| 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 | 59.3 | Low | 70.9 | Confident | 244 Ų | 244 | 166.9 Ų | 166.9 | 100% | 1.202 | 84% | 0.836 | S | S | * | * | 0 | 116.2 | 0 | -65.9 | 154.2 | 75.5 | 0 | 0 | 107.7 | |||||
| 2 | S | 54.9 | Low | 71.7 | Confident | 111 Ų | 111 | 169.9 Ų | 169.9 | 78% | 0.776 | 84% | 0.84 | S | S | * | * | trans | -84.9 | 118.6 | 177.6 | 47.2 | 0 | 0 | 0 | 0 | 109.8 | L4 | S2-L4 PolarHBondContact O-N 2.97Š| ||
| 3 | M | 57.5 | Low | 72.4 | Confident | 185 Ų | 185 | 171.3 Ų | 171.3 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | trans | -67.8 | 128.6 | 178.2 | -66.8 | -173.4 | 177 | 0 | 0 | 110.9 | A5 | M3-A5 PolarHBondContact O-N 2.63Š| ||
| 4 | L | 67.4 | Low | 73 | Confident | 174 Ų | 174 | 164.4 Ų | 164.4 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -75.9 | 60.9 | 174.5 | -71.3 | 81.5 | 0 | 0 | 0 | 110.8 | S2 E6 | S2-L4 PolarHBondContact O-N 2.97Å; L4-E6 PolarHBondContact O-N 2.72Å | ||
| 5 | A | 72.4 | Confident | 73.8 | Confident | 86 Ų | 86 | 164.3 Ų | 164.3 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | trans | -77.9 | 109.7 | 172 | 0 | 0 | 0 | 0 | 0 | 109.4 | M3 | M3-A5 PolarHBondContact O-N 2.63Š| ||
| 6 | E | 75.3 | Confident | 74.5 | Confident | 152 Ų | 152 | 157.1 Ų | 157.1 | 71% | 0.71 | 79% | 0.785 | S | S | * | * | trans | -57.4 | 138.7 | 177.8 | -167.4 | -175.2 | 167.6 | 0 | 0 | 110.9 | L4 R8 | L4-E6 PolarHBondContact O-N 2.72Å; E6-R8 PolarHBondContact O-N 3.28Å | ||
| 7 | P | 77.3 | Confident | 75.1 | Confident | 104 Ų | 104 | 152.8 Ų | 152.8 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | -56.4 | 113.6 | 179.5 | -27.6 | 35.8 | 0 | 0 | 0 | 112.7 | K9 | P7-K9 PolarHBondContact O-N 3.31Š| ||
| 8 | R | 77.8 | Confident | 75.5 | Confident | 245 Ų | 245 | 155.3 Ų | 155.3 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | trans | -62.7 | 93.4 | -179.4 | -65.8 | -177.5 | 70.6 | 172.6 | 4.1 | 111.6 | E6 K10 | E6-R8 PolarHBondContact O-N 3.28Å; R8-K10 PolarHBondContact O-N 3.4Å | ||
| 9 | K | 81 | Confident | 76 | Confident | 172 Ų | 172 | 152.2 Ų | 152.2 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -66.7 | 120.7 | 173 | -69.3 | 169.3 | -175.9 | 159.1 | 0 | 109.7 | P7 Q11 | P7-K9 PolarHBondContact O-N 3.31Å; K9-Q11 PolarHBondContact O-N 2.85Å | ||
| 10 | K | 77.9 | Confident | 76.6 | Confident | 207 Ų | 207 | 146.4 Ų | 146.4 | 90% | 0.9 | 73% | 0.731 | S | S | * | * | trans | -81 | 96.4 | 170.3 | -67.6 | -174.6 | 179.3 | -176.7 | 0 | 109.1 | R8 K12 | R8-K10 PolarHBondContact O-N 3.4Å; K10-K12 PolarHBondContact O-N 2.65Å | ||
| 11 | Q | 79.3 | Confident | 77 | Confident | 156 Ų | 156 | 143 Ų | 143 | 73% | 0.729 | 73% | 0.726 | S | S | * | * | trans | -66.1 | 125.3 | 164.1 | -76.5 | 175.5 | -47.8 | 0 | 0 | 108.7 | K9 | K9-Q11 PolarHBondContact O-N 2.85Š| ||
| 12 | K | 79.9 | Confident | 78.3 | Confident | 203 Ų | 203 | 139.1 Ų | 139.1 | 88% | 0.883 | 70% | 0.698 | S | S | * | * | trans | -91.9 | 106.8 | 168.2 | -172.4 | 163.4 | 68.4 | 170.5 | 0 | 107.7 | K10 | K10-K12 PolarHBondContact O-N 2.65Š| ||
| 13 | W | 81.4 | Confident | 79.6 | Confident | 188 Ų | 188 | 137.9 Ų | 137.9 | 71% | 0.712 | 69% | 0.689 | S | S | * | * | trans | -76.6 | 142.5 | 176.6 | -65 | 42.8 | 0 | 0 | 0 | 107.9 | ||||
| 14 | S | 81.1 | Confident | 81 | Confident | 74 Ų | 74 | 133.7 Ų | 133.7 | 52% | 0.517 | 67% | 0.671 | S | S | . | * | trans | -67.6 | 155.9 | 168 | 47.1 | 0 | 0 | 0 | 0 | 109.9 | D16 P17 | S14-D16 PolarHBondContact O-N 2.83Å; S14-D16 VanDerWaalsContact OG-C 3.31Å; S14-D16 PolarHBondContact OG-O 2.82Å; S14-P17 WeakPolarHBondContact OG-CA 3.28Å | ||
| 15 | V | 83.8 | Confident | 82 | Confident | 164 Ų | 164 | 128 Ų | 128 | 99% | 0.994 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -57.1 | -34.6 | 177.1 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 16 | D | 86.3 | Confident | 82.7 | Confident | 48 Ų | 48 | 127.1 Ų | 127.1 | 26% | 0.257 | 63% | 0.625 | S | S | . | * | trans | -122.9 | 109.4 | 166.2 | -171 | -15.6 | 0 | 0 | 0 | 109.7 | S14 R18 N19 S20 A21 | S14-D16 PolarHBondContact O-N 2.83Å; S14-D16 VanDerWaalsContact OG-C 3.31Å; S14-D16 PolarHBondContact OG-O 2.82Å; D16-R18 PolarHBondContact OD1-N 3.38Å; D16-N19 VanDerWaalsContact CG-N 3.33Å; D16-N19 PolarHBondContact OD1-N 2.92Å; D16-N19 VanDerWaalsContact OD2-C 3.25Å; D16-N19 WeakPolarHBondContact OD2-CA 3.2Å; D16-S20 PolarHBondContact OD1-N 3.49Å; D16-S20 WeakPolarHBondContact OD2-CA 3.47Å; D16-S20 PolarHBondContact OD2-N 3.26Å; D16-A21 PolarHBondContact OD2-N 3.49Å | ||
| 17 | P | 83.6 | Confident | 83.4 | Confident | 84 Ų | 84 | 123.1 Ų | 123.1 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -85.1 | -9.6 | 176.5 | 33.1 | -34.7 | 0 | 0 | 0 | 113.6 | S14 | S14-P17 WeakPolarHBondContact OG-CA 3.28Š|
| 18 | R | 82.6 | Confident | 84 | Confident | 199 Ų | 199 | 120.1 Ų | 120.1 | 75% | 0.751 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -111 | -2.1 | 179.3 | -67.5 | -165.7 | -68.8 | 104.5 | -3.5 | 113.6 | D16 S20 | D16-R18 PolarHBondContact OD1-N 3.38Å; R18-S20 PolarHBondContact O-N 3.02Å |
| 19 | N | 85.8 | Confident | 84.8 | Confident | 96 Ų | 96 | 116.3 Ų | 116.3 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | trans | 54.2 | 31.1 | -173.9 | -158 | 28.8 | 0 | 0 | 0 | 113.4 | D16 A21 W22 S23 | D16-N19 VanDerWaalsContact CG-N 3.33Å; D16-N19 PolarHBondContact OD1-N 2.92Å; D16-N19 VanDerWaalsContact OD2-C 3.25Å; D16-N19 WeakPolarHBondContact OD2-CA 3.2Å; N19-A21 VanDerWaalsContact C-N 3.3Å; N19-A21 PolarHBondContact O-N 2.99Å; N19-W22 PolarHBondContact O-N 2.64Å; N19-W22 VanDerWaalsContact O-N 3.16Å; N19-W22 WeakPolarHBondContact OD1-CB 3.41Å; N19-S23 PolarHBondContact O-N 2.58Å; N19-S23 VanDerWaalsContact O-N 3.11Å | ||
| 20 | S | 87 | Confident | 85.3 | Confident | 36 Ų | 36 | 109.8 Ų | 109.8 | 25% | 0.252 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.2 | -34.2 | 179.7 | -159.1 | 0 | 0 | 0 | 0 | 112.1 | D16 R18 W22 S23 N24 | D16-S20 PolarHBondContact OD1-N 3.49Å; D16-S20 WeakPolarHBondContact OD2-CA 3.47Å; D16-S20 PolarHBondContact OD2-N 3.26Å; R18-S20 PolarHBondContact O-N 3.02Å; S20-W22 PolarHBondContact O-N 2.96Å; S20-S23 PolarHBondContact O-N 3.27Å; S20-S23 PolarHBondContact O-OG 3.25Å; S20-N24 PolarHBondContact O-N 3.18Å; S20-N24 PolarHBondContact O-ND2 3.18Å; S20-N24 PolarHBondContact OG-ND2 3.06Å |
| 21 | A | 86.3 | Confident | 86 | Confident | 76 Ų | 76 | 101.4 Ų | 101.4 | 63% | 0.628 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.2 | -29.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D16 N19 D25 | D16-A21 PolarHBondContact OD2-N 3.49Å; N19-A21 VanDerWaalsContact C-N 3.3Å; N19-A21 PolarHBondContact O-N 2.99Å; A21-D25 WeakPolarHBondContact O-CB 3.23Å |
| 22 | W | 84.7 | Confident | 86.7 | Confident | 162 Ų | 162 | 99.5 Ų | 99.5 | 61% | 0.614 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -81.6 | -39.1 | 174.4 | -171.6 | -87.7 | 0 | 0 | 0 | 112.3 | N19 S20 N24 K28 | N19-W22 PolarHBondContact O-N 2.64Å; N19-W22 VanDerWaalsContact O-N 3.16Å; N19-W22 WeakPolarHBondContact OD1-CB 3.41Å; S20-W22 PolarHBondContact O-N 2.96Å; W22-N24 VanDerWaalsContact C-N 3.34Å; W22-N24 PolarHBondContact O-N 2.76Å; W22-K28 HydrophobicContact CD2-CD 4.28Å; W22-K28 VanDerWaalsContact CD2-CE 3.43Å; W22-K28 VanDerWaalsContact CD2-NZ 3.31Å; W22-K28 VanDerWaalsContact CE2-CE 3.48Å; W22-K28 HydrophobicContact CH2-CD 4.35Å; W22-K28 HydrophobicContact CZ2-CD 3.87Å; W22-K28 WeakPolarHBondContact O-CE 3.31Å |
| 23 | S | 83.9 | Confident | 87.5 | Confident | 84 Ų | 84 | 94.3 Ų | 94.3 | 59% | 0.587 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -74.4 | -20 | -175.9 | 68.9 | 0 | 0 | 0 | 0 | 114.7 | N19 S20 | N19-S23 PolarHBondContact O-N 2.58Å; N19-S23 VanDerWaalsContact O-N 3.11Å; S20-S23 PolarHBondContact O-N 3.27Å; S20-S23 PolarHBondContact O-OG 3.25Å |
| 24 | N | 86.3 | Confident | 88.1 | Confident | 98 Ų | 98 | 88.6 Ų | 88.6 | 52% | 0.524 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 3 | -178.6 | -63.6 | -76.4 | 0 | 0 | 0 | 113.6 | S20 W22 D26 | S20-N24 PolarHBondContact O-N 3.18Å; S20-N24 PolarHBondContact O-ND2 3.18Å; S20-N24 PolarHBondContact OG-ND2 3.06Å; W22-N24 VanDerWaalsContact C-N 3.34Å; W22-N24 PolarHBondContact O-N 2.76Å; N24-D26 PolarHBondContact O-N 3.03Å |
| 25 | D | 89.1 | Confident | 88.7 | Confident | 53 Ų | 53 | 89 Ų | 89 | 28% | 0.283 | 47% | 0.472 | S | S | . | . | trans | -85.8 | 99.2 | 179.9 | 166.5 | 25.3 | 0 | 0 | 0 | 110.7 | A21 S27 K28 | A21-D25 WeakPolarHBondContact O-CB 3.23Å; D25-S27 PolarHBondContact O-N 2.85Å; D25-S27 VanDerWaalsContact OD1-CB 3.28Å; D25-S27 WeakPolarHBondContact OD1-CB 3.28Å; D25-S27 PolarHBondContact OD1-N 3.46Å; D25-S27 PolarHBondContact OD1-OG 3.26Å; D25-K28 HydrophobicContact CB-CG 4.44Å; D25-K28 WeakPolarHBondContact O-CG 3.3Å; D25-K28 WeakPolarHBondContact OD2-CE 3.4Å; D25-K28 VanDerWaalsContact OD2-CG 3.29Å; D25-K28 WeakPolarHBondContact OD2-CG 3.4Å; D25-K28 IonicContact OD2-NZ 3.84Å; D25-K28 PolarHBondContact OD2-NZ 3.39Å | ||
| 26 | D | 86.8 | Confident | 89.3 | Confident | 69 Ų | 69 | 89.1 Ų | 89.1 | 37% | 0.369 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -9.7 | 179.8 | -67.4 | -37.8 | 0 | 0 | 0 | 113.7 | N24 K28 Q31 K41 | N24-D26 PolarHBondContact O-N 3.03Å; D26-K28 VanDerWaalsContact C-N 3.31Å; D26-K28 PolarHBondContact O-N 3.13Å; D26-Q31 PolarHBondContact OD1-NE2 3.32Å; D26-Q31 PolarHBondContact OD1-OE1 3.32Å; D26-K41 WeakPolarHBondContact OD1-CD 3.27Å; D26-K41 WeakPolarHBondContact OD1-CE 3.46Å; D26-K41 IonicContact OD1-NZ 2.72Å; D26-K41 PolarHBondContact OD1-NZ 2.98Å; D26-K41 IonicContact OD2-NZ 2.87Å; D26-K41 PolarHBondContact OD2-NZ 3.4Å |
