| 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 | 37.7 | Very low | 46 | Very low | 216 Ų | 216 | 170.7 Ų | 170.7 | 100% | 1.064 | 84% | 0.841 | S | S | * | * | 0 | 98.5 | 0 | -67 | -67 | -167.1 | 0 | 0 | 107.8 | |||||
| 2 | H | 38.5 | Very low | 46.6 | Very low | 191 Ų | 191 | 165.8 Ų | 165.8 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | trans | -99.1 | 122.1 | 179.2 | -71.6 | -37.6 | 0 | 0 | 0 | 109.9 | V4 | H2-V4 PolarHBondContact O-N 2.92Š| ||
| 3 | H | 39.7 | Very low | 47.4 | Very low | 177 Ų | 177 | 159.5 Ų | 159.5 | 82% | 0.819 | 81% | 0.811 | S | S | * | * | trans | -81.3 | 109.2 | -178.2 | -43.2 | -85.7 | 0 | 0 | 0 | 109.2 | K5 | H3-K5 PolarHBondContact O-N 3.3Š| ||
| 4 | V | 41.8 | Very low | 48.1 | Very low | 128 Ų | 128 | 159.7 Ų | 159.7 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -85.4 | 110.6 | 172.4 | 178.6 | 0 | 0 | 0 | 0 | 108.2 | H2 I6 | H2-V4 PolarHBondContact O-N 2.92Å; V4-I6 PolarHBondContact O-N 2.78Å | ||
| 5 | K | 45.4 | Very low | 48.8 | Very low | 200 Ų | 200 | 155.7 Ų | 155.7 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -75.4 | 109.4 | 171.3 | -70 | -179.6 | 177.9 | 178.8 | 0 | 108.6 | H3 K7 | H3-K5 PolarHBondContact O-N 3.3Å; K5-K7 PolarHBondContact O-N 3.34Å | ||
| 6 | I | 52 | Low | 49.9 | Very low | 147 Ų | 147 | 150.8 Ų | 150.8 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -76.8 | 115.7 | 172.9 | -61.2 | 169.8 | 0 | 0 | 0 | 107.5 | V4 T8 | V4-I6 PolarHBondContact O-N 2.78Å; I6-T8 PolarHBondContact O-N 3.21Å | ||
| 7 | K | 46 | Very low | 51.5 | Low | 203 Ų | 203 | 143.5 Ų | 143.5 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | -78.2 | 106 | 173.1 | -167.8 | 166.3 | 177.8 | 179.2 | 0 | 107.4 | K5 E9 | K5-K7 PolarHBondContact O-N 3.34Å; K7-E9 PolarHBondContact O-N 3.42Å | ||
| 8 | T | 48.8 | Very low | 52.9 | Low | 125 Ų | 125 | 139 Ų | 139 | 77% | 0.767 | 73% | 0.728 | S | S | * | * | trans | -68.4 | 114.1 | 173.5 | 47.9 | 0 | 0 | 0 | 0 | 109.2 | I6 | I6-T8 PolarHBondContact O-N 3.21Š| ||
| 9 | E | 49.3 | Very low | 54.5 | Low | 186 Ų | 186 | 139.3 Ų | 139.3 | 87% | 0.869 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 136.2 | 168.6 | -164 | 175.2 | 160.3 | 0 | 0 | 109.1 | K7 | K7-E9 PolarHBondContact O-N 3.42Š|
| 10 | K | 53.8 | Low | 56.2 | Low | 192 Ų | 192 | 136.3 Ų | 136.3 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 138 | 177.2 | -87 | -168.3 | 166.7 | -176.6 | 0 | 109.1 | D12 | K10-D12 PolarHBondContact O-N 2.94Š|
| 11 | P | 52.7 | Low | 57.8 | Low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 123.6 | 171.3 | 26.9 | -32 | 0 | 0 | 0 | 109 | A13 | P11-A13 PolarHBondContact O-N 3.43Š|
| 12 | D | 52.8 | Low | 60.3 | Low | 112 Ų | 112 | 133.6 Ų | 133.6 | 60% | 0.599 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 128.6 | -178.5 | -145.5 | -19.7 | 0 | 0 | 0 | 109.5 | K10 E14 E15 | K10-D12 PolarHBondContact O-N 2.94Å; D12-E14 PolarHBondContact O-N 2.9Å; D12-E14 VanDerWaalsContact O-N 3.12Å; D12-E15 PolarHBondContact O-N 2.86Å; D12-E15 VanDerWaalsContact O-N 3.14Å |
| 13 | A | 57.3 | Low | 62.8 | Low | 84 Ų | 84 | 129.3 Ų | 129.3 | 69% | 0.694 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -63 | -22.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P11 G17 | P11-A13 PolarHBondContact O-N 3.43Å; A13-G17 PolarHBondContact O-N 3.2Å |
| 14 | E | 57.5 | Low | 65.3 | Low | 162 Ų | 162 | 123.7 Ų | 123.7 | 76% | 0.757 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.9 | -32.7 | 177 | -63.5 | -155 | 151.5 | 0 | 0 | 113.4 | D12 G17 A18 | D12-E14 PolarHBondContact O-N 2.9Å; D12-E14 VanDerWaalsContact O-N 3.12Å; E14-G17 PolarHBondContact O-N 3.1Å; E14-A18 PolarHBondContact O-N 2.88Å |
| 15 | E | 58 | Low | 67.8 | Low | 99 Ų | 99 | 122.1 Ų | 122.1 | 46% | 0.463 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70 | -36.1 | -179.5 | -159.6 | -170.7 | 159 | 0 | 0 | 111.3 | D12 A18 R19 | D12-E15 PolarHBondContact O-N 2.86Å; D12-E15 VanDerWaalsContact O-N 3.14Å; E15-A18 PolarHBondContact O-N 3.33Å; E15-R19 VanDerWaalsContact CD-NH1 3.26Å; E15-R19 WeakPolarHBondContact O-CG 3.49Å; E15-R19 PolarHBondContact O-N 2.94Å; E15-R19 VanDerWaalsContact O-N 3.17Å; E15-R19 IonicContact OE1-CZ 3.15Å; E15-R19 IonicContact OE1-NH1 3.95Å; E15-R19 PolarHBondContact OE1-NH1 3.49Å; E15-R19 IonicContact OE1-NH2 2.75Å; E15-R19 PolarHBondContact OE1-NH2 2.97Å; E15-R19 IonicContact OE2-NH1 2.84Å |
| 16 | S | 66.6 | Low | 70 | Confident | 77 Ų | 77 | 117.1 Ų | 117.1 | 54% | 0.538 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.5 | -36.5 | 172.5 | -65.9 | 0 | 0 | 0 | 0 | 112 | S20 | S16-S20 PolarHBondContact O-N 3.15Å; S16-S20 VanDerWaalsContact O-N 3.08Å |
| 17 | G | 77.9 | Confident | 71.7 | Confident | 28 Ų | 28 | 115.9 Ų | 115.9 | 29% | 0.289 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.2 | -39.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | A13 E14 R21 | A13-G17 PolarHBondContact O-N 3.2Å; E14-G17 PolarHBondContact O-N 3.1Å; G17-R21 WeakPolarHBondContact O-CD 3.33Å; G17-R21 VanDerWaalsContact O-CG 3.23Å; G17-R21 WeakPolarHBondContact O-CG 3.36Å; G17-R21 PolarHBondContact O-N 3.09Å; G17-R21 VanDerWaalsContact O-N 3.09Å |
| 18 | A | 76.6 | Confident | 73.7 | Confident | 62 Ų | 62 | 107.7 Ų | 107.7 | 51% | 0.512 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.2 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E14 E15 R21 L22 | E14-A18 PolarHBondContact O-N 2.88Å; E15-A18 PolarHBondContact O-N 3.33Å; A18-R21 PolarHBondContact O-N 3.49Å; A18-L22 PolarHBondContact O-N 2.72Å; A18-L22 VanDerWaalsContact O-N 3.11Å |
| 19 | R | 82.5 | Confident | 75.5 | Confident | 144 Ų | 144 | 107.3 Ų | 107.3 | 54% | 0.543 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.4 | -48.4 | 174.9 | -75.5 | -178.3 | 171.3 | 110.2 | 10.8 | 112.2 | E15 R21 L22 D23 | E15-R19 VanDerWaalsContact CD-NH1 3.26Å; E15-R19 WeakPolarHBondContact O-CG 3.49Å; E15-R19 PolarHBondContact O-N 2.94Å; E15-R19 VanDerWaalsContact O-N 3.17Å; E15-R19 IonicContact OE1-CZ 3.15Å; E15-R19 IonicContact OE1-NH1 3.95Å; E15-R19 PolarHBondContact OE1-NH1 3.49Å; E15-R19 IonicContact OE1-NH2 2.75Å; E15-R19 PolarHBondContact OE1-NH2 2.97Å; E15-R19 IonicContact OE2-NH1 2.84Å; R19-R21 VanDerWaalsContact C-N 3.3Å; R19-R21 PolarHBondContact O-N 3.42Å; R19-L22 WeakPolarHBondContact O-CB 3.41Å; R19-L22 PolarHBondContact O-N 3.37Å; R19-L22 VanDerWaalsContact O-N 3.15Å; R19-D23 PolarHBondContact O-N 2.75Å |
| 20 | S | 88.7 | Confident | 77.4 | Confident | 79 Ų | 79 | 102.4 Ų | 102.4 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.1 | -37.6 | 178.7 | 174.4 | 0 | 0 | 0 | 0 | 112.8 | S16 D23 A24 | S16-S20 PolarHBondContact O-N 3.15Å; S16-S20 VanDerWaalsContact O-N 3.08Å; S20-D23 PolarHBondContact O-N 2.98Å; S20-A24 WeakPolarHBondContact O-CB 3.43Å; S20-A24 PolarHBondContact O-N 3.04Å |
| 21 | R | 90.3 | Very high | 78.9 | Confident | 193 Ų | 193 | 98.5 Ų | 98.5 | 73% | 0.728 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.6 | -40.7 | 175.1 | -71.5 | 168 | -172.6 | -99.5 | 3.2 | 112.3 | G17 A18 R19 V25 | G17-R21 WeakPolarHBondContact O-CD 3.33Å; G17-R21 VanDerWaalsContact O-CG 3.23Å; G17-R21 WeakPolarHBondContact O-CG 3.36Å; G17-R21 PolarHBondContact O-N 3.09Å; G17-R21 VanDerWaalsContact O-N 3.09Å; A18-R21 PolarHBondContact O-N 3.49Å; R19-R21 VanDerWaalsContact C-N 3.3Å; R19-R21 PolarHBondContact O-N 3.42Å; R21-V25 WeakPolarHBondContact O-CG2 3.35Å; R21-V25 PolarHBondContact O-N 3.34Å; R21-V25 VanDerWaalsContact O-N 3.14Å |
| 22 | L | 89.4 | Confident | 80.1 | Confident | 103 Ų | 103 | 99.4 Ų | 99.4 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 176.9 | -178.6 | 68.3 | 0 | 0 | 0 | 111 | A18 R19 A24 V25 L26 | A18-L22 PolarHBondContact O-N 2.72Å; A18-L22 VanDerWaalsContact O-N 3.11Å; R19-L22 WeakPolarHBondContact O-CB 3.41Å; R19-L22 PolarHBondContact O-N 3.37Å; R19-L22 VanDerWaalsContact O-N 3.15Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 3.1Å; L22-V25 PolarHBondContact O-N 3.19Å; L22-L26 HydrophobicContact CG-CD1 4.14Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 2.92Å |
| 23 | D | 91.3 | Very high | 81.2 | Confident | 102 Ų | 102 | 97 Ų | 97 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 178.4 | -76.8 | -15.4 | 0 | 0 | 0 | 111.5 | R19 S20 V25 L26 Q27 | R19-D23 PolarHBondContact O-N 2.75Å; S20-D23 PolarHBondContact O-N 2.98Å; D23-V25 PolarHBondContact O-N 3.07Å; D23-L26 PolarHBondContact O-N 3.43Å; D23-Q27 WeakPolarHBondContact O-CB 3.32Å; D23-Q27 PolarHBondContact O-N 3.02Å |
| 24 | A | 92.5 | Very high | 82 | Confident | 59 Ų | 59 | 97 Ų | 97 | 49% | 0.488 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S20 L22 G28 | S20-A24 WeakPolarHBondContact O-CB 3.43Å; S20-A24 PolarHBondContact O-N 3.04Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 3.1Å; A24-G28 PolarHBondContact O-N 2.97Å |
| 25 | V | 93.6 | Very high | 82.6 | Confident | 95 Ų | 95 | 92.5 Ų | 92.5 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67 | -42.6 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | R21 L22 D23 G28 L29 | R21-V25 WeakPolarHBondContact O-CG2 3.35Å; R21-V25 PolarHBondContact O-N 3.34Å; R21-V25 VanDerWaalsContact O-N 3.14Å; L22-V25 PolarHBondContact O-N 3.19Å; D23-V25 PolarHBondContact O-N 3.07Å; V25-G28 PolarHBondContact O-N 3.23Å; V25-L29 PolarHBondContact O-N 3.43Å |
| 26 | L | 91.4 | Very high | 83 | Confident | 94 Ų | 94 | 93 Ų | 93 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 178 | -71.3 | 174.1 | 0 | 0 | 0 | 111.4 | L22 D23 L29 V30 | L22-L26 HydrophobicContact CG-CD1 4.14Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 2.92Å; D23-L26 PolarHBondContact O-N 3.43Å; L26-L29 PolarHBondContact O-N 2.86Å; L26-V30 WeakPolarHBondContact O-CG2 3.42Å; L26-V30 PolarHBondContact O-N 3.16Å; L26-V30 VanDerWaalsContact O-N 3.07Å |
| 27 | Q | 89.1 | Confident | 82.9 | Confident | 122 Ų | 122 | 97.4 Ų | 97.4 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 177.4 | -166.1 | 166.8 | 13.3 | 0 | 0 | 111.5 | D23 L29 V30 E31 | D23-Q27 WeakPolarHBondContact O-CB 3.32Å; D23-Q27 PolarHBondContact O-N 3.02Å; Q27-L29 VanDerWaalsContact C-N 3.28Å; Q27-L29 PolarHBondContact O-N 3.25Å; Q27-V30 PolarHBondContact O-N 3.26Å; Q27-E31 WeakPolarHBondContact O-CG 3.36Å; Q27-E31 PolarHBondContact O-N 3.22Å |
| 28 | G | 87.9 | Confident | 81.9 | Confident | 31 Ų | 31 | 103.2 Ų | 103.2 | 32% | 0.32 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -29.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | A24 V25 K32 | A24-G28 PolarHBondContact O-N 2.97Å; V25-G28 PolarHBondContact O-N 3.23Å; G28-K32 WeakPolarHBondContact O-CB 3.24Å; G28-K32 PolarHBondContact O-N 3.32Å; G28-K32 VanDerWaalsContact O-N 3.1Å |
| 29 | L | 86.6 | Confident | 81 | Confident | 117 Ų | 117 | 107.2 Ų | 107.2 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.7 | -40.6 | 174.9 | -136.9 | 85.1 | 0 | 0 | 0 | 111.7 | V25 L26 Q27 K32 S33 | V25-L29 PolarHBondContact O-N 3.43Å; L26-L29 PolarHBondContact O-N 2.86Å; Q27-L29 VanDerWaalsContact C-N 3.28Å; Q27-L29 PolarHBondContact O-N 3.25Å; L29-K32 PolarHBondContact O-N 3.18Å; L29-S33 PolarHBondContact O-N 3.41Å; L29-S33 PolarHBondContact O-OG 2.93Å; L29-S33 VanDerWaalsContact O-OG 3.09Å |
| 30 | V | 88.8 | Confident | 79.4 | Confident | 82 Ų | 82 | 106.4 Ų | 106.4 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.7 | -48.8 | 176.7 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | L26 Q27 K32 S33 D34 | L26-V30 WeakPolarHBondContact O-CG2 3.42Å; L26-V30 PolarHBondContact O-N 3.16Å; L26-V30 VanDerWaalsContact O-N 3.07Å; Q27-V30 PolarHBondContact O-N 3.26Å; V30-K32 VanDerWaalsContact C-N 3.29Å; V30-K32 PolarHBondContact O-N 3.18Å; V30-S33 WeakPolarHBondContact CA-OG 3.48Å; V30-S33 PolarHBondContact O-N 3.07Å; V30-S33 VanDerWaalsContact O-N 3.15Å; V30-S33 PolarHBondContact O-OG 3.35Å; V30-D34 PolarHBondContact O-N 3.45Å |
| 31 | E | 85.3 | Confident | 77.7 | Confident | 110 Ų | 110 | 109.3 Ų | 109.3 | 51% | 0.514 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62 | -36.9 | 177.7 | -70.8 | 171.8 | -175.6 | 0 | 0 | 112.1 | Q27 D34 S35 | Q27-E31 WeakPolarHBondContact O-CG 3.36Å; Q27-E31 PolarHBondContact O-N 3.22Å; E31-D34 PolarHBondContact O-N 2.97Å; E31-S35 WeakPolarHBondContact O-CB 3.42Å; E31-S35 PolarHBondContact O-N 2.98Å; E31-S35 PolarHBondContact O-OG 2.95Å |
