| 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 | 41.8 | Very low | 40.4 | Very low | 250 Ų | 250 | 132 Ų | 132 | 100% | 1.232 | 79% | 0.792 | S | S | * | * | 0 | 112.9 | 0 | -67.8 | -170.9 | -157.6 | 0 | 0 | 107.9 | |||||
| 2 | A | 30.2 | Very low | 41.1 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -158.1 | 105.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 3 | A | 31.6 | Very low | 41.5 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | trans | -87.3 | 109.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108 | G5 | A3-G5 PolarHBondContact O-N 3.42Š| ||
| 4 | S | 38 | Very low | 41.8 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | -81 | 100.1 | 166.5 | -61.6 | 0 | 0 | 0 | 0 | 108 | A6 | S4-A6 PolarHBondContact O-N 3.25Å; S4-A6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | G | 31.6 | Very low | 42.3 | Very low | 65 Ų | 65 | 126.5 Ų | 126.5 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | trans | -64.7 | 105.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.3 | A3 H7 | A3-G5 PolarHBondContact O-N 3.42Å; G5-H7 PolarHBondContact O-N 3.27Å | ||
| 6 | A | 40.5 | Very low | 43.1 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | trans | -65.2 | 101.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | S4 K8 | S4-A6 PolarHBondContact O-N 3.25Å; S4-A6 VanDerWaalsContact O-N 3.12Å; A6-K8 PolarHBondContact O-N 3.43Å | ||
| 7 | H | 44.3 | Very low | 43.5 | Very low | 189 Ų | 189 | 125.1 Ų | 125.1 | 88% | 0.875 | 71% | 0.713 | S | S | * | * | trans | -59.4 | 107 | 169 | -88.2 | -95.2 | 0 | 0 | 0 | 108.3 | G5 C9 | G5-H7 PolarHBondContact O-N 3.27Å; H7-C9 VanDerWaalsContact C-N 3.28Å; H7-C9 PolarHBondContact O-N 3.18Å | ||
| 8 | K | 47.1 | Very low | 44 | Very low | 199 Ų | 199 | 120.7 Ų | 120.7 | 87% | 0.865 | 70% | 0.695 | S | S | * | * | trans | -67.9 | 94 | 164 | -67.4 | -174.9 | 179.6 | -178.1 | 0 | 106.5 | A6 | A6-K8 PolarHBondContact O-N 3.43Š| ||
| 9 | C | 46.8 | Very low | 44.5 | Very low | 59 Ų | 59 | 120 Ų | 120 | 40% | 0.399 | 69% | 0.685 | S | S | . | * | trans | -50.1 | 122.4 | 166.6 | 173.3 | 0 | 0 | 0 | 0 | 107.6 | H7 K11 E13 | H7-C9 VanDerWaalsContact C-N 3.28Å; H7-C9 PolarHBondContact O-N 3.18Å; C9-K11 PolarHBondContact O-N 2.81Å; C9-E13 PolarHBondContact SG-OE1 3.11Å | ||
| 10 | P | 44.3 | Very low | 44.9 | Very low | 73 Ų | 73 | 116.8 Ų | 116.8 | 47% | 0.474 | 67% | 0.673 | S | S | . | * | trans | -60.9 | 134.7 | -178.5 | 23.6 | -30.2 | 0 | 0 | 0 | 108.5 | S12 E13 | P10-S12 PolarHBondContact O-N 2.9Å; P10-E13 PolarHBondContact O-N 3.01Å | ||
| 11 | K | 47.8 | Very low | 45.3 | Very low | 191 Ų | 191 | 115.9 Ų | 115.9 | 83% | 0.83 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -52.7 | -16.2 | -177 | -70.8 | 174.6 | 176.6 | 173.3 | 0 | 114.2 | C9 L15 | C9-K11 PolarHBondContact O-N 2.81Å; K11-L15 WeakPolarHBondContact O-CG 2.94Å |
| 12 | S | 49.5 | Very low | 45.9 | Very low | 79 Ų | 79 | 106.3 Ų | 106.3 | 55% | 0.552 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.8 | -34.9 | 174.4 | 52 | 0 | 0 | 0 | 0 | 113.5 | P10 L15 D16 | P10-S12 PolarHBondContact O-N 2.9Å; S12-L15 PolarHBondContact O-N 3.14Å; S12-D16 WeakPolarHBondContact O-CB 3.34Å; S12-D16 PolarHBondContact O-N 2.92Å |
| 13 | E | 46.2 | Very low | 46.9 | Very low | 118 Ų | 118 | 108.5 Ų | 108.5 | 55% | 0.551 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.8 | -39.1 | -172.9 | -164 | 159.9 | 83.3 | 0 | 0 | 111.4 | C9 P10 L15 D16 E17 | C9-E13 PolarHBondContact SG-OE1 3.11Å; P10-E13 PolarHBondContact O-N 3.01Å; E13-L15 VanDerWaalsContact C-N 3.33Å; E13-L15 PolarHBondContact O-N 2.76Å; E13-D16 PolarHBondContact O-N 2.64Å; E13-E17 PolarHBondContact O-N 3.49Å |
| 14 | K | 45.3 | Very low | 47.9 | Very low | 151 Ų | 151 | 107 Ų | 107 | 66% | 0.657 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.3 | -27.7 | 171.3 | -75.3 | -170.6 | 171.2 | -171.9 | 0 | 114.1 | A18 | K14-A18 PolarHBondContact O-N 3.14Å |
| 15 | L | 50.1 | Low | 48.4 | Very low | 97 Ų | 97 | 104 Ų | 104 | 51% | 0.508 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -75.8 | -37.4 | 174.6 | -74.1 | 171.4 | 0 | 0 | 0 | 110.9 | K11 S12 E13 A18 Q19 | K11-L15 WeakPolarHBondContact O-CG 2.94Å; S12-L15 PolarHBondContact O-N 3.14Å; E13-L15 VanDerWaalsContact C-N 3.33Å; E13-L15 PolarHBondContact O-N 2.76Å; L15-A18 PolarHBondContact O-N 3.31Å; L15-Q19 VanDerWaalsContact O-CB 3.31Å; L15-Q19 WeakPolarHBondContact O-CB 3.47Å; L15-Q19 PolarHBondContact O-N 2.79Å |
| 16 | D | 55.1 | Low | 49.1 | Very low | 109 Ų | 109 | 104.3 Ų | 104.3 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.2 | -41.8 | 176.2 | -165.3 | 62.8 | 0 | 0 | 0 | 111.3 | S12 E13 Q19 A20 | S12-D16 WeakPolarHBondContact O-CB 3.34Å; S12-D16 PolarHBondContact O-N 2.92Å; E13-D16 PolarHBondContact O-N 2.64Å; D16-Q19 PolarHBondContact O-N 2.73Å; D16-A20 VanDerWaalsContact O-CB 3.3Å; D16-A20 WeakPolarHBondContact O-CB 3.47Å; D16-A20 PolarHBondContact O-N 2.87Å |
| 17 | E | 49.3 | Very low | 49 | Very low | 120 Ų | 120 | 103 Ų | 103 | 56% | 0.561 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.6 | -45.8 | 174.7 | -168.6 | -176.6 | 158.9 | 0 | 0 | 112.2 | E13 Q19 A20 L21 | E13-E17 PolarHBondContact O-N 3.49Å; E17-Q19 VanDerWaalsContact C-N 3.3Å; E17-Q19 PolarHBondContact O-N 3.39Å; E17-A20 PolarHBondContact O-N 3.18Å; E17-L21 HydrophobicContact CG-CD1 4.34Å; E17-L21 WeakPolarHBondContact O-CB 3.35Å; E17-L21 VanDerWaalsContact O-CG 3.27Å; E17-L21 WeakPolarHBondContact O-CG 3.22Å; E17-L21 PolarHBondContact O-N 2.81Å |
| 18 | A | 52.2 | Low | 49 | Very low | 46 Ų | 46 | 103 Ų | 103 | 38% | 0.38 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.9 | -35.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K14 L15 A22 | K14-A18 PolarHBondContact O-N 3.14Å; L15-A18 PolarHBondContact O-N 3.31Å; A18-A22 WeakPolarHBondContact O-CB 3.27Å; A18-A22 PolarHBondContact O-N 2.86Å |
| 19 | Q | 54.1 | Low | 48.7 | Very low | 108 Ų | 108 | 99.2 Ų | 99.2 | 51% | 0.505 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -74.2 | -37 | 177.6 | -170 | 175.9 | -11.4 | 0 | 0 | 111.9 | L15 D16 E17 A22 K23 | L15-Q19 VanDerWaalsContact O-CB 3.31Å; L15-Q19 WeakPolarHBondContact O-CB 3.47Å; L15-Q19 PolarHBondContact O-N 2.79Å; D16-Q19 PolarHBondContact O-N 2.73Å; E17-Q19 VanDerWaalsContact C-N 3.3Å; E17-Q19 PolarHBondContact O-N 3.39Å; Q19-A22 PolarHBondContact O-N 3.38Å; Q19-K23 WeakPolarHBondContact O-CB 3.45Å; Q19-K23 WeakPolarHBondContact O-CG 3.44Å; Q19-K23 PolarHBondContact O-N 3.34Å |
| 20 | A | 52.9 | Low | 48.5 | Very low | 56 Ų | 56 | 102.5 Ų | 102.5 | 46% | 0.463 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.4 | -42.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | D16 E17 K23 S24 | D16-A20 VanDerWaalsContact O-CB 3.3Å; D16-A20 WeakPolarHBondContact O-CB 3.47Å; D16-A20 PolarHBondContact O-N 2.87Å; E17-A20 PolarHBondContact O-N 3.18Å; A20-K23 PolarHBondContact O-N 2.82Å; A20-S24 WeakPolarHBondContact O-CB 3.34Å; A20-S24 PolarHBondContact O-N 3.37Å |
| 21 | L | 53.1 | Low | 48.5 | Very low | 98 Ų | 98 | 105.8 Ų | 105.8 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.8 | -46.9 | 174.5 | -73.3 | 168.6 | 0 | 0 | 0 | 111.5 | E17 K23 S24 C25 | E17-L21 HydrophobicContact CG-CD1 4.34Å; E17-L21 WeakPolarHBondContact O-CB 3.35Å; E17-L21 VanDerWaalsContact O-CG 3.27Å; E17-L21 WeakPolarHBondContact O-CG 3.22Å; E17-L21 PolarHBondContact O-N 2.81Å; L21-K23 VanDerWaalsContact C-N 3.33Å; L21-K23 PolarHBondContact O-N 3.12Å; L21-S24 PolarHBondContact O-N 3Å; L21-S24 VanDerWaalsContact O-N 3.12Å; L21-S24 PolarHBondContact O-OG 2.83Å; L21-C25 PolarHBondContact O-N 2.95Å; L21-C25 PolarHBondContact O-SG 3.24Å |
| 22 | A | 54.2 | Low | 48.3 | Very low | 48 Ų | 48 | 104 Ų | 104 | 40% | 0.397 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.5 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A18 Q19 C25 A26 | A18-A22 WeakPolarHBondContact O-CB 3.27Å; A18-A22 PolarHBondContact O-N 2.86Å; Q19-A22 PolarHBondContact O-N 3.38Å; A22-C25 PolarHBondContact O-N 2.98Å; A22-A26 PolarHBondContact O-N 2.75Å; A22-A26 VanDerWaalsContact O-N 3.13Å |
| 23 | K | 50.3 | Low | 48.1 | Very low | 148 Ų | 148 | 104.1 Ų | 104.1 | 64% | 0.643 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.2 | -37.7 | 174.4 | -75.2 | 174.6 | 179.3 | 176.5 | 0 | 112.4 | Q19 A20 L21 C25 A26 | Q19-K23 WeakPolarHBondContact O-CB 3.45Å; Q19-K23 WeakPolarHBondContact O-CG 3.44Å; Q19-K23 PolarHBondContact O-N 3.34Å; A20-K23 PolarHBondContact O-N 2.82Å; L21-K23 VanDerWaalsContact C-N 3.33Å; L21-K23 PolarHBondContact O-N 3.12Å; K23-C25 VanDerWaalsContact C-N 3.33Å; K23-A26 PolarHBondContact O-N 2.74Å |
| 24 | S | 52.8 | Low | 48.2 | Very low | 76 Ų | 76 | 101.9 Ų | 101.9 | 53% | 0.531 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.3 | -32.5 | 177.9 | 79.6 | 0 | 0 | 0 | 0 | 112.6 | A20 L21 | A20-S24 WeakPolarHBondContact O-CB 3.34Å; A20-S24 PolarHBondContact O-N 3.37Å; L21-S24 PolarHBondContact O-N 3Å; L21-S24 VanDerWaalsContact O-N 3.12Å; L21-S24 PolarHBondContact O-OG 2.83Å |
| 25 | C | 48 | Very low | 48.4 | Very low | 59 Ų | 59 | 101.1 Ų | 101.1 | 40% | 0.399 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -78.7 | -30.8 | 177.9 | -63.4 | 0 | 0 | 0 | 0 | 112.7 | L21 A22 K23 G27 R28 F31 | L21-C25 PolarHBondContact O-N 2.95Å; L21-C25 PolarHBondContact O-SG 3.24Å; A22-C25 PolarHBondContact O-N 2.98Å; K23-C25 VanDerWaalsContact C-N 3.33Å; C25-G27 PolarHBondContact O-N 3.19Å; C25-R28 PolarHBondContact O-N 2.7Å; C25-R28 VanDerWaalsContact O-N 3.1Å; C25-F31 HydrophobicContact CB-CZ 4.33Å; C25-F31 WeakPolarHBondContact O-CE2 3.46Å; C25-F31 WeakPolarHBondContact O-CZ 3.4Å |
| 26 | A | 46.7 | Very low | 48.5 | Very low | 73 Ų | 73 | 99.5 Ų | 99.5 | 60% | 0.603 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -9.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A22 K23 | A22-A26 PolarHBondContact O-N 2.75Å; A22-A26 VanDerWaalsContact O-N 3.13Å; K23-A26 PolarHBondContact O-N 2.74Å |
| 27 | G | 39.5 | Very low | 48.1 | Very low | 67 Ų | 67 | 102.2 Ų | 102.2 | 69% | 0.691 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -1.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | C25 | C25-G27 PolarHBondContact O-N 3.19Š|
| 28 | R | 43.4 | Very low | 48 | Very low | 188 Ų | 188 | 99.9 Ų | 99.9 | 71% | 0.709 | 59% | 0.594 | S | S | * | * | trans | -91.4 | 131.7 | 177.3 | -82.4 | -167.5 | 160.2 | -179.6 | -5 | 110.8 | C25 D30 F31 | C25-R28 PolarHBondContact O-N 2.7Å; C25-R28 VanDerWaalsContact O-N 3.1Å; R28-D30 PolarHBondContact O-N 2.91Å; R28-F31 VanDerWaalsContact O-CD2 3.28Å; R28-F31 WeakPolarHBondContact O-CD2 3.41Å; R28-F31 WeakPolarHBondContact O-CE2 3.23Å | ||
| 29 | P | 41 | Very low | 47.8 | Very low | 120 Ų | 120 | 106 Ų | 106 | 78% | 0.779 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -70 | -10 | -178 | 27.6 | -32.7 | 0 | 0 | 0 | 113.6 | F31 | P29-F31 VanDerWaalsContact C-N 3.34Å; P29-F31 PolarHBondContact O-N 3.25Å |