| 27 | S | 88.8 | Confident | 89.7 | Confident | 68 Ų | 68 | 94.4 Ų | 94.4 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -6.2 | -173.8 | 78.4 | 0 | 0 | 0 | 0 | 114.4 | D25 K32 | D25-S27 PolarHBondContact O-N 2.85Å; D25-S27 VanDerWaalsContact OD1-CB 3.28Å; D25-S27 WeakPolarHBondContact OD1-CB 3.28Å; D25-S27 PolarHBondContact OD1-N 3.46Å; D25-S27 PolarHBondContact OD1-OG 3.26Å; S27-K32 WeakPolarHBondContact O-CE 3.29Å; S27-K32 PolarHBondContact O-NZ 3.24Å |
| 28 | K | 90.9 | Very high | 90.2 | Very high | 40 Ų | 40 | 93.5 Ų | 93.5 | 17% | 0.174 | 49% | 0.492 | C | S | . | . | trans | -66.5 | 146.3 | -171.1 | -65.4 | -173 | -163.3 | -55.2 | 0 | 113.5 | W22 D25 D26 G30 Q31 K32 | W22-K28 HydrophobicContact CD2-CD 4.28Å; W22-K28 VanDerWaalsContact CD2-CE 3.43Å; W22-K28 VanDerWaalsContact CD2-NZ 3.31Å; W22-K28 VanDerWaalsContact CE2-CE 3.48Å; W22-K28 HydrophobicContact CH2-CD 4.35Å; W22-K28 HydrophobicContact CZ2-CD 3.87Å; W22-K28 WeakPolarHBondContact O-CE 3.31Å; D25-K28 HydrophobicContact CB-CG 4.44Å; D25-K28 WeakPolarHBondContact O-CG 3.3Å; D25-K28 WeakPolarHBondContact OD2-CE 3.4Å; D25-K28 VanDerWaalsContact OD2-CG 3.29Å; D25-K28 WeakPolarHBondContact OD2-CG 3.4Å; D25-K28 IonicContact OD2-NZ 3.84Å; D25-K28 PolarHBondContact OD2-NZ 3.39Å; D26-K28 VanDerWaalsContact C-N 3.31Å; D26-K28 PolarHBondContact O-N 3.13Å; K28-G30 PolarHBondContact O-N 3.04Å; K28-Q31 PolarHBondContact O-N 3.25Å; K28-Q31 VanDerWaalsContact O-N 3.13Å; K28-K32 PolarHBondContact O-N 3.35Å | ||
| 29 | F | 93.6 | Very high | 90.7 | Very high | 165 Ų | 165 | 87.1 Ų | 87.1 | 72% | 0.724 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -50 | -49.9 | 175.8 | 174.3 | -99.9 | 0 | 0 | 0 | 113.4 | Q31 K32 M33 | F29-Q31 VanDerWaalsContact C-N 3.3Å; F29-Q31 PolarHBondContact O-N 2.96Å; F29-K32 PolarHBondContact O-N 3.03Å; F29-M33 HydrophobicContact CE1-SD 4.2Å; F29-M33 HydrophobicContact CZ-SD 4.22Å; F29-M33 WeakPolarHBondContact O-CB 3.46Å; F29-M33 PolarHBondContact O-N 2.73Å |
| 30 | G | 92.9 | Very high | 91 | Very high | 35 Ų | 35 | 85 Ų | 85 | 36% | 0.361 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.2 | -32.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K28 L34 | K28-G30 PolarHBondContact O-N 3.04Å; G30-L34 WeakPolarHBondContact O-CG 3.3Å; G30-L34 PolarHBondContact O-N 3.14Å; G30-L34 VanDerWaalsContact O-N 3.14Å |
| 31 | Q | 92.4 | Very high | 91.2 | Very high | 32 Ų | 32 | 89 Ų | 89 | 15% | 0.15 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -73.1 | -49.4 | 176.4 | 175.5 | 159.6 | -15.1 | 0 | 0 | 111.3 | D26 K28 F29 M33 L34 E35 W39 | D26-Q31 PolarHBondContact OD1-NE2 3.32Å; D26-Q31 PolarHBondContact OD1-OE1 3.32Å; K28-Q31 PolarHBondContact O-N 3.25Å; K28-Q31 VanDerWaalsContact O-N 3.13Å; F29-Q31 VanDerWaalsContact C-N 3.3Å; F29-Q31 PolarHBondContact O-N 2.96Å; Q31-M33 PolarHBondContact O-N 3.06Å; Q31-L34 WeakPolarHBondContact O-CB 3.2Å; Q31-L34 PolarHBondContact O-N 3.35Å; Q31-E35 HydrophobicContact CG-CG 4.29Å; Q31-E35 VanDerWaalsContact CG-OE1 3.23Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.39Å; Q31-E35 PolarHBondContact NE2-OE1 3.09Å; Q31-E35 WeakPolarHBondContact O-CG 3.46Å; Q31-E35 PolarHBondContact O-N 2.84Å; Q31-W39 HydrophobicContact CG-CZ3 4.34Å |
| 32 | K | 94.3 | Very high | 91.4 | Very high | 116 Ų | 116 | 88.3 Ų | 88.3 | 50% | 0.504 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -55.1 | -39.8 | 174.7 | -73.5 | 172.2 | 172.6 | 160 | 0 | 112.4 | S27 K28 F29 E35 Q36 | S27-K32 WeakPolarHBondContact O-CE 3.29Å; S27-K32 PolarHBondContact O-NZ 3.24Å; K28-K32 PolarHBondContact O-N 3.35Å; F29-K32 PolarHBondContact O-N 3.03Å; K32-E35 PolarHBondContact O-N 3.16Å; K32-Q36 VanDerWaalsContact O-CB 3.3Å; K32-Q36 WeakPolarHBondContact O-CB 3.39Å; K32-Q36 PolarHBondContact O-N 3.33Å |
| 33 | M | 95.3 | Very high | 91.8 | Very high | 94 Ų | 94 | 84.7 Ų | 84.7 | 46% | 0.463 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 176.3 | -173.1 | 178.9 | 71.1 | 0 | 0 | 112.5 | F29 Q31 M37 | F29-M33 HydrophobicContact CE1-SD 4.2Å; F29-M33 HydrophobicContact CZ-SD 4.22Å; F29-M33 WeakPolarHBondContact O-CB 3.46Å; F29-M33 PolarHBondContact O-N 2.73Å; Q31-M33 PolarHBondContact O-N 3.06Å; M33-M37 VanDerWaalsContact O-CG 3.27Å; M33-M37 WeakPolarHBondContact O-CG 3.38Å; M33-M37 PolarHBondContact O-N 2.79Å |
| 34 | L | 94.4 | Very high | 92.3 | Very high | 68 Ų | 68 | 81.1 Ų | 81.1 | 36% | 0.356 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 174.4 | -79.2 | 167.2 | 0 | 0 | 0 | 111.7 | G30 Q31 Q36 M37 G38 W39 L45 | G30-L34 WeakPolarHBondContact O-CG 3.3Å; G30-L34 PolarHBondContact O-N 3.14Å; G30-L34 VanDerWaalsContact O-N 3.14Å; Q31-L34 WeakPolarHBondContact O-CB 3.2Å; Q31-L34 PolarHBondContact O-N 3.35Å; L34-Q36 PolarHBondContact O-N 3.4Å; L34-M37 CarbonylContact O-C 3.5Å; L34-M37 WeakPolarHBondContact O-CA 3.49Å; L34-M37 PolarHBondContact O-N 3.44Å; L34-G38 PolarHBondContact O-N 2.82Å; L34-W39 HydrophobicContact CB-CB 4.08Å; L34-W39 HydrophobicContact CB-CD2 4.19Å; L34-W39 HydrophobicContact CB-CE3 3.75Å; L34-W39 HydrophobicContact CB-CG 4.38Å; L34-W39 HydrophobicContact CD1-CE3 4.39Å; L34-W39 WeakPolarHBondContact O-CB 3.41Å; L34-W39 PolarHBondContact O-N 2.89Å; L34-L45 HydrophobicContact CD2-CD2 4.31Å |
| 35 | E | 94.3 | Very high | 92.6 | Very high | 81 Ų | 81 | 81.4 Ų | 81.4 | 38% | 0.379 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 177.3 | -71.3 | 171.2 | -179.8 | 0 | 0 | 111.7 | Q31 K32 M37 G38 W39 | Q31-E35 HydrophobicContact CG-CG 4.29Å; Q31-E35 VanDerWaalsContact CG-OE1 3.23Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.39Å; Q31-E35 PolarHBondContact NE2-OE1 3.09Å; Q31-E35 WeakPolarHBondContact O-CG 3.46Å; Q31-E35 PolarHBondContact O-N 2.84Å; K32-E35 PolarHBondContact O-N 3.16Å; E35-M37 PolarHBondContact O-N 3.11Å; E35-G38 PolarHBondContact O-N 3.16Å; E35-W39 WeakPolarHBondContact CA-O 3.33Å; E35-W39 HydrophobicContact CG-CE3 4.3Å |
| 36 | Q | 95.6 | Very high | 92.8 | Very high | 168 Ų | 168 | 81.1 Ų | 81.1 | 79% | 0.785 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.9 | -25.7 | 173.4 | -173.4 | 176.7 | -10 | 0 | 0 | 113.2 | K32 L34 G38 | K32-Q36 VanDerWaalsContact O-CB 3.3Å; K32-Q36 WeakPolarHBondContact O-CB 3.39Å; K32-Q36 PolarHBondContact O-N 3.33Å; L34-Q36 PolarHBondContact O-N 3.4Å; Q36-G38 VanDerWaalsContact C-N 3.31Å |
| 37 | M | 94.4 | Very high | 93.2 | Very high | 158 Ų | 158 | 89.7 Ų | 89.7 | 78% | 0.778 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 8.6 | 174.3 | -65.8 | -70.6 | 177 | 0 | 0 | 113.2 | M33 L34 E35 | M33-M37 VanDerWaalsContact O-CG 3.27Å; M33-M37 WeakPolarHBondContact O-CG 3.38Å; M33-M37 PolarHBondContact O-N 2.79Å; L34-M37 CarbonylContact O-C 3.5Å; L34-M37 WeakPolarHBondContact O-CA 3.49Å; L34-M37 PolarHBondContact O-N 3.44Å; E35-M37 PolarHBondContact O-N 3.11Å |
| 38 | G | 93.9 | Very high | 93.4 | Very high | 65 Ų | 65 | 91 Ų | 91 | 67% | 0.67 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 6.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L34 E35 Q36 | L34-G38 PolarHBondContact O-N 2.82Å; E35-G38 PolarHBondContact O-N 3.16Å; Q36-G38 VanDerWaalsContact C-N 3.31Å |
| 39 | W | 94.9 | Very high | 93.5 | Very high | 65 Ų | 65 | 93.7 Ų | 93.7 | 25% | 0.246 | 50% | 0.5 | C | S | . | . | trans | -71.1 | 155.4 | 165.9 | -178.4 | 74.2 | 0 | 0 | 0 | 110.2 | Q31 L34 E35 K43 L45 | Q31-W39 HydrophobicContact CG-CZ3 4.34Å; L34-W39 HydrophobicContact CB-CB 4.08Å; L34-W39 HydrophobicContact CB-CD2 4.19Å; L34-W39 HydrophobicContact CB-CE3 3.75Å; L34-W39 HydrophobicContact CB-CG 4.38Å; L34-W39 HydrophobicContact CD1-CE3 4.39Å; L34-W39 WeakPolarHBondContact O-CB 3.41Å; L34-W39 PolarHBondContact O-N 2.89Å; E35-W39 WeakPolarHBondContact CA-O 3.33Å; E35-W39 HydrophobicContact CG-CE3 4.3Å; W39-K43 PolarHBondContact NE1-O 2.84Å; W39-L45 HydrophobicContact CG-CD2 4.2Å | ||
| 40 | S | 92 | Very high | 93.6 | Very high | 53 Ų | 53 | 92.3 Ų | 92.3 | 37% | 0.371 | 50% | 0.496 | S | S | . | . | trans | -141.7 | 149.9 | 170.4 | 44.4 | 0 | 0 | 0 | 0 | 111.6 | G42 K43 | S40-G42 PolarHBondContact O-N 3.47Å; S40-K43 WeakPolarHBondContact O-CB 3.47Å; S40-K43 PolarHBondContact O-N 2.73Å; S40-K43 VanDerWaalsContact OG-CD 3.3Å; S40-K43 WeakPolarHBondContact OG-CD 3.32Å | ||
| 41 | K | 90.4 | Very high | 93.7 | Very high | 119 Ų | 119 | 92 Ų | 92 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 123.7 | -173.8 | -177.5 | 168.3 | 177.4 | 165.2 | 0 | 111.6 | D26 | D26-K41 WeakPolarHBondContact OD1-CD 3.27Å; D26-K41 WeakPolarHBondContact OD1-CE 3.46Å; D26-K41 IonicContact OD1-NZ 2.72Å; D26-K41 PolarHBondContact OD1-NZ 2.98Å; D26-K41 IonicContact OD2-NZ 2.87Å; D26-K41 PolarHBondContact OD2-NZ 3.4Å |
| 42 | G | 90 | Very high | 93.8 | Very high | 62 Ų | 62 | 95.1 Ų | 95.1 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.2 | -8.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | S40 T53 | S40-G42 PolarHBondContact O-N 3.47Å; G42-T53 VanDerWaalsContact O-CG2 3.28Å; G42-T53 WeakPolarHBondContact O-CG2 3.13Å |