| 32 | K | 78.3 | Confident | 75.7 | Confident | 132 Ų | 132 | 107.4 Ų | 107.4 | 57% | 0.574 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.1 | -44.9 | 172.5 | -108.3 | 162.4 | 155.8 | -77.1 | 0 | 112.4 | G28 L29 V30 D34 S35 E36 | G28-K32 WeakPolarHBondContact O-CB 3.24Å; G28-K32 PolarHBondContact O-N 3.32Å; G28-K32 VanDerWaalsContact O-N 3.1Å; L29-K32 PolarHBondContact O-N 3.18Å; V30-K32 VanDerWaalsContact C-N 3.29Å; V30-K32 PolarHBondContact O-N 3.18Å; K32-D34 VanDerWaalsContact C-N 3.32Å; K32-D34 PolarHBondContact O-N 3.14Å; K32-S35 PolarHBondContact O-N 3.45Å; K32-E36 WeakPolarHBondContact O-CB 3.33Å; K32-E36 WeakPolarHBondContact O-CG 3.09Å; K32-E36 PolarHBondContact O-N 3.26Å |
| 33 | S | 75.1 | Confident | 73.5 | Confident | 61 Ų | 61 | 110.7 Ų | 110.7 | 43% | 0.427 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.7 | -34.8 | 177.7 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | L29 V30 R37 | L29-S33 PolarHBondContact O-N 3.41Å; L29-S33 PolarHBondContact O-OG 2.93Å; L29-S33 VanDerWaalsContact O-OG 3.09Å; V30-S33 WeakPolarHBondContact CA-OG 3.48Å; V30-S33 PolarHBondContact O-N 3.07Å; V30-S33 VanDerWaalsContact O-N 3.15Å; V30-S33 PolarHBondContact O-OG 3.35Å; S33-R37 WeakPolarHBondContact O-CB 3.4Å; S33-R37 PolarHBondContact O-N 3.18Å; S33-R37 VanDerWaalsContact O-N 3.1Å |
| 34 | D | 74.5 | Confident | 71.3 | Confident | 86 Ų | 86 | 111.4 Ų | 111.4 | 46% | 0.46 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.1 | -39.4 | 174 | -78 | -26.2 | 0 | 0 | 0 | 111.5 | V30 E31 K32 R37 E38 | V30-D34 PolarHBondContact O-N 3.45Å; E31-D34 PolarHBondContact O-N 2.97Å; K32-D34 VanDerWaalsContact C-N 3.32Å; K32-D34 PolarHBondContact O-N 3.14Å; D34-R37 WeakPolarHBondContact O-CB 3.33Å; D34-R37 PolarHBondContact O-N 2.96Å; D34-E38 PolarHBondContact O-N 3.43Å |
| 35 | S | 70.6 | Confident | 69.1 | Low | 67 Ų | 67 | 117.7 Ų | 117.7 | 47% | 0.469 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.7 | -38.4 | 175.8 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | E31 K32 R37 E38 Q39 | E31-S35 WeakPolarHBondContact O-CB 3.42Å; E31-S35 PolarHBondContact O-N 2.98Å; E31-S35 PolarHBondContact O-OG 2.95Å; K32-S35 PolarHBondContact O-N 3.45Å; S35-R37 VanDerWaalsContact C-N 3.29Å; S35-E38 PolarHBondContact O-N 3.05Å; S35-Q39 WeakPolarHBondContact O-CB 3.39Å; S35-Q39 PolarHBondContact O-N 3.18Å |
| 36 | E | 66.2 | Low | 66.4 | Low | 108 Ų | 108 | 121.9 Ų | 121.9 | 51% | 0.505 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66 | -34.2 | 173.2 | -76.1 | 177.3 | 177.2 | 0 | 0 | 111.1 | K32 N40 | K32-E36 WeakPolarHBondContact O-CB 3.33Å; K32-E36 WeakPolarHBondContact O-CG 3.09Å; K32-E36 PolarHBondContact O-N 3.26Å; E36-N40 PolarHBondContact O-N 3.14Å; E36-N40 PolarHBondContact O-ND2 2.8Å |
| 37 | R | 63.8 | Low | 63.6 | Low | 171 Ų | 171 | 122.2 Ų | 122.2 | 65% | 0.645 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.5 | -42.2 | 175 | -167.7 | 174.9 | -178.9 | 175.1 | 0.3 | 111.8 | S33 D34 S35 N40 | S33-R37 WeakPolarHBondContact O-CB 3.4Å; S33-R37 PolarHBondContact O-N 3.18Å; S33-R37 VanDerWaalsContact O-N 3.1Å; D34-R37 WeakPolarHBondContact O-CB 3.33Å; D34-R37 PolarHBondContact O-N 2.96Å; S35-R37 VanDerWaalsContact C-N 3.29Å; R37-N40 PolarHBondContact O-N 2.96Å |
| 38 | E | 58.1 | Low | 61.1 | Low | 149 Ų | 149 | 125.5 Ų | 125.5 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.4 | -35.7 | 175.5 | -70.3 | -164.3 | 169.2 | 0 | 0 | 112.8 | D34 S35 N40 E41 | D34-E38 PolarHBondContact O-N 3.43Å; S35-E38 PolarHBondContact O-N 3.05Å; E38-N40 VanDerWaalsContact C-N 3.31Å; E38-N40 PolarHBondContact O-N 2.91Å; E38-E41 PolarHBondContact O-N 3.16Å |
| 39 | Q | 56.4 | Low | 58.6 | Low | 147 Ų | 147 | 130.9 Ų | 130.9 | 69% | 0.687 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.1 | -27.9 | 173.7 | -85.6 | -176.8 | -11.4 | 0 | 0 | 113.6 | S35 E41 | S35-Q39 WeakPolarHBondContact O-CB 3.39Å; S35-Q39 PolarHBondContact O-N 3.18Å; Q39-E41 VanDerWaalsContact C-N 3.31Å |
| 40 | N | 50.3 | Low | 56.1 | Low | 127 Ų | 127 | 129.9 Ų | 129.9 | 68% | 0.679 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -79.5 | -10.9 | 177.1 | -85.8 | -86.7 | 0 | 0 | 0 | 113.7 | E36 R37 E38 | E36-N40 PolarHBondContact O-N 3.14Å; E36-N40 PolarHBondContact O-ND2 2.8Å; R37-N40 PolarHBondContact O-N 2.96Å; E38-N40 VanDerWaalsContact C-N 3.31Å; E38-N40 PolarHBondContact O-N 2.91Å |
| 41 | E | 52.4 | Low | 54 | Low | 140 Ų | 140 | 134.2 Ų | 134.2 | 65% | 0.654 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -85.8 | -19.1 | 178.1 | -67.9 | -176.8 | -176.1 | 0 | 0 | 112.6 | E38 Q39 | E38-E41 PolarHBondContact O-N 3.16Å; Q39-E41 VanDerWaalsContact C-N 3.31Å |
| 42 | D | 48.2 | Very low | 51.6 | Low | 153 Ų | 153 | 134.5 Ų | 134.5 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -104.3 | -8 | -176.3 | -133.7 | 4.5 | 0 | 0 | 0 | 114.9 | ||
| 43 | E | 43.4 | Very low | 49.7 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | trans | -107.6 | 33.3 | 177 | -67.8 | -144.7 | 151.6 | 0 | 0 | 114.1 | K45 | E43-K45 PolarHBondContact O-N 3.11Š| ||
| 44 | T | 45.2 | Very low | 48.1 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | trans | -78.3 | 71.3 | 165.3 | 35.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 45 | K | 45.8 | Very low | 46.5 | Very low | 190 Ų | 190 | 144.8 Ų | 144.8 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 176.3 | 105.9 | 151.5 | -96.7 | 155 | -164.4 | -178.3 | 0 | 108.7 | E43 | E43-K45 PolarHBondContact O-N 3.11Š|
| 46 | M | 37.3 | Very low | 45.1 | Very low | 184 Ų | 184 | 147 Ų | 147 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | 146.2 | 138.4 | 135.1 | -74.4 | -54.9 | -135.9 | 0 | 0 | 111.8 | ||||
| 47 | A | 32.7 | Very low | 44.2 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | 77.9 | 98.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 48 | E | 36.9 | Very low | 43.1 | Very low | 191 Ų | 191 | 145.3 Ų | 145.3 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -38.6 | 147.6 | 145.1 | -170.9 | 170.1 | -174.2 | 0 | 0 | 115.2 | ||||
| 49 | D | 35.5 | Very low | 42.3 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | 101.9 | 143.4 | 151.7 | -158.5 | 41.3 | 0 | 0 | 0 | 121.1 | ||||
| 50 | S | 34 | Very low | 41.5 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | trans | 94.8 | 96.8 | 156.4 | -77 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 51 | L | 44.3 | Very low | 40.8 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 143.5 | 166.4 | -86.7 | 81.4 | 0 | 0 | 0 | 113.1 | ||
| 52 | S | 34.9 | Very low | 40.5 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 132.2 | 179.9 | 48.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 53 | K | 38.9 | Very low | 40.7 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 126.3 | 176.3 | -144.7 | 159.3 | -174.2 | 168.2 | 0 | 109.2 | ||
| 54 | D | 41.6 | Very low | 40.9 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 132.6 | 174.4 | -71.8 | -79.1 | 0 | 0 | 0 | 112.8 | ||
| 55 | V | 39.1 | Very low | 41.1 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | trans | -122.9 | 101.6 | 168.3 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 56 | S | 41.3 | Very low | 40.7 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -104.7 | 131.1 | 159.8 | -72.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 57 | P | 47.2 | Very low | 41.1 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | -91 | 123.7 | 167.4 | 31.5 | -26.2 | 0 | 0 | 0 | 111 | ||||
| 58 | S | 42.2 | Very low | 42 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | trans | -71.4 | 146 | 163.7 | -172.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 59 | S | 41.7 | Very low | 42.5 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -130.1 | 141 | 160.2 | 70.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 60 | A | 38 | Very low | 43.4 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -109.5 | 151.9 | -157.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 61 | G | 37 | Very low | 44 | Very low | 74 Ų | 74 | 148.7 Ų | 148.7 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | trans | 75.3 | 145.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 62 | K | 45.3 | Very low | 44 | Very low | 213 Ų | 213 | 150.4 Ų | 150.4 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | cis | -156 | 145.2 | 26.4 | -69.8 | 170.7 | 175.3 | 174.1 | 0 | 110.5 | ||||
| 63 | R | 52.9 | Low | 44.8 | Very low | 237 Ų | 237 | 156.8 Ų | 156.8 | 89% | 0.894 | 83% | 0.83 | S | S | * | * | trans | -81.9 | 161.6 | 168.9 | -77 | 178.3 | 167.4 | 159.1 | -3.3 | 111.3 | ||||
| 64 | P | 46.6 | Very low | 45.9 | Very low | 127 Ų | 127 | 157.1 Ų | 157.1 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | -130.4 | 122.5 | 100.2 | 32.7 | -21.4 | 0 | 0 | 0 | 111.1 | |||||
| 65 | S | 49.4 | Very low | 46.2 | Very low | 99 Ų | 99 | 158.5 Ų | 158.5 | 69% | 0.692 | 83% | 0.83 | S | S | * | * | 47.4 | 91.4 | 90.3 | -178.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 66 | S | 38.9 | Very low | 46.9 | Very low | 120 Ų | 120 | 163.6 Ų | 163.6 | 84% | 0.839 | 84% | 0.835 | S | S | * | * | trans | -130.1 | 123.7 | 154.2 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 67 | R | 43.9 | Very low | 47.6 | Very low | 225 Ų | 225 | 167.4 Ų | 167.4 | 85% | 0.849 | 84% | 0.837 | S | S | * | * | trans | -74.4 | 137.9 | -170 | -66.2 | 171.4 | -165.1 | 179.1 | 3.5 | 110.6 | ||||
| 68 | F | 52.2 | Low | 47.7 | Very low | 197 Ų | 197 | 170 Ų | 170 | 86% | 0.864 | 84% | 0.838 | S | S | * | * | trans | -57.6 | 142.7 | 160.4 | -76.1 | -92.2 | 0 | 0 | 0 | 111.2 | ||||
| 69 | P | 48.3 | Very low | 48 | Very low | 121 Ų | 121 | 173.1 Ų | 173.1 | 79% | 0.786 | 84% | 0.842 | S | S | * | * | trans | -90.6 | 104.3 | 149 | 23 | -9.5 | 0 | 0 | 0 | 109.3 | H71 | P69-H71 PolarHBondContact O-N 2.88Š| ||
| 70 | Q | 53.4 | Low | 47.9 | Very low | 191 Ų | 191 | 174 Ų | 174 | 89% | 0.893 | 84% | 0.837 | S | S | * | * | trans | -64.3 | 118.4 | 153.5 | -78.8 | 172.7 | -45.3 | 0 | 0 | 108.1 | ||||
| 71 | H | 46.9 | Very low | 47.8 | Very low | 157 Ų | 157 | 176.4 Ų | 176.4 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | trans | -140.4 | 101 | 161.4 | -155.8 | -93.4 | 0 | 0 | 0 | 113 | P69 | P69-H71 PolarHBondContact O-N 2.88Š| ||
| 72 | R | 44.8 | Very low | 47.9 | Very low | 210 Ų | 210 | 177.4 Ų | 177.4 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | trans | 46.7 | 111.7 | 143.7 | -76.4 | 171.2 | 64 | -179 | 3.6 | 120.6 | ||||
| 73 | R | 50.5 | Low | 47.8 | Very low | 249 Ų | 249 | 175 Ų | 175 | 94% | 0.94 | 83% | 0.828 | S | S | * | * | trans | -14.8 | 128 | 141.3 | -59.9 | 168.7 | 91.8 | 151.6 | 3.3 | 114.7 | ||||
| 74 | K | 63.3 | Low | 47.3 | Very low | 205 Ų | 205 | 169.9 Ų | 169.9 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | trans | -127.6 | 104.9 | 145.4 | -168.1 | 172.3 | -179.8 | 177.5 | 0 | 109.7 | ||||
| 75 | K | 47.3 | Very low | 47.3 | Very low | 191 Ų | 191 | 169.9 Ų | 169.9 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | trans | -60.2 | 126.1 | 167.7 | -173.4 | -178.3 | -175.8 | -178.2 | 0 | 108.7 | ||||
| 76 | R | 53.4 | Low | 46.9 | Very low | 243 Ų | 243 | 170.3 Ų | 170.3 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | -131.7 | 102.5 | 156.1 | -164.2 | 178.1 | -163.1 | -140.8 | 3.6 | 109.4 | ||||
| 77 | K | 56.4 | Low | 47.1 | Very low | 192 Ų | 192 | 169.4 Ų | 169.4 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 36.3 | 112.4 | 146.2 | -155.8 | 163.3 | -179.8 | 177.7 | 0 | 118.5 | ||||
| 78 | E | 49.6 | Very low | 47.6 | Very low | 179 Ų | 179 | 163.4 Ų | 163.4 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -51.7 | 141 | 161.8 | -63.5 | 163.4 | 169.5 | 0 | 0 | 112.2 | ||||
| 79 | M | 48.1 | Very low | 47.6 | Very low | 185 Ų | 185 | 160.8 Ų | 160.8 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -145.9 | 99.1 | 148 | -161.3 | 141 | 98.3 | 0 | 0 | 108 | ||||
| 80 | D | 39.3 | Very low | 47.9 | Very low | 139 Ų | 139 | 163.1 Ų | 163.1 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 21.7 | 106.6 | 136 | -158.4 | 50 | 0 | 0 | 0 | 118 | ||||
| 81 | D | 36.6 | Very low | 48 | Very low | 151 Ų | 151 | 159.4 Ų | 159.4 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | -156.4 | 87.9 | 124.6 | -166.5 | 32.9 | 0 | 0 | 0 | 107.8 | |||||
