 | -170.6 | 0 | 113.2 | L352 R353 R354 | L352-K356 WeakPolarHBondContact O-CG 3.47Å; L352-K356 PolarHBondContact O-N 3.1Å; R353-K356 PolarHBondContact O-N 2.98Å; R354-K356 VanDerWaalsContact C-N 3.32Å |
| 357 | N | 60.5 | Low | 85.1 | Confident | 198 Ų | 198 | 133.7 Ų | 133.7 | 100% | 1.059 | 61% | 0.605 | S | S | * | * | trans | -97.9 | 0 | 172.5 | -65.3 | -9.6 | 0 | 0 | 0 | 109 | R354 | R354-N357 VanDerWaalsContact O-OXT 3.06Š|
Retrieved 357 of 357 residues in 68.4 ms
(Link to these results)