| 43 | K | 93.3 | Very high | 93.7 | Very high | 85 Ų | 85 | 94.3 Ų | 94.3 | 37% | 0.37 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 147.1 | 174.3 | -65.1 | -168 | 163.7 | -144.8 | 0 | 112.7 | W39 S40 E49 | W39-K43 PolarHBondContact NE1-O 2.84Å; S40-K43 WeakPolarHBondContact O-CB 3.47Å; S40-K43 PolarHBondContact O-N 2.73Å; S40-K43 VanDerWaalsContact OG-CD 3.3Å; S40-K43 WeakPolarHBondContact OG-CD 3.32Å; K43-E49 HydrophobicContact CD-CG 4.44Å; K43-E49 WeakPolarHBondContact CD-OE2 3.4Å; K43-E49 VanDerWaalsContact CE-OE2 3.31Å; K43-E49 WeakPolarHBondContact CE-OE2 3.47Å; K43-E49 IonicContact NZ-OE1 2.63Å; K43-E49 PolarHBondContact NZ-OE1 3.24Å; K43-E49 IonicContact NZ-OE2 2.97Å; K43-E49 PolarHBondContact NZ-OE2 2.79Å |
| 44 | G | 94.3 | Very high | 93.5 | Very high | 10 Ų | 10 | 94.2 Ų | 94.2 | 10% | 0.103 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 157.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E49 G51 | G44-E49 WeakPolarHBondContact CA-O 2.9Å; G44-E49 WeakPolarHBondContact O-CA 3.41Å; G44-G51 WeakPolarHBondContact CA-O 3.35Å |
| 45 | L | 93.1 | Very high | 93.2 | Very high | 103 Ų | 103 | 97.6 Ų | 97.6 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -83.1 | 152.3 | 173.6 | -69.9 | 171.2 | 0 | 0 | 0 | 111.4 | L34 W39 G51 | L34-L45 HydrophobicContact CD2-CD2 4.31Å; W39-L45 HydrophobicContact CG-CD2 4.2Å; L45-G51 WeakPolarHBondContact O-CA 3.15Å; L45-G51 PolarHBondContact O-N 3.22Å |
| 46 | G | 93.8 | Very high | 93.2 | Very high | 48 Ų | 48 | 101 Ų | 101 | 50% | 0.495 | 56% | 0.558 | S | S | . | * | S | Bend | trans | 112.9 | 169 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S48 E49 | G46-S48 PolarHBondContact O-N 3.38Å; G46-S48 VanDerWaalsContact O-N 3.16Å; G46-E49 PolarHBondContact O-N 3.3Å |
| 47 | R | 93.9 | Very high | 93 | Very high | 249 Ų | 249 | 99.9 Ų | 99.9 | 94% | 0.94 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -34 | -172.2 | -178.3 | 177.2 | 178.9 | 178 | 0.6 | 114.3 | ||
| 48 | S | 93.9 | Very high | 92.9 | Very high | 96 Ų | 96 | 98.2 Ų | 98.2 | 67% | 0.671 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 27.4 | 179.1 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | G46 Q50 | G46-S48 PolarHBondContact O-N 3.38Å; G46-S48 VanDerWaalsContact O-N 3.16Å; S48-Q50 PolarHBondContact O-N 2.92Å; S48-Q50 VanDerWaalsContact O-N 3.09Å |
| 49 | E | 93.6 | Very high | 92.6 | Very high | 95 Ų | 95 | 104.8 Ų | 104.8 | 44% | 0.444 | 56% | 0.559 | S | S | . | * | S | Bend | trans | 59.5 | 22.5 | 178 | -55.6 | 172.1 | -168.1 | 0 | 0 | 113.7 | K43 G44 G46 G51 | K43-E49 HydrophobicContact CD-CG 4.44Å; K43-E49 WeakPolarHBondContact CD-OE2 3.4Å; K43-E49 VanDerWaalsContact CE-OE2 3.31Å; K43-E49 WeakPolarHBondContact CE-OE2 3.47Å; K43-E49 IonicContact NZ-OE1 2.63Å; K43-E49 PolarHBondContact NZ-OE1 3.24Å; K43-E49 IonicContact NZ-OE2 2.97Å; K43-E49 PolarHBondContact NZ-OE2 2.79Å; G44-E49 WeakPolarHBondContact CA-O 2.9Å; G44-E49 WeakPolarHBondContact O-CA 3.41Å; G46-E49 PolarHBondContact O-N 3.3Å; E49-G51 VanDerWaalsContact C-N 3.33Å; E49-G51 PolarHBondContact O-N 3.02Å |
| 50 | Q | 94.9 | Very high | 92.4 | Very high | 136 Ų | 136 | 106.7 Ų | 106.7 | 64% | 0.636 | 58% | 0.578 | S | S | * | * | trans | -78.8 | -6.7 | -167.7 | 75.7 | -75.6 | -12.2 | 0 | 0 | 115.7 | S48 | S48-Q50 PolarHBondContact O-N 2.92Å; S48-Q50 VanDerWaalsContact O-N 3.09Å | ||
| 51 | G | 95.2 | Very high | 92.2 | Very high | 30 Ų | 30 | 109 Ų | 109 | 31% | 0.309 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -73 | 152.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G44 L45 E49 T53 | G44-G51 WeakPolarHBondContact CA-O 3.35Å; L45-G51 WeakPolarHBondContact O-CA 3.15Å; L45-G51 PolarHBondContact O-N 3.22Å; E49-G51 VanDerWaalsContact C-N 3.33Å; E49-G51 PolarHBondContact O-N 3.02Å; G51-T53 PolarHBondContact O-N 3.22Å |
| 52 | S | 93.7 | Very high | 92.2 | Very high | 97 Ų | 97 | 110.4 Ų | 110.4 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | trans | -64 | 136.2 | 175.6 | 60.5 | 0 | 0 | 0 | 0 | 111.5 | D54 | S52-D54 VanDerWaalsContact C-N 3.34Å; S52-D54 PolarHBondContact OG-O 3.38Å | ||
| 53 | T | 92.4 | Very high | 92 | Very high | 98 Ų | 98 | 111 Ų | 111 | 60% | 0.601 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -69.9 | -34.6 | 172 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | G42 G51 | G42-T53 VanDerWaalsContact O-CG2 3.28Å; G42-T53 WeakPolarHBondContact O-CG2 3.13Å; G51-T53 PolarHBondContact O-N 3.22Å |
| 54 | D | 90.6 | Very high | 91.7 | Very high | 92 Ų | 92 | 117.2 Ų | 117.2 | 49% | 0.492 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -88.8 | 150.4 | 178 | -92.2 | 22.2 | 0 | 0 | 0 | 112.3 | S52 K57 | S52-D54 VanDerWaalsContact C-N 3.34Å; S52-D54 PolarHBondContact OG-O 3.38Å; D54-K57 IonicContact OD2-NZ 2.65Å; D54-K57 PolarHBondContact OD2-NZ 2.84Å |
| 55 | H | 89.8 | Confident | 91.2 | Very high | 140 Ų | 140 | 122 Ų | 122 | 65% | 0.648 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 154.2 | 169.4 | 61.3 | -89.8 | 0 | 0 | 0 | 111.8 | K57 | H55-K57 PolarHBondContact O-N 3.37Š|
| 56 | I | 93.1 | Very high | 90.9 | Very high | 153 Ų | 153 | 119.3 Ų | 119.3 | 79% | 0.785 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 121.6 | 175.4 | -58.2 | 173.9 | 0 | 0 | 0 | 109.7 | ||
| 57 | K | 91.8 | Very high | 90.5 | Very high | 144 Ų | 144 | 124.6 Ų | 124.6 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | trans | -92 | 112.3 | -179.1 | -68.9 | 163.7 | -169.3 | 156.7 | 0 | 110.2 | D54 H55 | D54-K57 IonicContact OD2-NZ 2.65Å; D54-K57 PolarHBondContact OD2-NZ 2.84Å; H55-K57 PolarHBondContact O-N 3.37Å | ||
| 58 | V | 91.4 | Very high | 89.9 | Confident | 123 Ų | 123 | 115.9 Ų | 115.9 | 75% | 0.745 | 63% | 0.63 | S | S | * | * | trans | -89 | 121.9 | 178.3 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | V60 | V58-V60 PolarHBondContact O-N 3.39Š| ||
| 59 | K | 89 | Confident | 89.2 | Confident | 203 Ų | 203 | 113.5 Ų | 113.5 | 88% | 0.883 | 62% | 0.616 | S | S | * | * | trans | -84.1 | 103.4 | 172.3 | -173.2 | 175.7 | -177.7 | 176.8 | 0 | 109.9 | K61 | K59-K61 PolarHBondContact O-N 3.36Š| ||
| 60 | V | 89.3 | Confident | 88.2 | Confident | 105 Ų | 105 | 113.2 Ų | 113.2 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | trans | -66 | 133.3 | 176.1 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | V58 N62 | V58-V60 PolarHBondContact O-N 3.39Å; V60-N62 WeakPolarHBondContact CG1-OD1 3.37Å; V60-N62 PolarHBondContact O-N 2.73Å; V60-N62 PolarHBondContact O-OD1 3.28Å | ||
| 61 | K | 89.1 | Confident | 86.9 | Confident | 100 Ų | 100 | 110.8 Ų | 110.8 | 44% | 0.435 | 62% | 0.621 | S | S | . | * | trans | -92.6 | 98 | 178.1 | -174.2 | -175.3 | 173.7 | -173.4 | 0 | 110.1 | K59 N63 H65 L67 | K59-K61 PolarHBondContact O-N 3.36Å; K61-N63 WeakPolarHBondContact CE-OD1 3.1Å; K61-N63 WeakPolarHBondContact CG-OD1 3.36Å; K61-H65 WeakPolarHBondContact CE-O 3.33Å; K61-H65 PolarHBondContact NZ-O 3.39Å; K61-L67 HydrophobicContact CD-CD2 4.15Å | ||
| 62 | N | 89.3 | Confident | 85.5 | Confident | 150 Ų | 150 | 113.9 Ų | 113.9 | 80% | 0.802 | 64% | 0.638 | S | S | * | * | trans | -90.7 | 2.9 | 178.2 | -64.5 | 77.7 | 0 | 0 | 0 | 114 | V60 | V60-N62 WeakPolarHBondContact CG1-OD1 3.37Å; V60-N62 PolarHBondContact O-N 2.73Å; V60-N62 PolarHBondContact O-OD1 3.28Å | ||
| 63 | N | 85.9 | Confident | 84.2 | Confident | 74 Ų | 74 | 114.2 Ų | 114.2 | 40% | 0.396 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -104.7 | 156.6 | -178.1 | 70.7 | 0.2 | 0 | 0 | 0 | 112.6 | K61 | K61-N63 WeakPolarHBondContact CE-OD1 3.1Å; K61-N63 WeakPolarHBondContact CG-OD1 3.36Å |
| 64 | K | 87.8 | Confident | 82.9 | Confident | 215 Ų | 215 | 114.6 Ų | 114.6 | 94% | 0.935 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -89.1 | -2.8 | 179.2 | -65 | -176.1 | -68.5 | 178.7 | 0 | 113.9 | ||
| 65 | H | 84.3 | Confident | 81.9 | Confident | 110 Ų | 110 | 112.3 Ų | 112.3 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -71.4 | 169.7 | -179.5 | -56.6 | 117.5 | 0 | 0 | 0 | 112.1 | K61 A69 | K61-H65 WeakPolarHBondContact CE-O 3.33Å; K61-H65 PolarHBondContact NZ-O 3.39Å; H65-A69 HydrophobicContact CB-CB 3.78Å |
| 66 | G | 85.8 | Confident | 81.2 | Confident | 47 Ų | 47 | 109.7 Ų | 109.7 | 49% | 0.485 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 168.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A69 | G66-A69 WeakPolarHBondContact O-CB 3.37Š|
| 67 | L | 85.4 | Confident | 80.4 | Confident | 159 Ų | 159 | 111.9 Ų | 111.9 | 83% | 0.832 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 139.9 | 161.2 | -68.3 | 168.4 | 0 | 0 | 0 | 108.1 | K61 A69 | K61-L67 HydrophobicContact CD-CD2 4.15Å; L67-A69 PolarHBondContact O-N 3.43Å |
| 68 | G | 81.6 | Confident | 79.7 | Confident | 66 Ų | 66 | 106.3 Ų | 106.3 | 68% | 0.68 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.9 | -4.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N70 | G68-N70 PolarHBondContact O-N 2.98Å; G68-N70 VanDerWaalsContact O-N 3.12Å; G68-N70 PolarHBondContact O-OD1 3.18Å |
| 69 | A | 79.4 | Confident | 79 | Confident | 47 Ų | 47 | 102 Ų | 102 | 39% | 0.388 | 56% | 0.555 | S | S | . | * | trans | -76.6 | 99.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | H65 G66 L67 | H65-A69 HydrophobicContact CB-CB 3.78Å; G66-A69 WeakPolarHBondContact O-CB 3.37Å; L67-A69 PolarHBondContact O-N 3.43Å | ||