| 82 | S | 39.2 | Very low | 48.4 | Very low | 94 Ų | 94 | 155.7 Ų | 155.7 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | trans | -78.1 | 122.5 | 168.8 | -57.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 83 | L | 44 | Very low | 49.6 | Very low | 162 Ų | 162 | 149.2 Ų | 149.2 | 85% | 0.848 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 174.7 | 64.2 | 147.4 | -91.2 | 157.8 | 0 | 0 | 0 | 112.2 | ||
| 84 | T | 42.3 | Very low | 51.3 | Low | 131 Ų | 131 | 144.5 Ų | 144.5 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -164.5 | 10.7 | 150.4 | 37 | 0 | 0 | 0 | 0 | 114.5 | S86 | T84-S86 PolarHBondContact O-N 2.96Š|
| 85 | E | 45.3 | Very low | 52.6 | Low | 127 Ų | 127 | 137.5 Ų | 137.5 | 59% | 0.593 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 26.1 | -170.5 | -81.8 | -93.6 | 111.6 | 0 | 0 | 114.9 | Q88 | E85-Q88 PolarHBondContact OE1-NE2 3.46Å; E85-Q88 PolarHBondContact OE1-OE1 3.43Å |
| 86 | S | 41.1 | Very low | 54.6 | Low | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 1.5 | -178.5 | 70.9 | 0 | 0 | 0 | 0 | 116.1 | T84 | T84-S86 PolarHBondContact O-N 2.96Š|
| 87 | N | 43.3 | Very low | 56.3 | Low | 101 Ų | 101 | 128 Ų | 128 | 54% | 0.54 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -116.3 | -17.1 | -178.7 | -134.6 | -49.6 | 0 | 0 | 0 | 115.3 | H89 | N87-H89 PolarHBondContact O-N 3.24Š|
| 88 | Q | 53.8 | Low | 57.8 | Low | 99 Ų | 99 | 122.8 Ų | 122.8 | 46% | 0.463 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.6 | -38.4 | -177.3 | -63.3 | 179.8 | 23.1 | 0 | 0 | 112.1 | E85 K90 Q91 N92 | E85-Q88 PolarHBondContact OE1-NE2 3.46Å; E85-Q88 PolarHBondContact OE1-OE1 3.43Å; Q88-K90 VanDerWaalsContact C-N 3.29Å; Q88-K90 PolarHBondContact O-N 3.44Å; Q88-Q91 PolarHBondContact O-N 2.64Å; Q88-N92 WeakPolarHBondContact O-CB 3.29Å; Q88-N92 PolarHBondContact O-N 2.9Å; Q88-N92 PolarHBondContact O-ND2 2.89Å |
| 89 | H | 52.7 | Low | 59.4 | Low | 142 Ų | 142 | 123 Ų | 123 | 66% | 0.657 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.3 | -27.1 | -175.9 | -72.6 | 87 | 0 | 0 | 0 | 114.3 | N87 | N87-H89 PolarHBondContact O-N 3.24Å |
| 90 | K | 53.7 | Low | 61.1 | Low | 171 Ų | 171 | 120.3 Ų | 120.3 | 74% | 0.743 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -81 | -34.3 | 177.1 | -68.6 | -177.7 | -179.6 | -179 | 0 | 112.6 | Q88 | Q88-K90 VanDerWaalsContact C-N 3.29Å; Q88-K90 PolarHBondContact O-N 3.44Å |
| 91 | Q | 55.9 | Low | 63.5 | Low | 112 Ų | 112 | 116.3 Ų | 116.3 | 52% | 0.523 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -74.3 | -32.6 | 176.3 | -61.2 | -80.2 | -23.5 | 0 | 0 | 111.4 | Q88 A93 | Q88-Q91 PolarHBondContact O-N 2.64Å; Q91-A93 PolarHBondContact O-N 3.11Å |
| 92 | N | 55.6 | Low | 66 | Low | 79 Ų | 79 | 111.5 Ų | 111.5 | 42% | 0.422 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -69.4 | -10.5 | -179.1 | -68.1 | -27.2 | 0 | 0 | 0 | 114.4 | Q88 Y94 I95 | Q88-N92 WeakPolarHBondContact O-CB 3.29Å; Q88-N92 PolarHBondContact O-N 2.9Å; Q88-N92 PolarHBondContact O-ND2 2.89Å; N92-Y94 PolarHBondContact O-N 3.15Å; N92-I95 PolarHBondContact O-N 3.45Å |
| 93 | A | 69.4 | Low | 68.5 | Low | 75 Ų | 75 | 107.7 Ų | 107.7 | 62% | 0.62 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -65.2 | -21.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q91 | Q91-A93 PolarHBondContact O-N 3.11Š|
| 94 | Y | 87.4 | Confident | 70.8 | Confident | 149 Ų | 149 | 101.7 Ų | 101.7 | 58% | 0.584 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -114 | 11 | 179.1 | -64 | -78.9 | 0 | 0 | 0 | 112.8 | N92 L105 A106 | N92-Y94 PolarHBondContact O-N 3.15Å; Y94-L105 WeakPolarHBondContact O-CA 3.45Å; Y94-L105 WeakPolarHBondContact O-CB 3.25Å; Y94-L105 WeakPolarHBondContact O-CG 3.34Å; Y94-L105 PolarHBondContact O-N 3.5Å; Y94-A106 HydrophobicContact CD2-CB 4.38Å; Y94-A106 HydrophobicContact CG-CB 4.4Å |
| 95 | I | 89.9 | Confident | 73.1 | Confident | 59 Ų | 59 | 98 Ų | 98 | 30% | 0.303 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.4 | -179.3 | -56.5 | -177.7 | 0 | 0 | 0 | 109.7 | N92 V103 D104 | N92-I95 PolarHBondContact O-N 3.45Å; I95-V103 WeakPolarHBondContact CA-O 3.43Å; I95-D104 HydrophobicContact CG1-CB 4.11Å |
| 96 | I | 89.9 | Confident | 75.3 | Confident | 83 Ų | 83 | 94.7 Ų | 94.7 | 43% | 0.426 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.6 | 171.8 | -65.2 | -174.7 | 0 | 0 | 0 | 109 | L98 S102 V103 L105 | I96-L98 HydrophobicContact CG2-CD1 3.22Å; I96-S102 CarbonylContact O-C 3.59Å; I96-S102 WeakPolarHBondContact O-CA 3.42Å; I96-V103 HydrophobicContact CB-CG1 4.5Å; I96-V103 PolarHBondContact N-O 3.42Å; I96-V103 PolarHBondContact O-N 2.96Å; I96-L105 HydrophobicContact CD1-CD1 3.52Å; I96-L105 HydrophobicContact CD1-CG 4.38Å; I96-L105 HydrophobicContact CG1-CD1 3.82Å; I96-L105 HydrophobicContact CG1-CG 4.38Å |
| 97 | K | 89.3 | Confident | 77.6 | Confident | 151 Ų | 151 | 96 Ų | 96 | 66% | 0.657 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.4 | 176.2 | -171.8 | 179.2 | 179.3 | 179.6 | 0 | 111.4 | R101 | K97-R101 CarbonylContact C-O 3.46Å; K97-R101 VanDerWaalsContact CA-O 3.3Å; K97-R101 WeakPolarHBondContact CA-O 3.41Å |
| 98 | L | 88 | Confident | 79.9 | Confident | 82 Ų | 82 | 93.9 Ų | 93.9 | 43% | 0.429 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 132.4 | 175.8 | -88 | 80.3 | 0 | 0 | 0 | 109.9 | I96 D100 R101 W121 | I96-L98 HydrophobicContact CG2-CD1 3.22Å; L98-D100 PolarHBondContact O-N 3.09Å; L98-R101 PolarHBondContact N-O 3.34Å; L98-R101 WeakPolarHBondContact O-CB 3.48Å; L98-R101 PolarHBondContact O-N 3.08Å; L98-R101 VanDerWaalsContact O-O 3.12Å; L98-W121 HydrophobicContact CB-CZ2 4.01Å |
| 99 | F | 82.3 | Confident | 81.6 | Confident | 185 Ų | 185 | 93.3 Ų | 93.3 | 81% | 0.811 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 54.6 | 172.8 | -58 | -75 | 0 | 0 | 0 | 113.5 | R101 | F99-R101 PolarHBondContact O-N 2.91Å; F99-R101 VanDerWaalsContact O-N 3.09Å |
| 100 | D | 83.8 | Confident | 83.4 | Confident | 127 Ų | 127 | 94.1 Ų | 94.1 | 68% | 0.679 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 6.3 | -177.7 | -60.8 | -36.6 | 0 | 0 | 0 | 116.9 | L98 P126 | L98-D100 PolarHBondContact O-N 3.09Å; D100-P126 HydrophobicContact CB-CG 4.38Å; D100-P126 WeakPolarHBondContact O-CG 3.36Å |
| 101 | R | 89.6 | Confident | 85.4 | Confident | 55 Ų | 55 | 90.9 Ų | 90.9 | 21% | 0.208 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 143.9 | 175.2 | -54.9 | -172.8 | -174.6 | -163.5 | 5.3 | 110.6 | K97 L98 F99 W121 M122 N124 N125 | K97-R101 CarbonylContact C-O 3.46Å; K97-R101 VanDerWaalsContact CA-O 3.3Å; K97-R101 WeakPolarHBondContact CA-O 3.41Å; L98-R101 PolarHBondContact N-O 3.34Å; L98-R101 WeakPolarHBondContact O-CB 3.48Å; L98-R101 PolarHBondContact O-N 3.08Å; L98-R101 VanDerWaalsContact O-O 3.12Å; F99-R101 PolarHBondContact O-N 2.91Å; F99-R101 VanDerWaalsContact O-N 3.09Å; R101-W121 VanDerWaalsContact CB-NE1 3.33Å; R101-M122 PolarHBondContact NH1-O 2.8Å; R101-M122 VanDerWaalsContact NH1-O 3.14Å; R101-N124 WeakPolarHBondContact CB-O 3.18Å; R101-N124 VanDerWaalsContact CD-O 3.25Å; R101-N124 WeakPolarHBondContact CD-O 3.46Å; R101-N124 WeakPolarHBondContact CG-O 3.46Å; R101-N125 VanDerWaalsContact CZ-CG 3.43Å; R101-N125 PolarHBondContact NH2-ND2 3.15Å; R101-N125 PolarHBondContact NH2-OD1 2.99Å |
| 102 | S | 89.4 | Confident | 87.2 | Confident | 50 Ų | 50 | 87.4 Ų | 87.4 | 35% | 0.35 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 145.3 | 173.5 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | I96 N124 | I96-S102 CarbonylContact O-C 3.59Å; I96-S102 WeakPolarHBondContact O-CA 3.42Å; S102-N124 PolarHBondContact N-OD1 2.78Å; S102-N124 VanDerWaalsContact O-CG 3.31Å; S102-N124 PolarHBondContact O-OD1 2.94Å |
| 103 | V | 92.4 | Very high | 89 | Confident | 15 Ų | 15 | 87.7 Ų | 87.7 | 9% | 0.091 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.5 | 166 | 98.6 | 0 | 0 | 0 | 0 | 108.3 | I95 I96 L105 I117 A120 W121 | I95-V103 WeakPolarHBondContact CA-O 3.43Å; I96-V103 HydrophobicContact CB-CG1 4.5Å; I96-V103 PolarHBondContact N-O 3.42Å; I96-V103 PolarHBondContact O-N 2.96Å; V103-L105 HydrophobicContact CG1-CD2 3.81Å; V103-L105 HydrophobicContact CG1-CG 4.37Å; V103-I117 HydrophobicContact CG1-CG2 4.02Å; V103-I117 HydrophobicContact CG2-CG2 4.33Å; V103-A120 HydrophobicContact CG2-CB 4.03Å; V103-W121 HydrophobicContact CB-CB 4.05Å; V103-W121 HydrophobicContact CG2-CB 3.86Å |
| 104 | D | 92.2 | Very high | 90.2 | Very high | 35 Ų | 35 | 90.2 Ų | 90.2 | 19% | 0.187 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 110.4 | 178.2 | 176.3 | 10.9 | 0 | 0 | 0 | 109.2 | I95 A106 Q107 Y108 | I95-D104 HydrophobicContact CG1-CB 4.11Å; D104-A106 VanDerWaalsContact C-N 3.3Å; D104-A106 VanDerWaalsContact OD1-CB 3.29Å; D104-A106 WeakPolarHBondContact OD1-CB 3.3Å; D104-A106 PolarHBondContact OD1-N 3.28Å; D104-Q107 HydrophobicContact CB-CG 4.28Å; D104-Q107 WeakPolarHBondContact OD2-CG 3.26Å; D104-Q107 PolarHBondContact OD2-NE2 3.16Å; D104-Y108 WeakPolarHBondContact O-CD2 3.5Å; D104-Y108 WeakPolarHBondContact O-CE2 3.49Å |
| 105 | L | 90.9 | Very high | 90.6 | Very high | 53 Ų | 53 | 90 Ų | 90 | 28% | 0.277 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -77 | -16.4 | -179.8 | -57.5 | 177.3 | 0 | 0 | 0 | 112.9 | Y94 I96 V103 Q107 Y108 I117 | Y94-L105 WeakPolarHBondContact O-CA 3.45Å; Y94-L105 WeakPolarHBondContact O-CB 3.25Å; Y94-L105 WeakPolarHBondContact O-CG 3.34Å; Y94-L105 PolarHBondContact O-N 3.5Å; I96-L105 HydrophobicContact CD1-CD1 3.52Å; I96-L105 HydrophobicContact CD1-CG 4.38Å; I96-L105 HydrophobicContact CG1-CD1 3.82Å; I96-L105 HydrophobicContact CG1-CG 4.38Å; V103-L105 HydrophobicContact CG1-CD2 3.81Å; V103-L105 HydrophobicContact CG1-CG 4.37Å; L105-Q107 PolarHBondContact O-N 2.98Å; L105-Y108 PolarHBondContact O-N 3.36Å; L105-I117 HydrophobicContact CD2-CG2 3.65Å |
| 106 | A | 90 | Very high | 90.9 | Very high | 58 Ų | 58 | 89.7 Ų | 89.7 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -65.6 | -18.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y94 D104 Y108 | Y94-A106 HydrophobicContact CD2-CB 4.38Å; Y94-A106 HydrophobicContact CG-CB 4.4Å; D104-A106 VanDerWaalsContact C-N 3.3Å; D104-A106 VanDerWaalsContact OD1-CB 3.29Å; D104-A106 WeakPolarHBondContact OD1-CB 3.3Å; D104-A106 PolarHBondContact OD1-N 3.28Å; A106-Y108 PolarHBondContact O-N 3.28Å |
| 107 | Q | 89.7 | Confident | 91.1 | Very high | 136 Ų | 136 | 86.9 Ų | 86.9 | 64% | 0.636 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -76.2 | -9.4 | 175.7 | -59.8 | 179.4 | 24.2 | 0 | 0 | 113.2 | D104 L105 | D104-Q107 HydrophobicContact CB-CG 4.28Å; D104-Q107 WeakPolarHBondContact OD2-CG 3.26Å; D104-Q107 PolarHBondContact OD2-NE2 3.16Å; L105-Q107 PolarHBondContact O-N 2.98Å |
| 108 | Y | 90.9 | Very high | 91.3 | Very high | 56 Ų | 56 | 82.1 Ų | 82.1 | 22% | 0.22 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -120.3 | 146.2 | -175.2 | -54.7 | -69.8 | 0 | 0 | 0 | 111.3 | D104 L105 A106 T112 I117 A120 | D104-Y108 WeakPolarHBondContact O-CD2 3.5Å; D104-Y108 WeakPolarHBondContact O-CE2 3.49Å; L105-Y108 PolarHBondContact O-N 3.36Å; A106-Y108 PolarHBondContact O-N 3.28Å; Y108-T112 HydrophobicContact CD1-CG2 3.77Å; Y108-T112 HydrophobicContact CG-CG2 4.28Å; Y108-I117 HydrophobicContact CD1-CG1 4.03Å; Y108-I117 HydrophobicContact CD2-CB 4.46Å; Y108-I117 HydrophobicContact CD2-CD1 4.19Å; Y108-I117 HydrophobicContact CD2-CG1 3.75Å; Y108-I117 HydrophobicContact CD2-CG2 4.22Å; Y108-I117 HydrophobicContact CE1-CG1 4.26Å; Y108-I117 HydrophobicContact CE2-CB 4.31Å; Y108-I117 HydrophobicContact CE2-CG1 4.01Å; Y108-I117 HydrophobicContact CE2-CG2 4.06Å; Y108-I117 HydrophobicContact CG-CD1 4.12Å; Y108-I117 HydrophobicContact CG-CG1 3.76Å; Y108-A120 WeakPolarHBondContact OH-CB 3.42Å |
| 109 | T | 91.3 | Very high | 91.5 | Very high | 86 Ų | 86 | 83.4 Ų | 83.4 | 53% | 0.528 | 45% | 0.448 | S | S | . | . | trans | -86.2 | 163.1 | 172.3 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | S111 T112 | T109-S111 PolarHBondContact O-N 3.04Å; T109-S111 VanDerWaalsContact O-N 3.16Å; T109-S111 PolarHBondContact OG1-OG 2.94Å; T109-T112 PolarHBondContact N-OG1 3.42Å; T109-T112 VanDerWaalsContact N-OG1 3.14Å; T109-T112 VanDerWaalsContact O-CB 3.24Å; T109-T112 WeakPolarHBondContact O-CB 3.5Å; T109-T112 PolarHBondContact O-N 3.42Å; T109-T112 PolarHBondContact O-OG1 3.42Å; T109-T112 PolarHBondContact OG1-N 3.31Å; T109-T112 PolarHBondContact OG1-OG1 3.39Å | ||