| 30 | D | 42.5 | Very low | 47.4 | Very low | 128 Ų | 128 | 102.8 Ų | 102.8 | 68% | 0.684 | 61% | 0.607 | S | S | * | * | trans | -93 | 50.6 | -174.5 | -51.1 | -40.1 | 0 | 0 | 0 | 112.9 | R28 L32 | R28-D30 PolarHBondContact O-N 2.91Å; D30-L32 VanDerWaalsContact C-N 3.25Å; D30-L32 PolarHBondContact O-N 2.91Å | ||
| 31 | F | 44.5 | Very low | 47.2 | Very low | 141 Ų | 141 | 105.6 Ų | 105.6 | 62% | 0.618 | 63% | 0.631 | S | S | * | * | trans | -74.3 | 84.8 | 168.3 | -81.4 | -78.1 | 0 | 0 | 0 | 109.8 | C25 R28 P29 | C25-F31 HydrophobicContact CB-CZ 4.33Å; C25-F31 WeakPolarHBondContact O-CE2 3.46Å; C25-F31 WeakPolarHBondContact O-CZ 3.4Å; R28-F31 VanDerWaalsContact O-CD2 3.28Å; R28-F31 WeakPolarHBondContact O-CD2 3.41Å; R28-F31 WeakPolarHBondContact O-CE2 3.23Å; P29-F31 VanDerWaalsContact C-N 3.34Å; P29-F31 PolarHBondContact O-N 3.25Å | ||
| 32 | L | 43.7 | Very low | 46.9 | Very low | 154 Ų | 154 | 105.9 Ų | 105.9 | 81% | 0.806 | 64% | 0.636 | S | S | * | * | trans | -64.1 | 134 | 169 | -73.8 | 166.7 | 0 | 0 | 0 | 109.7 | D30 C34 | D30-L32 VanDerWaalsContact C-N 3.25Å; D30-L32 PolarHBondContact O-N 2.91Å; L32-C34 PolarHBondContact O-N 2.87Å | ||
| 33 | P | 45.1 | Very low | 46.8 | Very low | 82 Ų | 82 | 106.9 Ų | 106.9 | 53% | 0.532 | 63% | 0.633 | S | S | . | * | trans | -53.4 | 137 | 172.4 | -21.5 | 30.6 | 0 | 0 | 0 | 110.5 | D35 | P33-D35 PolarHBondContact O-N 2.88Š| ||
| 34 | C | 48.4 | Very low | 46.4 | Very low | 70 Ų | 70 | 104.6 Ų | 104.6 | 47% | 0.473 | 64% | 0.635 | S | S | . | * | trans | -73.9 | 114.6 | 174.6 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | L32 G36 | L32-C34 PolarHBondContact O-N 2.87Å; C34-G36 PolarHBondContact O-N 3.03Å | ||
| 35 | D | 50.2 | Low | 46 | Very low | 135 Ų | 135 | 107.2 Ų | 107.2 | 72% | 0.722 | 64% | 0.639 | S | S | * | * | trans | -66 | 6.2 | -179.3 | -65.8 | -35.2 | 0 | 0 | 0 | 114.4 | P33 L37 | P33-D35 PolarHBondContact O-N 2.88Å; D35-L37 PolarHBondContact O-N 3.19Å | ||
| 36 | G | 50.6 | Low | 45.6 | Very low | 63 Ų | 63 | 108.1 Ų | 108.1 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 68.4 | -1.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | C34 | C34-G36 PolarHBondContact O-N 3.03Š|
| 37 | L | 48.1 | Very low | 45.5 | Very low | 166 Ų | 166 | 113.8 Ų | 113.8 | 87% | 0.869 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -110.4 | -23 | -179.8 | -63.2 | 175.9 | 0 | 0 | 0 | 112.9 | D35 | D35-L37 PolarHBondContact O-N 3.19Š|
| 38 | S | 45.8 | Very low | 45.9 | Very low | 72 Ų | 72 | 115 Ų | 115 | 50% | 0.503 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -91.8 | 136.1 | 177.8 | 54.2 | 0 | 0 | 0 | 0 | 111.2 | C40 | S38-C40 VanDerWaalsContact C-N 3.35Å; S38-C40 PolarHBondContact O-N 3.14Å |
| 39 | I | 49 | Very low | 45.7 | Very low | 173 Ų | 173 | 115.2 Ų | 115.2 | 89% | 0.887 | 67% | 0.673 | S | S | * | * | trans | -75.5 | 88.4 | 176.5 | -29.7 | 163.2 | 0 | 0 | 0 | 106.3 | ||||
| 40 | C | 46.1 | Very low | 45.8 | Very low | 41 Ų | 41 | 119.6 Ų | 119.6 | 28% | 0.277 | 68% | 0.68 | S | S | . | * | trans | -74.3 | 139.4 | 178.3 | 131.1 | 0 | 0 | 0 | 0 | 111.3 | S38 T42 H43 | S38-C40 VanDerWaalsContact C-N 3.35Å; S38-C40 PolarHBondContact O-N 3.14Å; C40-T42 PolarHBondContact O-N 3.36Å; C40-T42 WeakPolarHBondContact SG-CB 3.38Å; C40-T42 PolarHBondContact SG-N 3.01Å; C40-T42 PolarHBondContact SG-OG1 3.41Å; C40-H43 VanDerWaalsContact CB-CD2 3.4Å; C40-H43 WeakPolarHBondContact CB-CD2 3.47Å; C40-H43 WeakPolarHBondContact CB-NE2 3.33Å; C40-H43 PolarHBondContact N-CD2 3.46Å; C40-H43 PolarHBondContact O-CD2 2.93Å; C40-H43 PolarHBondContact O-N 3.49Å; C40-H43 PolarHBondContact SG-CD2 3.07Å; C40-H43 PolarHBondContact SG-CE1 3.15Å; C40-H43 PolarHBondContact SG-NE2 3Å | ||
| 41 | A | 47.6 | Very low | 46.2 | Very low | 116 Ų | 116 | 120.7 Ų | 120.7 | 96% | 0.959 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -15.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 42 | T | 48.1 | Very low | 46.3 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 63% | 0.632 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -2.7 | -178.8 | 104.8 | 0 | 0 | 0 | 0 | 112.7 | C40 | C40-T42 PolarHBondContact O-N 3.36Å; C40-T42 WeakPolarHBondContact SG-CB 3.38Å; C40-T42 PolarHBondContact SG-N 3.01Å; C40-T42 PolarHBondContact SG-OG1 3.41Å |
| 43 | H | 50.5 | Low | 46 | Very low | 69 Ų | 69 | 123 Ų | 123 | 32% | 0.319 | 68% | 0.684 | S | S | . | * | trans | -116.7 | 97.1 | 179.5 | -19.1 | -68.9 | 0 | 0 | 0 | 111.7 | C40 H45 | C40-H43 VanDerWaalsContact CB-CD2 3.4Å; C40-H43 WeakPolarHBondContact CB-CD2 3.47Å; C40-H43 WeakPolarHBondContact CB-NE2 3.33Å; C40-H43 PolarHBondContact N-CD2 3.46Å; C40-H43 PolarHBondContact O-CD2 2.93Å; C40-H43 PolarHBondContact O-N 3.49Å; C40-H43 PolarHBondContact SG-CD2 3.07Å; C40-H43 PolarHBondContact SG-CE1 3.15Å; C40-H43 PolarHBondContact SG-NE2 3Å; H43-H45 VanDerWaalsContact C-N 3.26Å; H43-H45 PolarHBondContact O-N 3.31Å | ||
| 44 | S | 42.9 | Very low | 45.8 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | trans | -83.2 | 5.1 | 172.5 | 48.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 45 | H | 43.8 | Very low | 45.6 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 61% | 0.606 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -127.2 | 114.7 | 176.2 | -76.4 | -75.6 | 0 | 0 | 0 | 110.4 | H43 | H43-H45 VanDerWaalsContact C-N 3.26Å; H43-H45 PolarHBondContact O-N 3.31Å |
| 46 | G | 40.8 | Very low | 45.3 | Very low | 79 Ų | 79 | 121.4 Ų | 121.4 | 81% | 0.814 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -58.3 | 156.6 | -171 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 47 | K | 45 | Very low | 45.2 | Very low | 192 Ų | 192 | 123.9 Ų | 123.9 | 84% | 0.835 | 67% | 0.667 | S | S | * | * | trans | 44.9 | 83.2 | 176.7 | -73.4 | -177.6 | 178.5 | 177.3 | 0 | 114 | F49 | K47-F49 PolarHBondContact O-N 2.95Å; K47-F49 VanDerWaalsContact O-N 3.14Å | ||
| 48 | C | 47.3 | Very low | 45 | Very low | 91 Ų | 91 | 119.2 Ų | 119.2 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | trans | -61.9 | 113 | 163.9 | -66.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 49 | F | 38.2 | Very low | 44.8 | Very low | 193 Ų | 193 | 123.9 Ų | 123.9 | 85% | 0.846 | 67% | 0.666 | S | S | * | * | trans | -67.1 | 143.2 | 169 | -78 | -89.9 | 0 | 0 | 0 | 109 | K47 L51 | K47-F49 PolarHBondContact O-N 2.95Å; K47-F49 VanDerWaalsContact O-N 3.14Å; F49-L51 PolarHBondContact O-N 3.35Å | ||
| 50 | K | 44.3 | Very low | 44.4 | Very low | 212 Ų | 212 | 118.2 Ų | 118.2 | 92% | 0.922 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -64.7 | 31.4 | -162.3 | -141.7 | 173.6 | -173.4 | 179.5 | 0 | 116.4 | ||
| 51 | L | 49.6 | Very low | 43.9 | Very low | 152 Ų | 152 | 123 Ų | 123 | 80% | 0.796 | 66% | 0.659 | S | S | * | * | trans | -152.3 | 103.1 | 178.4 | -78.1 | 167.8 | 0 | 0 | 0 | 108.6 | F49 | F49-L51 PolarHBondContact O-N 3.35Š| ||
| 52 | H | 47.4 | Very low | 43.5 | Very low | 140 Ų | 140 | 120.1 Ų | 120.1 | 65% | 0.648 | 63% | 0.631 | S | S | * | * | trans | -161.8 | 109.3 | 141.3 | -108.2 | 140.6 | 0 | 0 | 0 | 112.3 | C54 C55 | H52-C54 HydrophobicContact CB-CB 4.46Å; H52-C54 WeakPolarHBondContact CB-SG 3.49Å; H52-C54 PolarHBondContact CD2-SG 3.21Å; H52-C54 PolarHBondContact O-N 3.42Å; H52-C55 PolarHBondContact O-N 2.99Å | ||
| 53 | W | 37.3 | Very low | 43.1 | Very low | 202 Ų | 202 | 124.1 Ų | 124.1 | 77% | 0.765 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -44.7 | -28.3 | 157.7 | -175.1 | -90.3 | 0 | 0 | 0 | 112.7 | C55 H56 | W53-C55 VanDerWaalsContact C-N 3.26Å; W53-C55 PolarHBondContact O-N 3.11Å; W53-H56 PolarHBondContact O-N 3.47Å |
| 54 | C | 39.8 | Very low | 42.7 | Very low | 32 Ų | 32 | 127.6 Ų | 127.6 | 22% | 0.216 | 65% | 0.651 | C | S | . | * | H | α-helix | trans | -69.7 | -17.7 | -179.9 | 76.1 | 0 | 0 | 0 | 0 | 114 | H52 G58 W59 | H52-C54 HydrophobicContact CB-CB 4.46Å; H52-C54 WeakPolarHBondContact CB-SG 3.49Å; H52-C54 PolarHBondContact CD2-SG 3.21Å; H52-C54 PolarHBondContact O-N 3.42Å; C54-G58 PolarHBondContact O-N 2.9Å; C54-W59 HydrophobicContact CB-CB 4.42Å; C54-W59 VanDerWaalsContact CB-O 3.3Å; C54-W59 WeakPolarHBondContact CB-O 3.32Å; C54-W59 CarbonylContact O-C 3.35Å; C54-W59 WeakPolarHBondContact O-CA 3.33Å; C54-W59 PolarHBondContact O-N 3.42Å; C54-W59 PolarHBondContact SG-O 3.39Å |
| 55 | C | 45 | Very low | 42.2 | Very low | 81 Ų | 81 | 129.2 Ų | 129.2 | 55% | 0.547 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -76 | -33.8 | 170.3 | -70 | 0 | 0 | 0 | 0 | 112.4 | H52 W53 L57 G58 | H52-C55 PolarHBondContact O-N 2.99Å; W53-C55 VanDerWaalsContact C-N 3.26Å; W53-C55 PolarHBondContact O-N 3.11Å; C55-L57 PolarHBondContact O-N 3.3Å; C55-G58 PolarHBondContact O-N 2.72Å; C55-G58 VanDerWaalsContact O-N 3.16Å |
| 56 | H | 43.5 | Very low | 42 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 66% | 0.657 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.9 | -23.1 | 176 | -77.5 | -66.7 | 0 | 0 | 0 | 113.2 | W53 | W53-H56 PolarHBondContact O-N 3.47Å |
| 57 | L | 48.7 | Very low | 42 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 60% | 0.602 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -2.2 | 176.6 | -64.4 | 173.8 | 0 | 0 | 0 | 113.4 | C55 | C55-L57 PolarHBondContact O-N 3.3Š|
| 58 | G | 44.7 | Very low | 41.8 | Very low | 68 Ų | 68 | 130 Ų | 130 | 70% | 0.701 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.5 | 16.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | C54 C55 | C54-G58 PolarHBondContact O-N 2.9Å; C55-G58 PolarHBondContact O-N 2.72Å; C55-G58 VanDerWaalsContact O-N 3.16Å |
| 59 | W | 41.2 | Very low | 42.3 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 64% | 0.64 | 65% | 0.653 | S | S | * | * | trans | -108.6 | 61.2 | -176.2 | -68.7 | 45.9 | 0 | 0 | 0 | 110.4 | C54 H61 | C54-W59 HydrophobicContact CB-CB 4.42Å; C54-W59 VanDerWaalsContact CB-O 3.3Å; C54-W59 WeakPolarHBondContact CB-O 3.32Å; C54-W59 CarbonylContact O-C 3.35Å; C54-W59 WeakPolarHBondContact O-CA 3.33Å; C54-W59 PolarHBondContact O-N 3.42Å; C54-W59 PolarHBondContact SG-O 3.39Å; W59-H61 PolarHBondContact O-N 3.13Å | ||
| 60 | C | 40.4 | Very low | 43.3 | Very low | 55 Ų | 55 | 126.9 Ų | 126.9 | 37% | 0.372 | 64% | 0.635 | S | S | . | * | trans | -73.2 | 112.8 | 164.3 | 125.2 | 0 | 0 | 0 | 0 | 107.8 | C62 | C60-C62 WeakPolarHBondContact CB-SG 3.44Å; C60-C62 PolarHBondContact O-N 3.15Å; C60-C62 WeakPolarHBondContact SG-CB 3.39Å; C60-C62 CovalentContact SG-SG 2.06Å; C60-C62 PolarHBondContact SG-SG 2.57Å | ||
| 61 | H | 36.6 | Very low | 43.8 | Very low | 141 Ų | 141 | 121.5 Ų | 121.5 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | trans | -78.3 | 39.2 | 175.5 | -135.1 | -88.8 | 0 | 0 | 0 | 111.3 | W59 K63 Y66 | W59-H61 PolarHBondContact O-N 3.13Å; H61-K63 VanDerWaalsContact C-N 3.34Å; H61-K63 PolarHBondContact O-N 3.05Å; H61-Y66 AromaticContact NE2-CE2 3.54Å | ||