| 70 | N | 73.4 | Confident | 78.8 | Confident | 88 Ų | 88 | 98.8 Ų | 98.8 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | trans | -87.3 | 131 | 178.2 | -52.4 | -39.4 | 0 | 0 | 0 | 109.4 | G68 S72 H73 | G68-N70 PolarHBondContact O-N 2.98Å; G68-N70 VanDerWaalsContact O-N 3.12Å; G68-N70 PolarHBondContact O-OD1 3.18Å; N70-S72 PolarHBondContact O-N 2.99Å; N70-S72 VanDerWaalsContact O-N 3.1Å; N70-H73 HydrophobicContact CB-CB 4.45Å; N70-H73 PolarHBondContact ND2-CE1 2.87Å; N70-H73 VanDerWaalsContact ND2-CE1 3.3Å; N70-H73 PolarHBondContact ND2-NE2 3.06Å; N70-H73 PolarHBondContact O-N 3.31Å | ||
| 71 | A | 65.8 | Low | 78.7 | Confident | 86 Ų | 86 | 98.7 Ų | 98.7 | 71% | 0.711 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -58.3 | -27.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H73 | A71-H73 VanDerWaalsContact C-N 3.28Å; A71-H73 PolarHBondContact O-N 3.4Å |
| 72 | S | 66.5 | Low | 78.5 | Confident | 95 Ų | 95 | 97.4 Ų | 97.4 | 66% | 0.664 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -72.2 | -12.5 | 176.5 | -176.2 | 0 | 0 | 0 | 0 | 114.3 | N70 | N70-S72 PolarHBondContact O-N 2.99Å; N70-S72 VanDerWaalsContact O-N 3.1Å |
| 73 | H | 65.8 | Low | 78.5 | Confident | 104 Ų | 104 | 95.6 Ų | 95.6 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -84.4 | -5 | -178.2 | -75.3 | 12.4 | 0 | 0 | 0 | 114.6 | N70 A71 D75 N76 | N70-H73 HydrophobicContact CB-CB 4.45Å; N70-H73 PolarHBondContact ND2-CE1 2.87Å; N70-H73 VanDerWaalsContact ND2-CE1 3.3Å; N70-H73 PolarHBondContact ND2-NE2 3.06Å; N70-H73 PolarHBondContact O-N 3.31Å; A71-H73 VanDerWaalsContact C-N 3.28Å; A71-H73 PolarHBondContact O-N 3.4Å; H73-D75 VanDerWaalsContact C-N 3.27Å; H73-D75 PolarHBondContact O-N 2.97Å; H73-N76 PolarHBondContact O-N 3.36Å |
| 74 | E | 66.3 | Low | 78.9 | Confident | 105 Ų | 105 | 97.1 Ų | 97.1 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -69.1 | -23.2 | 177.4 | -59.6 | -175.9 | -169.8 | 0 | 0 | 113.4 | W77 R150 | E74-W77 VanDerWaalsContact O-CD1 3.26Å; E74-R150 VanDerWaalsContact CB-NH1 3.34Å; E74-R150 PolarHBondContact O-NH2 2.69Å; E74-R150 IonicContact OE2-CZ 3.95Å; E74-R150 IonicContact OE2-NH1 2.86Å; E74-R150 PolarHBondContact OE2-NH1 3.25Å |
| 75 | D | 68.7 | Low | 79 | Confident | 44 Ų | 44 | 90.2 Ų | 90.2 | 24% | 0.235 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -80.7 | -18.1 | 179.9 | -80.2 | -10.5 | 0 | 0 | 0 | 113.1 | H73 W77 I78 A79 R150 K152 | H73-D75 VanDerWaalsContact C-N 3.27Å; H73-D75 PolarHBondContact O-N 2.97Å; D75-W77 PolarHBondContact O-N 2.95Å; D75-W77 VanDerWaalsContact O-N 3.09Å; D75-I78 PolarHBondContact O-N 3Å; D75-A79 PolarHBondContact O-N 3.37Å; D75-A79 VanDerWaalsContact O-N 3.1Å; D75-R150 IonicContact OD1-CZ 2.92Å; D75-R150 IonicContact OD1-NE 2.84Å; D75-R150 PolarHBondContact OD1-NE 3.49Å; D75-R150 IonicContact OD1-NH2 3.81Å; D75-R150 PolarHBondContact OD1-NH2 3.26Å; D75-K152 WeakPolarHBondContact OD2-CE 2.93Å; D75-K152 IonicContact OD2-NZ 2.73Å |
| 76 | N | 75.3 | Confident | 79.4 | Confident | 86 Ų | 86 | 90.5 Ų | 90.5 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -23.5 | -172.7 | -67 | -9.2 | 0 | 0 | 0 | 113.8 | H73 | H73-N76 PolarHBondContact O-N 3.36Å |
| 77 | W | 76 | Confident | 79.9 | Confident | 199 Ų | 199 | 93.1 Ų | 93.1 | 75% | 0.754 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -78.6 | -21.2 | 177.1 | 89.6 | -89.2 | 0 | 0 | 0 | 113.4 | E74 D75 | E74-W77 VanDerWaalsContact O-CD1 3.26Å; D75-W77 PolarHBondContact O-N 2.95Å; D75-W77 VanDerWaalsContact O-N 3.09Å |
| 78 | I | 76.9 | Confident | 80.2 | Confident | 26 Ų | 26 | 88.9 Ų | 88.9 | 13% | 0.133 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -93.9 | -28.2 | 177.5 | -52.6 | -178.8 | 0 | 0 | 0 | 110.6 | D75 H80 Q81 D82 G148 | D75-I78 PolarHBondContact O-N 3Å; I78-H80 VanDerWaalsContact C-N 3.33Å; I78-H80 PolarHBondContact O-N 2.92Å; I78-Q81 WeakPolarHBondContact O-CA 3.5Å; I78-Q81 WeakPolarHBondContact O-CB 3.36Å; I78-Q81 PolarHBondContact O-N 2.82Å; I78-D82 PolarHBondContact O-N 2.93Å; I78-G148 WeakPolarHBondContact CD1-O 2.96Å |
| 79 | A | 78.7 | Confident | 80.7 | Confident | 33 Ų | 33 | 87.9 Ų | 87.9 | 27% | 0.273 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -45.5 | -51 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D75 Q81 D82 E83 | D75-A79 PolarHBondContact O-N 3.37Å; D75-A79 VanDerWaalsContact O-N 3.1Å; A79-Q81 VanDerWaalsContact C-N 3.3Å; A79-Q81 PolarHBondContact O-N 2.97Å; A79-D82 PolarHBondContact O-N 2.94Å; A79-E83 WeakPolarHBondContact O-CB 3.1Å; A79-E83 VanDerWaalsContact O-CG 3.27Å; A79-E83 WeakPolarHBondContact O-CG 3.4Å; A79-E83 PolarHBondContact O-N 2.84Å |
| 80 | H | 84.3 | Confident | 81.4 | Confident | 135 Ų | 135 | 90.5 Ų | 90.5 | 63% | 0.625 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.3 | -27.7 | 179.6 | -60.8 | -41.5 | 0 | 0 | 0 | 114.5 | I78 E83 F84 | I78-H80 VanDerWaalsContact C-N 3.33Å; I78-H80 PolarHBondContact O-N 2.92Å; H80-E83 WeakPolarHBondContact CA-OE2 3.33Å; H80-E83 IonicContact CE1-OE2 2.87Å; H80-E83 IonicContact CG-OE2 2.69Å; H80-E83 IonicContact ND1-OE2 3.97Å; H80-E83 PolarHBondContact ND1-OE2 3.5Å; H80-F84 WeakPolarHBondContact O-CB 3.08Å; H80-F84 PolarHBondContact O-N 2.84Å; H80-F84 VanDerWaalsContact O-N 3.11Å |
| 81 | Q | 86.5 | Confident | 82.3 | Confident | 103 Ų | 103 | 90.6 Ų | 90.6 | 48% | 0.481 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -74.7 | -39.7 | 173.8 | -176 | 61.6 | 62.4 | 0 | 0 | 110.8 | I78 A79 F84 N85 | I78-Q81 WeakPolarHBondContact O-CA 3.5Å; I78-Q81 WeakPolarHBondContact O-CB 3.36Å; I78-Q81 PolarHBondContact O-N 2.82Å; A79-Q81 VanDerWaalsContact C-N 3.3Å; A79-Q81 PolarHBondContact O-N 2.97Å; Q81-F84 PolarHBondContact O-N 3.41Å; Q81-N85 PolarHBondContact NE2-OD1 3.4Å; Q81-N85 WeakPolarHBondContact O-CB 3.48Å; Q81-N85 PolarHBondContact O-N 3.11Å; Q81-N85 PolarHBondContact O-ND2 2.83Å; Q81-N85 PolarHBondContact O-OD1 2.91Å |
| 82 | D | 85.3 | Confident | 83.6 | Confident | 73 Ų | 73 | 91.8 Ų | 91.8 | 39% | 0.39 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.4 | -41.9 | 175.6 | -75.6 | -23.3 | 0 | 0 | 0 | 111.7 | I78 A79 F84 N85 E86 | I78-D82 PolarHBondContact O-N 2.93Å; A79-D82 PolarHBondContact O-N 2.94Å; D82-F84 VanDerWaalsContact C-N 3.32Å; D82-F84 PolarHBondContact O-N 2.8Å; D82-N85 WeakPolarHBondContact O-CB 3.43Å; D82-N85 PolarHBondContact O-N 2.76Å; D82-E86 WeakPolarHBondContact O-CB 3.46Å; D82-E86 PolarHBondContact O-N 3.03Å |
| 83 | E | 89.8 | Confident | 84.6 | Confident | 112 Ų | 112 | 93 Ų | 93 | 52% | 0.523 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.3 | -43.8 | 171.1 | -73.6 | 163.4 | -175.9 | 0 | 0 | 111.7 | A79 H80 E86 L87 | A79-E83 WeakPolarHBondContact O-CB 3.1Å; A79-E83 VanDerWaalsContact O-CG 3.27Å; A79-E83 WeakPolarHBondContact O-CG 3.4Å; A79-E83 PolarHBondContact O-N 2.84Å; H80-E83 WeakPolarHBondContact CA-OE2 3.33Å; H80-E83 IonicContact CE1-OE2 2.87Å; H80-E83 IonicContact CG-OE2 2.69Å; H80-E83 IonicContact ND1-OE2 3.97Å; H80-E83 PolarHBondContact ND1-OE2 3.5Å; E83-E86 PolarHBondContact O-N 2.99Å; E83-L87 WeakPolarHBondContact O-CB 3.44Å; E83-L87 PolarHBondContact O-N 2.86Å |
| 84 | F | 92.9 | Very high | 85.5 | Confident | 106 Ų | 106 | 95 Ų | 95 | 47% | 0.465 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.8 | -39 | 176.4 | -180 | -106.5 | 0 | 0 | 0 | 112.6 | H80 Q81 D82 E86 L87 L88 | H80-F84 WeakPolarHBondContact O-CB 3.08Å; H80-F84 PolarHBondContact O-N 2.84Å; H80-F84 VanDerWaalsContact O-N 3.11Å; Q81-F84 PolarHBondContact O-N 3.41Å; D82-F84 VanDerWaalsContact C-N 3.32Å; D82-F84 PolarHBondContact O-N 2.8Å; F84-E86 VanDerWaalsContact C-N 3.32Å; F84-L87 PolarHBondContact O-N 3.1Å; F84-L88 HydrophobicContact CD1-CD1 4Å; F84-L88 HydrophobicContact CD1-CG 4.46Å; F84-L88 HydrophobicContact CE1-CD1 3.44Å; F84-L88 VanDerWaalsContact CE1-CD1 3.44Å; F84-L88 HydrophobicContact CE1-CG 4.07Å; F84-L88 HydrophobicContact CE2-CG 4.37Å; F84-L88 HydrophobicContact CZ-CD1 3.77Å; F84-L88 HydrophobicContact CZ-CD2 4.19Å; F84-L88 HydrophobicContact CZ-CG 4.01Å; F84-L88 WeakPolarHBondContact O-CG 3.49Å; F84-L88 PolarHBondContact O-N 2.98Å |
| 85 | N | 90.7 | Very high | 86.2 | Confident | 70 Ų | 70 | 96.5 Ų | 96.5 | 37% | 0.374 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 174.4 | -64.9 | -26.9 | 0 | 0 | 0 | 111.2 | Q81 D82 L88 A89 | Q81-N85 PolarHBondContact NE2-OD1 3.4Å; Q81-N85 WeakPolarHBondContact O-CB 3.48Å; Q81-N85 PolarHBondContact O-N 3.11Å; Q81-N85 PolarHBondContact O-ND2 2.83Å; Q81-N85 PolarHBondContact O-OD1 2.91Å; D82-N85 WeakPolarHBondContact O-CB 3.43Å; D82-N85 PolarHBondContact O-N 2.76Å; N85-L88 PolarHBondContact O-N 3.38Å; N85-A89 PolarHBondContact O-N 2.94Å |
| 86 | E | 93.4 | Very high | 86 | Confident | 116 Ų | 116 | 96.2 Ų | 96.2 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 175 | -172.1 | -179.2 | 160.6 | 0 | 0 | 111.2 | D82 E83 F84 L88 A89 Q90 | D82-E86 WeakPolarHBondContact O-CB 3.46Å; D82-E86 PolarHBondContact O-N 3.03Å; E83-E86 PolarHBondContact O-N 2.99Å; F84-E86 VanDerWaalsContact C-N 3.32Å; E86-L88 VanDerWaalsContact C-N 3.31Å; E86-L88 PolarHBondContact O-N 3.25Å; E86-A89 WeakPolarHBondContact O-CB 3.27Å; E86-A89 PolarHBondContact O-N 3.39Å; E86-A89 VanDerWaalsContact O-N 3.1Å; E86-Q90 HydrophobicContact CG-CG 4.5Å; E86-Q90 WeakPolarHBondContact O-CG 3.45Å; E86-Q90 PolarHBondContact O-N 2.84Å; E86-Q90 PolarHBondContact OE1-NE2 3.3Å |