| 110 | T | 89.4 | Confident | 92 | Very high | 160 Ų | 160 | 75.6 Ų | 75.6 | 98% | 0.982 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.7 | 172.8 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | T112 | T110-T112 VanDerWaalsContact C-N 3.34Š|
| 111 | S | 95.2 | Very high | 92.4 | Very high | 103 Ų | 103 | 73.1 Ų | 73.1 | 72% | 0.72 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -6.9 | 173.1 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | T109 P113 | T109-S111 PolarHBondContact O-N 3.04Å; T109-S111 VanDerWaalsContact O-N 3.16Å; T109-S111 PolarHBondContact OG1-OG 2.94Å; S111-P113 WeakPolarHBondContact O-CD 3.23Å |
| 112 | T | 93.6 | Very high | 92.5 | Very high | 38 Ų | 38 | 74.9 Ų | 74.9 | 23% | 0.233 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -72.7 | 123.6 | -179.8 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | Y108 T109 T110 P116 I117 | Y108-T112 HydrophobicContact CD1-CG2 3.77Å; Y108-T112 HydrophobicContact CG-CG2 4.28Å; T109-T112 PolarHBondContact N-OG1 3.42Å; T109-T112 VanDerWaalsContact N-OG1 3.14Å; T109-T112 VanDerWaalsContact O-CB 3.24Å; T109-T112 WeakPolarHBondContact O-CB 3.5Å; T109-T112 PolarHBondContact O-N 3.42Å; T109-T112 PolarHBondContact O-OG1 3.42Å; T109-T112 PolarHBondContact OG1-N 3.31Å; T109-T112 PolarHBondContact OG1-OG1 3.39Å; T110-T112 VanDerWaalsContact C-N 3.34Å; T112-P116 HydrophobicContact CG2-CB 4.25Å; T112-P116 HydrophobicContact CG2-CG 4.35Å; T112-I117 HydrophobicContact CG2-CD1 4.39Å; T112-I117 HydrophobicContact CG2-CG1 4.21Å |
| 113 | P | 95.3 | Very high | 92.4 | Very high | 86 Ų | 86 | 81.2 Ų | 81.2 | 56% | 0.558 | 43% | 0.427 | S | S | * | . | trans | -64.5 | 156 | 176 | 26 | -32.3 | 0 | 0 | 0 | 110.7 | S111 Y115 P116 | S111-P113 WeakPolarHBondContact O-CD 3.23Å; P113-Y115 PolarHBondContact O-N 3.02Å; P113-Y115 VanDerWaalsContact O-N 3.16Å; P113-P116 HydrophobicContact CG-CG 4.14Å; P113-P116 VanDerWaalsContact O-CD 3.26Å; P113-P116 WeakPolarHBondContact O-CD 2.97Å | ||
| 114 | L | 94.7 | Very high | 92.2 | Very high | 127 Ų | 127 | 84 Ų | 84 | 67% | 0.665 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.6 | -28.8 | -175.6 | -176.7 | 59.4 | 0 | 0 | 0 | 113.4 | I117 C118 | L114-I117 WeakPolarHBondContact O-CB 3.48Å; L114-I117 PolarHBondContact O-N 3.29Å; L114-I117 VanDerWaalsContact O-N 3.16Å; L114-C118 PolarHBondContact O-N 3.19Å; L114-C118 PolarHBondContact O-SG 3.29Å |
| 115 | Y | 95.7 | Very high | 91.7 | Very high | 144 Ų | 144 | 84.2 Ų | 84.2 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.6 | -51.4 | -172.9 | -178.6 | -96.1 | 0 | 0 | 0 | 114.5 | P113 I117 C118 R119 | P113-Y115 PolarHBondContact O-N 3.02Å; P113-Y115 VanDerWaalsContact O-N 3.16Å; Y115-I117 PolarHBondContact O-N 2.94Å; Y115-C118 PolarHBondContact O-N 3.09Å; Y115-R119 HydrophobicContact CD1-CG 4.28Å; Y115-R119 HydrophobicContact CE1-CG 3.78Å; Y115-R119 HydrophobicContact CE2-CG 4.38Å; Y115-R119 WeakPolarHBondContact O-CB 3.46Å; Y115-R119 PolarHBondContact O-N 3.11Å; Y115-R119 PolarHBondContact OH-NE 3.32Å; Y115-R119 PolarHBondContact OH-NH2 2.95Å; Y115-R119 VanDerWaalsContact OH-NH2 3.13Å |
| 116 | P | 94.5 | Very high | 90.9 | Very high | 53 Ų | 53 | 84.6 Ų | 84.6 | 34% | 0.344 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -50.7 | -40.3 | 171 | -30.3 | 30.9 | 0 | 0 | 0 | 114.7 | T112 P113 R119 A120 | T112-P116 HydrophobicContact CG2-CB 4.25Å; T112-P116 HydrophobicContact CG2-CG 4.35Å; P113-P116 HydrophobicContact CG-CG 4.14Å; P113-P116 VanDerWaalsContact O-CD 3.26Å; P113-P116 WeakPolarHBondContact O-CD 2.97Å; P116-R119 PolarHBondContact O-N 3.34Å; P116-A120 PolarHBondContact O-N 2.91Å |
| 117 | I | 94.3 | Very high | 90 | Very high | 24 Ų | 24 | 86.3 Ų | 86.3 | 12% | 0.123 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -68.3 | -48.6 | -178.9 | -51.9 | 176.8 | 0 | 0 | 0 | 109.6 | V103 L105 Y108 T112 L114 Y115 R119 A120 W121 | V103-I117 HydrophobicContact CG1-CG2 4.02Å; V103-I117 HydrophobicContact CG2-CG2 4.33Å; L105-I117 HydrophobicContact CD2-CG2 3.65Å; Y108-I117 HydrophobicContact CD1-CG1 4.03Å; Y108-I117 HydrophobicContact CD2-CB 4.46Å; Y108-I117 HydrophobicContact CD2-CD1 4.19Å; Y108-I117 HydrophobicContact CD2-CG1 3.75Å; Y108-I117 HydrophobicContact CD2-CG2 4.22Å; Y108-I117 HydrophobicContact CE1-CG1 4.26Å; Y108-I117 HydrophobicContact CE2-CB 4.31Å; Y108-I117 HydrophobicContact CE2-CG1 4.01Å; Y108-I117 HydrophobicContact CE2-CG2 4.06Å; Y108-I117 HydrophobicContact CG-CD1 4.12Å; Y108-I117 HydrophobicContact CG-CG1 3.76Å; T112-I117 HydrophobicContact CG2-CD1 4.39Å; T112-I117 HydrophobicContact CG2-CG1 4.21Å; L114-I117 WeakPolarHBondContact O-CB 3.48Å; L114-I117 PolarHBondContact O-N 3.29Å; L114-I117 VanDerWaalsContact O-N 3.16Å; Y115-I117 PolarHBondContact O-N 2.94Å; I117-R119 VanDerWaalsContact C-N 3.28Å; I117-R119 PolarHBondContact O-N 3.36Å; I117-A120 PolarHBondContact O-N 3.09Å; I117-W121 PolarHBondContact O-N 3.17Å |
| 118 | C | 93.4 | Very high | 88.8 | Confident | 52 Ų | 52 | 84.9 Ų | 84.9 | 35% | 0.351 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.8 | -38.2 | 174.4 | -66.9 | 0 | 0 | 0 | 0 | 112.4 | L114 Y115 W121 M122 | L114-C118 PolarHBondContact O-N 3.19Å; L114-C118 PolarHBondContact O-SG 3.29Å; Y115-C118 PolarHBondContact O-N 3.09Å; C118-W121 PolarHBondContact O-N 3.5Å; C118-M122 WeakPolarHBondContact O-CG 3.41Å; C118-M122 PolarHBondContact O-N 3.23Å |
| 119 | R | 93.6 | Very high | 87.2 | Confident | 109 Ų | 109 | 92.1 Ų | 92.1 | 41% | 0.411 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.7 | -87.7 | -74 | -168.3 | 171.9 | 5.9 | 112.4 | Y115 P116 I117 M122 R123 | Y115-R119 HydrophobicContact CD1-CG 4.28Å; Y115-R119 HydrophobicContact CE1-CG 3.78Å; Y115-R119 HydrophobicContact CE2-CG 4.38Å; Y115-R119 WeakPolarHBondContact O-CB 3.46Å; Y115-R119 PolarHBondContact O-N 3.11Å; Y115-R119 PolarHBondContact OH-NE 3.32Å; Y115-R119 PolarHBondContact OH-NH2 2.95Å; Y115-R119 VanDerWaalsContact OH-NH2 3.13Å; P116-R119 PolarHBondContact O-N 3.34Å; I117-R119 VanDerWaalsContact C-N 3.28Å; I117-R119 PolarHBondContact O-N 3.36Å; R119-M122 HydrophobicContact CG-CE 4.19Å; R119-M122 PolarHBondContact O-N 2.98Å; R119-R123 WeakPolarHBondContact O-CG 3.48Å; R119-R123 PolarHBondContact O-N 3Å; R119-R123 VanDerWaalsContact O-N 3.15Å |
| 120 | A | 92.2 | Very high | 85.4 | Confident | 21 Ų | 21 | 96 Ų | 96 | 17% | 0.174 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -64 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V103 Y108 P116 I117 M122 R123 N124 | V103-A120 HydrophobicContact CG2-CB 4.03Å; Y108-A120 WeakPolarHBondContact OH-CB 3.42Å; P116-A120 PolarHBondContact O-N 2.91Å; I117-A120 PolarHBondContact O-N 3.09Å; A120-M122 PolarHBondContact O-N 3.1Å; A120-R123 PolarHBondContact O-N 3.14Å; A120-R123 VanDerWaalsContact O-N 3.14Å; A120-N124 PolarHBondContact O-N 3.15Å |
| 121 | W | 92.5 | Very high | 83.4 | Confident | 75 Ų | 75 | 100 Ų | 100 | 28% | 0.284 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 174.9 | -178.9 | 70.9 | 0 | 0 | 0 | 112.8 | L98 R101 V103 I117 C118 R123 N124 | L98-W121 HydrophobicContact CB-CZ2 4.01Å; R101-W121 VanDerWaalsContact CB-NE1 3.33Å; V103-W121 HydrophobicContact CB-CB 4.05Å; V103-W121 HydrophobicContact CG2-CB 3.86Å; I117-W121 PolarHBondContact O-N 3.17Å; C118-W121 PolarHBondContact O-N 3.5Å; W121-R123 VanDerWaalsContact C-N 3.3Å; W121-R123 PolarHBondContact O-N 2.95Å; W121-N124 PolarHBondContact O-N 3.29Å |
| 122 | M | 90.6 | Very high | 81.2 | Confident | 91 Ų | 91 | 98.6 Ų | 98.6 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -32.6 | 175.8 | -76.2 | -173.3 | -72.9 | 0 | 0 | 113.3 | R101 C118 R119 A120 | R101-M122 PolarHBondContact NH1-O 2.8Å; R101-M122 VanDerWaalsContact NH1-O 3.14Å; C118-M122 WeakPolarHBondContact O-CG 3.41Å; C118-M122 PolarHBondContact O-N 3.23Å; R119-M122 HydrophobicContact CG-CE 4.19Å; R119-M122 PolarHBondContact O-N 2.98Å; A120-M122 PolarHBondContact O-N 3.1Å |
| 123 | R | 88.7 | Confident | 79.1 | Confident | 184 Ų | 184 | 101.4 Ų | 101.4 | 69% | 0.694 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -75.6 | -32.1 | 176 | -70.5 | -172.8 | -161.5 | 101.5 | -5.7 | 112.9 | R119 A120 W121 N125 | R119-R123 WeakPolarHBondContact O-CG 3.48Å; R119-R123 PolarHBondContact O-N 3Å; R119-R123 VanDerWaalsContact O-N 3.15Å; A120-R123 PolarHBondContact O-N 3.14Å; A120-R123 VanDerWaalsContact O-N 3.14Å; W121-R123 VanDerWaalsContact C-N 3.3Å; W121-R123 PolarHBondContact O-N 2.95Å; R123-N125 PolarHBondContact O-N 3.13Å |
| 124 | N | 86.9 | Confident | 76.9 | Confident | 73 Ų | 73 | 102.1 Ų | 102.1 | 39% | 0.39 | 53% | 0.527 | S | S | . | . | trans | -72.5 | 67.7 | 173.3 | -171.1 | -93.6 | 0 | 0 | 0 | 109.9 | R101 S102 A120 W121 P126 | R101-N124 WeakPolarHBondContact CB-O 3.18Å; R101-N124 VanDerWaalsContact CD-O 3.25Å; R101-N124 WeakPolarHBondContact CD-O 3.46Å; R101-N124 WeakPolarHBondContact CG-O 3.46Å; S102-N124 PolarHBondContact N-OD1 2.78Å; S102-N124 VanDerWaalsContact O-CG 3.31Å; S102-N124 PolarHBondContact O-OD1 2.94Å; A120-N124 PolarHBondContact O-N 3.15Å; W121-N124 PolarHBondContact O-N 3.29Å; N124-P126 WeakPolarHBondContact O-CD 3.13Å | ||
| 125 | N | 82.3 | Confident | 74.7 | Confident | 40 Ų | 40 | 101.6 Ų | 101.6 | 21% | 0.214 | 53% | 0.532 | C | S | . | . | trans | -111.2 | 98.9 | -178.4 | -172.7 | 6.3 | 0 | 0 | 0 | 110.2 | R101 R123 A127 V128 | R101-N125 VanDerWaalsContact CZ-CG 3.43Å; R101-N125 PolarHBondContact NH2-ND2 3.15Å; R101-N125 PolarHBondContact NH2-OD1 2.99Å; R123-N125 PolarHBondContact O-N 3.13Å; N125-A127 PolarHBondContact O-N 3.18Å; N125-A127 WeakPolarHBondContact OD1-CB 3.38Å; N125-A127 PolarHBondContact OD1-N 3.26Å; N125-V128 HydrophobicContact CB-CB 4.27Å; N125-V128 HydrophobicContact CB-CG2 4.48Å; N125-V128 WeakPolarHBondContact ND2-CG2 3.25Å; N125-V128 CarbonylContact O-C 3.36Å; N125-V128 PolarHBondContact O-N 3.14Å | ||
| 126 | P | 74.4 | Confident | 72.4 | Confident | 61 Ų | 61 | 99.3 Ų | 99.3 | 40% | 0.396 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -67.4 | -21.6 | -179.7 | 28.7 | -35 | 0 | 0 | 0 | 112.9 | D100 N124 V128 R129 | D100-P126 HydrophobicContact CB-CG 4.38Å; D100-P126 WeakPolarHBondContact O-CG 3.36Å; N124-P126 WeakPolarHBondContact O-CD 3.13Å; P126-V128 PolarHBondContact O-N 3.09Å; P126-R129 VanDerWaalsContact O-CB 3.29Å; P126-R129 WeakPolarHBondContact O-CB 3.42Å; P126-R129 WeakPolarHBondContact O-CG 3.46Å; P126-R129 PolarHBondContact O-N 3Å; P126-R129 VanDerWaalsContact O-N 3.09Å |
| 127 | A | 71.6 | Confident | 70.1 | Confident | 93 Ų | 93 | 102 Ų | 102 | 77% | 0.769 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -70.8 | -17.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N125 R129 | N125-A127 PolarHBondContact O-N 3.18Å; N125-A127 WeakPolarHBondContact OD1-CB 3.38Å; N125-A127 PolarHBondContact OD1-N 3.26Å; A127-R129 VanDerWaalsContact C-N 3.34Å |
| 128 | V | 64.2 | Low | 67.6 | Low | 106 Ų | 106 | 106.8 Ų | 106.8 | 64% | 0.642 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -104.4 | 33.8 | 171.1 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | N125 P126 E130 | N125-V128 HydrophobicContact CB-CB 4.27Å; N125-V128 HydrophobicContact CB-CG2 4.48Å; N125-V128 WeakPolarHBondContact ND2-CG2 3.25Å; N125-V128 CarbonylContact O-C 3.36Å; N125-V128 PolarHBondContact O-N 3.14Å; P126-V128 PolarHBondContact O-N 3.09Å; V128-E130 VanDerWaalsContact C-N 3.32Å; V128-E130 PolarHBondContact O-N 3.41Å |
| 129 | R | 57 | Low | 65.2 | Low | 208 Ų | 208 | 112.2 Ų | 112.2 | 79% | 0.785 | 61% | 0.607 | S | S | * | * | trans | -55.8 | 104.2 | 161.9 | -87.2 | -98.6 | 175.5 | 169.7 | -3.8 | 107.1 | P126 A127 R131 | P126-R129 VanDerWaalsContact O-CB 3.29Å; P126-R129 WeakPolarHBondContact O-CB 3.42Å; P126-R129 WeakPolarHBondContact O-CG 3.46Å; P126-R129 PolarHBondContact O-N 3Å; P126-R129 VanDerWaalsContact O-N 3.09Å; A127-R129 VanDerWaalsContact C-N 3.34Å; R129-R131 PolarHBondContact O-N 3.3Å | ||
| 130 | E | 53.7 | Low | 62.4 | Low | 167 Ų | 167 | 112.7 Ų | 112.7 | 78% | 0.78 | 63% | 0.626 | S | S | * | * | trans | 18.3 | 96.4 | 161.3 | -66.4 | 177.8 | 161.6 | 0 | 0 | 113.3 | V128 A132 | V128-E130 VanDerWaalsContact C-N 3.32Å; V128-E130 PolarHBondContact O-N 3.41Å; E130-A132 PolarHBondContact O-N 3.23Å | ||