| 62 | C | 39.1 | Very low | 43.9 | Very low | 55 Ų | 55 | 120 Ų | 120 | 37% | 0.372 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -80.5 | 83.9 | -177.8 | -41.5 | 0 | 0 | 0 | 0 | 108.5 | C60 Y64 | C60-C62 WeakPolarHBondContact CB-SG 3.44Å; C60-C62 PolarHBondContact O-N 3.15Å; C60-C62 WeakPolarHBondContact SG-CB 3.39Å; C60-C62 CovalentContact SG-SG 2.06Å; C60-C62 PolarHBondContact SG-SG 2.57Å; C62-Y64 WeakPolarHBondContact O-CD2 3.34Å; C62-Y64 PolarHBondContact O-N 3.27Å |
| 63 | K | 38.6 | Very low | 44.3 | Very low | 188 Ų | 188 | 118.9 Ų | 118.9 | 82% | 0.817 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 40.9 | 40.1 | 166.4 | -156.3 | -178.5 | 177.2 | 172.5 | 0 | 115.7 | H61 | H61-K63 VanDerWaalsContact C-N 3.34Å; H61-K63 PolarHBondContact O-N 3.05Å |
| 64 | Y | 42.9 | Very low | 44.7 | Very low | 141 Ų | 141 | 115.8 Ų | 115.8 | 55% | 0.553 | 61% | 0.614 | S | S | * | * | trans | -86.8 | 108 | 155.4 | -69.1 | -77.3 | 0 | 0 | 0 | 105.5 | C62 Y66 | C62-Y64 WeakPolarHBondContact O-CD2 3.34Å; C62-Y64 PolarHBondContact O-N 3.27Å; Y64-Y66 PolarHBondContact O-N 3.1Å | ||
| 65 | V | 32 | Very low | 45.3 | Very low | 135 Ų | 135 | 118.1 Ų | 118.1 | 82% | 0.818 | 62% | 0.624 | S | S | * | * | trans | -58.6 | 99.7 | 162.1 | 176.2 | 0 | 0 | 0 | 0 | 104.3 | Q67 | V65-Q67 PolarHBondContact O-N 2.89Š| ||
| 66 | Y | 39.9 | Very low | 45.5 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 47% | 0.471 | 64% | 0.635 | S | S | . | * | trans | -52.8 | 114.7 | 169.2 | -81.3 | -88.6 | 0 | 0 | 0 | 105.9 | H61 Y64 M69 | H61-Y66 AromaticContact NE2-CE2 3.54Å; Y64-Y66 PolarHBondContact O-N 3.1Å; Y66-M69 HydrophobicContact CD1-CG 4.45Å | ||
| 67 | Q | 40 | Very low | 46 | Very low | 171 Ų | 171 | 118.9 Ų | 118.9 | 80% | 0.799 | 64% | 0.643 | S | S | * | * | trans | -51.9 | 135.6 | 152.2 | -82.2 | -172.1 | -31.4 | 0 | 0 | 105.8 | V65 M69 | V65-Q67 PolarHBondContact O-N 2.89Å; Q67-M69 PolarHBondContact O-N 2.73Å | ||
| 68 | P | 41.7 | Very low | 46.1 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 83% | 0.831 | 65% | 0.652 | S | S | * | * | trans | -55.3 | 109.4 | -177.9 | -1.4 | 4.3 | 0 | 0 | 0 | 107.6 | T70 | P68-T70 PolarHBondContact O-N 2.96Š| ||
| 69 | M | 56.5 | Low | 46.6 | Very low | 139 Ų | 139 | 120.7 Ų | 120.7 | 69% | 0.685 | 66% | 0.655 | S | S | * | * | trans | -51.9 | 137.5 | 174.2 | -77.8 | -76 | -71 | 0 | 0 | 107.2 | Y66 Q67 N71 | Y66-M69 HydrophobicContact CD1-CG 4.45Å; Q67-M69 PolarHBondContact O-N 2.73Å; M69-N71 PolarHBondContact O-N 2.82Å | ||
| 70 | T | 59.8 | Low | 46.9 | Very low | 78 Ų | 78 | 118.7 Ų | 118.7 | 48% | 0.479 | 66% | 0.662 | S | S | . | * | trans | -36.4 | 130.9 | 176.2 | 6.2 | 0 | 0 | 0 | 0 | 109.9 | P68 V72 | P68-T70 PolarHBondContact O-N 2.96Å; T70-V72 PolarHBondContact O-N 2.95Å | ||
| 71 | N | 54.6 | Low | 47.5 | Very low | 100 Ų | 100 | 121 Ų | 121 | 54% | 0.535 | 68% | 0.676 | S | S | . | * | trans | -49.5 | 135.1 | -176.5 | -167.5 | -79.7 | 0 | 0 | 0 | 108.8 | M69 C73 Q74 | M69-N71 PolarHBondContact O-N 2.82Å; N71-C73 PolarHBondContact O-N 2.9Å; N71-C73 PolarHBondContact OD1-N 3.32Å; N71-C73 PolarHBondContact OD1-SG 2.88Å; N71-Q74 WeakPolarHBondContact O-CA 3.26Å; N71-Q74 WeakPolarHBondContact O-CB 3.31Å; N71-Q74 PolarHBondContact O-N 2.73Å | ||
| 72 | V | 52.7 | Low | 48.6 | Very low | 119 Ų | 119 | 120 Ų | 120 | 72% | 0.721 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -50.3 | -31.3 | -173.4 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | T70 Q74 L75 | T70-V72 PolarHBondContact O-N 2.95Å; V72-Q74 PolarHBondContact O-N 3.24Å; V72-L75 PolarHBondContact O-N 3.44Å |
| 73 | C | 55 | Low | 49.4 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -65.3 | -15.9 | 175.3 | -57 | 0 | 0 | 0 | 0 | 115.6 | N71 | N71-C73 PolarHBondContact O-N 2.9Å; N71-C73 PolarHBondContact OD1-N 3.32Å; N71-C73 PolarHBondContact OD1-SG 2.88Å |
| 74 | Q | 45.9 | Very low | 49.9 | Very low | 138 Ų | 138 | 118.2 Ų | 118.2 | 65% | 0.645 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -104 | -2.8 | -178.3 | -63.3 | 179.2 | -4.6 | 0 | 0 | 112.6 | N71 V72 | N71-Q74 WeakPolarHBondContact O-CA 3.26Å; N71-Q74 WeakPolarHBondContact O-CB 3.31Å; N71-Q74 PolarHBondContact O-N 2.73Å; V72-Q74 PolarHBondContact O-N 3.24Å |
| 75 | L | 53.1 | Low | 50.6 | Low | 81 Ų | 81 | 116.2 Ų | 116.2 | 42% | 0.424 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -71.9 | 131.7 | 171.9 | -64.7 | 175.2 | 0 | 0 | 0 | 108.6 | V72 S77 | V72-L75 PolarHBondContact O-N 3.44Å; L75-S77 PolarHBondContact O-N 3.14Å |
| 76 | P | 47.7 | Very low | 51.7 | Low | 117 Ų | 117 | 118 Ų | 118 | 76% | 0.76 | 70% | 0.704 | S | S | * | * | trans | -59.7 | 113.7 | 173.7 | 23.4 | -30.5 | 0 | 0 | 0 | 108.2 | T78 | P76-T78 PolarHBondContact O-N 2.94Å; P76-T78 VanDerWaalsContact O-N 3.17Å | ||
| 77 | S | 54.5 | Low | 51.9 | Low | 121 Ų | 121 | 116.3 Ų | 116.3 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | trans | -69.1 | 111.9 | 174.8 | -70.3 | 0 | 0 | 0 | 0 | 107.6 | L75 A79 | L75-S77 PolarHBondContact O-N 3.14Å; S77-A79 PolarHBondContact O-N 2.92Å; S77-A79 VanDerWaalsContact O-N 3.16Å | ||
| 78 | T | 51.9 | Low | 52.6 | Low | 128 Ų | 128 | 113.6 Ų | 113.6 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | trans | -69.4 | 110.1 | 168.7 | 56.1 | 0 | 0 | 0 | 0 | 106.7 | P76 V80 | P76-T78 PolarHBondContact O-N 2.94Å; P76-T78 VanDerWaalsContact O-N 3.17Å; T78-V80 PolarHBondContact O-N 3.2Å; T78-V80 VanDerWaalsContact O-N 3.14Å | ||
| 79 | A | 53.3 | Low | 53.3 | Low | 93 Ų | 93 | 115.3 Ų | 115.3 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 119 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | S77 P81 | S77-A79 PolarHBondContact O-N 2.92Å; S77-A79 VanDerWaalsContact O-N 3.16Å; A79-P81 WeakPolarHBondContact O-CD 3.19Å |
| 80 | V | 48.1 | Very low | 53.3 | Low | 128 Ų | 128 | 113.7 Ų | 113.7 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 124.5 | 169.6 | -178.7 | 0 | 0 | 0 | 0 | 106.1 | T78 | T78-V80 PolarHBondContact O-N 3.2Å; T78-V80 VanDerWaalsContact O-N 3.14Å |
| 81 | P | 54.3 | Low | 53.5 | Low | 103 Ų | 103 | 117 Ų | 117 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 133.1 | 176.6 | -22.4 | 30.9 | 0 | 0 | 0 | 108.8 | A79 V83 | A79-P81 WeakPolarHBondContact O-CD 3.19Å; P81-V83 PolarHBondContact O-N 2.92Å; P81-V83 VanDerWaalsContact O-N 3.14Å |
| 82 | P | 57.8 | Low | 54.2 | Low | 119 Ų | 119 | 116.5 Ų | 116.5 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 126.7 | 170.8 | 22.7 | -29.8 | 0 | 0 | 0 | 107.1 | G84 | P82-G84 PolarHBondContact O-N 3.39Š|
| 83 | V | 57.3 | Low | 55.2 | Low | 142 Ų | 142 | 116 Ų | 116 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | trans | -45.5 | 113 | 172.5 | 161.1 | 0 | 0 | 0 | 0 | 106.8 | P81 S85 | P81-V83 PolarHBondContact O-N 2.92Å; P81-V83 VanDerWaalsContact O-N 3.14Å; V83-S85 PolarHBondContact O-N 3.32Å | ||
| 84 | G | 49.6 | Very low | 55.9 | Low | 65 Ų | 65 | 114 Ų | 114 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | trans | -60 | 106.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | P82 E86 | P82-G84 PolarHBondContact O-N 3.39Å; G84-E86 PolarHBondContact O-N 3.28Å | ||
| 85 | S | 57 | Low | 57.2 | Low | 98 Ų | 98 | 110.7 Ų | 110.7 | 69% | 0.685 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -55.7 | 114.4 | 152.8 | 49.1 | 0 | 0 | 0 | 0 | 106.3 | V83 | V83-S85 PolarHBondContact O-N 3.32Š|
| 86 | E | 55.1 | Low | 58.4 | Low | 174 Ų | 174 | 109.8 Ų | 109.8 | 81% | 0.813 | 69% | 0.687 | S | S | * | * | trans | 157.3 | 65.2 | 155.1 | -71 | -32.1 | 88.5 | 0 | 0 | 107.7 | G84 | G84-E86 PolarHBondContact O-N 3.28Š| ||
| 87 | C | 43.9 | Very low | 60 | Low | 84 Ų | 84 | 109.6 Ų | 109.6 | 57% | 0.568 | 68% | 0.679 | S | S | * | * | trans | -143.7 | 76.3 | 158.4 | -168.6 | 0 | 0 | 0 | 0 | 108.3 | D89 T90 | C87-D89 PolarHBondContact O-N 3.14Å; C87-T90 PolarHBondContact O-OG1 3.19Å | ||
| 88 | S | 54.9 | Low | 61.2 | Low | 113 Ų | 113 | 106.3 Ų | 106.3 | 79% | 0.79 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | 123.5 | 160.8 | -54.9 | 0 | 0 | 0 | 0 | 107.3 | ||
| 89 | D | 56.6 | Low | 62.5 | Low | 165 Ų | 165 | 105.2 Ų | 105.2 | 88% | 0.882 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.1 | 25.4 | -179.8 | -50.3 | -31 | 0 | 0 | 0 | 118 | C87 M91 | C87-D89 PolarHBondContact O-N 3.14Å; D89-M91 PolarHBondContact O-N 3.47Å |
| 90 | T | 55.7 | Low | 63.8 | Low | 105 Ų | 105 | 109 Ų | 109 | 64% | 0.644 | 64% | 0.64 | S | S | * | * | trans | -87.2 | 102.6 | 154 | 18.5 | 0 | 0 | 0 | 0 | 109.2 | C87 D92 | C87-T90 PolarHBondContact O-OG1 3.19Å; T90-D92 PolarHBondContact O-N 3.28Å; T90-D92 VanDerWaalsContact O-N 3.13Å | ||
| 91 | M | 63.9 | Low | 65.4 | Low | 147 Ų | 147 | 108.4 Ų | 108.4 | 72% | 0.724 | 63% | 0.627 | S | S | * | * | trans | -49.5 | 121.7 | 166.6 | 55.7 | -178.2 | 168.9 | 0 | 0 | 109 | D89 L93 | D89-M91 PolarHBondContact O-N 3.47Å; M91-L93 VanDerWaalsContact C-N 3.33Å; M91-L93 HydrophobicContact CE-CD2 4.27Å; M91-L93 HydrophobicContact CG-CD2 4.47Å; M91-L93 PolarHBondContact O-N 3.1Å; M91-L93 HydrophobicContact SD-CD2 4.38Å | ||
| 92 | D | 70.6 | Confident | 66.8 | Low | 89 Ų | 89 | 106 Ų | 106 | 48% | 0.476 | 61% | 0.608 | S | S | . | * | trans | -72.5 | 94.9 | 176 | -170.7 | -10.9 | 0 | 0 | 0 | 108.2 | T90 S94 V95 S96 | T90-D92 PolarHBondContact O-N 3.28Å; T90-D92 VanDerWaalsContact O-N 3.13Å; D92-S94 VanDerWaalsContact CG-OG 3.29Å; D92-S94 PolarHBondContact O-N 3.25Å; D92-S94 VanDerWaalsContact O-N 3.15Å; D92-S94 VanDerWaalsContact OD1-CB 3.31Å; D92-S94 WeakPolarHBondContact OD1-CB 3.43Å; D92-S94 PolarHBondContact OD1-N 3.29Å; D92-S94 PolarHBondContact OD1-OG 3.34Å; D92-S94 PolarHBondContact OD2-OG 3.08Å; D92-V95 HydrophobicContact CB-CB 4.18Å; D92-V95 HydrophobicContact CB-CG2 4.01Å; D92-V95 PolarHBondContact O-N 3.26Å; D92-V95 VanDerWaalsContact O-N 3.15Å; D92-V95 VanDerWaalsContact OD2-CG2 3.26Å; D92-V95 WeakPolarHBondContact OD2-CG2 3.34Å; D92-S96 PolarHBondContact O-N 3.2Å; D92-S96 VanDerWaalsContact O-N 3.1Å; D92-S96 PolarHBondContact O-OG 3.42Å | ||
| 93 | L | 72.7 | Confident | 67.8 | Low | 109 Ų | 109 | 108.1 Ų | 108.1 | 57% | 0.571 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -54.4 | -31.7 | 178.8 | -71.2 | 169.6 | 0 | 0 | 0 | 111 | M91 S96 L97 | M91-L93 VanDerWaalsContact C-N 3.33Å; M91-L93 HydrophobicContact CE-CD2 4.27Å; M91-L93 HydrophobicContact CG-CD2 4.47Å; M91-L93 PolarHBondContact O-N 3.1Å; M91-L93 HydrophobicContact SD-CD2 4.38Å; L93-S96 PolarHBondContact O-N 3.4Å; L93-L97 WeakPolarHBondContact O-CB 3.06Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 2.9Å |
| 94 | S | 70.3 | Confident | 69.1 | Low | 74 Ų | 74 | 108 Ų | 108 | 52% | 0.517 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.8 | -43 | -179.5 | 77.5 | 0 | 0 | 0 | 0 | 111.9 | D92 A98 | D92-S94 VanDerWaalsContact CG-OG 3.29Å; D92-S94 PolarHBondContact O-N 3.25Å; D92-S94 VanDerWaalsContact O-N 3.15Å; D92-S94 VanDerWaalsContact OD1-CB 3.31Å; D92-S94 WeakPolarHBondContact OD1-CB 3.43Å; D92-S94 PolarHBondContact OD1-N 3.29Å; D92-S94 PolarHBondContact OD1-OG 3.34Å; D92-S94 PolarHBondContact OD2-OG 3.08Å; S94-A98 WeakPolarHBondContact O-CB 3.29Å; S94-A98 PolarHBondContact O-N 2.72Å |