| 87 | L | 94.9 | Very high | 85.3 | Confident | 102 Ų | 102 | 99.7 Ų | 99.7 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.5 | -41.8 | 174.6 | 178.6 | 63.7 | 0 | 0 | 0 | 112 | E83 F84 L91 | E83-L87 WeakPolarHBondContact O-CB 3.44Å; E83-L87 PolarHBondContact O-N 2.86Å; F84-L87 PolarHBondContact O-N 3.1Å; L87-L91 VanDerWaalsContact O-CB 3.29Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 PolarHBondContact O-N 3.45Å |
| 88 | L | 92.4 | Very high | 84.3 | Confident | 70 Ų | 70 | 97.8 Ų | 97.8 | 37% | 0.366 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 175.1 | -73.2 | -179.2 | 0 | 0 | 0 | 112.5 | F84 N85 E86 N92 | F84-L88 HydrophobicContact CD1-CD1 4Å; F84-L88 HydrophobicContact CD1-CG 4.46Å; F84-L88 HydrophobicContact CE1-CD1 3.44Å; F84-L88 VanDerWaalsContact CE1-CD1 3.44Å; F84-L88 HydrophobicContact CE1-CG 4.07Å; F84-L88 HydrophobicContact CE2-CG 4.37Å; F84-L88 HydrophobicContact CZ-CD1 3.77Å; F84-L88 HydrophobicContact CZ-CD2 4.19Å; F84-L88 HydrophobicContact CZ-CG 4.01Å; F84-L88 WeakPolarHBondContact O-CG 3.49Å; F84-L88 PolarHBondContact O-N 2.98Å; N85-L88 PolarHBondContact O-N 3.38Å; E86-L88 VanDerWaalsContact C-N 3.31Å; E86-L88 PolarHBondContact O-N 3.25Å; L88-N92 WeakPolarHBondContact O-CB 3.22Å; L88-N92 VanDerWaalsContact O-CG 3.23Å; L88-N92 PolarHBondContact O-N 3.06Å; L88-N92 PolarHBondContact O-ND2 3.47Å; L88-N92 VanDerWaalsContact O-ND2 3.17Å |
| 89 | A | 91.9 | Very high | 83.3 | Confident | 46 Ų | 46 | 101.8 Ų | 101.8 | 38% | 0.38 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.5 | -52.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | N85 E86 L91 N92 D93 | N85-A89 PolarHBondContact O-N 2.94Å; E86-A89 WeakPolarHBondContact O-CB 3.27Å; E86-A89 PolarHBondContact O-N 3.39Å; E86-A89 VanDerWaalsContact O-N 3.1Å; A89-L91 VanDerWaalsContact C-N 3.27Å; A89-L91 PolarHBondContact O-N 3.42Å; A89-N92 CarbonylContact O-C 3.59Å; A89-N92 WeakPolarHBondContact O-CA 3.29Å; A89-N92 WeakPolarHBondContact O-CB 3.38Å; A89-N92 PolarHBondContact O-N 2.92Å; A89-D93 VanDerWaalsContact O-CG 3.24Å; A89-D93 PolarHBondContact O-N 2.91Å |
| 90 | Q | 94.1 | Very high | 81.9 | Confident | 102 Ų | 102 | 105.9 Ų | 105.9 | 48% | 0.477 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -56.3 | -39.6 | 176.4 | -68.1 | 175.5 | 7.2 | 0 | 0 | 112.3 | E86 D93 H94 | E86-Q90 HydrophobicContact CG-CG 4.5Å; E86-Q90 WeakPolarHBondContact O-CG 3.45Å; E86-Q90 PolarHBondContact O-N 2.84Å; E86-Q90 PolarHBondContact OE1-NE2 3.3Å; Q90-D93 PolarHBondContact O-N 2.9Å; Q90-H94 WeakPolarHBondContact O-CB 3.31Å; Q90-H94 PolarHBondContact O-N 3.35Å |
| 91 | L | 93.3 | Very high | 80.2 | Confident | 89 Ų | 89 | 105.8 Ų | 105.8 | 47% | 0.466 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.2 | -41.1 | 176.2 | -169.6 | 74.5 | 0 | 0 | 0 | 111.9 | L87 A89 H94 H95 | L87-L91 VanDerWaalsContact O-CB 3.29Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 PolarHBondContact O-N 3.45Å; A89-L91 VanDerWaalsContact C-N 3.27Å; A89-L91 PolarHBondContact O-N 3.42Å; L91-H94 PolarHBondContact O-N 2.88Å; L91-H95 WeakPolarHBondContact O-CB 3.4Å; L91-H95 PolarHBondContact O-CD2 2.92Å; L91-H95 PolarHBondContact O-N 3.38Å |
| 92 | N | 91.9 | Very high | 78.4 | Confident | 112 Ų | 112 | 109.8 Ų | 109.8 | 60% | 0.599 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.7 | -37.5 | 174 | -74.9 | -29.3 | 0 | 0 | 0 | 111.7 | L88 A89 G96 | L88-N92 WeakPolarHBondContact O-CB 3.22Å; L88-N92 VanDerWaalsContact O-CG 3.23Å; L88-N92 PolarHBondContact O-N 3.06Å; L88-N92 PolarHBondContact O-ND2 3.47Å; L88-N92 VanDerWaalsContact O-ND2 3.17Å; A89-N92 CarbonylContact O-C 3.59Å; A89-N92 WeakPolarHBondContact O-CA 3.29Å; A89-N92 WeakPolarHBondContact O-CB 3.38Å; A89-N92 PolarHBondContact O-N 2.92Å; N92-G96 WeakPolarHBondContact O-CA 3.32Å; N92-G96 PolarHBondContact O-N 3.38Å |
| 93 | D | 88.3 | Confident | 76.8 | Confident | 120 Ų | 120 | 109.5 Ų | 109.5 | 64% | 0.642 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67 | -39.1 | 176.7 | -63.2 | -28.4 | 0 | 0 | 0 | 111.2 | A89 Q90 | A89-D93 VanDerWaalsContact O-CG 3.24Å; A89-D93 PolarHBondContact O-N 2.91Å; Q90-D93 PolarHBondContact O-N 2.9Å |
| 94 | H | 83.9 | Confident | 74.6 | Confident | 146 Ų | 146 | 107.3 Ų | 107.3 | 68% | 0.676 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -76.7 | -35.6 | -179.5 | -167.5 | -100.2 | 0 | 0 | 0 | 113.7 | Q90 L91 | Q90-H94 WeakPolarHBondContact O-CB 3.31Å; Q90-H94 PolarHBondContact O-N 3.35Å; L91-H94 PolarHBondContact O-N 2.88Å |
| 95 | H | 81 | Confident | 72.7 | Confident | 136 Ų | 136 | 108.4 Ų | 108.4 | 63% | 0.63 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -101.9 | -10.1 | -179.5 | -70.8 | -83.1 | 0 | 0 | 0 | 114.7 | L91 Q97 | L91-H95 WeakPolarHBondContact O-CB 3.4Å; L91-H95 PolarHBondContact O-CD2 2.92Å; L91-H95 PolarHBondContact O-N 3.38Å; H95-Q97 PolarHBondContact O-N 3.47Å; H95-Q97 VanDerWaalsContact O-N 3.11Å |
| 96 | G | 64.1 | Low | 70.6 | Confident | 38 Ų | 38 | 110.7 Ų | 110.7 | 39% | 0.392 | 61% | 0.605 | S | S | . | * | trans | -75.7 | 10.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | N92 N98 T99 | N92-G96 WeakPolarHBondContact O-CA 3.32Å; N92-G96 PolarHBondContact O-N 3.38Å; G96-N98 PolarHBondContact O-N 2.92Å; G96-T99 PolarHBondContact O-N 3.36Å | ||
| 97 | Q | 60.3 | Low | 68.5 | Low | 159 Ų | 159 | 111.7 Ų | 111.7 | 74% | 0.743 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 21.6 | -176.1 | -68.5 | -67.3 | -38.4 | 0 | 0 | 115.3 | H95 | H95-Q97 PolarHBondContact O-N 3.47Å; H95-Q97 VanDerWaalsContact O-N 3.11Å |
| 98 | N | 55.7 | Low | 66.5 | Low | 159 Ų | 159 | 114.1 Ų | 114.1 | 85% | 0.85 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | 16.4 | 178.6 | -83.7 | -57.9 | 0 | 0 | 0 | 115.2 | G96 | G96-N98 PolarHBondContact O-N 2.92Š|
| 99 | T | 55.4 | Low | 64.8 | Low | 111 Ų | 111 | 117.5 Ų | 117.5 | 68% | 0.681 | 63% | 0.632 | S | S | * | * | trans | -127.2 | 85.2 | 160.8 | 55.7 | 0 | 0 | 0 | 0 | 110.4 | G96 N101 | G96-T99 PolarHBondContact O-N 3.36Å; T99-N101 PolarHBondContact O-N 2.89Å | ||
| 100 | S | 49.4 | Very low | 63.3 | Low | 118 Ų | 118 | 119 Ų | 119 | 83% | 0.825 | 64% | 0.639 | S | S | * | * | trans | -64.6 | 89.8 | 165 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 101 | N | 48.4 | Very low | 61.9 | Low | 134 Ų | 134 | 121.6 Ų | 121.6 | 72% | 0.717 | 65% | 0.649 | S | S | * | * | trans | -130.1 | 71.4 | 158.3 | -81.8 | -55.5 | 0 | 0 | 0 | 105.9 | T99 V103 | T99-N101 PolarHBondContact O-N 2.89Å; N101-V103 HydrophobicContact CB-CG2 4.35Å; N101-V103 PolarHBondContact O-N 3.34Å | ||
| 102 | E | 49.5 | Very low | 61.3 | Low | 186 Ų | 186 | 118.5 Ų | 118.5 | 87% | 0.869 | 64% | 0.635 | S | S | * | * | trans | -64.2 | 83.9 | 161.1 | -173.1 | -178.9 | -136.5 | 0 | 0 | 107.4 | P104 | E102-P104 WeakPolarHBondContact O-CD 3.44Š| ||
| 103 | V | 51.5 | Low | 60.9 | Low | 68 Ų | 68 | 115.9 Ų | 115.9 | 41% | 0.412 | 62% | 0.621 | S | S | . | * | trans | -81 | 112.7 | 171.9 | 179.3 | 0 | 0 | 0 | 0 | 106.4 | N101 E107 | N101-V103 HydrophobicContact CB-CG2 4.35Å; N101-V103 PolarHBondContact O-N 3.34Å; V103-E107 HydrophobicContact CG1-CB 3.92Å | ||
| 104 | P | 44.3 | Very low | 60.6 | Low | 65 Ų | 65 | 111.7 Ų | 111.7 | 42% | 0.422 | 60% | 0.597 | S | S | . | * | trans | -61.4 | 148.6 | -179.2 | 25.5 | -34 | 0 | 0 | 0 | 110.3 | E102 D106 E107 | E102-P104 WeakPolarHBondContact O-CD 3.44Å; P104-D106 PolarHBondContact O-N 3.04Å; P104-E107 HydrophobicContact CG-CG 4.38Å; P104-E107 PolarHBondContact O-N 2.84Å | ||
| 105 | P | 52.9 | Low | 60.7 | Low | 130 Ų | 130 | 111 Ų | 111 | 84% | 0.844 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -12.9 | -172.7 | 23 | -33.7 | 0 | 0 | 0 | 114.5 | ||
| 106 | D | 46.7 | Very low | 60.8 | Low | 118 Ų | 118 | 109.9 Ų | 109.9 | 63% | 0.631 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -15.9 | 174.9 | -118.4 | -46.5 | 0 | 0 | 0 | 114.6 | P104 K109 | P104-D106 PolarHBondContact O-N 3.04Å; D106-K109 PolarHBondContact O-NZ 2.82Å; D106-K109 IonicContact OD1-NZ 2.64Å; D106-K109 PolarHBondContact OD1-NZ 3.11Å |
| 107 | E | 47.8 | Very low | 61.6 | Low | 137 Ų | 137 | 108.5 Ų | 108.5 | 64% | 0.64 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -102.8 | -3.4 | -178.4 | -68.7 | -161.6 | 172.9 | 0 | 0 | 114.6 | V103 P104 K109 | V103-E107 HydrophobicContact CG1-CB 3.92Å; P104-E107 HydrophobicContact CG-CG 4.38Å; P104-E107 PolarHBondContact O-N 2.84Å; E107-K109 PolarHBondContact O-N 2.91Å |
| 108 | M | 52.9 | Low | 62.8 | Low | 153 Ų | 153 | 106.9 Ų | 106.9 | 75% | 0.754 | 56% | 0.562 | S | S | * | * | trans | -74.8 | 27.2 | 163.9 | -68.2 | -138.4 | -177 | 0 | 0 | 113.3 | S110 | M108-S110 PolarHBondContact O-N 2.99Š| ||
| 109 | K | 58 | Low | 64 | Low | 141 Ų | 141 | 104.3 Ų | 104.3 | 61% | 0.613 | 55% | 0.553 | S | S | * | * | trans | -66.2 | 86.5 | 159.7 | -69 | -175.7 | -175.4 | 82.3 | 0 | 107.8 | D106 E107 F111 | D106-K109 PolarHBondContact O-NZ 2.82Å; D106-K109 IonicContact OD1-NZ 2.64Å; D106-K109 PolarHBondContact OD1-NZ 3.11Å; E107-K109 PolarHBondContact O-N 2.91Å; K109-F111 PolarHBondContact O-N 2.97Å | ||
| 110 | S | 59.3 | Low | 65.2 | Low | 78 Ų | 78 | 101.2 Ų | 101.2 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | trans | -39.3 | 107.8 | 177 | 55.9 | 0 | 0 | 0 | 0 | 110.1 | M108 S112 S136 | M108-S110 PolarHBondContact O-N 2.99Å; S110-S112 PolarHBondContact O-N 3.37Å; S110-S136 WeakPolarHBondContact OG-CB 3.36Å | ||