| 131 | R | 47.1 | Very low | 60 | Low | 245 Ų | 245 | 119.8 Ų | 119.8 | 93% | 0.925 | 66% | 0.658 | S | S | * | * | trans | -54.2 | 98.1 | 133 | 179.1 | 178.1 | -67.1 | -175.9 | -1.4 | 103.1 | R129 A133 | R129-R131 PolarHBondContact O-N 3.3Å; R131-A133 PolarHBondContact O-N 3.39Å | ||
| 132 | A | 48.9 | Very low | 57.2 | Low | 73 Ų | 73 | 119.1 Ų | 119.1 | 60% | 0.603 | 67% | 0.674 | S | S | * | * | trans | -39.2 | 121.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | E130 S134 | E130-A132 PolarHBondContact O-N 3.23Å; A132-S134 VanDerWaalsContact C-N 3.29Å; A132-S134 PolarHBondContact O-N 3.2Å | ||
| 133 | A | 50.6 | Low | 54.9 | Low | 97 Ų | 97 | 124.4 Ų | 124.4 | 80% | 0.802 | 70% | 0.698 | S | S | * | * | trans | -48.8 | 109.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 104.8 | R131 | R131-A133 PolarHBondContact O-N 3.39Š| ||
| 134 | S | 48 | Very low | 52.8 | Low | 101 Ų | 101 | 123.7 Ų | 123.7 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | -48 | 131.3 | 175.1 | -172.7 | 0 | 0 | 0 | 0 | 105.4 | A132 S136 | A132-S134 VanDerWaalsContact C-N 3.29Å; A132-S134 PolarHBondContact O-N 3.2Å; S134-S136 PolarHBondContact O-N 2.78Å | ||
| 135 | P | 47.8 | Very low | 50.8 | Low | 117 Ų | 117 | 128.7 Ų | 128.7 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | trans | -52.4 | 114.4 | -176.2 | 21.5 | -31.6 | 0 | 0 | 0 | 107 | ||||
| 136 | S | 47.9 | Very low | 49 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 133.3 | 174.1 | 41 | 0 | 0 | 0 | 0 | 107.2 | S134 | S134-S136 PolarHBondContact O-N 2.78Š|
| 137 | P | 45.9 | Very low | 47.4 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 145.1 | 175.6 | -18.6 | 29.3 | 0 | 0 | 0 | 109.5 | H139 | P137-H139 PolarHBondContact O-N 3.39Š|
| 138 | P | 43.3 | Very low | 46 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 126.5 | -176.9 | 23 | -31.8 | 0 | 0 | 0 | 109.8 | S140 | P138-S140 PolarHBondContact O-N 2.75Š|
| 139 | H | 42.7 | Very low | 45.3 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -59.3 | 99.4 | 168 | -88.4 | -65.8 | 0 | 0 | 0 | 109 | P137 M141 | P137-H139 PolarHBondContact O-N 3.39Å; H139-M141 PolarHBondContact O-N 3.49Å | ||
| 140 | S | 35 | Very low | 44.8 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -76.7 | 102.5 | 155.8 | -175.4 | 0 | 0 | 0 | 0 | 107.1 | P138 | P138-S140 PolarHBondContact O-N 2.75Š| ||
| 141 | M | 41 | Very low | 44.3 | Very low | 171 Ų | 171 | 131.3 Ų | 131.3 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | trans | -97 | 122.2 | 165.5 | -72.9 | -75.6 | -66.4 | 0 | 0 | 106.9 | H139 | H139-M141 PolarHBondContact O-N 3.49Š| ||
| 142 | G | 34.7 | Very low | 44.7 | Very low | 60 Ų | 60 | 122.3 Ų | 122.3 | 62% | 0.619 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 148.2 | 95.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 114 | E144 | G142-E144 PolarHBondContact O-N 2.84Š|
| 143 | E | 41.4 | Very low | 44.9 | Very low | 202 Ų | 202 | 128.6 Ų | 128.6 | 94% | 0.944 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 45.5 | 60.8 | 141.8 | -61.5 | -170.1 | 147.1 | 0 | 0 | 119 | ||
| 144 | E | 44 | Very low | 45.1 | Very low | 170 Ų | 170 | 126.7 Ų | 126.7 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | -148.9 | 1.4 | 159.1 | -139.3 | -174.6 | 137.8 | 0 | 0 | 116.1 | G142 A146 | G142-E144 PolarHBondContact O-N 2.84Å; E144-A146 VanDerWaalsContact C-N 3.35Å; E144-A146 PolarHBondContact O-N 3.14Å | ||
| 145 | E | 45.1 | Very low | 45.9 | Very low | 177 Ų | 177 | 127.9 Ų | 127.9 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 17.1 | -178.8 | -80.7 | -173.7 | 149.8 | 0 | 0 | 114.4 | A147 | E145-A147 VanDerWaalsContact C-N 3.34Š|
| 146 | A | 44.2 | Very low | 47.1 | Very low | 100 Ų | 100 | 128 Ų | 128 | 83% | 0.826 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -18.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E144 | E144-A146 VanDerWaalsContact C-N 3.35Å; E144-A146 PolarHBondContact O-N 3.14Å |
| 147 | A | 40.8 | Very low | 48.5 | Very low | 82 Ų | 82 | 126.1 Ų | 126.1 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -91.5 | -18.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | E145 | E145-A147 VanDerWaalsContact C-N 3.34Š|
| 148 | D | 43.8 | Very low | 50.3 | Low | 95 Ų | 95 | 130.7 Ų | 130.7 | 51% | 0.508 | 72% | 0.724 | S | S | . | * | G | 310 helix | trans | -95.4 | 7.1 | -171 | -139.9 | 18.7 | 0 | 0 | 0 | 114.3 | L150 | D148-L150 PolarHBondContact O-N 3.12Å; D148-L150 VanDerWaalsContact O-N 3.08Å |
| 149 | M | 49.3 | Very low | 52.4 | Low | 174 Ų | 174 | 134.5 Ų | 134.5 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -70.3 | 3.5 | 170 | -63.6 | -158.2 | 74.5 | 0 | 0 | 113.4 | ||
| 150 | L | 46.7 | Very low | 54.7 | Low | 160 Ų | 160 | 129.9 Ų | 129.9 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -124.7 | 41.8 | -177.4 | -163.7 | 68.9 | 0 | 0 | 0 | 112.3 | D148 | D148-L150 PolarHBondContact O-N 3.12Å; D148-L150 VanDerWaalsContact O-N 3.08Å |
| 151 | N | 42.7 | Very low | 57.3 | Low | 120 Ų | 120 | 126.5 Ų | 126.5 | 64% | 0.642 | 68% | 0.679 | S | S | * | * | trans | -144.9 | 97.2 | 156.9 | -157.5 | 34.5 | 0 | 0 | 0 | 111.4 | ||||
| 152 | G | 55 | Low | 59.5 | Low | 56 Ų | 56 | 123.2 Ų | 123.2 | 58% | 0.577 | 67% | 0.67 | S | S | * | * | trans | -59.5 | 163 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 153 | K | 52.3 | Low | 62.1 | Low | 204 Ų | 204 | 122.6 Ų | 122.6 | 89% | 0.887 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 89 | 88.8 | 166.8 | -37.7 | -164.3 | -162.3 | -158.6 | 0 | 114.4 | ||
| 154 | G | 56.3 | Low | 64.4 | Low | 58 Ų | 58 | 117.2 Ų | 117.2 | 60% | 0.598 | 64% | 0.636 | S | S | * | * | trans | 101.4 | 22.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | N156 | G154-N156 PolarHBondContact O-N 3.49Š| ||
| 155 | Q | 65.1 | Low | 66.2 | Low | 126 Ų | 126 | 113.9 Ų | 113.9 | 59% | 0.589 | 63% | 0.632 | S | S | * | * | trans | -71.2 | 126.2 | 172.9 | -68.4 | -179.8 | 21 | 0 | 0 | 110.7 | V157 | Q155-V157 PolarHBondContact O-N 3.02Š| ||
| 156 | N | 71.9 | Confident | 67.9 | Low | 119 Ų | 119 | 107.9 Ų | 107.9 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | trans | -65 | 113.5 | 171.8 | -76 | -48.9 | 0 | 0 | 0 | 109.2 | G154 Y158 | G154-N156 PolarHBondContact O-N 3.49Å; N156-Y158 HydrophobicContact CB-CD2 4.4Å; N156-Y158 HydrophobicContact CB-CE1 4.28Å; N156-Y158 HydrophobicContact CB-CE2 3.67Å; N156-Y158 WeakPolarHBondContact O-CD2 3.08Å; N156-Y158 WeakPolarHBondContact O-CE2 3.28Å; N156-Y158 PolarHBondContact O-N 3.26Å | ||
| 157 | V | 78.2 | Confident | 69.7 | Low | 55 Ų | 55 | 105.5 Ų | 105.5 | 33% | 0.333 | 59% | 0.585 | S | S | . | * | trans | -79.9 | 100.4 | 179 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | Q155 R159 L160 I232 M236 | Q155-V157 PolarHBondContact O-N 3.02Å; V157-R159 WeakPolarHBondContact CG1-O 3.34Å; V157-L160 HydrophobicContact CG1-CD2 4.4Å; V157-I232 HydrophobicContact CB-CG2 4.33Å; V157-I232 HydrophobicContact CG1-CG2 3.96Å; V157-I232 HydrophobicContact CG2-CG2 3.73Å; V157-M236 HydrophobicContact CB-CE 4.03Å; V157-M236 HydrophobicContact CB-SD 3.97Å; V157-M236 HydrophobicContact CG2-CE 4.37Å; V157-M236 HydrophobicContact CG2-SD 4.06Å | ||
| 158 | Y | 83.9 | Confident | 71.7 | Confident | 205 Ų | 205 | 107.4 Ų | 107.4 | 80% | 0.804 | 58% | 0.583 | S | S | * | * | trans | -84.2 | -20.7 | 176.8 | -61.2 | -75.6 | 0 | 0 | 0 | 113.3 | N156 | N156-Y158 HydrophobicContact CB-CD2 4.4Å; N156-Y158 HydrophobicContact CB-CE1 4.28Å; N156-Y158 HydrophobicContact CB-CE2 3.67Å; N156-Y158 WeakPolarHBondContact O-CD2 3.08Å; N156-Y158 WeakPolarHBondContact O-CE2 3.28Å; N156-Y158 PolarHBondContact O-N 3.26Å | ||
| 159 | R | 87.1 | Confident | 73.4 | Confident | 206 Ų | 206 | 106.5 Ų | 106.5 | 78% | 0.777 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -149.2 | 139 | 179.2 | -168.8 | -177.9 | 179.8 | -156 | 0.9 | 111 | V157 | V157-R159 WeakPolarHBondContact CG1-O 3.34Š|
| 160 | L | 89.8 | Confident | 74.8 | Confident | 70 Ų | 70 | 104.9 Ų | 104.9 | 37% | 0.366 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -76.1 | 146.4 | 172 | -65.8 | 173.7 | 0 | 0 | 0 | 111 | V157 I232 L233 | V157-L160 HydrophobicContact CG1-CD2 4.4Å; L160-I232 HydrophobicContact CD2-CB 4.41Å; L160-I232 HydrophobicContact CD2-CG2 4.17Å; L160-L233 HydrophobicContact CD1-CD1 4.17Å; L160-L233 HydrophobicContact CD1-CD2 4.39Å; L160-L233 HydrophobicContact CD1-CG 4.38Å; L160-L233 HydrophobicContact CD2-CD2 4.18Å; L160-L233 HydrophobicContact CD2-CG 4.12Å |
| 161 | P | 89.1 | Confident | 76.4 | Confident | 47 Ų | 47 | 102 Ų | 102 | 31% | 0.305 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 144.8 | 173.6 | -24.9 | 32.9 | 0 | 0 | 0 | 111.8 | E228 S229 I232 | P161-E228 HydrophobicContact CB-CB 4.49Å; P161-E228 HydrophobicContact CG-CB 4.38Å; P161-S229 PolarHBondContact O-OG 3.07Å; P161-I232 HydrophobicContact CG-CD1 3.5Å |
| 162 | P | 88.2 | Confident | 78.1 | Confident | 101 Ų | 101 | 98.3 Ų | 98.3 | 66% | 0.656 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 146.3 | 173.6 | 28.1 | -33.5 | 0 | 0 | 0 | 110.4 | ||
| 163 | P | 89.9 | Confident | 79.4 | Confident | 48 Ų | 48 | 100.4 Ų | 100.4 | 31% | 0.312 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 153.3 | 176.8 | 27.3 | -33.5 | 0 | 0 | 0 | 111 | R225 Y226 | P163-R225 VanDerWaalsContact CA-O 3.23Å; P163-R225 WeakPolarHBondContact CA-O 3.49Å; P163-R225 HydrophobicContact CB-CB 4.16Å; P163-R225 WeakPolarHBondContact CB-O 3.3Å; P163-Y226 HydrophobicContact CB-CD1 3.84Å; P163-Y226 HydrophobicContact CB-CE1 3.61Å; P163-Y226 HydrophobicContact CB-CE2 4.36Å; P163-Y226 HydrophobicContact CB-CG 4.32Å; P163-Y226 HydrophobicContact CG-CD1 4.41Å; P163-Y226 HydrophobicContact CG-CE1 3.77Å |
| 164 | T | 88.2 | Confident | 80.7 | Confident | 89 Ų | 89 | 95.1 Ų | 95.1 | 55% | 0.546 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 144.5 | 169.8 | -42.2 | 0 | 0 | 0 | 0 | 110 | R225 | T164-R225 PolarHBondContact N-O 3.22Å; T164-R225 VanDerWaalsContact N-O 3.08Å; T164-R225 PolarHBondContact O-NE 3.42Å; T164-R225 PolarHBondContact O-NH2 3.33Å |
| 165 | S | 82.6 | Confident | 81.9 | Confident | 100 Ų | 100 | 94.1 Ų | 94.1 | 70% | 0.699 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 149.6 | -178.4 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 166 | C | 81.3 | Confident | 82.6 | Confident | 50 Ų | 50 | 92.6 Ų | 92.6 | 34% | 0.338 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 135.4 | 173.8 | -76.2 | 0 | 0 | 0 | 0 | 108.8 | P174 R225 | C166-P174 HydrophobicContact CB-CB 4.29Å; C166-R225 PolarHBondContact SG-NH1 3.49Å; C166-R225 PolarHBondContact SG-NH2 2.9Å |
| 167 | P | 81.2 | Confident | 83.1 | Confident | 51 Ų | 51 | 87.8 Ų | 87.8 | 33% | 0.331 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 144.1 | 168.8 | 25.9 | -29.7 | 0 | 0 | 0 | 109.2 | V175 L177 | P167-V175 HydrophobicContact CG-CB 4.39Å; P167-V175 WeakPolarHBondContact O-CB 3.06Å; P167-V175 WeakPolarHBondContact O-CG2 3.49Å; P167-V175 PolarHBondContact O-N 3.27Å; P167-L177 HydrophobicContact CG-CD1 3.79Å; P167-L177 HydrophobicContact CG-CD2 3.75Å; P167-L177 HydrophobicContact CG-CG 3.94Å |
| 168 | L | 83.5 | Confident | 83.2 | Confident | 121 Ų | 121 | 92.8 Ų | 92.8 | 63% | 0.634 | 51% | 0.514 | S | S | * | . | B | Isolated β-bridge | trans | -97.6 | 143 | 178.3 | -64.7 | 147.3 | 0 | 0 | 0 | 108.7 | G172 D173 | L168-G172 WeakPolarHBondContact CD2-O 3.21Å; L168-D173 WeakPolarHBondContact CA-O 3.4Å |
| 169 | N | 80.1 | Confident | 83.2 | Confident | 77 Ų | 77 | 87.5 Ų | 87.5 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 164.9 | 167.5 | -85.4 | -31.6 | 0 | 0 | 0 | 110.3 | S171 G172 D173 V175 | N169-S171 PolarHBondContact O-N 3.09Å; N169-G172 PolarHBondContact O-N 3.37Å; N169-D173 PolarHBondContact N-O 3.01Å; N169-V175 HydrophobicContact CB-CG2 4.12Å; N169-V175 WeakPolarHBondContact OD1-CG2 3.29Å |
| 170 | P | 78.2 | Confident | 82.9 | Confident | 139 Ų | 139 | 78.6 Ų | 78.6 | 90% | 0.903 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23.2 | 173.1 | 22.3 | -33.9 | 0 | 0 | 0 | 113.5 | G172 | P170-G172 VanDerWaalsContact C-N 3.3Š|
| 171 | S | 80.9 | Confident | 82.2 | Confident | 99 Ų | 99 | 80.4 Ų | 80.4 | 69% | 0.692 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -1.8 | 174.1 | -47.3 | 0 | 0 | 0 | 0 | 114.4 | N169 | N169-S171 PolarHBondContact O-N 3.09Š|