| 95 | V | 73.1 | Confident | 70.5 | Confident | 69 Ų | 69 | 105.8 Ų | 105.8 | 42% | 0.418 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.9 | -44.5 | 176.4 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | D92 L97 A98 E99 | D92-V95 HydrophobicContact CB-CB 4.18Å; D92-V95 HydrophobicContact CB-CG2 4.01Å; D92-V95 PolarHBondContact O-N 3.26Å; D92-V95 VanDerWaalsContact O-N 3.15Å; D92-V95 VanDerWaalsContact OD2-CG2 3.26Å; D92-V95 WeakPolarHBondContact OD2-CG2 3.34Å; V95-L97 PolarHBondContact O-N 3.23Å; V95-A98 PolarHBondContact O-N 2.99Å; V95-E99 WeakPolarHBondContact O-CG 3.48Å; V95-E99 PolarHBondContact O-N 3.17Å |
| 96 | S | 78.6 | Confident | 71.1 | Confident | 63 Ų | 63 | 106.5 Ų | 106.5 | 44% | 0.441 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.9 | -39.7 | -179.4 | -60.1 | 0 | 0 | 0 | 0 | 112.7 | D92 L93 R100 | D92-S96 PolarHBondContact O-N 3.2Å; D92-S96 VanDerWaalsContact O-N 3.1Å; D92-S96 PolarHBondContact O-OG 3.42Å; L93-S96 PolarHBondContact O-N 3.4Å; S96-R100 WeakPolarHBondContact O-CB 3.43Å; S96-R100 PolarHBondContact O-N 2.67Å; S96-R100 VanDerWaalsContact O-N 3.11Å |
| 97 | L | 80.8 | Confident | 72.3 | Confident | 112 Ų | 112 | 103.2 Ų | 103.2 | 59% | 0.586 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.6 | -41.6 | 176.4 | -71.7 | 173.7 | 0 | 0 | 0 | 111.9 | L93 V95 R100 F101 | L93-L97 WeakPolarHBondContact O-CB 3.06Å; L93-L97 WeakPolarHBondContact O-CG 3.32Å; L93-L97 PolarHBondContact O-N 2.9Å; V95-L97 PolarHBondContact O-N 3.23Å; L97-R100 PolarHBondContact O-N 2.79Å; L97-F101 WeakPolarHBondContact O-CB 3.35Å; L97-F101 PolarHBondContact O-N 2.98Å |
| 98 | A | 79.2 | Confident | 73.6 | Confident | 52 Ų | 52 | 105 Ų | 105 | 43% | 0.43 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.4 | -44 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S94 V95 F101 L102 | S94-A98 WeakPolarHBondContact O-CB 3.29Å; S94-A98 PolarHBondContact O-N 2.72Å; V95-A98 PolarHBondContact O-N 2.99Å; A98-F101 PolarHBondContact O-N 3.16Å; A98-L102 VanDerWaalsContact O-CG 3.32Å; A98-L102 WeakPolarHBondContact O-CG 3.39Å; A98-L102 PolarHBondContact O-N 3.32Å |
| 99 | E | 79.9 | Confident | 74.3 | Confident | 105 Ų | 105 | 108 Ų | 108 | 49% | 0.491 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.3 | -42.2 | 175.7 | -74.2 | -175.4 | -177.7 | 0 | 0 | 112.5 | V95 F101 L102 K103 | V95-E99 WeakPolarHBondContact O-CG 3.48Å; V95-E99 PolarHBondContact O-N 3.17Å; E99-F101 VanDerWaalsContact C-N 3.34Å; E99-L102 PolarHBondContact O-N 3.18Å; E99-K103 WeakPolarHBondContact O-CB 3.42Å; E99-K103 WeakPolarHBondContact O-CG 3.48Å; E99-K103 PolarHBondContact O-N 3.46Å |
| 100 | R | 80.3 | Confident | 74.7 | Confident | 174 Ų | 174 | 104 Ų | 104 | 66% | 0.657 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.2 | -41.2 | 177.2 | -166.6 | 179.7 | -158.9 | 178.7 | 6.2 | 111.4 | S96 L97 K103 L104 | S96-R100 WeakPolarHBondContact O-CB 3.43Å; S96-R100 PolarHBondContact O-N 2.67Å; S96-R100 VanDerWaalsContact O-N 3.11Å; L97-R100 PolarHBondContact O-N 2.79Å; R100-K103 PolarHBondContact O-N 3.04Å; R100-L104 HydrophobicContact CG-CD1 4.37Å; R100-L104 WeakPolarHBondContact O-CG 3.3Å; R100-L104 PolarHBondContact O-N 3.4Å |
| 101 | F | 82.8 | Confident | 75.1 | Confident | 115 Ų | 115 | 104.1 Ų | 104.1 | 50% | 0.504 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.1 | -48.7 | 177 | 179.6 | -95.9 | 0 | 0 | 0 | 111.6 | L97 A98 E99 K103 L104 A105 F108 | L97-F101 WeakPolarHBondContact O-CB 3.35Å; L97-F101 PolarHBondContact O-N 2.98Å; A98-F101 PolarHBondContact O-N 3.16Å; E99-F101 VanDerWaalsContact C-N 3.34Å; F101-K103 VanDerWaalsContact C-N 3.29Å; F101-K103 PolarHBondContact O-N 3.02Å; F101-L104 PolarHBondContact O-N 3.3Å; F101-A105 HydrophobicContact CE1-CB 4.35Å; F101-A105 HydrophobicContact CZ-CB 4.32Å; F101-A105 WeakPolarHBondContact O-CB 3.44Å; F101-A105 PolarHBondContact O-N 3.25Å; F101-F108 HydrophobicContact CE1-CB 4.31Å; F101-F108 HydrophobicContact CE1-CD1 4.4Å; F101-F108 HydrophobicContact CE1-CD2 4.34Å; F101-F108 HydrophobicContact CE1-CG 4.1Å; F101-F108 HydrophobicContact CZ-CD2 4.43Å |
| 102 | L | 82.3 | Confident | 75.3 | Confident | 53 Ų | 53 | 102.4 Ų | 102.4 | 28% | 0.277 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.8 | -32.2 | 179.2 | -68.3 | 171.1 | 0 | 0 | 0 | 112.7 | A98 E99 L104 F108 | A98-L102 VanDerWaalsContact O-CG 3.32Å; A98-L102 WeakPolarHBondContact O-CG 3.39Å; A98-L102 PolarHBondContact O-N 3.32Å; E99-L102 PolarHBondContact O-N 3.18Å; L102-L104 VanDerWaalsContact C-N 3.32Å; L102-L104 PolarHBondContact O-N 3.3Å; L102-F108 HydrophobicContact CD2-CB 4.04Å; L102-F108 WeakPolarHBondContact CD2-O 3.4Å |
| 103 | K | 79.8 | Confident | 74.6 | Confident | 163 Ų | 163 | 106.3 Ų | 106.3 | 71% | 0.709 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.8 | -35.5 | 171.8 | -79.3 | 170.8 | 178.9 | 164 | 0 | 112.9 | E99 R100 F101 | E99-K103 WeakPolarHBondContact O-CB 3.42Å; E99-K103 WeakPolarHBondContact O-CG 3.48Å; E99-K103 PolarHBondContact O-N 3.46Å; R100-K103 PolarHBondContact O-N 3.04Å; F101-K103 VanDerWaalsContact C-N 3.29Å; F101-K103 PolarHBondContact O-N 3.02Å |
| 104 | L | 83.6 | Confident | 74.1 | Confident | 139 Ų | 139 | 107.5 Ų | 107.5 | 73% | 0.728 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -87.8 | -21.2 | -177.8 | -65.1 | 174.2 | 0 | 0 | 0 | 113 | R100 F101 L102 P106 | R100-L104 HydrophobicContact CG-CD1 4.37Å; R100-L104 WeakPolarHBondContact O-CG 3.3Å; R100-L104 PolarHBondContact O-N 3.4Å; F101-L104 PolarHBondContact O-N 3.3Å; L102-L104 VanDerWaalsContact C-N 3.32Å; L102-L104 PolarHBondContact O-N 3.3Å; L104-P106 WeakPolarHBondContact O-CD 3.01Å |
| 105 | A | 78.8 | Confident | 73.5 | Confident | 18 Ų | 18 | 112.7 Ų | 112.7 | 15% | 0.149 | 60% | 0.597 | C | S | . | * | trans | -125.6 | 72.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F101 S107 F108 | F101-A105 HydrophobicContact CE1-CB 4.35Å; F101-A105 HydrophobicContact CZ-CB 4.32Å; F101-A105 WeakPolarHBondContact O-CB 3.44Å; F101-A105 PolarHBondContact O-N 3.25Å; A105-S107 PolarHBondContact O-N 2.74Å; A105-F108 HydrophobicContact CB-CD2 3.65Å; A105-F108 HydrophobicContact CB-CE2 4.28Å; A105-F108 WeakPolarHBondContact O-CB 3.22Å; A105-F108 PolarHBondContact O-N 3.47Å | ||
| 106 | P | 70.8 | Confident | 72.4 | Confident | 113 Ų | 113 | 113 Ų | 113 | 73% | 0.734 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -11.3 | -174.4 | 24.8 | -33.7 | 0 | 0 | 0 | 114.5 | L104 | L104-P106 WeakPolarHBondContact O-CD 3.01Š|
| 107 | S | 78.9 | Confident | 71.1 | Confident | 105 Ų | 105 | 114.8 Ų | 114.8 | 73% | 0.734 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -14.3 | 169.4 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | A105 | A105-S107 PolarHBondContact O-N 2.74Š|
| 108 | F | 71.4 | Confident | 70 | Confident | 121 Ų | 121 | 118 Ų | 118 | 53% | 0.531 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -98.7 | 121.5 | 172.5 | -66.5 | -95.9 | 0 | 0 | 0 | 108.4 | F101 L102 A105 | F101-F108 HydrophobicContact CE1-CB 4.31Å; F101-F108 HydrophobicContact CE1-CD1 4.4Å; F101-F108 HydrophobicContact CE1-CD2 4.34Å; F101-F108 HydrophobicContact CE1-CG 4.1Å; F101-F108 HydrophobicContact CZ-CD2 4.43Å; L102-F108 HydrophobicContact CD2-CB 4.04Å; L102-F108 WeakPolarHBondContact CD2-O 3.4Å; A105-F108 HydrophobicContact CB-CD2 3.65Å; A105-F108 HydrophobicContact CB-CE2 4.28Å; A105-F108 WeakPolarHBondContact O-CB 3.22Å; A105-F108 PolarHBondContact O-N 3.47Å |
| 109 | Q | 69.4 | Low | 68.8 | Low | 177 Ų | 177 | 125.2 Ų | 125.2 | 83% | 0.827 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 144.3 | 170.9 | -66.2 | -177.1 | 2.8 | 0 | 0 | 108.6 | ||
| 110 | S | 65.2 | Low | 67.6 | Low | 80 Ų | 80 | 124 Ų | 124 | 56% | 0.559 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 134.7 | 168 | 45 | 0 | 0 | 0 | 0 | 108.4 | ||
| 111 | P | 64.6 | Low | 66.7 | Low | 109 Ų | 109 | 119.7 Ų | 119.7 | 71% | 0.708 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -52 | 137.6 | 169.3 | -25.2 | 34.1 | 0 | 0 | 0 | 109.3 | H113 | P111-H113 PolarHBondContact O-N 3.38Š|
| 112 | P | 67.8 | Low | 65.5 | Low | 110 Ų | 110 | 119.7 Ų | 119.7 | 71% | 0.714 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 131 | 177.9 | 20.7 | -30.6 | 0 | 0 | 0 | 109.2 | L114 | P112-L114 PolarHBondContact O-N 3.34Š|
| 113 | H | 57 | Low | 64.3 | Low | 171 Ų | 171 | 120.5 Ų | 120.5 | 79% | 0.792 | 65% | 0.653 | S | S | * | * | trans | -59.3 | 104.7 | -178.1 | -175.5 | -94.9 | 0 | 0 | 0 | 109.1 | P111 E115 | P111-H113 PolarHBondContact O-N 3.38Å; H113-E115 PolarHBondContact O-N 3.08Å | ||
| 114 | L | 60.8 | Low | 63.4 | Low | 135 Ų | 135 | 118.3 Ų | 118.3 | 71% | 0.707 | 65% | 0.649 | S | S | * | * | trans | -73.2 | 110 | 174.9 | -66.3 | 176 | 0 | 0 | 0 | 107 | P112 S116 | P112-L114 PolarHBondContact O-N 3.34Å; L114-S116 PolarHBondContact O-N 3.39Å | ||
| 115 | E | 58.3 | Low | 62.4 | Low | 182 Ų | 182 | 117.3 Ų | 117.3 | 85% | 0.85 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -64.3 | 9.7 | -178 | -138.3 | 163.7 | 165.8 | 0 | 0 | 114.4 | H113 | H113-E115 PolarHBondContact O-N 3.08Š|
| 116 | S | 50.8 | Low | 61.5 | Low | 76 Ų | 76 | 123.3 Ų | 123.3 | 53% | 0.531 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -172 | 149.7 | 163 | -104.7 | 0 | 0 | 0 | 0 | 107.9 | L114 K118 | L114-S116 PolarHBondContact O-N 3.39Å; S116-K118 PolarHBondContact O-N 3.46Å |
| 117 | P | 50.9 | Low | 61.2 | Low | 100 Ų | 100 | 122.2 Ų | 122.2 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | trans | -64.8 | 89.3 | 159.4 | 28.8 | -28.7 | 0 | 0 | 0 | 106.2 | Y119 | P117-Y119 PolarHBondContact O-N 3.31Š| ||
| 118 | K | 57.7 | Low | 60.5 | Low | 180 Ų | 180 | 123.6 Ų | 123.6 | 78% | 0.783 | 66% | 0.657 | S | S | * | * | trans | -60.1 | 104.6 | 154.4 | -69.7 | -178.2 | -175.2 | 174.6 | 0 | 102.5 | S116 C120 | S116-K118 PolarHBondContact O-N 3.46Å; K118-C120 PolarHBondContact O-N 3.4Å | ||
| 119 | Y | 54.7 | Low | 60.4 | Low | 203 Ų | 203 | 119 Ų | 119 | 80% | 0.796 | 64% | 0.638 | S | S | * | * | trans | -49.3 | 97.5 | 168.4 | -65.9 | -90.9 | 0 | 0 | 0 | 105.9 | P117 V121 | P117-Y119 PolarHBondContact O-N 3.31Å; Y119-V121 VanDerWaalsContact C-N 3.3Å; Y119-V121 PolarHBondContact O-N 3.06Å | ||
| 120 | C | 54.5 | Low | 60.8 | Low | 80 Ų | 80 | 116.3 Ų | 116.3 | 54% | 0.541 | 62% | 0.621 | S | S | . | * | trans | -66.8 | 104.5 | 167.9 | -64.6 | 0 | 0 | 0 | 0 | 102.7 | K118 I122 L125 | K118-C120 PolarHBondContact O-N 3.4Å; C120-I122 PolarHBondContact O-N 2.85Å; C120-I122 VanDerWaalsContact O-N 3.14Å; C120-L125 HydrophobicContact CB-CD1 4.46Å; C120-L125 HydrophobicContact CB-CD2 4.31Å; C120-L125 HydrophobicContact CB-CG 4.4Å | ||