| 111 | F | 65.8 | Low | 66.4 | Low | 155 Ų | 155 | 106 Ų | 106 | 68% | 0.68 | 54% | 0.541 | S | S | * | . | trans | -56.3 | 107.5 | -168 | -78.3 | -83.8 | 0 | 0 | 0 | 110 | K109 L113 K116 | K109-F111 PolarHBondContact O-N 2.97Å; F111-L113 PolarHBondContact O-N 3.2Å; F111-K116 HydrophobicContact CB-CD 3.91Å; F111-K116 VanDerWaalsContact CB-NZ 3.32Å; F111-K116 HydrophobicContact CD1-CD 4.44Å; F111-K116 HydrophobicContact CG-CD 4.42Å | ||
| 112 | S | 81.1 | Confident | 67.6 | Low | 25 Ų | 25 | 109.6 Ų | 109.6 | 18% | 0.175 | 55% | 0.551 | C | S | . | * | trans | -55.8 | 119.8 | -178.4 | 170.2 | 0 | 0 | 0 | 0 | 108.7 | S110 E114 E115 K116 D134 | S110-S112 PolarHBondContact O-N 3.37Å; S112-E114 PolarHBondContact O-N 3.01Å; S112-E114 PolarHBondContact OG-N 3.05Å; S112-E115 PolarHBondContact O-N 3.09Å; S112-E115 VanDerWaalsContact O-N 3.13Å; S112-E115 PolarHBondContact OG-N 2.69Å; S112-K116 PolarHBondContact O-N 3.44Å; S112-D134 VanDerWaalsContact CA-OD2 3.24Å; S112-D134 WeakPolarHBondContact CA-OD2 3.25Å; S112-D134 WeakPolarHBondContact CB-OD2 3.49Å; S112-D134 PolarHBondContact OG-OD2 2.57Å | ||
| 113 | L | 82.2 | Confident | 68.7 | Low | 57 Ų | 57 | 108.2 Ų | 108.2 | 30% | 0.298 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.9 | -33.3 | 178.8 | -170.6 | 151.8 | 0 | 0 | 0 | 109.2 | F111 S117 T130 K133 D134 | F111-L113 PolarHBondContact O-N 3.2Å; L113-S117 VanDerWaalsContact O-CB 3.31Å; L113-S117 WeakPolarHBondContact O-CB 3.08Å; L113-S117 PolarHBondContact O-N 2.86Å; L113-S117 PolarHBondContact O-OG 3.49Å; L113-T130 HydrophobicContact CD2-CG2 3.73Å; L113-K133 HydrophobicContact CD1-CD 4.39Å; L113-K133 HydrophobicContact CD1-CG 4.29Å; L113-D134 HydrophobicContact CB-CB 4.23Å; L113-D134 PolarHBondContact N-OD2 3.11Å |
| 114 | E | 82.3 | Confident | 70 | Confident | 31 Ų | 31 | 110.9 Ų | 110.9 | 15% | 0.145 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -63.1 | -44.4 | 172.3 | -163.9 | -165.5 | 159.9 | 0 | 0 | 112.7 | S112 S117 K118 K131 D134 | S112-E114 PolarHBondContact O-N 3.01Å; S112-E114 PolarHBondContact OG-N 3.05Å; E114-S117 WeakPolarHBondContact CA-OG 3.16Å; E114-S117 PolarHBondContact O-N 2.99Å; E114-S117 PolarHBondContact O-OG 3.1Å; E114-K118 VanDerWaalsContact O-CG 3.28Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 2.96Å; E114-K118 WeakPolarHBondContact OE1-CE 3.41Å; E114-K118 IonicContact OE1-NZ 3.81Å; E114-K118 PolarHBondContact OE1-NZ 3.12Å; E114-K118 IonicContact OE2-NZ 2.69Å; E114-K131 HydrophobicContact CG-CG 4.14Å; E114-K131 WeakPolarHBondContact OE1-CE 3.4Å; E114-K131 IonicContact OE1-NZ 3.67Å; E114-K131 WeakPolarHBondContact OE2-CE 3.43Å; E114-K131 VanDerWaalsContact OE2-CG 3.26Å; E114-K131 WeakPolarHBondContact OE2-CG 3.49Å; E114-D134 PolarHBondContact N-OD2 3.05Å |
| 115 | E | 85.3 | Confident | 71.7 | Confident | 131 Ų | 131 | 110.4 Ų | 110.4 | 61% | 0.612 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.8 | -44.6 | 179.4 | -172.1 | 167.6 | -148.9 | 0 | 0 | 112.4 | S112 S117 K118 T119 | S112-E115 PolarHBondContact O-N 3.09Å; S112-E115 VanDerWaalsContact O-N 3.13Å; S112-E115 PolarHBondContact OG-N 2.69Å; E115-S117 VanDerWaalsContact C-N 3.27Å; E115-S117 PolarHBondContact O-N 3.39Å; E115-K118 PolarHBondContact O-N 3.1Å; E115-T119 PolarHBondContact O-N 3.17Å; E115-T119 PolarHBondContact O-OG1 3.2Å |
| 116 | K | 83.4 | Confident | 73.3 | Confident | 113 Ų | 113 | 111.9 Ų | 111.9 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.4 | -38.3 | 171.4 | -81.6 | -175.1 | 162.9 | 168.3 | 0 | 112.3 | F111 S112 T119 S120 | F111-K116 HydrophobicContact CB-CD 3.91Å; F111-K116 VanDerWaalsContact CB-NZ 3.32Å; F111-K116 HydrophobicContact CD1-CD 4.44Å; F111-K116 HydrophobicContact CG-CD 4.42Å; S112-K116 PolarHBondContact O-N 3.44Å; K116-T119 PolarHBondContact O-OG1 2.91Å; K116-T119 VanDerWaalsContact O-OG1 3.09Å; K116-S120 PolarHBondContact O-N 3.4Å |
| 117 | S | 82.4 | Confident | 75.1 | Confident | 9 Ų | 9 | 109.8 Ų | 109.8 | 6% | 0.063 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -74.2 | -34.9 | 179 | 58 | 0 | 0 | 0 | 0 | 112.7 | L113 E114 E115 T119 S120 H125 T130 | L113-S117 VanDerWaalsContact O-CB 3.31Å; L113-S117 WeakPolarHBondContact O-CB 3.08Å; L113-S117 PolarHBondContact O-N 2.86Å; L113-S117 PolarHBondContact O-OG 3.49Å; E114-S117 WeakPolarHBondContact CA-OG 3.16Å; E114-S117 PolarHBondContact O-N 2.99Å; E114-S117 PolarHBondContact O-OG 3.1Å; E115-S117 VanDerWaalsContact C-N 3.27Å; E115-S117 PolarHBondContact O-N 3.39Å; S117-T119 VanDerWaalsContact C-N 3.34Å; S117-T119 PolarHBondContact O-N 3.44Å; S117-S120 PolarHBondContact O-N 3.42Å; S117-S120 PolarHBondContact O-OG 3.11Å; S117-H125 WeakPolarHBondContact CB-CD2 3.45Å; S117-H125 PolarHBondContact O-CD2 3.17Å; S117-H125 PolarHBondContact OG-CD2 3Å; S117-H125 PolarHBondContact OG-NE2 2.88Å; S117-T130 WeakPolarHBondContact OG-CG2 3.33Å |
| 118 | K | 83.8 | Confident | 77.1 | Confident | 125 Ų | 125 | 111.4 Ų | 111.4 | 54% | 0.543 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 176.9 | -77 | 165.2 | -176.7 | 159.7 | 0 | 113 | E114 E115 S120 H125 | E114-K118 VanDerWaalsContact O-CG 3.28Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 2.96Å; E114-K118 WeakPolarHBondContact OE1-CE 3.41Å; E114-K118 IonicContact OE1-NZ 3.81Å; E114-K118 PolarHBondContact OE1-NZ 3.12Å; E114-K118 IonicContact OE2-NZ 2.69Å; E115-K118 PolarHBondContact O-N 3.1Å; K118-S120 VanDerWaalsContact C-N 3.34Å; K118-H125 PolarHBondContact N-CD2 3.33Å |
| 119 | T | 82.3 | Confident | 78.7 | Confident | 105 Ų | 105 | 110 Ų | 110 | 64% | 0.644 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -78 | -19 | 179.7 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | E115 K116 S117 K121 | E115-T119 PolarHBondContact O-N 3.17Å; E115-T119 PolarHBondContact O-OG1 3.2Å; K116-T119 PolarHBondContact O-OG1 2.91Å; K116-T119 VanDerWaalsContact O-OG1 3.09Å; S117-T119 VanDerWaalsContact C-N 3.34Å; S117-T119 PolarHBondContact O-N 3.44Å; T119-K121 PolarHBondContact O-N 2.97Å |
| 120 | S | 80.4 | Confident | 80 | Confident | 46 Ų | 46 | 103.4 Ų | 103.4 | 32% | 0.322 | 49% | 0.494 | S | S | . | . | trans | -78.8 | 111.6 | -178.5 | 77.4 | 0 | 0 | 0 | 0 | 113.1 | K116 S117 K118 K122 | K116-S120 PolarHBondContact O-N 3.4Å; S117-S120 PolarHBondContact O-N 3.42Å; S117-S120 PolarHBondContact O-OG 3.11Å; K118-S120 VanDerWaalsContact C-N 3.34Å; S120-K122 PolarHBondContact O-N 3.43Å | ||
| 121 | K | 74.4 | Confident | 81.3 | Confident | 218 Ų | 218 | 104.6 Ų | 104.6 | 95% | 0.948 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -2.9 | 176.7 | -62.9 | -179.9 | -178.7 | 176.2 | 0 | 114.6 | T119 | T119-K121 PolarHBondContact O-N 2.97Š|
| 122 | K | 73.3 | Confident | 82.3 | Confident | 211 Ų | 211 | 100 Ų | 100 | 92% | 0.917 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -0 | -167.4 | -146.5 | 174.3 | -173.7 | 178.4 | 0 | 114.2 | S120 | S120-K122 PolarHBondContact O-N 3.43Š|
| 123 | R | 73.1 | Confident | 82.6 | Confident | 157 Ų | 157 | 105.7 Ų | 105.7 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -141 | 141 | -173.5 | -177.4 | 177.3 | 175.3 | -174.9 | -0.3 | 111.1 | H125 | R123-H125 PolarHBondContact O-N 3.32Š|
| 124 | V | 77.9 | Confident | 82.9 | Confident | 123 Ų | 123 | 103.6 Ų | 103.6 | 75% | 0.745 | 50% | 0.496 | S | S | * | . | trans | -63.9 | 118.9 | 171.8 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | Y126 | V124-Y126 PolarHBondContact O-N 3.18Å; V124-Y126 VanDerWaalsContact O-N 3.12Å | ||
| 125 | H | 79.9 | Confident | 83.1 | Confident | 56 Ų | 56 | 106.7 Ų | 106.7 | 26% | 0.259 | 51% | 0.513 | S | S | . | . | trans | -80.4 | 88.9 | -176.2 | -173.8 | -87.4 | 0 | 0 | 0 | 112.5 | S117 K118 R123 T127 | S117-H125 WeakPolarHBondContact CB-CD2 3.45Å; S117-H125 PolarHBondContact O-CD2 3.17Å; S117-H125 PolarHBondContact OG-CD2 3Å; S117-H125 PolarHBondContact OG-NE2 2.88Å; K118-H125 PolarHBondContact N-CD2 3.33Å; R123-H125 PolarHBondContact O-N 3.32Å; H125-T127 VanDerWaalsContact ND1-CG2 3.29Å; H125-T127 WeakPolarHBondContact ND1-CG2 3.38Å; H125-T127 PolarHBondContact O-N 2.83Å | ||
| 126 | Y | 86.6 | Confident | 83.1 | Confident | 161 Ų | 161 | 102.7 Ų | 102.7 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | trans | -83.1 | 82.6 | 178 | -141.3 | -96 | 0 | 0 | 0 | 112 | V124 K128 F129 T130 | V124-Y126 PolarHBondContact O-N 3.18Å; V124-Y126 VanDerWaalsContact O-N 3.12Å; Y126-K128 VanDerWaalsContact C-N 3.27Å; Y126-K128 PolarHBondContact O-N 3.26Å; Y126-K128 VanDerWaalsContact O-N 3.09Å; Y126-F129 HydrophobicContact CD1-CB 4Å; Y126-F129 PolarHBondContact O-N 2.87Å; Y126-T130 PolarHBondContact O-N 3.14Å; Y126-T130 PolarHBondContact O-OG1 3.28Å | ||
| 127 | T | 85.3 | Confident | 83.1 | Confident | 73 Ų | 73 | 101.3 Ų | 101.3 | 45% | 0.448 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -44.7 | -43.1 | -172.9 | 55.1 | 0 | 0 | 0 | 0 | 114.8 | H125 T130 K131 | H125-T127 VanDerWaalsContact ND1-CG2 3.29Å; H125-T127 WeakPolarHBondContact ND1-CG2 3.38Å; H125-T127 PolarHBondContact O-N 2.83Å; T127-T130 PolarHBondContact O-OG1 3.35Å; T127-K131 VanDerWaalsContact O-CB 3.31Å; T127-K131 WeakPolarHBondContact O-CB 3.43Å; T127-K131 VanDerWaalsContact O-CG 3.27Å; T127-K131 WeakPolarHBondContact O-CG 3.12Å; T127-K131 PolarHBondContact O-N 3.29Å; T127-K131 VanDerWaalsContact O-N 3.12Å |