| 172 | G | 78.5 | Confident | 81.1 | Confident | 44 Ų | 44 | 83.7 Ų | 83.7 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | S | Bend | trans | 84.9 | 1.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L168 N169 P170 | L168-G172 WeakPolarHBondContact CD2-O 3.21Å; N169-G172 PolarHBondContact O-N 3.37Å; P170-G172 VanDerWaalsContact C-N 3.3Å |
| 173 | D | 80.6 | Confident | 79.9 | Confident | 100 Ų | 100 | 86 Ų | 86 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 141.3 | 178.9 | -64.6 | -44.8 | 0 | 0 | 0 | 112.3 | L168 N169 V175 | L168-D173 WeakPolarHBondContact CA-O 3.4Å; N169-D173 PolarHBondContact N-O 3.01Å; D173-V175 PolarHBondContact O-N 2.93Å |
| 174 | P | 79.6 | Confident | 78.4 | Confident | 92 Ų | 92 | 92.4 Ų | 92.4 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | B | Isolated β-bridge | trans | -65.9 | 127.2 | 177.1 | 25.5 | -32.5 | 0 | 0 | 0 | 111.5 | C166 | C166-P174 HydrophobicContact CB-CB 4.29Å |
| 175 | V | 81.8 | Confident | 76.9 | Confident | 37 Ų | 37 | 92.5 Ų | 92.5 | 22% | 0.224 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 126.1 | 179.9 | -172.4 | 0 | 0 | 0 | 0 | 110.6 | P167 N169 D173 L177 | P167-V175 HydrophobicContact CG-CB 4.39Å; P167-V175 WeakPolarHBondContact O-CB 3.06Å; P167-V175 WeakPolarHBondContact O-CG2 3.49Å; P167-V175 PolarHBondContact O-N 3.27Å; N169-V175 HydrophobicContact CB-CG2 4.12Å; N169-V175 WeakPolarHBondContact OD1-CG2 3.29Å; D173-V175 PolarHBondContact O-N 2.93Å; V175-L177 HydrophobicContact CG1-CD2 4.34Å; V175-L177 PolarHBondContact O-N 3.37Å; V175-L177 VanDerWaalsContact O-N 3.09Å |
| 176 | N | 80.8 | Confident | 75.2 | Confident | 94 Ų | 94 | 94.9 Ų | 94.9 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | trans | -75.2 | 99 | 170 | -171.7 | -15.6 | 0 | 0 | 0 | 110.4 | R178 I179 | N176-R178 VanDerWaalsContact C-N 3.25Å; N176-R178 PolarHBondContact O-N 3.49Å; N176-R178 WeakPolarHBondContact OD1-CB 3.47Å; N176-R178 PolarHBondContact OD1-N 2.9Å; N176-I179 VanDerWaalsContact O-O 3.1Å | ||
| 177 | L | 80.8 | Confident | 73.6 | Confident | 18 Ų | 18 | 99 Ų | 99 | 9% | 0.094 | 56% | 0.559 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -72.1 | -12.5 | 179.5 | -65.6 | 175.8 | 0 | 0 | 0 | 114.5 | P167 V175 I179 A218 K221 N222 R225 | P167-L177 HydrophobicContact CG-CD1 3.79Å; P167-L177 HydrophobicContact CG-CD2 3.75Å; P167-L177 HydrophobicContact CG-CG 3.94Å; V175-L177 HydrophobicContact CG1-CD2 4.34Å; V175-L177 PolarHBondContact O-N 3.37Å; V175-L177 VanDerWaalsContact O-N 3.09Å; L177-I179 VanDerWaalsContact C-N 3.31Å; L177-A218 CarbonylContact O-C 3.54Å; L177-A218 WeakPolarHBondContact O-CB 3.36Å; L177-K221 HydrophobicContact CD1-CG 4.33Å; L177-K221 HydrophobicContact CD2-CD 3.94Å; L177-K221 HydrophobicContact CD2-CG 4.26Å; L177-N222 HydrophobicContact CB-CB 3.96Å; L177-R225 HydrophobicContact CD1-CG 4.41Å |
| 178 | R | 80.5 | Confident | 71.9 | Confident | 161 Ų | 161 | 100.8 Ų | 100.8 | 61% | 0.608 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -24.2 | 178.9 | -69.5 | -175.5 | -179.1 | 148 | 0.2 | 112.8 | N176 | N176-R178 VanDerWaalsContact C-N 3.25Å; N176-R178 PolarHBondContact O-N 3.49Å; N176-R178 WeakPolarHBondContact OD1-CB 3.47Å; N176-R178 PolarHBondContact OD1-N 2.9Å |
| 179 | I | 84.1 | Confident | 69.9 | Low | 94 Ų | 94 | 103.6 Ų | 103.6 | 48% | 0.482 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -116.1 | 118.4 | -176.5 | -56.7 | 176.3 | 0 | 0 | 0 | 106.9 | N176 L177 S181 W215 | N176-I179 VanDerWaalsContact O-O 3.1Å; L177-I179 VanDerWaalsContact C-N 3.31Å; I179-S181 PolarHBondContact O-N 3.28Å; I179-W215 HydrophobicContact CG2-CH2 4.27Å |
| 180 | P | 81.8 | Confident | 68.5 | Low | 18 Ų | 18 | 105.4 Ų | 105.4 | 12% | 0.117 | 60% | 0.599 | C | S | . | * | trans | -57.3 | 141.1 | 174.5 | -19.5 | 29.4 | 0 | 0 | 0 | 110.5 | T182 K214 W215 A218 | P180-T182 PolarHBondContact O-N 2.86Å; P180-T182 VanDerWaalsContact O-N 3.07Å; P180-K214 HydrophobicContact CB-CB 4.16Å; P180-K214 HydrophobicContact CG-CB 4.42Å; P180-W215 HydrophobicContact CG-CB 4.24Å; P180-W215 HydrophobicContact CG-CD2 3.73Å; P180-W215 HydrophobicContact CG-CE3 4.18Å; P180-W215 HydrophobicContact CG-CG 3.75Å; P180-A218 HydrophobicContact CB-CB 4.28Å; P180-A218 HydrophobicContact CG-CB 3.76Å | ||
| 181 | S | 74.1 | Confident | 66.8 | Low | 109 Ų | 109 | 103.7 Ų | 103.7 | 76% | 0.762 | 59% | 0.586 | S | S | * | * | trans | -58.9 | 117.6 | 171 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | I179 E183 | I179-S181 PolarHBondContact O-N 3.28Å; S181-E183 PolarHBondContact O-N 3.48Å | ||
| 182 | T | 67.1 | Low | 65.1 | Low | 116 Ų | 116 | 106.6 Ų | 106.6 | 71% | 0.712 | 59% | 0.593 | S | S | * | * | trans | -81.2 | 102.1 | 176 | 56.8 | 0 | 0 | 0 | 0 | 107.9 | P180 K184 | P180-T182 PolarHBondContact O-N 2.86Å; P180-T182 VanDerWaalsContact O-N 3.07Å; T182-K184 PolarHBondContact O-N 2.91Å; T182-K184 VanDerWaalsContact O-N 3.1Å | ||
| 183 | E | 62.8 | Low | 63.7 | Low | 150 Ų | 150 | 109 Ų | 109 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 116.5 | 158.1 | -77.6 | 166.7 | 146 | 0 | 0 | 106.9 | S181 K214 | S181-E183 PolarHBondContact O-N 3.48Å; E183-K214 IonicContact OE2-NZ 3.02Å; E183-K214 PolarHBondContact OE2-NZ 3.31Å |
| 184 | K | 58.4 | Low | 62.3 | Low | 182 Ų | 182 | 109.3 Ų | 109.3 | 79% | 0.791 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 130.8 | 171.4 | -66.5 | -177.7 | -179.3 | -179.9 | 0 | 106.5 | T182 I186 | T182-K184 PolarHBondContact O-N 2.91Å; T182-K184 VanDerWaalsContact O-N 3.1Å; K184-I186 PolarHBondContact O-N 3.03Å |
| 185 | P | 56.5 | Low | 61.1 | Low | 90 Ų | 90 | 110.5 Ų | 110.5 | 58% | 0.584 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 119.1 | 177.2 | 22.8 | -30.5 | 0 | 0 | 0 | 107.5 | V187 | P185-V187 VanDerWaalsContact C-N 3.32Å; P185-V187 PolarHBondContact O-N 2.92Å |
| 186 | I | 47.3 | Very low | 60 | Low | 150 Ų | 150 | 114 Ų | 114 | 77% | 0.769 | 64% | 0.638 | S | S | * | * | trans | -60.4 | 105.4 | 167.4 | -63 | 167.9 | 0 | 0 | 0 | 103.9 | K184 S188 | K184-I186 PolarHBondContact O-N 3.03Å; I186-S188 PolarHBondContact O-N 3.22Å | ||
| 187 | V | 46.9 | Very low | 59.1 | Low | 136 Ų | 136 | 114 Ų | 114 | 82% | 0.824 | 65% | 0.645 | S | S | * | * | trans | -71.5 | 69.2 | 170.3 | -177.8 | 0 | 0 | 0 | 0 | 106.1 | P185 K189 | P185-V187 VanDerWaalsContact C-N 3.32Å; P185-V187 PolarHBondContact O-N 2.92Å; V187-K189 PolarHBondContact O-N 3.5Å; V187-K189 VanDerWaalsContact O-N 3.15Å | ||
| 188 | S | 45.8 | Very low | 58.7 | Low | 90 Ų | 90 | 115 Ų | 115 | 63% | 0.629 | 66% | 0.66 | S | S | * | * | trans | -81 | 94.2 | 170 | 53.5 | 0 | 0 | 0 | 0 | 107.1 | I186 | I186-S188 PolarHBondContact O-N 3.22Š| ||
| 189 | K | 42.2 | Very low | 58.7 | Low | 180 Ų | 180 | 110.6 Ų | 110.6 | 78% | 0.783 | 65% | 0.652 | S | S | * | * | trans | 62.3 | 117.3 | 151.9 | -60.6 | -179.2 | 178.9 | -180 | 0 | 116.6 | V187 T191 | V187-K189 PolarHBondContact O-N 3.5Å; V187-K189 VanDerWaalsContact O-N 3.15Å; K189-T191 PolarHBondContact O-N 2.94Å; K189-T191 VanDerWaalsContact O-N 3.11Å | ||
| 190 | S | 49.2 | Very low | 58.7 | Low | 115 Ų | 115 | 110.7 Ų | 110.7 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | trans | -28.4 | 107.7 | 149.2 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 191 | T | 43.4 | Very low | 59 | Low | 103 Ų | 103 | 114.4 Ų | 114.4 | 63% | 0.632 | 67% | 0.671 | S | S | * | * | trans | -98.8 | 85.5 | 154.6 | -52.7 | 0 | 0 | 0 | 0 | 105.7 | K189 T193 L195 | K189-T191 PolarHBondContact O-N 2.94Å; K189-T191 VanDerWaalsContact O-N 3.11Å; T191-T193 VanDerWaalsContact CG2-OG1 3.25Å; T191-T193 WeakPolarHBondContact CG2-OG1 3.11Å; T191-T193 PolarHBondContact O-N 3.25Å; T191-L195 HydrophobicContact CG2-CD1 4.3Å | ||
| 192 | D | 45 | Very low | 59.7 | Low | 160 Ų | 160 | 116.1 Ų | 116.1 | 86% | 0.856 | 66% | 0.662 | S | S | * | * | trans | -64.3 | 80.2 | 161 | -166.4 | 14.2 | 0 | 0 | 0 | 107.1 | ||||
| 193 | T | 49.7 | Very low | 60.7 | Low | 94 Ų | 94 | 115.6 Ų | 115.6 | 58% | 0.577 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -155.9 | 120.4 | 168.5 | -28.2 | 0 | 0 | 0 | 0 | 104.6 | T191 L195 | T191-T193 VanDerWaalsContact CG2-OG1 3.25Å; T191-T193 WeakPolarHBondContact CG2-OG1 3.11Å; T191-T193 PolarHBondContact O-N 3.25Å; T193-L195 PolarHBondContact O-N 2.85Å |
| 194 | A | 51.1 | Low | 62 | Low | 107 Ų | 107 | 111.9 Ų | 111.9 | 88% | 0.884 | 64% | 0.637 | S | S | * | * | trans | -59.8 | 76.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V196 | A194-V196 PolarHBondContact O-N 3.37Š| ||
| 195 | L | 53.4 | Low | 63.6 | Low | 117 Ų | 117 | 106.8 Ų | 106.8 | 61% | 0.613 | 62% | 0.618 | S | S | * | * | trans | -76.8 | 109.3 | 175.2 | -89 | 156.7 | 0 | 0 | 0 | 106 | T191 T193 S197 | T191-L195 HydrophobicContact CG2-CD1 4.3Å; T193-L195 PolarHBondContact O-N 2.85Å; L195-S197 PolarHBondContact O-N 3.07Å | ||
| 196 | V | 59 | Low | 65.3 | Low | 111 Ų | 111 | 105 Ų | 105 | 67% | 0.673 | 60% | 0.601 | S | S | * | * | trans | -21.1 | 130 | 165.7 | 176 | 0 | 0 | 0 | 0 | 111.4 | A194 G198 P199 | A194-V196 PolarHBondContact O-N 3.37Å; V196-G198 PolarHBondContact O-N 2.91Å; V196-P199 WeakPolarHBondContact O-CD 3.46Å | ||
| 197 | S | 62.1 | Low | 67.4 | Low | 94 Ų | 94 | 104.1 Ų | 104.1 | 66% | 0.657 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -51.9 | -25.7 | -175.1 | -177 | 0 | 0 | 0 | 0 | 114.6 | L195 L200 I201 | L195-S197 PolarHBondContact O-N 3.07Å; S197-L200 PolarHBondContact O-N 3Å; S197-I201 PolarHBondContact O-N 2.84Å; S197-I201 VanDerWaalsContact O-N 3.09Å |
| 198 | G | 72 | Confident | 69.6 | Low | 39 Ų | 39 | 104.2 Ų | 104.2 | 40% | 0.402 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -58.6 | -56.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | V196 L200 I201 Y202 | V196-G198 PolarHBondContact O-N 2.91Å; G198-L200 VanDerWaalsContact C-N 3.29Å; G198-L200 PolarHBondContact O-N 3.48Å; G198-I201 WeakPolarHBondContact O-CG2 3.4Å; G198-I201 PolarHBondContact O-N 2.86Å; G198-Y202 PolarHBondContact O-N 3.32Å |
| 199 | P | 80.4 | Confident | 71.9 | Confident | 67 Ų | 67 | 104.7 Ų | 104.7 | 44% | 0.435 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -58.2 | -35.2 | 173.5 | -31.2 | 31 | 0 | 0 | 0 | 114.8 | V196 N203 | V196-P199 WeakPolarHBondContact O-CD 3.46Å; P199-N203 PolarHBondContact O-N 3.33Å; P199-N203 PolarHBondContact O-ND2 2.94Å |
| 200 | L | 83.9 | Confident | 74.4 | Confident | 97 Ų | 97 | 102.9 Ų | 102.9 | 51% | 0.508 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.1 | -45.1 | -178.6 | -174.8 | 62.2 | 0 | 0 | 0 | 111.3 | S197 G198 Y202 N203 H204 | S197-L200 PolarHBondContact O-N 3Å; G198-L200 VanDerWaalsContact C-N 3.29Å; G198-L200 PolarHBondContact O-N 3.48Å; L200-Y202 VanDerWaalsContact C-N 3.32Å; L200-Y202 PolarHBondContact O-N 3.33Å; L200-N203 PolarHBondContact O-N 3.03Å; L200-H204 WeakPolarHBondContact CD1-NE2 3.48Å; L200-H204 PolarHBondContact O-CD2 3.47Å; L200-H204 PolarHBondContact O-N 3.44Å |
| 201 | I | 87.7 | Confident | 76.4 | Confident | 96 Ų | 96 | 99.6 Ų | 99.6 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 179.1 | -172.4 | 63 | 0 | 0 | 0 | 111.9 | S197 G198 H204 I205 | S197-I201 PolarHBondContact O-N 2.84Å; S197-I201 VanDerWaalsContact O-N 3.09Å; G198-I201 WeakPolarHBondContact O-CG2 3.4Å; G198-I201 PolarHBondContact O-N 2.86Å; I201-H204 PolarHBondContact O-N 3.11Å; I201-I205 HydrophobicContact CG1-CD1 4.01Å; I201-I205 HydrophobicContact CG1-CG1 4.47Å; I201-I205 VanDerWaalsContact O-CG1 3.28Å; I201-I205 WeakPolarHBondContact O-CG1 3.05Å; I201-I205 PolarHBondContact O-N 3.4Å |
| 202 | Y | 89 | Confident | 78.8 | Confident | 145 Ų | 145 | 101.9 Ų | 101.9 | 57% | 0.569 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.8 | -44.9 | 176.2 | -175.6 | -95.4 | 0 | 0 | 0 | 111.7 | G198 L200 H204 I205 E206 | G198-Y202 PolarHBondContact O-N 3.32Å; L200-Y202 VanDerWaalsContact C-N 3.32Å; L200-Y202 PolarHBondContact O-N 3.33Å; Y202-H204 VanDerWaalsContact C-N 3.33Å; Y202-H204 PolarHBondContact O-N 2.92Å; Y202-I205 PolarHBondContact O-N 3.33Å; Y202-E206 HydrophobicContact CD1-CG 4.11Å; Y202-E206 HydrophobicContact CE1-CG 3.65Å; Y202-E206 HydrophobicContact CE2-CG 4.42Å; Y202-E206 PolarHBondContact O-N 3.35Å |