| 121 | V | 61 | Low | 61.6 | Low | 83 Ų | 83 | 115.6 Ų | 115.6 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | trans | -57.7 | 126.2 | 172.9 | -176.8 | 0 | 0 | 0 | 0 | 104.6 | Y119 A123 D124 | Y119-V121 VanDerWaalsContact C-N 3.3Å; Y119-V121 PolarHBondContact O-N 3.06Å; V121-A123 HydrophobicContact CG1-CB 3.86Å; V121-A123 PolarHBondContact O-N 2.97Å; V121-D124 WeakPolarHBondContact O-CA 3.4Å; V121-D124 WeakPolarHBondContact O-CB 3.31Å; V121-D124 PolarHBondContact O-N 2.92Å | ||
| 122 | I | 57.1 | Low | 62.8 | Low | 116 Ų | 116 | 114 Ų | 114 | 60% | 0.595 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -55.3 | -28.2 | -176.4 | -65.1 | 169.7 | 0 | 0 | 0 | 110.5 | C120 D124 L125 F126 | C120-I122 PolarHBondContact O-N 2.85Å; C120-I122 VanDerWaalsContact O-N 3.14Å; I122-D124 VanDerWaalsContact C-N 3.28Å; I122-D124 PolarHBondContact O-N 2.06Å; I122-L125 WeakPolarHBondContact O-CB 3.2Å; I122-L125 PolarHBondContact O-N 2.77Å; I122-L125 VanDerWaalsContact O-N 3.12Å; I122-F126 HydrophobicContact CG2-CD2 3.67Å; I122-F126 HydrophobicContact CG2-CE2 3.43Å; I122-F126 VanDerWaalsContact CG2-CE2 3.43Å; I122-F126 VanDerWaalsContact O-CD2 3.23Å; I122-F126 WeakPolarHBondContact O-CD2 3.01Å; I122-F126 PolarHBondContact O-N 2.84Å |
| 123 | A | 57.4 | Low | 63.9 | Low | 69 Ų | 69 | 114.6 Ų | 114.6 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.5 | -27.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V121 L125 F126 | V121-A123 HydrophobicContact CG1-CB 3.86Å; V121-A123 PolarHBondContact O-N 2.97Å; A123-L125 VanDerWaalsContact C-N 3.34Å; A123-F126 CarbonylContact O-C 3.5Å; A123-F126 VanDerWaalsContact O-O 3.08Å |
| 124 | D | 60.3 | Low | 65.6 | Low | 118 Ų | 118 | 114.6 Ų | 114.6 | 63% | 0.631 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -80.1 | -19.9 | 175.3 | -59.3 | -27.5 | 0 | 0 | 0 | 112 | V121 I122 | V121-D124 WeakPolarHBondContact O-CA 3.4Å; V121-D124 WeakPolarHBondContact O-CB 3.31Å; V121-D124 PolarHBondContact O-N 2.92Å; I122-D124 VanDerWaalsContact C-N 3.28Å; I122-D124 PolarHBondContact O-N 2.06Å |
| 125 | L | 64.1 | Low | 67 | Low | 118 Ų | 118 | 111.5 Ų | 111.5 | 62% | 0.618 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -80.9 | -31.7 | 173.6 | -59.7 | 174.6 | 0 | 0 | 0 | 111.5 | C120 I122 A123 | C120-L125 HydrophobicContact CB-CD1 4.46Å; C120-L125 HydrophobicContact CB-CD2 4.31Å; C120-L125 HydrophobicContact CB-CG 4.4Å; I122-L125 WeakPolarHBondContact O-CB 3.2Å; I122-L125 PolarHBondContact O-N 2.77Å; I122-L125 VanDerWaalsContact O-N 3.12Å; A123-L125 VanDerWaalsContact C-N 3.34Å |
| 126 | F | 58.9 | Low | 68.4 | Low | 143 Ų | 143 | 110.5 Ų | 110.5 | 63% | 0.627 | 57% | 0.567 | S | S | * | * | trans | -100.5 | 82.5 | 174.5 | -61.7 | -70.5 | 0 | 0 | 0 | 109.9 | I122 A123 D128 | I122-F126 HydrophobicContact CG2-CD2 3.67Å; I122-F126 HydrophobicContact CG2-CE2 3.43Å; I122-F126 VanDerWaalsContact CG2-CE2 3.43Å; I122-F126 VanDerWaalsContact O-CD2 3.23Å; I122-F126 WeakPolarHBondContact O-CD2 3.01Å; I122-F126 PolarHBondContact O-N 2.84Å; A123-F126 CarbonylContact O-C 3.5Å; A123-F126 VanDerWaalsContact O-O 3.08Å; F126-D128 VanDerWaalsContact C-N 3.29Å; F126-D128 PolarHBondContact O-N 3.37Å | ||
| 127 | V | 64.6 | Low | 70.2 | Confident | 90 Ų | 90 | 109.3 Ų | 109.3 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | trans | -68.2 | 98.8 | 162.5 | -162.2 | 0 | 0 | 0 | 0 | 106.4 | D129 | V127-D129 HydrophobicContact CB-CB 4.32Å; V127-D129 HydrophobicContact CG1-CB 3.69Å; V127-D129 VanDerWaalsContact CG1-OD2 3.22Å; V127-D129 WeakPolarHBondContact CG1-OD2 3.49Å; V127-D129 PolarHBondContact O-N 3.16Å | ||
| 128 | D | 63.1 | Low | 71.7 | Confident | 134 Ų | 134 | 111.9 Ų | 111.9 | 72% | 0.717 | 57% | 0.567 | S | S | * | * | trans | -68.8 | 61.7 | 166.1 | -80.8 | -33.4 | 0 | 0 | 0 | 108.8 | F126 Y130 | F126-D128 VanDerWaalsContact C-N 3.29Å; F126-D128 PolarHBondContact O-N 3.37Å; D128-Y130 PolarHBondContact O-N 3.14Å | ||
| 129 | D | 69.7 | Low | 73.4 | Confident | 26 Ų | 26 | 108.8 Ų | 108.8 | 14% | 0.139 | 56% | 0.557 | C | S | . | * | trans | -79.2 | 35.5 | -178.7 | -112.3 | -14.6 | 0 | 0 | 0 | 109.4 | V127 Q143 R144 | V127-D129 HydrophobicContact CB-CB 4.32Å; V127-D129 HydrophobicContact CG1-CB 3.69Å; V127-D129 VanDerWaalsContact CG1-OD2 3.22Å; V127-D129 WeakPolarHBondContact CG1-OD2 3.49Å; V127-D129 PolarHBondContact O-N 3.16Å; D129-Q143 CarbonylContact O-C 3.53Å; D129-R144 HydrophobicContact CB-CB 4.12Å; D129-R144 WeakPolarHBondContact O-CA 3.34Å; D129-R144 WeakPolarHBondContact O-CB 3.18Å; D129-R144 PolarHBondContact O-N 3.28Å; D129-R144 IonicContact OD1-CZ 3.7Å; D129-R144 IonicContact OD1-NH1 2.76Å; D129-R144 PolarHBondContact OD1-NH1 2.9Å | ||
| 130 | Y | 78.6 | Confident | 75.1 | Confident | 119 Ų | 119 | 101.1 Ų | 101.1 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 131.6 | 178.7 | -64.6 | -88.5 | 0 | 0 | 0 | 110.1 | D128 V142 Q143 | D128-Y130 PolarHBondContact O-N 3.14Å; Y130-V142 CarbonylContact C-O 3.51Å; Y130-V142 WeakPolarHBondContact CA-O 3.39Å; Y130-Q143 HydrophobicContact CD1-CB 4.11Å; Y130-Q143 HydrophobicContact CE1-CB 3.86Å; Y130-Q143 HydrophobicContact CE1-CG 4.34Å |
| 131 | I | 82.1 | Confident | 76.8 | Confident | 66 Ų | 66 | 106 Ų | 106 | 34% | 0.338 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 144.1 | 169.4 | 63.1 | 172.8 | 0 | 0 | 0 | 109.6 | K133 V142 R144 | I131-K133 PolarHBondContact O-N 2.92Å; I131-V142 HydrophobicContact CD1-CG2 4.13Å; I131-V142 HydrophobicContact CG1-CG2 3.52Å; I131-V142 PolarHBondContact N-O 3.19Å; I131-V142 WeakPolarHBondContact O-CG2 3.05Å; I131-V142 PolarHBondContact O-N 3.24Å; I131-R144 HydrophobicContact CG2-CB 4.27Å |
| 132 | V | 89.6 | Confident | 78.1 | Confident | 76 Ų | 76 | 104 Ų | 104 | 46% | 0.461 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 113.2 | 173.4 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | M139 C140 Y141 | V132-M139 HydrophobicContact CG1-CB 4.03Å; V132-M139 HydrophobicContact CG1-CE 3.4Å; V132-M139 HydrophobicContact CG1-SD 4.4Å; V132-C140 CarbonylContact C-O 3.6Å; V132-C140 WeakPolarHBondContact CA-O 3.45Å; V132-Y141 HydrophobicContact CG2-CD1 3.78Å; V132-Y141 HydrophobicContact CG2-CE1 3.52Å |
| 133 | K | 91 | Very high | 79.4 | Confident | 122 Ų | 122 | 104.7 Ų | 104.7 | 53% | 0.53 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.7 | 176.9 | -169.3 | 172.3 | -179.1 | 176.3 | 0 | 110.2 | I131 I135 C140 V142 | I131-K133 PolarHBondContact O-N 2.92Å; K133-I135 HydrophobicContact CG-CG1 4.27Å; K133-I135 PolarHBondContact O-N 3.45Å; K133-C140 PolarHBondContact N-O 3.43Å; K133-C140 PolarHBondContact O-N 3Å; K133-V142 HydrophobicContact CB-CG1 4.45Å; K133-V142 HydrophobicContact CB-CG2 3.65Å; K133-V142 HydrophobicContact CD-CG2 4.24Å |
| 134 | R | 93.1 | Very high | 80.4 | Confident | 170 Ų | 170 | 107.1 Ų | 107.1 | 64% | 0.642 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 112.7 | 172.6 | -173.5 | 168.9 | -79 | -124.9 | -0.9 | 109.4 | G137 K138 M139 | R134-G137 PolarHBondContact NH1-O 3.09Å; R134-K138 CarbonylContact C-O 3.6Å; R134-K138 VanDerWaalsContact CA-O 3.27Å; R134-K138 WeakPolarHBondContact CA-O 3.43Å; R134-M139 HydrophobicContact CB-SD 4.05Å; R134-M139 HydrophobicContact CG-SD 4.36Å |
| 135 | I | 90.3 | Very high | 80.9 | Confident | 70 Ų | 70 | 106.7 Ų | 106.7 | 36% | 0.359 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.1 | 177.4 | -54.5 | 177.2 | 0 | 0 | 0 | 107.4 | K133 G137 K138 C140 V142 | K133-I135 HydrophobicContact CG-CG1 4.27Å; K133-I135 PolarHBondContact O-N 3.45Å; I135-G137 PolarHBondContact O-N 3.41Å; I135-K138 PolarHBondContact N-O 3.19Å; I135-K138 PolarHBondContact O-N 3.45Å; I135-C140 HydrophobicContact CD1-CB 3.92Å; I135-C140 HydrophobicContact CG1-CB 4.28Å; I135-V142 HydrophobicContact CD1-CG1 3.87Å |
| 136 | N | 86.3 | Confident | 81 | Confident | 162 Ų | 162 | 107.4 Ų | 107.4 | 87% | 0.866 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 38.8 | -177.4 | -60.6 | -23.2 | 0 | 0 | 0 | 113.8 | K138 | N136-K138 PolarHBondContact O-N 3.21Š|
| 137 | G | 90.3 | Very high | 81.6 | Confident | 50 Ų | 50 | 105.2 Ų | 105.2 | 52% | 0.515 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | -6.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R134 I135 | R134-G137 PolarHBondContact NH1-O 3.09Å; I135-G137 PolarHBondContact O-N 3.41Å |
| 138 | K | 81.1 | Confident | 81.7 | Confident | 155 Ų | 155 | 106.9 Ų | 106.9 | 67% | 0.674 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 144.1 | 175.7 | -62.2 | -177.3 | -179.3 | -179.7 | 0 | 110.6 | R134 I135 N136 | R134-K138 CarbonylContact C-O 3.6Å; R134-K138 VanDerWaalsContact CA-O 3.27Å; R134-K138 WeakPolarHBondContact CA-O 3.43Å; I135-K138 PolarHBondContact N-O 3.19Å; I135-K138 PolarHBondContact O-N 3.45Å; N136-K138 PolarHBondContact O-N 3.21Å |
| 139 | M | 93.2 | Very high | 81.8 | Confident | 114 Ų | 114 | 107.8 Ų | 107.8 | 56% | 0.562 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 121 | 174.4 | -59.1 | -61.4 | -84.2 | 0 | 0 | 108.4 | V132 R134 | V132-M139 HydrophobicContact CG1-CB 4.03Å; V132-M139 HydrophobicContact CG1-CE 3.4Å; V132-M139 HydrophobicContact CG1-SD 4.4Å; R134-M139 HydrophobicContact CB-SD 4.05Å; R134-M139 HydrophobicContact CG-SD 4.36Å |
| 140 | C | 90.9 | Very high | 81.8 | Confident | 43 Ų | 43 | 112 Ų | 112 | 29% | 0.291 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.9 | -179.9 | -61.3 | 0 | 0 | 0 | 0 | 109.1 | V132 K133 I135 V142 | V132-C140 CarbonylContact C-O 3.6Å; V132-C140 WeakPolarHBondContact CA-O 3.45Å; K133-C140 PolarHBondContact N-O 3.43Å; K133-C140 PolarHBondContact O-N 3Å; I135-C140 HydrophobicContact CD1-CB 3.92Å; I135-C140 HydrophobicContact CG1-CB 4.28Å; C140-V142 HydrophobicContact CB-CG1 4.39Å |
| 141 | Y | 90.3 | Very high | 81 | Confident | 183 Ų | 183 | 112.6 Ų | 112.6 | 72% | 0.718 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.4 | 118.8 | 166.8 | -63.4 | -83.7 | 0 | 0 | 0 | 107.7 | V132 | V132-Y141 HydrophobicContact CG2-CD1 3.78Å; V132-Y141 HydrophobicContact CG2-CE1 3.52Å |
| 142 | V | 87.8 | Confident | 80.5 | Confident | 39 Ų | 39 | 114.1 Ų | 114.1 | 24% | 0.236 | 60% | 0.598 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.1 | 138.1 | 177.4 | -63.4 | 0 | 0 | 0 | 0 | 109.4 | Y130 I131 K133 I135 C140 R144 | Y130-V142 CarbonylContact C-O 3.51Å; Y130-V142 WeakPolarHBondContact CA-O 3.39Å; I131-V142 HydrophobicContact CD1-CG2 4.13Å; I131-V142 HydrophobicContact CG1-CG2 3.52Å; I131-V142 PolarHBondContact N-O 3.19Å; I131-V142 WeakPolarHBondContact O-CG2 3.05Å; I131-V142 PolarHBondContact O-N 3.24Å; K133-V142 HydrophobicContact CB-CG1 4.45Å; K133-V142 HydrophobicContact CB-CG2 3.65Å; K133-V142 HydrophobicContact CD-CG2 4.24Å; I135-V142 HydrophobicContact CD1-CG1 3.87Å; C140-V142 HydrophobicContact CB-CG1 4.39Å; V142-R144 PolarHBondContact O-N 2.89Å |