| 128 | K | 88.4 | Confident | 83.4 | Confident | 171 Ų | 171 | 106.5 Ų | 106.5 | 74% | 0.743 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.3 | -38.1 | -179 | -66.5 | -175.9 | 177.6 | -179.6 | 0 | 112.4 | Y126 G132 | Y126-K128 VanDerWaalsContact C-N 3.27Å; Y126-K128 PolarHBondContact O-N 3.26Å; Y126-K128 VanDerWaalsContact O-N 3.09Å; K128-G132 PolarHBondContact O-N 3.41Å |
| 129 | F | 86.6 | Confident | 83.8 | Confident | 124 Ų | 124 | 103.7 Ų | 103.7 | 54% | 0.544 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -77.5 | -39.6 | -178.7 | -175.6 | -95.3 | 0 | 0 | 0 | 111.5 | Y126 G132 K133 | Y126-F129 HydrophobicContact CD1-CB 4Å; Y126-F129 PolarHBondContact O-N 2.87Å; F129-G132 PolarHBondContact O-N 3.44Å; F129-K133 PolarHBondContact O-N 3.29Å; F129-K133 VanDerWaalsContact O-N 3.11Å |
| 130 | T | 87.1 | Confident | 84.1 | Confident | 3 Ų | 3 | 105.1 Ų | 105.1 | 2% | 0.018 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 177 | 55.5 | 0 | 0 | 0 | 0 | 110.8 | L113 S117 Y126 T127 G132 K133 D134 | L113-T130 HydrophobicContact CD2-CG2 3.73Å; S117-T130 WeakPolarHBondContact OG-CG2 3.33Å; Y126-T130 PolarHBondContact O-N 3.14Å; Y126-T130 PolarHBondContact O-OG1 3.28Å; T127-T130 PolarHBondContact O-OG1 3.35Å; T130-G132 VanDerWaalsContact C-N 3.32Å; T130-G132 PolarHBondContact O-N 3.48Å; T130-K133 PolarHBondContact O-N 3.03Å; T130-D134 WeakPolarHBondContact O-CB 3.4Å; T130-D134 PolarHBondContact O-N 3.35Å; T130-D134 VanDerWaalsContact O-N 3.15Å |
| 131 | K | 86 | Confident | 84.5 | Confident | 102 Ų | 102 | 107.3 Ų | 107.3 | 44% | 0.443 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.2 | -32.7 | 171 | -74.6 | -178 | 174.3 | -169.1 | 0 | 114.9 | E114 T127 | E114-K131 HydrophobicContact CG-CG 4.14Å; E114-K131 WeakPolarHBondContact OE1-CE 3.4Å; E114-K131 IonicContact OE1-NZ 3.67Å; E114-K131 WeakPolarHBondContact OE2-CE 3.43Å; E114-K131 VanDerWaalsContact OE2-CG 3.26Å; E114-K131 WeakPolarHBondContact OE2-CG 3.49Å; T127-K131 VanDerWaalsContact O-CB 3.31Å; T127-K131 WeakPolarHBondContact O-CB 3.43Å; T127-K131 VanDerWaalsContact O-CG 3.27Å; T127-K131 WeakPolarHBondContact O-CG 3.12Å; T127-K131 PolarHBondContact O-N 3.29Å; T127-K131 VanDerWaalsContact O-N 3.12Å |
| 132 | G | 87 | Confident | 85.2 | Confident | 59 Ų | 59 | 100.1 Ų | 100.1 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -71.6 | -31.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | K128 F129 T130 | K128-G132 PolarHBondContact O-N 3.41Å; F129-G132 PolarHBondContact O-N 3.44Å; T130-G132 VanDerWaalsContact C-N 3.32Å; T130-G132 PolarHBondContact O-N 3.48Å |
| 133 | K | 87.7 | Confident | 86 | Confident | 145 Ų | 145 | 91.9 Ų | 91.9 | 63% | 0.63 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -89.1 | -13.1 | 177.7 | -172.4 | 161 | -177.9 | 164.5 | 0 | 113.7 | L113 F129 T130 | L113-K133 HydrophobicContact CD1-CD 4.39Å; L113-K133 HydrophobicContact CD1-CG 4.29Å; F129-K133 PolarHBondContact O-N 3.29Å; F129-K133 VanDerWaalsContact O-N 3.11Å; T130-K133 PolarHBondContact O-N 3.03Å |
| 134 | D | 88.1 | Confident | 86.7 | Confident | 12 Ų | 12 | 85.4 Ų | 85.4 | 6% | 0.064 | 44% | 0.444 | C | S | . | . | trans | -91 | 107.7 | -174.1 | -163.1 | -10.7 | 0 | 0 | 0 | 112.4 | S112 L113 E114 T130 S136 S137 | S112-D134 VanDerWaalsContact CA-OD2 3.24Å; S112-D134 WeakPolarHBondContact CA-OD2 3.25Å; S112-D134 WeakPolarHBondContact CB-OD2 3.49Å; S112-D134 PolarHBondContact OG-OD2 2.57Å; L113-D134 HydrophobicContact CB-CB 4.23Å; L113-D134 PolarHBondContact N-OD2 3.11Å; E114-D134 PolarHBondContact N-OD2 3.05Å; T130-D134 WeakPolarHBondContact O-CB 3.4Å; T130-D134 PolarHBondContact O-N 3.35Å; T130-D134 VanDerWaalsContact O-N 3.15Å; D134-S136 VanDerWaalsContact OD1-CB 3.25Å; D134-S136 WeakPolarHBondContact OD1-CB 3.2Å; D134-S136 PolarHBondContact OD1-N 3.09Å; D134-S136 PolarHBondContact OD1-OG 2.85Å; D134-S136 PolarHBondContact OD2-OG 3.02Å; D134-S137 PolarHBondContact O-OG 3.17Å | ||
| 135 | L | 85.4 | Confident | 87 | Confident | 97 Ų | 97 | 84.6 Ų | 84.6 | 51% | 0.508 | 44% | 0.443 | S | S | . | . | trans | -83.3 | -11.9 | 177.6 | -61.8 | -179.1 | 0 | 0 | 0 | 113.4 | S137 R138 L143 | L135-S137 PolarHBondContact O-N 3.03Å; L135-S137 VanDerWaalsContact O-N 3.11Å; L135-R138 HydrophobicContact CD2-CG 4.25Å; L135-R138 WeakPolarHBondContact O-CB 3.47Å; L135-R138 PolarHBondContact O-N 2.88Å; L135-L143 HydrophobicContact CB-CD2 4.35Å; L135-L143 HydrophobicContact CD1-CD2 4.48Å; L135-L143 HydrophobicContact CD2-CD2 4.33Å | ||
| 136 | S | 86.2 | Confident | 87.4 | Confident | 46 Ų | 46 | 87.6 Ų | 87.6 | 32% | 0.322 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.3 | -178.5 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | S110 D134 | S110-S136 WeakPolarHBondContact OG-CB 3.36Å; D134-S136 VanDerWaalsContact OD1-CB 3.25Å; D134-S136 WeakPolarHBondContact OD1-CB 3.2Å; D134-S136 PolarHBondContact OD1-N 3.09Å; D134-S136 PolarHBondContact OD1-OG 2.85Å; D134-S136 PolarHBondContact OD2-OG 3.02Å |
| 137 | S | 83.7 | Confident | 87.2 | Confident | 85 Ų | 85 | 86 Ų | 86 | 59% | 0.594 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -3.8 | 179.7 | 66.9 | 0 | 0 | 0 | 0 | 114.9 | D134 L135 | D134-S137 PolarHBondContact O-OG 3.17Å; L135-S137 PolarHBondContact O-N 3.03Å; L135-S137 VanDerWaalsContact O-N 3.11Å |
| 138 | R | 89 | Confident | 86.8 | Confident | 117 Ų | 117 | 84 Ų | 84 | 44% | 0.442 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -88.3 | 143 | -177.4 | -57.4 | -66 | 160 | -171.3 | -3.5 | 110.4 | L135 D142 L143 | L135-R138 HydrophobicContact CD2-CG 4.25Å; L135-R138 WeakPolarHBondContact O-CB 3.47Å; L135-R138 PolarHBondContact O-N 2.88Å; R138-D142 WeakPolarHBondContact CD-OD2 3.03Å; R138-L143 HydrophobicContact CB-CD2 3.99Å; R138-L143 HydrophobicContact CB-CG 4.16Å |
| 139 | S | 91.4 | Very high | 86.3 | Confident | 67 Ų | 67 | 81.2 Ų | 81.2 | 47% | 0.469 | 44% | 0.438 | S | S | . | . | trans | -68.7 | 145.4 | 174.5 | 53 | 0 | 0 | 0 | 0 | 110.3 | T141 D142 L143 | S139-T141 PolarHBondContact O-N 3.31Å; S139-T141 VanDerWaalsContact O-N 3.11Å; S139-T141 PolarHBondContact OG-OG1 3.05Å; S139-T141 VanDerWaalsContact OG-OG1 3.09Å; S139-D142 WeakPolarHBondContact O-CB 3.49Å; S139-D142 PolarHBondContact O-N 3.36Å; S139-L143 PolarHBondContact O-N 3.39Å; S139-L143 VanDerWaalsContact O-N 3.17Å | ||
| 140 | E | 88.5 | Confident | 85.6 | Confident | 135 Ų | 135 | 80.5 Ų | 80.5 | 63% | 0.631 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -53.4 | -35.6 | 176.9 | -161.3 | -154.8 | 135.5 | 0 | 0 | 112 | D142 L143 N144 | E140-D142 VanDerWaalsContact C-N 3.33Å; E140-D142 PolarHBondContact O-N 3.49Å; E140-L143 PolarHBondContact O-N 3.45Å; E140-N144 WeakPolarHBondContact O-CB 3.48Å; E140-N144 PolarHBondContact O-N 3.19Å; E140-N144 PolarHBondContact O-ND2 2.8Å; E140-N144 PolarHBondContact OE1-ND2 2.87Å |
| 141 | T | 89.4 | Confident | 84.6 | Confident | 92 Ų | 92 | 85.1 Ų | 85.1 | 56% | 0.564 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.8 | -35.6 | 174.1 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | S139 C145 | S139-T141 PolarHBondContact O-N 3.31Å; S139-T141 VanDerWaalsContact O-N 3.11Å; S139-T141 PolarHBondContact OG-OG1 3.05Å; S139-T141 VanDerWaalsContact OG-OG1 3.09Å; T141-C145 PolarHBondContact O-N 3.4Å; T141-C145 PolarHBondContact O-SG 3.37Å |
| 142 | D | 89.4 | Confident | 83.5 | Confident | 66 Ų | 66 | 87.1 Ų | 87.1 | 35% | 0.353 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -74.5 | -42.1 | 179 | -173.3 | 45.1 | 0 | 0 | 0 | 110 | R138 S139 E140 C145 I146 | R138-D142 WeakPolarHBondContact CD-OD2 3.03Å; S139-D142 WeakPolarHBondContact O-CB 3.49Å; S139-D142 PolarHBondContact O-N 3.36Å; E140-D142 VanDerWaalsContact C-N 3.33Å; E140-D142 PolarHBondContact O-N 3.49Å; D142-C145 WeakPolarHBondContact O-CB 3.5Å; D142-C145 PolarHBondContact O-N 2.75Å; D142-I146 WeakPolarHBondContact O-CG1 3.14Å; D142-I146 PolarHBondContact O-N 3.02Å |
| 143 | L | 89.1 | Confident | 81.8 | Confident | 38 Ų | 38 | 87.7 Ų | 87.7 | 20% | 0.199 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 171.8 | -61.2 | 178.4 | 0 | 0 | 0 | 111.3 | L135 R138 S139 E140 C145 I146 F147 | L135-L143 HydrophobicContact CB-CD2 4.35Å; L135-L143 HydrophobicContact CD1-CD2 4.48Å; L135-L143 HydrophobicContact CD2-CD2 4.33Å; R138-L143 HydrophobicContact CB-CD2 3.99Å; R138-L143 HydrophobicContact CB-CG 4.16Å; S139-L143 PolarHBondContact O-N 3.39Å; S139-L143 VanDerWaalsContact O-N 3.17Å; E140-L143 PolarHBondContact O-N 3.45Å; L143-C145 VanDerWaalsContact C-N 3.32Å; L143-C145 PolarHBondContact O-N 2.7Å; L143-I146 PolarHBondContact O-N 2.94Å; L143-F147 HydrophobicContact CB-CD2 4.17Å; L143-F147 HydrophobicContact CB-CE2 4.02Å; L143-F147 WeakPolarHBondContact O-CD2 3.02Å; L143-F147 WeakPolarHBondContact O-CG 3.35Å; L143-F147 PolarHBondContact O-N 3.05Å |
| 144 | N | 87.7 | Confident | 80.2 | Confident | 21 Ų | 21 | 85.1 Ų | 85.1 | 11% | 0.112 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.1 | -35.3 | 179.2 | -76.2 | -18 | 0 | 0 | 0 | 112.3 | E140 I146 F147 G148 K149 | E140-N144 WeakPolarHBondContact O-CB 3.48Å; E140-N144 PolarHBondContact O-N 3.19Å; E140-N144 PolarHBondContact O-ND2 2.8Å; E140-N144 PolarHBondContact OE1-ND2 2.87Å; N144-I146 VanDerWaalsContact C-N 3.34Å; N144-I146 PolarHBondContact O-N 3.04Å; N144-F147 PolarHBondContact O-N 2.9Å; N144-G148 CarbonylContact O-C 3.56Å; N144-G148 PolarHBondContact O-N 3.17Å; N144-K149 HydrophobicContact CB-CB 4.12Å; N144-K149 WeakPolarHBondContact CB-O 3.26Å; N144-K149 PolarHBondContact O-N 3.38Å |