| 203 | N | 88.4 | Confident | 81.2 | Confident | 104 Ų | 104 | 98.5 Ų | 98.5 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.1 | -41.8 | 175.8 | -80.2 | -65.4 | 0 | 0 | 0 | 112.4 | P199 L200 R207 | P199-N203 PolarHBondContact O-N 3.33Å; P199-N203 PolarHBondContact O-ND2 2.94Å; L200-N203 PolarHBondContact O-N 3.03Å; N203-R207 VanDerWaalsContact O-CB 3.3Å; N203-R207 WeakPolarHBondContact O-CB 3.39Å; N203-R207 PolarHBondContact O-N 2.73Å |
| 204 | H | 89.4 | Confident | 83.2 | Confident | 73 Ų | 73 | 98.3 Ų | 98.3 | 34% | 0.338 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 175.1 | -77.1 | -70.5 | 0 | 0 | 0 | 112.3 | L200 I201 Y202 E206 R207 W208 | L200-H204 WeakPolarHBondContact CD1-NE2 3.48Å; L200-H204 PolarHBondContact O-CD2 3.47Å; L200-H204 PolarHBondContact O-N 3.44Å; I201-H204 PolarHBondContact O-N 3.11Å; Y202-H204 VanDerWaalsContact C-N 3.33Å; Y202-H204 PolarHBondContact O-N 2.92Å; H204-E206 PolarHBondContact O-N 3.27Å; H204-R207 PolarHBondContact O-N 3.29Å; H204-W208 WeakPolarHBondContact O-CB 3.47Å; H204-W208 PolarHBondContact O-N 2.76Å |
| 205 | I | 92.5 | Very high | 85.2 | Confident | 75 Ų | 75 | 99.5 Ų | 99.5 | 39% | 0.385 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.1 | -49 | 177 | -72 | 166.7 | 0 | 0 | 0 | 110.4 | I201 Y202 R207 W208 K209 | I201-I205 HydrophobicContact CG1-CD1 4.01Å; I201-I205 HydrophobicContact CG1-CG1 4.47Å; I201-I205 VanDerWaalsContact O-CG1 3.28Å; I201-I205 WeakPolarHBondContact O-CG1 3.05Å; I201-I205 PolarHBondContact O-N 3.4Å; Y202-I205 PolarHBondContact O-N 3.33Å; I205-R207 VanDerWaalsContact C-N 3.35Å; I205-R207 PolarHBondContact O-N 3.09Å; I205-W208 PolarHBondContact O-N 2.8Å; I205-K209 HydrophobicContact CG2-CD 4.32Å; I205-K209 WeakPolarHBondContact O-CG 3.5Å; I205-K209 PolarHBondContact O-N 2.93Å |
| 206 | E | 91.9 | Very high | 87.1 | Confident | 51 Ų | 51 | 101 Ų | 101 | 24% | 0.238 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 178.3 | -72.7 | -54.2 | 125.8 | 0 | 0 | 111.9 | Y202 H204 W208 K209 K210 | Y202-E206 HydrophobicContact CD1-CG 4.11Å; Y202-E206 HydrophobicContact CE1-CG 3.65Å; Y202-E206 HydrophobicContact CE2-CG 4.42Å; Y202-E206 PolarHBondContact O-N 3.35Å; H204-E206 PolarHBondContact O-N 3.27Å; E206-W208 PolarHBondContact O-N 3.48Å; E206-K209 PolarHBondContact O-N 2.89Å; E206-K209 IonicContact OE1-NZ 2.73Å; E206-K209 PolarHBondContact OE1-NZ 3.37Å; E206-K210 WeakPolarHBondContact O-CG 3.46Å; E206-K210 PolarHBondContact O-N 2.92Å |
| 207 | R | 91.6 | Very high | 88.7 | Confident | 132 Ų | 132 | 100.7 Ų | 100.7 | 50% | 0.498 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 174 | -178 | 179.2 | 174.3 | -157.3 | -3.2 | 111.6 | N203 H204 I205 K209 K210 I211 | N203-R207 VanDerWaalsContact O-CB 3.3Å; N203-R207 WeakPolarHBondContact O-CB 3.39Å; N203-R207 PolarHBondContact O-N 2.73Å; H204-R207 PolarHBondContact O-N 3.29Å; I205-R207 VanDerWaalsContact C-N 3.35Å; I205-R207 PolarHBondContact O-N 3.09Å; R207-K209 PolarHBondContact O-N 3.34Å; R207-K210 WeakPolarHBondContact O-CB 3.36Å; R207-K210 PolarHBondContact O-N 3.08Å; R207-I211 HydrophobicContact CG-CD1 3.94Å; R207-I211 WeakPolarHBondContact O-CG1 3.33Å; R207-I211 PolarHBondContact O-N 3.02Å |
| 208 | W | 93.4 | Very high | 90.1 | Very high | 138 Ų | 138 | 97 Ų | 97 | 52% | 0.523 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.3 | -34.7 | 180 | -80.5 | 116.8 | 0 | 0 | 0 | 112.9 | H204 I205 E206 I211 R212 | H204-W208 WeakPolarHBondContact O-CB 3.47Å; H204-W208 PolarHBondContact O-N 2.76Å; I205-W208 PolarHBondContact O-N 2.8Å; E206-W208 PolarHBondContact O-N 3.48Å; W208-I211 HydrophobicContact CD2-CD1 4.37Å; W208-I211 HydrophobicContact CE3-CB 4.27Å; W208-I211 HydrophobicContact CE3-CD1 3.94Å; W208-I211 HydrophobicContact CE3-CG2 4.2Å; W208-I211 HydrophobicContact CZ3-CD1 4.17Å; W208-I211 HydrophobicContact CZ3-CG2 4.22Å; W208-I211 PolarHBondContact O-N 3.02Å; W208-R212 WeakPolarHBondContact O-CB 3.45Å; W208-R212 WeakPolarHBondContact O-CG 3.34Å; W208-R212 PolarHBondContact O-N 3.26Å |
| 209 | K | 95.2 | Very high | 91 | Very high | 101 Ų | 101 | 97.9 Ų | 97.9 | 44% | 0.439 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 169.7 | -74.4 | 174.9 | -176 | 170 | 0 | 110.8 | I205 E206 R207 I211 R212 Q213 | I205-K209 HydrophobicContact CG2-CD 4.32Å; I205-K209 WeakPolarHBondContact O-CG 3.5Å; I205-K209 PolarHBondContact O-N 2.93Å; E206-K209 PolarHBondContact O-N 2.89Å; E206-K209 IonicContact OE1-NZ 2.73Å; E206-K209 PolarHBondContact OE1-NZ 3.37Å; R207-K209 PolarHBondContact O-N 3.34Å; K209-I211 PolarHBondContact O-N 3.34Å; K209-R212 PolarHBondContact O-N 2.91Å; K209-Q213 WeakPolarHBondContact O-CB 3.38Å; K209-Q213 PolarHBondContact O-N 2.97Å |
| 210 | K | 93.5 | Very high | 91.6 | Very high | 141 Ų | 141 | 98.9 Ų | 98.9 | 61% | 0.613 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61 | -43.4 | 177.3 | -69.5 | 177.1 | -175.7 | -179.8 | 0 | 112.2 | E206 R207 Q213 K214 | E206-K210 WeakPolarHBondContact O-CG 3.46Å; E206-K210 PolarHBondContact O-N 2.92Å; R207-K210 WeakPolarHBondContact O-CB 3.36Å; R207-K210 PolarHBondContact O-N 3.08Å; K210-Q213 PolarHBondContact O-N 3.47Å; K210-K214 WeakPolarHBondContact O-CG 3.44Å; K210-K214 PolarHBondContact O-N 3.1Å |
| 211 | I | 91.9 | Very high | 91.9 | Very high | 47 Ų | 47 | 100.2 Ų | 100.2 | 24% | 0.241 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -59.9 | -53.8 | 176.8 | -69.7 | 167.2 | 0 | 0 | 0 | 110 | R207 W208 K209 Q213 K214 W215 | R207-I211 HydrophobicContact CG-CD1 3.94Å; R207-I211 WeakPolarHBondContact O-CG1 3.33Å; R207-I211 PolarHBondContact O-N 3.02Å; W208-I211 HydrophobicContact CD2-CD1 4.37Å; W208-I211 HydrophobicContact CE3-CB 4.27Å; W208-I211 HydrophobicContact CE3-CD1 3.94Å; W208-I211 HydrophobicContact CE3-CG2 4.2Å; W208-I211 HydrophobicContact CZ3-CD1 4.17Å; W208-I211 HydrophobicContact CZ3-CG2 4.22Å; W208-I211 PolarHBondContact O-N 3.02Å; K209-I211 PolarHBondContact O-N 3.34Å; I211-Q213 PolarHBondContact O-N 2.85Å; I211-K214 WeakPolarHBondContact O-CB 3.41Å; I211-K214 PolarHBondContact O-N 2.8Å; I211-K214 VanDerWaalsContact O-N 3.11Å; I211-W215 VanDerWaalsContact O-CD1 3.23Å; I211-W215 PolarHBondContact O-N 2.76Å |
| 212 | R | 93.7 | Very high | 92.1 | Very high | 150 Ų | 150 | 96.7 Ų | 96.7 | 57% | 0.566 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -56.9 | -40 | 178.4 | -73.9 | -171.2 | -65.9 | -104.8 | 1.6 | 112.2 | W208 K209 W215 K216 | W208-R212 WeakPolarHBondContact O-CB 3.45Å; W208-R212 WeakPolarHBondContact O-CG 3.34Å; W208-R212 PolarHBondContact O-N 3.26Å; K209-R212 PolarHBondContact O-N 2.91Å; R212-W215 PolarHBondContact O-N 2.78Å; R212-K216 PolarHBondContact O-N 3.13Å |
| 213 | Q | 94.2 | Very high | 92.2 | Very high | 89 Ų | 89 | 95 Ų | 95 | 42% | 0.416 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 176.4 | -176.5 | 60.7 | 21.6 | 0 | 0 | 111.7 | K209 K210 I211 W215 K216 E217 | K209-Q213 WeakPolarHBondContact O-CB 3.38Å; K209-Q213 PolarHBondContact O-N 2.97Å; K210-Q213 PolarHBondContact O-N 3.47Å; I211-Q213 PolarHBondContact O-N 2.85Å; Q213-W215 VanDerWaalsContact C-N 3.29Å; Q213-W215 PolarHBondContact O-N 3.4Å; Q213-K216 WeakPolarHBondContact O-CB 3.33Å; Q213-K216 PolarHBondContact O-N 3.49Å; Q213-K216 VanDerWaalsContact O-N 3.1Å; Q213-E217 WeakPolarHBondContact CG-OE1 3.43Å; Q213-E217 PolarHBondContact NE2-OE1 2.93Å; Q213-E217 WeakPolarHBondContact O-CG 3.46Å; Q213-E217 PolarHBondContact O-N 3.3Å |
| 214 | K | 92.6 | Very high | 92.4 | Very high | 91 Ų | 91 | 95.6 Ų | 95.6 | 40% | 0.396 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.1 | -41.4 | 174.4 | -74.7 | -173.8 | 175.1 | -171.8 | 0 | 111.9 | P180 E183 K210 I211 E217 A218 | P180-K214 HydrophobicContact CB-CB 4.16Å; P180-K214 HydrophobicContact CG-CB 4.42Å; E183-K214 IonicContact OE2-NZ 3.02Å; E183-K214 PolarHBondContact OE2-NZ 3.31Å; K210-K214 WeakPolarHBondContact O-CG 3.44Å; K210-K214 PolarHBondContact O-N 3.1Å; I211-K214 WeakPolarHBondContact O-CB 3.41Å; I211-K214 PolarHBondContact O-N 2.8Å; I211-K214 VanDerWaalsContact O-N 3.11Å; K214-E217 PolarHBondContact O-N 3.33Å; K214-A218 WeakPolarHBondContact O-CB 3.39Å; K214-A218 PolarHBondContact O-N 3.41Å |
| 215 | W | 92.9 | Very high | 92.6 | Very high | 132 Ų | 132 | 94 Ų | 94 | 50% | 0.5 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.6 | -81.7 | 94.2 | 0 | 0 | 0 | 112.7 | I179 P180 I211 R212 Q213 S219 | I179-W215 HydrophobicContact CG2-CH2 4.27Å; P180-W215 HydrophobicContact CG-CB 4.24Å; P180-W215 HydrophobicContact CG-CD2 3.73Å; P180-W215 HydrophobicContact CG-CE3 4.18Å; P180-W215 HydrophobicContact CG-CG 3.75Å; I211-W215 VanDerWaalsContact O-CD1 3.23Å; I211-W215 PolarHBondContact O-N 2.76Å; R212-W215 PolarHBondContact O-N 2.78Å; Q213-W215 VanDerWaalsContact C-N 3.29Å; Q213-W215 PolarHBondContact O-N 3.4Å; W215-S219 WeakPolarHBondContact O-CB 3.41Å; W215-S219 PolarHBondContact O-N 3.03Å |
| 216 | K | 93.6 | Very high | 92.7 | Very high | 149 Ų | 149 | 94.3 Ų | 94.3 | 65% | 0.648 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.3 | -44.1 | 176.8 | -172.6 | 178.6 | 179.8 | -179 | 0 | 111.6 | R212 Q213 N220 | R212-K216 PolarHBondContact O-N 3.13Å; Q213-K216 WeakPolarHBondContact O-CB 3.33Å; Q213-K216 PolarHBondContact O-N 3.49Å; Q213-K216 VanDerWaalsContact O-N 3.1Å; K216-N220 WeakPolarHBondContact O-CB 3.35Å; K216-N220 PolarHBondContact O-N 3.18Å |
| 217 | E | 92.8 | Very high | 92.8 | Very high | 104 Ų | 104 | 94.3 Ų | 94.3 | 49% | 0.486 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66 | -45.6 | 178.9 | -72.7 | 169.2 | -172.5 | 0 | 0 | 112.4 | Q213 K214 S219 N220 K221 | Q213-E217 WeakPolarHBondContact CG-OE1 3.43Å; Q213-E217 PolarHBondContact NE2-OE1 2.93Å; Q213-E217 WeakPolarHBondContact O-CG 3.46Å; Q213-E217 PolarHBondContact O-N 3.3Å; K214-E217 PolarHBondContact O-N 3.33Å; E217-S219 VanDerWaalsContact C-N 3.34Å; E217-S219 PolarHBondContact O-N 3.34Å; E217-N220 PolarHBondContact O-N 3.08Å; E217-K221 WeakPolarHBondContact O-CB 3.45Å; E217-K221 PolarHBondContact O-N 3.23Å |
| 218 | A | 90.9 | Very high | 92.8 | Very high | 16 Ų | 16 | 92.9 Ų | 92.9 | 13% | 0.132 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L177 P180 K214 N220 K221 N222 | L177-A218 CarbonylContact O-C 3.54Å; L177-A218 WeakPolarHBondContact O-CB 3.36Å; P180-A218 HydrophobicContact CB-CB 4.28Å; P180-A218 HydrophobicContact CG-CB 3.76Å; K214-A218 WeakPolarHBondContact O-CB 3.39Å; K214-A218 PolarHBondContact O-N 3.41Å; A218-N220 PolarHBondContact O-N 2.85Å; A218-K221 PolarHBondContact O-N 2.88Å; A218-N222 PolarHBondContact O-N 3.15Å |
| 219 | S | 91.6 | Very high | 92.8 | Very high | 57 Ų | 57 | 86.7 Ų | 86.7 | 40% | 0.399 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 174.7 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | W215 E217 N222 Q223 | W215-S219 WeakPolarHBondContact O-CB 3.41Å; W215-S219 PolarHBondContact O-N 3.03Å; E217-S219 VanDerWaalsContact C-N 3.34Å; E217-S219 PolarHBondContact O-N 3.34Å; S219-N222 PolarHBondContact O-N 3.17Å; S219-Q223 WeakPolarHBondContact O-CG 3.49Å; S219-Q223 PolarHBondContact O-N 3.49Å |
| 220 | N | 92.3 | Very high | 92.7 | Very high | 89 Ų | 89 | 85 Ų | 85 | 48% | 0.476 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 177.2 | -174.6 | -56.6 | 0 | 0 | 0 | 111.4 | K216 E217 A218 N222 Q223 L224 | K216-N220 WeakPolarHBondContact O-CB 3.35Å; K216-N220 PolarHBondContact O-N 3.18Å; E217-N220 PolarHBondContact O-N 3.08Å; A218-N220 PolarHBondContact O-N 2.85Å; N220-N222 VanDerWaalsContact C-N 3.26Å; N220-N222 PolarHBondContact O-N 2.91Å; N220-Q223 WeakPolarHBondContact O-CB 3.37Å; N220-Q223 PolarHBondContact O-N 3.11Å; N220-L224 PolarHBondContact O-N 3.37Å |
| 221 | K | 91.1 | Very high | 92.7 | Very high | 124 Ų | 124 | 84.6 Ų | 84.6 | 54% | 0.539 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 176.7 | -173.9 | 171 | 178.7 | 171.7 | 0 | 112 | L177 E217 A218 | L177-K221 HydrophobicContact CD1-CG 4.33Å; L177-K221 HydrophobicContact CD2-CD 3.94Å; L177-K221 HydrophobicContact CD2-CG 4.26Å; E217-K221 WeakPolarHBondContact O-CB 3.45Å; E217-K221 PolarHBondContact O-N 3.23Å; A218-K221 PolarHBondContact O-N 2.88Å |
| 222 | N | 92 | Very high | 92.7 | Very high | 22 Ų | 22 | 84.3 Ų | 84.3 | 12% | 0.118 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 173.4 | -179.2 | 75.7 | 0 | 0 | 0 | 112.3 | L177 A218 S219 N220 L224 R225 Y226 | L177-N222 HydrophobicContact CB-CB 3.96Å; A218-N222 PolarHBondContact O-N 3.15Å; S219-N222 PolarHBondContact O-N 3.17Å; N220-N222 VanDerWaalsContact C-N 3.26Å; N220-N222 PolarHBondContact O-N 2.91Å; N222-L224 VanDerWaalsContact C-N 3.32Å; N222-L224 PolarHBondContact O-N 3.47Å; N222-R225 WeakPolarHBondContact O-CB 3.16Å; N222-R225 PolarHBondContact O-N 3.3Å; N222-Y226 WeakPolarHBondContact O-CD2 3.23Å |