| 143 | Q | 84.6 | Confident | 79.3 | Confident | 132 Ų | 132 | 116.5 Ų | 116.5 | 62% | 0.617 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -62.8 | 128.8 | 178 | -165.8 | 174.4 | 4.4 | 0 | 0 | 109.5 | D129 Y130 | D129-Q143 CarbonylContact O-C 3.53Å; Y130-Q143 HydrophobicContact CD1-CB 4.11Å; Y130-Q143 HydrophobicContact CE1-CB 3.86Å; Y130-Q143 HydrophobicContact CE1-CG 4.34Å |
| 144 | R | 77.9 | Confident | 78 | Confident | 120 Ų | 120 | 120 Ų | 120 | 45% | 0.453 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -64 | 130.3 | 172.8 | -175 | -176.9 | -74.1 | 148.9 | -6.4 | 106.5 | D129 I131 V142 L146 | D129-R144 HydrophobicContact CB-CB 4.12Å; D129-R144 WeakPolarHBondContact O-CA 3.34Å; D129-R144 WeakPolarHBondContact O-CB 3.18Å; D129-R144 PolarHBondContact O-N 3.28Å; D129-R144 IonicContact OD1-CZ 3.7Å; D129-R144 IonicContact OD1-NH1 2.76Å; D129-R144 PolarHBondContact OD1-NH1 2.9Å; I131-R144 HydrophobicContact CG2-CB 4.27Å; V142-R144 PolarHBondContact O-N 2.89Å; R144-L146 PolarHBondContact O-N 2.95Å |
| 145 | P | 72.4 | Confident | 76.6 | Confident | 108 Ų | 108 | 117.3 Ų | 117.3 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131.1 | 170.7 | -22.7 | 33.2 | 0 | 0 | 0 | 109.5 | ||
| 146 | L | 66.4 | Low | 75.2 | Confident | 134 Ų | 134 | 119.9 Ų | 119.9 | 70% | 0.702 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 136 | 175.7 | -126.9 | 74 | 0 | 0 | 0 | 108.8 | R144 | R144-L146 PolarHBondContact O-N 2.95Š|
| 147 | P | 70 | Confident | 73.9 | Confident | 97 Ų | 97 | 117.1 Ų | 117.1 | 63% | 0.63 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 139.6 | 171.9 | 20.4 | -31 | 0 | 0 | 0 | 109.6 | L149 | P147-L149 PolarHBondContact O-N 3.33Å; P147-L149 VanDerWaalsContact O-N 3.14Å |
| 148 | P | 67.7 | Low | 72.3 | Confident | 124 Ų | 124 | 120.3 Ų | 120.3 | 81% | 0.805 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 124 | 179.2 | 21.6 | -30.2 | 0 | 0 | 0 | 109 | ||
| 149 | L | 65 | Low | 71.3 | Confident | 153 Ų | 153 | 121.6 Ų | 121.6 | 80% | 0.801 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 138.6 | 174.4 | -159.6 | 82.7 | 0 | 0 | 0 | 108.4 | P147 E151 | P147-L149 PolarHBondContact O-N 3.33Å; P147-L149 VanDerWaalsContact O-N 3.14Å; L149-E151 PolarHBondContact O-N 2.79Å; L149-E151 VanDerWaalsContact O-N 3.11Å |
| 150 | P | 69.2 | Low | 69.8 | Low | 114 Ų | 114 | 121.6 Ų | 121.6 | 74% | 0.74 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 122.2 | 171.1 | -24.6 | 32.2 | 0 | 0 | 0 | 109.7 | ||
| 151 | E | 62.6 | Low | 68.2 | Low | 133 Ų | 133 | 125.6 Ų | 125.6 | 62% | 0.621 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 127.4 | 178.7 | -167.8 | 160 | 120.8 | 0 | 0 | 108.2 | L149 R154 | L149-E151 PolarHBondContact O-N 2.79Å; L149-E151 VanDerWaalsContact O-N 3.11Å; E151-R154 IonicContact OE1-CZ 3.3Å; E151-R154 VanDerWaalsContact OE1-CZ 3.3Å; E151-R154 IonicContact OE1-NE 2.9Å; E151-R154 PolarHBondContact OE1-NE 3.49Å; E151-R154 IonicContact OE1-NH2 2.81Å; E151-R154 PolarHBondContact OE1-NH2 3.46Å |
| 152 | P | 70.8 | Confident | 66.5 | Low | 97 Ų | 97 | 121.1 Ų | 121.1 | 63% | 0.63 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 143.4 | 175.3 | 20.1 | -29.8 | 0 | 0 | 0 | 109.2 | R154 | P152-R154 PolarHBondContact O-N 3.33Š|
| 153 | P | 64.6 | Low | 64.7 | Low | 127 Ų | 127 | 125.2 Ų | 125.2 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 119 | -180 | 19.8 | -29.7 | 0 | 0 | 0 | 109 | ||
| 154 | R | 64 | Low | 63 | Low | 195 Ų | 195 | 123.4 Ų | 123.4 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 134 | 178.6 | -67.3 | -179.4 | -168 | 175 | 4.4 | 108.5 | E151 P152 | E151-R154 IonicContact OE1-CZ 3.3Å; E151-R154 VanDerWaalsContact OE1-CZ 3.3Å; E151-R154 IonicContact OE1-NE 2.9Å; E151-R154 PolarHBondContact OE1-NE 3.49Å; E151-R154 IonicContact OE1-NH2 2.81Å; E151-R154 PolarHBondContact OE1-NH2 3.46Å; P152-R154 PolarHBondContact O-N 3.33Å |
| 155 | P | 64.3 | Low | 61.7 | Low | 113 Ų | 113 | 123.9 Ų | 123.9 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 146.2 | 169.2 | 23.7 | -30.9 | 0 | 0 | 0 | 109.2 | S157 | P155-S157 PolarHBondContact O-N 2.98Å; P155-S157 VanDerWaalsContact O-N 3.14Å |
| 156 | P | 60 | Low | 60.4 | Low | 125 Ų | 125 | 124.6 Ų | 124.6 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 123.7 | -179.9 | 22.8 | -31.4 | 0 | 0 | 0 | 109.3 | ||
| 157 | S | 60.1 | Low | 59.2 | Low | 103 Ų | 103 | 127.5 Ų | 127.5 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 134.9 | 173.1 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | P155 Q159 | P155-S157 PolarHBondContact O-N 2.98Å; P155-S157 VanDerWaalsContact O-N 3.14Å; S157-Q159 PolarHBondContact O-N 3Å |
| 158 | P | 56.1 | Low | 58 | Low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 122.3 | 170.9 | -17.3 | 28.8 | 0 | 0 | 0 | 108.7 | ||
| 159 | Q | 59.4 | Low | 56.8 | Low | 181 Ų | 181 | 130.6 Ų | 130.6 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 136.4 | 174.6 | -67.8 | -174.8 | -39.6 | 0 | 0 | 109.5 | S157 | S157-Q159 PolarHBondContact O-N 3Š|
| 160 | P | 61.2 | Low | 56.2 | Low | 115 Ų | 115 | 129.2 Ų | 129.2 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 142 | 171.1 | 25.2 | -30.1 | 0 | 0 | 0 | 109.2 | A162 | P160-A162 PolarHBondContact O-N 3.48Š|
| 161 | P | 58.2 | Low | 54.7 | Low | 127 Ų | 127 | 131.1 Ų | 131.1 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 138 | 178.2 | 23.8 | -31 | 0 | 0 | 0 | 110 | ||
| 162 | A | 54.3 | Low | 54 | Low | 89 Ų | 89 | 129.2 Ų | 129.2 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 139.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | P160 A164 | P160-A162 PolarHBondContact O-N 3.48Å; A162-A164 PolarHBondContact O-N 3Å |
| 163 | P | 49.3 | Very low | 52.3 | Low | 124 Ų | 124 | 130.1 Ų | 130.1 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 126.4 | 175.4 | 24.4 | -29.7 | 0 | 0 | 0 | 109.5 | T165 | P163-T165 PolarHBondContact O-N 3.39Š|
| 164 | A | 50.4 | Low | 51.5 | Low | 94 Ų | 94 | 129.7 Ų | 129.7 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 122.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | A162 | A162-A164 PolarHBondContact O-N 3Š|
| 165 | T | 50.5 | Low | 50.9 | Low | 130 Ų | 130 | 125.8 Ų | 125.8 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -56 | 125.6 | 171.3 | 33.9 | 0 | 0 | 0 | 0 | 110.7 | P163 Q167 | P163-T165 PolarHBondContact O-N 3.39Å; T165-Q167 PolarHBondContact O-N 3.12Å |
| 166 | P | 44.6 | Very low | 49.3 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 123.4 | 167.8 | -9.9 | 25.6 | 0 | 0 | 0 | 109.3 | ||
| 167 | Q | 42.1 | Very low | 48.1 | Very low | 195 Ų | 195 | 131.9 Ų | 131.9 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 129.8 | 165.5 | -71.5 | -177.8 | -7.6 | 0 | 0 | 109.2 | T165 | T165-Q167 PolarHBondContact O-N 3.12Š|
| 168 | M | 43.1 | Very low | 47.5 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 86% | 0.862 | 79% | 0.788 | S | S | * | * | trans | -104.7 | 144.4 | 163 | -101.4 | -173.4 | 69.7 | 0 | 0 | 109.9 | ||||
| 169 | P | 42.6 | Very low | 46.4 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -79.2 | 160.4 | 178.8 | 33.1 | -32.6 | 0 | 0 | 0 | 111.8 | ||||
| 170 | P | 52.9 | Low | 45.1 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -96 | 138.3 | -170.9 | 35.7 | -29.3 | 0 | 0 | 0 | 111.8 | ||||
| 171 | N | 38.3 | Very low | 44.4 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -176.4 | 173.8 | 135.6 | -131.8 | 1.5 | 0 | 0 | 0 | 112.8 | ||||
| 172 | P | 46.9 | Very low | 43.2 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 60% | 0.604 | 79% | 0.791 | S | S | * | * | -125.6 | 164.3 | -105.6 | 41.9 | -24 | 0 | 0 | 0 | 115.4 | |||||
| 173 | S | 35.3 | Very low | 42.3 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 76.1 | 150.4 | 148.4 | -53.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 174 | P | 49 | Very low | 41.6 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -109.8 | -166 | -154 | 44.6 | -30.7 | 0 | 0 | 0 | 112.1 | ||||
| 175 | P | 49.8 | Very low | 40.8 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | -129.4 | 176.7 | 15.1 | 30.5 | -3.8 | 0 | 0 | 0 | 113 | ||||
| 176 | E | 31.8 | Very low | 40.3 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | -174.5 | 154.2 | 70 | -78.6 | -174.6 | 87.8 | 0 | 0 | 109.9 | |||||
| 177 | Q | 35.3 | Very low | 39.7 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -86.7 | -179 | 165.4 | -64.5 | -160.9 | -22.6 | 0 | 0 | 109.8 | ||||
| 178 | P | 46.1 | Very low | 40.2 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | cis | -146.3 | -173.1 | 12.2 | 29.8 | -2.2 | 0 | 0 | 0 | 117.5 | ||||
| 179 | V | 33.4 | Very low | 40.3 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | 103.5 | 126.3 | 149.5 | -159.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 180 | S | 31.8 | Very low | 39.9 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -85.7 | -164.4 | -174.2 | -21.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 181 | P | 46.5 | Very low | 39.6 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | cis | -136.3 | -171.9 | -26.6 | 33.5 | -12.6 | 0 | 0 | 0 | 113.9 | ||||
| 182 | K | 32.8 | Very low | 39.5 | Very low | 211 Ų | 211 | 135.2 Ų | 135.2 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | 103.2 | 135.6 | 153 | -89.7 | 179.3 | 173.7 | 179.1 | 0 | 119.9 | ||||
| 183 | R | 35.7 | Very low | 39.4 | Very low | 219 Ų | 219 | 135.7 Ų | 135.7 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -101.8 | 163.3 | -166.1 | -82.7 | 179.8 | 165.4 | -153.1 | -2.4 | 113.1 | ||||
| 184 | Q | 33.6 | Very low | 39.2 | Very low | 177 Ų | 177 | 139.6 Ų | 139.6 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | 74.6 | 139.9 | 154.4 | -77 | 163.4 | -14.9 | 0 | 0 | 115.9 | ||||
| 185 | A | 34.6 | Very low | 38.4 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | cis | -158.6 | -175.4 | 20.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 186 | P | 40.7 | Very low | 37.6 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | trans | -98.8 | 172 | -153.5 | 40.2 | -37.3 | 0 | 0 | 0 | 116.6 | ||||
| 187 | A | 31.9 | Very low | 37.7 | Very low | 90 Ų | 90 | 142.6 Ų | 142.6 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -133 | 179.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 188 | P | 52.3 | Low | 37.5 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | cis | -125.1 | -167.9 | -41.9 | 30.5 | -9.4 | 0 | 0 | 0 | 110.3 | ||||
| 189 | P | 45.9 | Very low | 37 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | -159.1 | 151.8 | 116.2 | 37 | -18.4 | 0 | 0 | 0 | 117.5 | |||||
| 190 | V | 32.6 | Very low | 36.9 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -168.2 | 163.4 | 147 | -161.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 191 | P | 47.1 | Very low | 37.2 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | cis | -120 | 155 | -10.1 | 5.8 | 21.4 | 0 | 0 | 0 | 115.2 | ||||
| 192 | Q | 36.3 | Very low | 36.6 | Very low | 169 Ų | 169 | 148.2 Ų | 148.2 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | 59.2 | 145.9 | 92.8 | -69.6 | -82.1 | -35.2 | 0 | 0 | 115.3 | |||||
| 193 | P | 45.7 | Very low | 36.9 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | -155.3 | 168.8 | 52.1 | 35.4 | -9.4 | 0 | 0 | 0 | 121.1 | |||||
| 194 | Y | 30.5 | Very low | 36.9 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 52.2 | 133.5 | 143.5 | 93.7 | -69.7 | 0 | 0 | 0 | 123.5 | ||||
| 195 | S | 30.9 | Very low | 37.1 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | -167.7 | 146.1 | 79.7 | 37.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 196 | E | 33.7 | Very low | 37.3 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -102.3 | 155.4 | 172.5 | -72.9 | 178.9 | 76.6 | 0 | 0 | 111.9 | ||||
| 197 | Q | 33.4 | Very low | 37 | Very low | 183 Ų | 183 | 149.5 Ų | 149.5 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -166 | 114.6 | 133.8 | -111.4 | 173.4 | -12.3 | 0 | 0 | 116.1 | ||||
| 198 | K | 32.8 | Very low | 37.5 | Very low | 203 Ų | 203 | 148.2 Ų | 148.2 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | 71.1 | 133.3 | 135.5 | -81.6 | -175.6 | 177.4 | -174.8 | 0 | 124.9 | ||||
| 199 | H | 35.2 | Very low | 37.2 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -90.5 | 152.7 | 179.8 | -145.1 | -124.5 | 0 | 0 | 0 | 111.7 | ||||
| 200 | L | 31.9 | Very low | 37 | Very low | 173 Ų | 173 | 152.2 Ų | 152.2 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -164 | 136.2 | 139 | -128.5 | 85.9 | 0 | 0 | 0 | 112 | ||||
| 201 | S | 37.2 | Very low | 37.9 | Very low | 96 Ų | 96 | 153.5 Ų | 153.5 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | -112 | 136.7 | -177.5 | 52 | 0 | 0 | 0 | 0 | 111 | ||||
| 202 | T | 34.9 | Very low | 37.9 | Very low | 128 Ų | 128 | 154.6 Ų | 154.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -140.1 | 121.2 | 164.1 | -45.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 203 | V | 38.7 | Very low | 38.6 | Very low | 140 Ų | 140 | 154.1 Ų | 154.1 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -83.3 | 126.3 | 166.5 | 149.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 204 | E | 35.1 | Very low | 38.4 | Very low | 182 Ų | 182 | 155.1 Ų | 155.1 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -141.1 | 136.2 | 155.7 | -95.3 | -165 | 114.2 | 0 | 0 | 112.2 | ||||
| 205 | K | 38 | Very low | 38.9 | Very low | 188 Ų | 188 | 151.4 Ų | 151.4 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | trans | -87.7 | 144 | -178.5 | -176.8 | 174.4 | -177.4 | 178.2 | 0 | 107.1 | ||||
| 206 | L | 38 | Very low | 39.4 | Very low | 153 Ų | 153 | 151.7 Ų | 151.7 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | trans | 169.5 | 129.9 | 136.3 | -88.8 | 159.6 | 0 | 0 | 0 | 114.7 | ||||
| 207 | K | 34.5 | Very low | 39.9 | Very low | 194 Ų | 194 | 148.6 Ų | 148.6 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 73.7 | 105.8 | 140.9 | -143.2 | 120.7 | 79.8 | -178.6 | 0 | 119.8 | ||||
| 208 | G | 43 | Very low | 40.1 | Very low | 62 Ų | 62 | 145.9 Ų | 145.9 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 167.8 | 170 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 209 | P | 45.8 | Very low | 40.4 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 135.4 | -178.5 | -12.8 | 29.4 | 0 | 0 | 0 | 112.2 | ||
| 210 | K | 42.2 | Very low | 41.1 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 131.7 | 178.8 | -154.7 | 169.8 | -177.8 | 174.3 | 0 | 109.3 | ||
| 211 | M | 51.1 | Low | 41.8 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 129.7 | 170 | 103.6 | 171.3 | 88.5 | 0 | 0 | 107.6 | ||
| 212 | D | 48 | Very low | 42.3 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -125.5 | 144.6 | 171.3 | -77.3 | -65.1 | 0 | 0 | 0 | 110.1 | ||||
| 213 | H | 49.2 | Very low | 43.2 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -81.6 | 158.3 | -152.8 | -70.2 | -95.7 | 0 | 0 | 0 | 115 | ||||
| 214 | C | 42.2 | Very low | 43.2 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -43.1 | 140.5 | 168.6 | -52.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 215 | S | 40.3 | Very low | 43.5 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -150.1 | 106.1 | 152.9 | -74.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 216 | S | 42 | Very low | 43.5 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -72.5 | 147.1 | 162.5 | -52.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 217 | P | 45.1 | Very low | 43.5 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -108.3 | 118.6 | 146.4 | 30.1 | -18.5 | 0 | 0 | 0 | 109.5 | ||||
| 218 | S | 36.8 | Very low | 43.8 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -72.2 | 127.9 | 149 | -72.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 219 | S | 40.2 | Very low | 43.4 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -151.8 | 139 | 143.7 | -163.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 220 | S | 48.7 | Very low | 43 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | -80.2 | 140.7 | -177.4 | 45.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 221 | E | 46.8 | Very low | 42.8 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -142.2 | 90.8 | 153.6 | -64.1 | -177.1 | 98.4 | 0 | 0 | 104.7 | ||||
| 222 | D | 47 | Very low | 42.1 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | 31.4 | 98.9 | 95.8 | -163.8 | 48.3 | 0 | 0 | 0 | 113.3 | |||||
| 223 | S | 55.5 | Low | 42 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -138.7 | 96.2 | 158.4 | -81.4 | 0 | 0 | 0 | 0 | 107.2 | I225 | S223-I225 PolarHBondContact O-N 2.9Š| ||
| 224 | G | 37.9 | Very low | 41.6 | Very low | 64 Ų | 64 | 131.8 Ų | 131.8 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | trans | -57 | 128.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | N226 | G224-N226 PolarHBondContact O-N 3.37Š| ||
| 225 | I | 40.9 | Very low | 41.8 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -76.6 | 112.4 | 166.7 | 49.7 | 152 | 0 | 0 | 0 | 108.8 | S223 | S223-I225 PolarHBondContact O-N 2.9Š| ||
| 226 | N | 37.8 | Very low | 41.7 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -100.1 | 108.3 | 169.5 | -93.6 | 7.3 | 0 | 0 | 0 | 110.6 | G224 | G224-N226 PolarHBondContact O-N 3.37Š| ||
| 227 | A | 39.5 | Very low | 41.4 | Very low | 79 Ų | 79 | 134 Ų | 134 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | 61.3 | 143.5 | 127.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 228 | L | 39.3 | Very low | 41.2 | Very low | 179 Ų | 179 | 137 Ų | 137 | 94% | 0.937 | 78% | 0.782 | S | S | * | * | trans | 83.2 | 125.4 | 159 | -40.5 | -178.3 | 0 | 0 | 0 | 115.1 | ||||
| 229 | G | 34.8 | Very low | 41.2 | Very low | 66 Ų | 66 | 134.5 Ų | 134.5 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | cis | 175.6 | 156.7 | 1.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 230 | L | 37.2 | Very low | 41.1 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | 55.3 | 111.7 | 147.3 | -49.7 | 175.5 | 0 | 0 | 0 | 118.6 | ||||
| 231 | H | 37.8 | Very low | 40.7 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | -177.5 | 122.4 | 86.7 | -146.2 | -93.9 | 0 | 0 | 0 | 110.4 | |||||
| 232 | Y | 36.2 | Very low | 40.3 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 70% | 0.698 | 77% | 0.773 | S | S | * | * | trans | -87.2 | 131.6 | 168.6 | 174.2 | -97.6 | 0 | 0 | 0 | 107.6 | E234 | Y232-E234 HydrophobicContact CE1-CB 4.46Å; Y232-E234 HydrophobicContact CE2-CB 4.34Å; Y232-E234 PolarHBondContact OH-OE2 3.33Å | ||
| 233 | L | 47.9 | Very low | 40 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -157 | 91.5 | 155.1 | -114.2 | 166.9 | 0 | 0 | 0 | 108.9 | ||||
| 234 | E | 40 | Very low | 39.5 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 58% | 0.584 | 76% | 0.763 | S | S | * | * | trans | -69.1 | 122.6 | 154.8 | 179.6 | 172.1 | -165.3 | 0 | 0 | 107.8 | Y232 | Y232-E234 HydrophobicContact CE1-CB 4.46Å; Y232-E234 HydrophobicContact CE2-CB 4.34Å; Y232-E234 PolarHBondContact OH-OE2 3.33Å | ||
| 235 | S | 45.4 | Very low | 39.8 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -140.2 | 124.2 | 163 | -91.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 236 | C | 38.8 | Very low | 39.8 | Very low | 116 Ų | 116 | 142 Ų | 142 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | -80.8 | -174 | -176.2 | -57.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 237 | E | 36.4 | Very low | 39.9 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 93.8 | 102.9 | 160.3 | -179 | 153.1 | -151.4 | 0 | 0 | 114.8 | ||||
| 238 | E | 39.6 | Very low | 40.1 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | 85.3 | 121.7 | 65.6 | 176.5 | 162.5 | -159.8 | 0 | 0 | 113.7 | |||||
| 239 | G | 36.4 | Very low | 40.3 | Very low | 73 Ų | 73 | 141.7 Ų | 141.7 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | 76.7 | 107.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 240 | S | 38.3 | Very low | 40.6 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | -173.2 | 132.3 | 108.6 | 72.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 241 | E | 41.6 | Very low | 40.8 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -73.9 | 178 | 164.5 | 45.7 | -151.3 | 128.4 | 0 | 0 | 111.5 | ||||
| 242 | D | 37.7 | Very low | 41.3 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 82.1 | 133.3 | 167.8 | -56 | -28.3 | 0 | 0 | 0 | 115.3 | ||||
| 243 | E | 41.5 | Very low | 41.6 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | cis | -152.7 | 165.1 | 12.5 | -64 | -78.1 | 74.4 | 0 | 0 | 109.3 | ||||
| 244 | E | 44.5 | Very low | 41.7 | Very low | 152 Ų | 152 | 135 Ų | 135 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | trans | -44.3 | 146.1 | 157.8 | 58.2 | -128.6 | 87.6 | 0 | 0 | 116.3 | ||||
| 245 | D | 43.8 | Very low | 42 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -151.5 | 143.9 | 151.3 | -116.1 | -47.3 | 0 | 0 | 0 | 112.3 | ||||
| 246 | E | 42 | Very low | 41.6 | Very low | 183 Ų | 183 | 132.6 Ų | 132.6 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -88.6 | 172.8 | -145.9 | -59.9 | -177.7 | 93.8 | 0 | 0 | 115.8 | ||||
| 247 | L | 39 | Very low | 42.1 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -73.5 | 150.7 | -175.6 | -64.7 | 161.4 | 0 | 0 | 0 | 114.8 | ||||
| 248 | S | 44.3 | Very low | 42.6 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | 67.4 | 130.8 | 144.4 | -57.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 249 | T | 42.1 | Very low | 42.9 | Very low | 140 Ų | 140 | 134 Ų | 134 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | 176.1 | 133.4 | 120.7 | -77.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 250 | D | 42.2 | Very low | 43.6 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | 60.7 | 134.4 | 151.1 | -148.5 | -101.7 | 0 | 0 | 0 | 122.7 | ||||
| 251 | G | 41.2 | Very low | 44 | Very low | 66 Ų | 66 | 139.4 Ų | 139.4 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | trans | 169.4 | 58.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S253 | G251-S253 PolarHBondContact O-N 3.13Š| ||