| 223 | Q | 91.8 | Very high | 92.6 | Very high | 109 Ų | 109 | 81.5 Ų | 81.5 | 51% | 0.509 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 176.5 | -75 | -177.2 | -6.9 | 0 | 0 | 112.4 | S219 N220 R225 Y226 | S219-Q223 WeakPolarHBondContact O-CG 3.49Å; S219-Q223 PolarHBondContact O-N 3.49Å; N220-Q223 WeakPolarHBondContact O-CB 3.37Å; N220-Q223 PolarHBondContact O-N 3.11Å; Q223-R225 PolarHBondContact O-N 3.18Å; Q223-R225 VanDerWaalsContact O-N 3.13Å; Q223-Y226 WeakPolarHBondContact O-CB 3.26Å; Q223-Y226 PolarHBondContact O-N 2.94Å |
| 224 | L | 92.6 | Very high | 92.4 | Very high | 117 Ų | 117 | 83.6 Ų | 83.6 | 61% | 0.613 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -58.9 | -27.2 | -179.6 | -139.5 | 77 | 0 | 0 | 0 | 112.8 | N220 N222 Y226 S227 | N220-L224 PolarHBondContact O-N 3.37Å; N222-L224 VanDerWaalsContact C-N 3.32Å; N222-L224 PolarHBondContact O-N 3.47Å; L224-Y226 PolarHBondContact O-N 3.19Å; L224-Y226 VanDerWaalsContact O-N 3.17Å; L224-S227 WeakPolarHBondContact O-CB 3.5Å; L224-S227 PolarHBondContact O-N 3.33Å; L224-S227 VanDerWaalsContact O-N 3.11Å; L224-S227 PolarHBondContact O-OG 2.87Å |
| 225 | R | 93.4 | Very high | 92.3 | Very high | 41 Ų | 41 | 83.9 Ų | 83.9 | 16% | 0.155 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.2 | 174.3 | -65.4 | 178.2 | 57.5 | -163.1 | 4 | 113.8 | P163 T164 C166 L177 N222 Q223 | P163-R225 VanDerWaalsContact CA-O 3.23Å; P163-R225 WeakPolarHBondContact CA-O 3.49Å; P163-R225 HydrophobicContact CB-CB 4.16Å; P163-R225 WeakPolarHBondContact CB-O 3.3Å; T164-R225 PolarHBondContact N-O 3.22Å; T164-R225 VanDerWaalsContact N-O 3.08Å; T164-R225 PolarHBondContact O-NE 3.42Å; T164-R225 PolarHBondContact O-NH2 3.33Å; C166-R225 PolarHBondContact SG-NH1 3.49Å; C166-R225 PolarHBondContact SG-NH2 2.9Å; L177-R225 HydrophobicContact CD1-CG 4.41Å; N222-R225 WeakPolarHBondContact O-CB 3.16Å; N222-R225 PolarHBondContact O-N 3.3Å; Q223-R225 PolarHBondContact O-N 3.18Å; Q223-R225 VanDerWaalsContact O-N 3.13Å |
| 226 | Y | 93.9 | Very high | 92.1 | Very high | 80 Ų | 80 | 81.8 Ų | 81.8 | 31% | 0.314 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 19.8 | 179.5 | -58.8 | -90.5 | 0 | 0 | 0 | 111.5 | P163 N222 Q223 L224 E228 S229 I230 | P163-Y226 HydrophobicContact CB-CD1 3.84Å; P163-Y226 HydrophobicContact CB-CE1 3.61Å; P163-Y226 HydrophobicContact CB-CE2 4.36Å; P163-Y226 HydrophobicContact CB-CG 4.32Å; P163-Y226 HydrophobicContact CG-CD1 4.41Å; P163-Y226 HydrophobicContact CG-CE1 3.77Å; N222-Y226 WeakPolarHBondContact O-CD2 3.23Å; Q223-Y226 WeakPolarHBondContact O-CB 3.26Å; Q223-Y226 PolarHBondContact O-N 2.94Å; L224-Y226 PolarHBondContact O-N 3.19Å; L224-Y226 VanDerWaalsContact O-N 3.17Å; Y226-E228 VanDerWaalsContact C-N 3.32Å; Y226-E228 PolarHBondContact O-N 3.46Å; Y226-S229 PolarHBondContact O-N 3.04Å; Y226-I230 WeakPolarHBondContact O-CB 3.49Å; Y226-I230 VanDerWaalsContact O-CG1 3.26Å; Y226-I230 WeakPolarHBondContact O-CG1 3.44Å; Y226-I230 PolarHBondContact O-N 2.92Å |
| 227 | S | 93.4 | Very high | 91.9 | Very high | 51 Ų | 51 | 80.9 Ų | 80.9 | 36% | 0.357 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -52.8 | -46.4 | -175.8 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | L224 I230 K231 | L224-S227 WeakPolarHBondContact O-CB 3.5Å; L224-S227 PolarHBondContact O-N 3.33Å; L224-S227 VanDerWaalsContact O-N 3.11Å; L224-S227 PolarHBondContact O-OG 2.87Å; S227-I230 PolarHBondContact O-N 3.32Å; S227-K231 PolarHBondContact O-N 2.97Å |
| 228 | E | 91.8 | Very high | 91.7 | Very high | 102 Ų | 102 | 82.3 Ų | 82.3 | 48% | 0.477 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 179.6 | -62.3 | -49.6 | 120.3 | 0 | 0 | 111.5 | P161 Y226 I230 K231 I232 | P161-E228 HydrophobicContact CB-CB 4.49Å; P161-E228 HydrophobicContact CG-CB 4.38Å; Y226-E228 VanDerWaalsContact C-N 3.32Å; Y226-E228 PolarHBondContact O-N 3.46Å; E228-I230 VanDerWaalsContact C-N 3.29Å; E228-I230 PolarHBondContact O-N 3.25Å; E228-K231 WeakPolarHBondContact O-CB 3.28Å; E228-K231 PolarHBondContact O-N 3.04Å; E228-K231 VanDerWaalsContact O-N 3.16Å; E228-I232 WeakPolarHBondContact O-CG1 3.32Å; E228-I232 PolarHBondContact O-N 3.4Å |
| 229 | S | 93.3 | Very high | 91.5 | Very high | 8 Ų | 8 | 86.5 Ų | 86.5 | 6% | 0.056 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 175.8 | -41.5 | 0 | 0 | 0 | 0 | 111.2 | P161 Y226 I232 L233 | P161-S229 PolarHBondContact O-OG 3.07Å; Y226-S229 PolarHBondContact O-N 3.04Å; S229-I232 PolarHBondContact O-N 2.9Å; S229-L233 VanDerWaalsContact O-CG 3.28Å; S229-L233 WeakPolarHBondContact O-CG 3.43Å; S229-L233 PolarHBondContact O-N 3.16Å |
| 230 | I | 93.3 | Very high | 91 | Very high | 65 Ų | 65 | 93.3 Ų | 93.3 | 33% | 0.333 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 177.4 | -68.5 | 164.2 | 0 | 0 | 0 | 111 | Y226 S227 E228 L233 K234 | Y226-I230 WeakPolarHBondContact O-CB 3.49Å; Y226-I230 VanDerWaalsContact O-CG1 3.26Å; Y226-I230 WeakPolarHBondContact O-CG1 3.44Å; Y226-I230 PolarHBondContact O-N 2.92Å; S227-I230 PolarHBondContact O-N 3.32Å; E228-I230 VanDerWaalsContact C-N 3.29Å; E228-I230 PolarHBondContact O-N 3.25Å; I230-L233 PolarHBondContact O-N 3.05Å; I230-K234 HydrophobicContact CG2-CD 4.25Å; I230-K234 HydrophobicContact CG2-CG 4.47Å; I230-K234 WeakPolarHBondContact O-CG 3.42Å; I230-K234 PolarHBondContact O-N 3.26Å |
| 231 | K | 93.2 | Very high | 90.5 | Very high | 134 Ų | 134 | 94.3 Ų | 94.3 | 58% | 0.583 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60.9 | -47.5 | 177.1 | -174.8 | -176.4 | 176 | -171 | 0 | 111 | S227 E228 L233 K234 E235 | S227-K231 PolarHBondContact O-N 2.97Å; E228-K231 WeakPolarHBondContact O-CB 3.28Å; E228-K231 PolarHBondContact O-N 3.04Å; E228-K231 VanDerWaalsContact O-N 3.16Å; K231-L233 PolarHBondContact O-N 3.39Å; K231-K234 PolarHBondContact O-N 2.66Å; K231-E235 PolarHBondContact O-N 3.49Å |
| 232 | I | 91.6 | Very high | 89.1 | Confident | 40 Ų | 40 | 102 Ų | 102 | 21% | 0.205 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 176.5 | -66.8 | 164.6 | 0 | 0 | 0 | 110.9 | V157 L160 P161 E228 S229 K234 E235 M236 | V157-I232 HydrophobicContact CB-CG2 4.33Å; V157-I232 HydrophobicContact CG1-CG2 3.96Å; V157-I232 HydrophobicContact CG2-CG2 3.73Å; L160-I232 HydrophobicContact CD2-CB 4.41Å; L160-I232 HydrophobicContact CD2-CG2 4.17Å; P161-I232 HydrophobicContact CG-CD1 3.5Å; E228-I232 WeakPolarHBondContact O-CG1 3.32Å; E228-I232 PolarHBondContact O-N 3.4Å; S229-I232 PolarHBondContact O-N 2.9Å; I232-K234 VanDerWaalsContact C-N 3.28Å; I232-K234 PolarHBondContact O-N 3.3Å; I232-E235 PolarHBondContact O-N 3.2Å; I232-M236 HydrophobicContact CG2-CG 4.29Å; I232-M236 HydrophobicContact CG2-SD 3.99Å; I232-M236 WeakPolarHBondContact O-CG 3.32Å; I232-M236 PolarHBondContact O-N 3Å |
| 233 | L | 92 | Very high | 88.9 | Confident | 92 Ų | 92 | 106 Ų | 106 | 48% | 0.482 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 179.2 | -70.7 | 173.1 | 0 | 0 | 0 | 112.7 | L160 S229 I230 K231 K237 | L160-L233 HydrophobicContact CD1-CD1 4.17Å; L160-L233 HydrophobicContact CD1-CD2 4.39Å; L160-L233 HydrophobicContact CD1-CG 4.38Å; L160-L233 HydrophobicContact CD2-CD2 4.18Å; L160-L233 HydrophobicContact CD2-CG 4.12Å; S229-L233 VanDerWaalsContact O-CG 3.28Å; S229-L233 WeakPolarHBondContact O-CG 3.43Å; S229-L233 PolarHBondContact O-N 3.16Å; I230-L233 PolarHBondContact O-N 3.05Å; K231-L233 PolarHBondContact O-N 3.39Å; L233-K237 WeakPolarHBondContact O-CB 3.43Å; L233-K237 PolarHBondContact O-N 3.29Å |
| 234 | K | 91.2 | Very high | 88.8 | Confident | 132 Ų | 132 | 105.8 Ų | 105.8 | 57% | 0.574 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.1 | -46 | 174.9 | -76.5 | 178.6 | 177.3 | -175.1 | 0 | 111.8 | I230 K231 I232 K237 E238 | I230-K234 HydrophobicContact CG2-CD 4.25Å; I230-K234 HydrophobicContact CG2-CG 4.47Å; I230-K234 WeakPolarHBondContact O-CG 3.42Å; I230-K234 PolarHBondContact O-N 3.26Å; K231-K234 PolarHBondContact O-N 2.66Å; I232-K234 VanDerWaalsContact C-N 3.28Å; I232-K234 PolarHBondContact O-N 3.3Å; K234-K237 PolarHBondContact O-N 3.43Å; K234-E238 WeakPolarHBondContact O-CG 3.35Å; K234-E238 PolarHBondContact O-N 3.37Å |
| 235 | E | 90.5 | Very high | 88.6 | Confident | 98 Ų | 98 | 105.2 Ų | 105.2 | 46% | 0.458 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 177.3 | -174.7 | 177.3 | 174.7 | 0 | 0 | 111.4 | K231 I232 K237 E238 M239 | K231-E235 PolarHBondContact O-N 3.49Å; I232-E235 PolarHBondContact O-N 3.2Å; E235-K237 VanDerWaalsContact C-N 3.32Å; E235-K237 PolarHBondContact O-N 2.97Å; E235-E238 PolarHBondContact O-N 3.22Å; E235-M239 HydrophobicContact CG-CE 3.98Å; E235-M239 VanDerWaalsContact O-CG 3.32Å; E235-M239 WeakPolarHBondContact O-CG 3.36Å; E235-M239 PolarHBondContact O-N 2.95Å |
| 236 | M | 87.8 | Confident | 88.3 | Confident | 88 Ų | 88 | 108.9 Ų | 108.9 | 43% | 0.433 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60 | -41.4 | 176.1 | -69 | -179.2 | 90.3 | 0 | 0 | 112.1 | V157 I232 M239 Y240 | V157-M236 HydrophobicContact CB-CE 4.03Å; V157-M236 HydrophobicContact CB-SD 3.97Å; V157-M236 HydrophobicContact CG2-CE 4.37Å; V157-M236 HydrophobicContact CG2-SD 4.06Å; I232-M236 HydrophobicContact CG2-CG 4.29Å; I232-M236 HydrophobicContact CG2-SD 3.99Å; I232-M236 WeakPolarHBondContact O-CG 3.32Å; I232-M236 PolarHBondContact O-N 3Å; M236-M239 PolarHBondContact O-N 3.18Å; M236-Y240 PolarHBondContact O-N 3.41Å |
| 237 | K | 89.2 | Confident | 87.9 | Confident | 130 Ų | 130 | 110.8 Ų | 110.8 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.8 | -46.9 | 175.5 | -178.3 | -175.5 | 178.7 | -63.7 | 0 | 111.3 | L233 K234 E235 M239 Y240 D241 | L233-K237 WeakPolarHBondContact O-CB 3.43Å; L233-K237 PolarHBondContact O-N 3.29Å; K234-K237 PolarHBondContact O-N 3.43Å; E235-K237 VanDerWaalsContact C-N 3.32Å; E235-K237 PolarHBondContact O-N 2.97Å; K237-M239 VanDerWaalsContact C-N 3.27Å; K237-M239 PolarHBondContact O-N 3.44Å; K237-Y240 PolarHBondContact O-N 3.15Å; K237-Y240 VanDerWaalsContact O-N 3.15Å; K237-D241 IonicContact NZ-OD2 2.66Å; K237-D241 PolarHBondContact NZ-OD2 3.08Å; K237-D241 PolarHBondContact O-N 3.41Å |
| 238 | E | 90.1 | Very high | 87.6 | Confident | 133 Ų | 133 | 114.7 Ų | 114.7 | 62% | 0.621 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.8 | -31.2 | 179.3 | -74.1 | 177.2 | -170.7 | 0 | 0 | 113 | K234 E235 | K234-E238 WeakPolarHBondContact O-CG 3.35Å; K234-E238 PolarHBondContact O-N 3.37Å; E235-E238 PolarHBondContact O-N 3.22Å |
| 239 | M | 85.2 | Confident | 87.3 | Confident | 105 Ų | 105 | 115.6 Ų | 115.6 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.8 | -31.3 | 173.8 | -65.9 | -140.1 | -145.2 | 0 | 0 | 113.2 | E235 M236 K237 | E235-M239 HydrophobicContact CG-CE 3.98Å; E235-M239 VanDerWaalsContact O-CG 3.32Å; E235-M239 WeakPolarHBondContact O-CG 3.36Å; E235-M239 PolarHBondContact O-N 2.95Å; M236-M239 PolarHBondContact O-N 3.18Å; K237-M239 VanDerWaalsContact C-N 3.27Å; K237-M239 PolarHBondContact O-N 3.44Å |
| 240 | Y | 81.6 | Confident | 86.8 | Confident | 200 Ų | 200 | 123.9 Ų | 123.9 | 78% | 0.784 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -84.8 | -26.2 | -179.3 | -165.3 | -90.2 | 0 | 0 | 0 | 113.1 | M236 K237 R242 | M236-Y240 PolarHBondContact O-N 3.41Å; K237-Y240 PolarHBondContact O-N 3.15Å; K237-Y240 VanDerWaalsContact O-N 3.15Å; Y240-R242 VanDerWaalsContact C-N 3.26Å; Y240-R242 PolarHBondContact O-N 3.07Å |
| 241 | D | 81.6 | Confident | 86.2 | Confident | 109 Ų | 109 | 128.8 Ų | 128.8 | 58% | 0.583 | 57% | 0.573 | S | S | * | * | trans | -81.6 | 1.8 | 178.1 | -70.9 | -19.1 | 0 | 0 | 0 | 113.3 | K237 | K237-D241 IonicContact NZ-OD2 2.66Å; K237-D241 PolarHBondContact NZ-OD2 3.08Å; K237-D241 PolarHBondContact O-N 3.41Å | ||
| 242 | R | 61.2 | Low | 85.6 | Confident | 285 Ų | 285 | 128.4 Ų | 128.4 | 100% | 1.075 | 57% | 0.573 | S | S | * | * | trans | -95.3 | 0 | 171.5 | -88.2 | -171.1 | -169.6 | 175.8 | 5.8 | 111.8 | Y240 | Y240-R242 VanDerWaalsContact C-N 3.26Å; Y240-R242 PolarHBondContact O-N 3.07Å |
Retrieved 242 of 242 residues in 1117.8 ms
(Link to these results)