| 252 | N | 49 | Very low | 44 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -58.4 | 116.1 | 165.7 | 171.1 | 70.9 | 0 | 0 | 0 | 110.1 | ||||
| 253 | S | 41.8 | Very low | 44.3 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -152.2 | 107.8 | 160.2 | -75.7 | 0 | 0 | 0 | 0 | 109 | G251 P255 | G251-S253 PolarHBondContact O-N 3.13Å; S253-P255 VanDerWaalsContact O-CD 3.27Å; S253-P255 WeakPolarHBondContact O-CD 3.28Å | ||
| 254 | S | 49.9 | Very low | 44.2 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 118.7 | 156.8 | -57.8 | 0 | 0 | 0 | 0 | 108.5 | ||
| 255 | P | 46.8 | Very low | 44.4 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 127.4 | 153.4 | 16.5 | 3 | 0 | 0 | 0 | 107.5 | S253 | S253-P255 VanDerWaalsContact O-CD 3.27Å; S253-P255 WeakPolarHBondContact O-CD 3.28Å |
| 256 | G | 37.6 | Very low | 44.6 | Very low | 64 Ų | 64 | 134.2 Ų | 134.2 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 154.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | L258 | G256-L258 PolarHBondContact O-N 3.44Š|
| 257 | S | 49.1 | Very low | 44.8 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -7.7 | 89.6 | 151.5 | -173.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 258 | L | 45.9 | Very low | 45.2 | Very low | 154 Ų | 154 | 128.4 Ų | 128.4 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -120.5 | 51 | 169.4 | -168.3 | 73.5 | 0 | 0 | 0 | 109.1 | G256 | G256-L258 PolarHBondContact O-N 3.44Š| ||
| 259 | W | 47.4 | Very low | 45.1 | Very low | 240 Ų | 240 | 130.2 Ų | 130.2 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -121.1 | 9.1 | 166 | -66.9 | 109 | 0 | 0 | 0 | 112 | ||||
| 260 | D | 49.8 | Very low | 45.5 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -108.7 | 51.3 | 177.5 | -145.8 | -84.1 | 0 | 0 | 0 | 110.5 | ||
| 261 | Q | 46.8 | Very low | 46.1 | Very low | 166 Ų | 166 | 125.5 Ų | 125.5 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | -167.4 | 69.9 | 160 | -145.5 | 152.2 | 92.5 | 0 | 0 | 112.7 | ||||
| 262 | D | 41.8 | Very low | 46.8 | Very low | 152 Ų | 152 | 125.6 Ų | 125.6 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | trans | -114.1 | 97.2 | 146.1 | -81.7 | -64.8 | 0 | 0 | 0 | 107.3 | C264 | D262-C264 PolarHBondContact O-N 2.73Š| ||
| 263 | D | 43.9 | Very low | 47.5 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -36.2 | 118.3 | 170.5 | -148.7 | -92.9 | 0 | 0 | 0 | 109.2 | S265 | D263-S265 PolarHBondContact O-N 3.28Š| ||
| 264 | C | 39.6 | Very low | 48.4 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 78% | 0.777 | 73% | 0.726 | S | S | * | * | trans | -61.2 | 74.5 | 165.6 | -82 | 0 | 0 | 0 | 0 | 108.7 | D262 L266 | D262-C264 PolarHBondContact O-N 2.73Å; C264-L266 PolarHBondContact O-N 2.99Å | ||
| 265 | S | 48.8 | Very low | 48.9 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | trans | -66.8 | 87.7 | 157.8 | -79.7 | 0 | 0 | 0 | 0 | 105.8 | D263 L267 | D263-S265 PolarHBondContact O-N 3.28Å; S265-L267 PolarHBondContact O-N 2.99Å | ||
| 266 | L | 48.5 | Very low | 49.8 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | trans | -46.8 | 93.7 | 166.4 | -66.8 | 170.8 | 0 | 0 | 0 | 107.4 | C264 S268 | C264-L266 PolarHBondContact O-N 2.99Å; L266-S268 PolarHBondContact O-N 3.1Å | ||
| 267 | L | 45 | Very low | 50.9 | Low | 140 Ų | 140 | 125.8 Ų | 125.8 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | trans | -59.5 | 109.1 | 175.4 | -73.5 | 173.3 | 0 | 0 | 0 | 105.8 | S265 | S265-L267 PolarHBondContact O-N 2.99Š| ||
| 268 | S | 47 | Very low | 51.5 | Low | 85 Ų | 85 | 126.2 Ų | 126.2 | 59% | 0.594 | 68% | 0.675 | S | S | * | * | trans | -53.9 | 147.8 | 178.6 | -64.4 | 0 | 0 | 0 | 0 | 109.2 | L266 S270 | L266-S268 PolarHBondContact O-N 3.1Å; S268-S270 PolarHBondContact O-N 3.2Å | ||
| 269 | P | 41.8 | Very low | 52.1 | Low | 144 Ų | 144 | 125.8 Ų | 125.8 | 94% | 0.935 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 20.1 | -164.6 | -19.7 | 32.8 | 0 | 0 | 0 | 116.9 | ||
| 270 | S | 51.5 | Low | 52.7 | Low | 108 Ų | 108 | 119.9 Ų | 119.9 | 76% | 0.755 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 10.4 | -168.5 | 57.1 | 0 | 0 | 0 | 0 | 115.6 | S268 S272 | S268-S270 PolarHBondContact O-N 3.2Å; S270-S272 PolarHBondContact O-N 3.04Å |
| 271 | K | 55.4 | Low | 53.1 | Low | 86 Ų | 86 | 120.6 Ų | 120.6 | 37% | 0.374 | 65% | 0.651 | S | S | . | * | trans | -79.7 | 114.3 | -179.9 | -133.2 | 171.9 | 173.4 | 59.9 | 0 | 111.1 | E275 | K271-E275 WeakPolarHBondContact CE-OE2 3.27Å; K271-E275 HydrophobicContact CG-CB 4.28Å; K271-E275 WeakPolarHBondContact CG-OE2 3.42Å; K271-E275 IonicContact NZ-OE1 2.72Å; K271-E275 PolarHBondContact NZ-OE1 3.2Å; K271-E275 IonicContact NZ-OE2 2.9Å; K271-E275 PolarHBondContact NZ-OE2 2.92Å | ||
| 272 | S | 56.3 | Low | 53.4 | Low | 68 Ų | 68 | 117.7 Ų | 117.7 | 48% | 0.476 | 64% | 0.644 | S | S | . | * | trans | -62.7 | 139.8 | 179.5 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | S270 I274 E275 | S270-S272 PolarHBondContact O-N 3.04Å; S272-I274 PolarHBondContact O-N 3Å; S272-E275 WeakPolarHBondContact O-CB 3.46Å; S272-E275 PolarHBondContact O-N 3Å | ||
| 273 | M | 61.8 | Low | 53.9 | Low | 146 Ų | 146 | 115.9 Ų | 115.9 | 72% | 0.719 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -50 | -29.6 | -178 | -177.9 | 158.9 | 66 | 0 | 0 | 113.5 | I276 I277 | M273-I276 PolarHBondContact O-N 3.23Å; M273-I277 HydrophobicContact CG-CD1 4.02Å; M273-I277 WeakPolarHBondContact O-CD1 3.3Å; M273-I277 VanDerWaalsContact O-CG1 3.29Å; M273-I277 WeakPolarHBondContact O-CG1 3.41Å; M273-I277 PolarHBondContact O-N 3.27Å |
| 274 | I | 61.5 | Low | 53.7 | Low | 124 Ų | 124 | 119 Ų | 119 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.3 | -38.9 | 179 | -64.9 | 158.3 | 0 | 0 | 0 | 111.8 | S272 I276 I277 E278 | S272-I274 PolarHBondContact O-N 3Å; I274-I276 VanDerWaalsContact C-N 3.29Å; I274-I276 PolarHBondContact O-N 2.92Å; I274-I277 PolarHBondContact O-N 3.38Å; I274-E278 PolarHBondContact O-N 2.9Å; I274-E278 VanDerWaalsContact O-N 3.08Å |
| 275 | E | 61.1 | Low | 54.4 | Low | 93 Ų | 93 | 119.2 Ų | 119.2 | 44% | 0.435 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -71.5 | -26.2 | -179.1 | -127.3 | -168 | 147.2 | 0 | 0 | 112.1 | K271 S272 K279 | K271-E275 WeakPolarHBondContact CE-OE2 3.27Å; K271-E275 HydrophobicContact CG-CB 4.28Å; K271-E275 WeakPolarHBondContact CG-OE2 3.42Å; K271-E275 IonicContact NZ-OE1 2.72Å; K271-E275 PolarHBondContact NZ-OE1 3.2Å; K271-E275 IonicContact NZ-OE2 2.9Å; K271-E275 PolarHBondContact NZ-OE2 2.92Å; S272-E275 WeakPolarHBondContact O-CB 3.46Å; S272-E275 PolarHBondContact O-N 3Å; E275-K279 PolarHBondContact O-N 2.96Å |
| 276 | I | 65.3 | Low | 54.7 | Low | 88 Ų | 88 | 120.7 Ų | 120.7 | 45% | 0.451 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -75 | -42.3 | 175.5 | -60 | 174.3 | 0 | 0 | 0 | 109.8 | M273 I274 K279 I280 | M273-I276 PolarHBondContact O-N 3.23Å; I274-I276 VanDerWaalsContact C-N 3.29Å; I274-I276 PolarHBondContact O-N 2.92Å; I276-K279 PolarHBondContact O-N 2.83Å; I276-I280 HydrophobicContact CG2-CD1 3.99Å; I276-I280 WeakPolarHBondContact O-CG1 3.42Å; I276-I280 PolarHBondContact O-N 3.23Å |
| 277 | I | 60.8 | Low | 55.1 | Low | 95 Ų | 95 | 118.7 Ų | 118.7 | 49% | 0.487 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -65.1 | -46.1 | 179.9 | -65 | 163.4 | 0 | 0 | 0 | 110.6 | M273 I274 K279 I280 E281 | M273-I277 HydrophobicContact CG-CD1 4.02Å; M273-I277 WeakPolarHBondContact O-CD1 3.3Å; M273-I277 VanDerWaalsContact O-CG1 3.29Å; M273-I277 WeakPolarHBondContact O-CG1 3.41Å; M273-I277 PolarHBondContact O-N 3.27Å; I274-I277 PolarHBondContact O-N 3.38Å; I277-K279 VanDerWaalsContact C-N 3.26Å; I277-K279 PolarHBondContact O-N 3Å; I277-I280 PolarHBondContact O-N 3.45Å; I277-E281 PolarHBondContact O-N 3.3Å; I277-E281 VanDerWaalsContact O-N 3.1Å |
| 278 | E | 61.1 | Low | 55.6 | Low | 122 Ų | 122 | 117.4 Ų | 117.4 | 57% | 0.57 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -60.2 | -37.2 | 179.4 | -170.1 | 175.8 | -167 | 0 | 0 | 111.9 | I274 E281 T282 | I274-E278 PolarHBondContact O-N 2.9Å; I274-E278 VanDerWaalsContact O-N 3.08Å; E278-E281 PolarHBondContact O-N 3.28Å; E278-T282 WeakPolarHBondContact O-CG2 3.27Å; E278-T282 PolarHBondContact O-N 3.49Å; E278-T282 PolarHBondContact O-OG1 3.23Å |
| 279 | K | 58.6 | Low | 56.2 | Low | 146 Ų | 146 | 119.4 Ų | 119.4 | 64% | 0.635 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.2 | -33.8 | -179.1 | -156.4 | 164.5 | -176 | 178.4 | 0 | 113.1 | E275 I276 I277 E281 T282 T283 | E275-K279 PolarHBondContact O-N 2.96Å; I276-K279 PolarHBondContact O-N 2.83Å; I277-K279 VanDerWaalsContact C-N 3.26Å; I277-K279 PolarHBondContact O-N 3Å; K279-E281 VanDerWaalsContact C-N 3.34Å; K279-T282 PolarHBondContact O-OG1 2.98Å; K279-T282 VanDerWaalsContact O-OG1 3.06Å; K279-T283 PolarHBondContact O-OG1 2.55Å; K279-T283 VanDerWaalsContact O-OG1 3.08Å |
| 280 | I | 59.6 | Low | 57.1 | Low | 115 Ų | 115 | 117.8 Ų | 117.8 | 59% | 0.59 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.8 | -36.7 | 174.4 | -63.5 | 164.5 | 0 | 0 | 0 | 110.4 | I276 I277 T282 T283 | I276-I280 HydrophobicContact CG2-CD1 3.99Å; I276-I280 WeakPolarHBondContact O-CG1 3.42Å; I276-I280 PolarHBondContact O-N 3.23Å; I277-I280 PolarHBondContact O-N 3.45Å; I280-T282 VanDerWaalsContact C-N 3.28Å; I280-T282 PolarHBondContact O-N 3.48Å; I280-T283 PolarHBondContact O-N 3.12Å; I280-T283 PolarHBondContact O-OG1 3.03Å |
| 281 | E | 57.8 | Low | 57.5 | Low | 159 Ų | 159 | 118.5 Ų | 118.5 | 74% | 0.743 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.2 | -22.6 | -178.9 | -157 | 169.1 | -167 | 0 | 0 | 113.1 | I277 E278 K279 | I277-E281 PolarHBondContact O-N 3.3Å; I277-E281 VanDerWaalsContact O-N 3.1Å; E278-E281 PolarHBondContact O-N 3.28Å; K279-E281 VanDerWaalsContact C-N 3.34Å |
| 282 | T | 54 | Low | 57.7 | Low | 105 Ų | 105 | 121 Ų | 121 | 64% | 0.644 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 0.4 | 178.8 | 57.7 | 0 | 0 | 0 | 0 | 115.9 | E278 K279 I280 | E278-T282 WeakPolarHBondContact O-CG2 3.27Å; E278-T282 PolarHBondContact O-N 3.49Å; E278-T282 PolarHBondContact O-OG1 3.23Å; K279-T282 PolarHBondContact O-OG1 2.98Å; K279-T282 VanDerWaalsContact O-OG1 3.06Å; I280-T282 VanDerWaalsContact C-N 3.28Å; I280-T282 PolarHBondContact O-N 3.48Å |
| 283 | T | 52.2 | Low | 57.8 | Low | 114 Ų | 114 | 125.4 Ų | 125.4 | 70% | 0.699 | 65% | 0.651 | S | S | * | * | trans | -110.3 | 22.8 | -176.8 | 32.5 | 0 | 0 | 0 | 0 | 114.8 | K279 I280 | K279-T283 PolarHBondContact O-OG1 2.55Å; K279-T283 VanDerWaalsContact O-OG1 3.08Å; I280-T283 PolarHBondContact O-N 3.12Å; I280-T283 PolarHBondContact O-OG1 3.03Å | ||
| 284 | V | 40.1 | Very low | 57.5 | Low | 198 Ų | 198 | 123.5 Ų | 123.5 | 100% | 1.2 | 65% | 0.645 | S | S | * | * | trans | -120.5 | 0 | 170.7 | -176.5 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 284 of 284 residues in 199.6 ms
(Link to these results)