| 145 | C | 84.8 | Confident | 78.1 | Confident | 106 Ų | 106 | 93.2 Ų | 93.2 | 72% | 0.716 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.6 | -38 | 170.2 | -76.2 | 0 | 0 | 0 | 0 | 113.1 | T141 D142 L143 | T141-C145 PolarHBondContact O-N 3.4Å; T141-C145 PolarHBondContact O-SG 3.37Å; D142-C145 WeakPolarHBondContact O-CB 3.5Å; D142-C145 PolarHBondContact O-N 2.75Å; L143-C145 VanDerWaalsContact C-N 3.32Å; L143-C145 PolarHBondContact O-N 2.7Å |
| 146 | I | 88 | Confident | 76.1 | Confident | 119 Ų | 119 | 94.7 Ų | 94.7 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -74.1 | -41.2 | 177.5 | -63.2 | 165 | 0 | 0 | 0 | 111 | D142 L143 N144 G148 | D142-I146 WeakPolarHBondContact O-CG1 3.14Å; D142-I146 PolarHBondContact O-N 3.02Å; L143-I146 PolarHBondContact O-N 2.94Å; N144-I146 VanDerWaalsContact C-N 3.34Å; N144-I146 PolarHBondContact O-N 3.04Å; I146-G148 VanDerWaalsContact C-N 3.26Å; I146-G148 PolarHBondContact O-N 3.43Å |
| 147 | F | 82.4 | Confident | 74.2 | Confident | 129 Ų | 129 | 99.2 Ų | 99.2 | 57% | 0.566 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 1.7 | -179.6 | -62.8 | -54.8 | 0 | 0 | 0 | 114.2 | L143 N144 K149 | L143-F147 HydrophobicContact CB-CD2 4.17Å; L143-F147 HydrophobicContact CB-CE2 4.02Å; L143-F147 WeakPolarHBondContact O-CD2 3.02Å; L143-F147 WeakPolarHBondContact O-CG 3.35Å; L143-F147 PolarHBondContact O-N 3.05Å; N144-F147 PolarHBondContact O-N 2.9Å; F147-K149 HydrophobicContact CB-CD 4.41Å; F147-K149 HydrophobicContact CB-CG 4.07Å; F147-K149 PolarHBondContact O-N 2.92Å; F147-K149 VanDerWaalsContact O-N 3.17Å |
| 148 | G | 76 | Confident | 72.3 | Confident | 31 Ų | 31 | 103.2 Ų | 103.2 | 32% | 0.32 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 7.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I78 N144 I146 R150 | I78-G148 WeakPolarHBondContact CD1-O 2.96Å; N144-G148 CarbonylContact O-C 3.56Å; N144-G148 PolarHBondContact O-N 3.17Å; I146-G148 VanDerWaalsContact C-N 3.26Å; I146-G148 PolarHBondContact O-N 3.43Å; G148-R150 PolarHBondContact O-N 3.37Å |
| 149 | K | 78.6 | Confident | 70.1 | Confident | 112 Ų | 112 | 106.4 Ų | 106.4 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | trans | -74.9 | 92.7 | -177.6 | -67.7 | -170.6 | 175.3 | -168 | 0 | 110.1 | N144 F147 T151 | N144-K149 HydrophobicContact CB-CB 4.12Å; N144-K149 WeakPolarHBondContact CB-O 3.26Å; N144-K149 PolarHBondContact O-N 3.38Å; F147-K149 HydrophobicContact CB-CD 4.41Å; F147-K149 HydrophobicContact CB-CG 4.07Å; F147-K149 PolarHBondContact O-N 2.92Å; F147-K149 VanDerWaalsContact O-N 3.17Å; K149-T151 PolarHBondContact O-N 3.09Å | ||
| 150 | R | 72.6 | Confident | 67.5 | Low | 108 Ų | 108 | 106.7 Ų | 106.7 | 41% | 0.408 | 57% | 0.571 | S | S | . | * | trans | -67.8 | 114.9 | 170.5 | -73.9 | -174.3 | -69.8 | -110.7 | -25.1 | 109.2 | E74 D75 G148 K152 | E74-R150 VanDerWaalsContact CB-NH1 3.34Å; E74-R150 PolarHBondContact O-NH2 2.69Å; E74-R150 IonicContact OE2-CZ 3.95Å; E74-R150 IonicContact OE2-NH1 2.86Å; E74-R150 PolarHBondContact OE2-NH1 3.25Å; D75-R150 IonicContact OD1-CZ 2.92Å; D75-R150 IonicContact OD1-NE 2.84Å; D75-R150 PolarHBondContact OD1-NE 3.49Å; D75-R150 IonicContact OD1-NH2 3.81Å; D75-R150 PolarHBondContact OD1-NH2 3.26Å; G148-R150 PolarHBondContact O-N 3.37Å; R150-K152 PolarHBondContact O-N 3.42Å | ||
| 151 | T | 66.5 | Low | 65.2 | Low | 100 Ų | 100 | 111.2 Ų | 111.2 | 61% | 0.613 | 58% | 0.582 | S | S | * | * | trans | -62.7 | 102.2 | 168.3 | 53.9 | 0 | 0 | 0 | 0 | 108.3 | K149 S153 | K149-T151 PolarHBondContact O-N 3.09Å; T151-S153 PolarHBondContact O-N 3.16Å | ||
| 152 | K | 61.8 | Low | 62.7 | Low | 145 Ų | 145 | 112 Ų | 112 | 63% | 0.63 | 59% | 0.591 | S | S | * | * | trans | -56.1 | 108.6 | 175.6 | -70 | 176.4 | 179.3 | 171.8 | 0 | 108 | D75 R150 A154 | D75-K152 WeakPolarHBondContact OD2-CE 2.93Å; D75-K152 IonicContact OD2-NZ 2.73Å; R150-K152 PolarHBondContact O-N 3.42Å; K152-A154 PolarHBondContact O-N 3.36Å | ||
| 153 | S | 51.3 | Low | 60.6 | Low | 70 Ų | 70 | 120.2 Ų | 120.2 | 49% | 0.49 | 62% | 0.617 | S | S | . | * | trans | -61.4 | 135.2 | 176.1 | 86 | 0 | 0 | 0 | 0 | 107.4 | T151 K155 D156 | T151-S153 PolarHBondContact O-N 3.16Å; S153-K155 PolarHBondContact O-N 3.13Å; S153-D156 PolarHBondContact O-N 2.96Å | ||
| 154 | A | 53.7 | Low | 58.2 | Low | 91 Ų | 91 | 123.3 Ų | 123.3 | 75% | 0.752 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -0.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K152 | K152-A154 PolarHBondContact O-N 3.36Š|
| 155 | K | 43.6 | Very low | 55.6 | Low | 182 Ų | 182 | 130.8 Ų | 130.8 | 79% | 0.791 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -20.6 | 179.8 | -132.5 | 169.8 | -174 | 172.8 | 0 | 114.6 | S153 | S153-K155 PolarHBondContact O-N 3.13Š|
| 156 | D | 45.1 | Very low | 52.9 | Low | 128 Ų | 128 | 131 Ų | 131 | 68% | 0.684 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -99 | -6 | -174.4 | -62.7 | -50.5 | 0 | 0 | 0 | 114 | S153 | S153-D156 PolarHBondContact O-N 2.96Š|
| 157 | Q | 44.9 | Very low | 50.7 | Low | 141 Ų | 141 | 130.7 Ų | 130.7 | 66% | 0.659 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -79.9 | -20.1 | -179.9 | -74.8 | -155.7 | -1.3 | 0 | 0 | 114.9 | Q159 | Q157-Q159 VanDerWaalsContact C-N 3.34Å; Q157-Q159 PolarHBondContact O-N 3.29Å |
| 158 | E | 43.8 | Very low | 48.2 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -16.6 | -173.5 | -67.8 | -171 | 156.6 | 0 | 0 | 114.5 | ||
| 159 | Q | 43.2 | Very low | 46.1 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -9 | -178.9 | -73.2 | -175.9 | -6.7 | 0 | 0 | 114.8 | Q157 | Q157-Q159 VanDerWaalsContact C-N 3.34Å; Q157-Q159 PolarHBondContact O-N 3.29Å |
| 160 | G | 38 | Very low | 44 | Very low | 73 Ų | 73 | 138.1 Ų | 138.1 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -91.7 | -11.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 161 | R | 40 | Very low | 42.1 | Very low | 230 Ų | 230 | 142 Ų | 142 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -111.5 | 4.7 | -161.4 | -151.2 | 171.1 | 177.9 | -167.4 | -2.1 | 115.5 | ||
| 162 | S | 36.4 | Very low | 40.6 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -100.7 | 22.9 | -177.3 | 58.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 163 | R | 45.9 | Very low | 39.1 | Very low | 238 Ų | 238 | 144 Ų | 144 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -141.3 | 61.4 | 179 | -160.8 | -178.6 | -179.2 | 166.4 | 1.3 | 114 | ||
| 164 | S | 38.2 | Very low | 38.1 | Very low | 104 Ų | 104 | 144.6 Ų | 144.6 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -159.9 | 162.9 | 149.6 | -89.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 165 | E | 32.1 | Very low | 37 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | 70.5 | 97.5 | 177.3 | -48.6 | -46.8 | 114.9 | 0 | 0 | 117.6 | ||||
| 166 | S | 29.8 | Very low | 36.6 | Very low | 110 Ų | 110 | 147 Ų | 147 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -142.9 | 122.7 | 143 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 167 | P | 41.4 | Very low | 35.9 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | trans | -88.1 | 142 | 179 | 34.3 | -33.2 | 0 | 0 | 0 | 112 | ||||
| 168 | V | 29.8 | Very low | 35.4 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | -148 | 124.8 | 163 | -177.9 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 169 | E | 31.5 | Very low | 35.3 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | cis | 97 | 58.4 | 24.6 | 66.2 | -165.6 | 121.7 | 0 | 0 | 108.2 | ||||
| 170 | S | 34 | Very low | 35.3 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -75.4 | 127.4 | 175.8 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 171 | E | 34.2 | Very low | 35.2 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -137.6 | 160.8 | 161.1 | -90.3 | -63.9 | 167.1 | 0 | 0 | 109.8 | ||||
| 172 | E | 33.2 | Very low | 35.1 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -94.4 | 161.9 | -146.5 | -154 | -172.6 | 129.8 | 0 | 0 | 117.4 | ||||
| 173 | S | 30.8 | Very low | 35.5 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | 92.4 | 132.9 | 148.9 | 81.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 174 | G | 30.6 | Very low | 35.8 | Very low | 83 Ų | 83 | 137.5 Ų | 137.5 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | 153.1 | 83.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 175 | T | 29.9 | Very low | 36.4 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | -60.1 | 144 | -176.1 | 36 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 176 | K | 36.4 | Very low | 37.4 | Very low | 200 Ų | 200 | 136 Ų | 136 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | 70.1 | 144.2 | 143.8 | -69.3 | 171.2 | -177 | 179.6 | 0 | 118.5 | ||||
| 177 | A | 29.6 | Very low | 38.4 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | cis | -166.1 | 162.2 | -8.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 178 | S | 34.7 | Very low | 39 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | 70 | 100.9 | 148.3 | -169 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 179 | S | 42.3 | Very low | 40.2 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | -170.8 | 123 | 115.7 | 60 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 180 | E | 42.4 | Very low | 41.6 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -57.5 | 141 | 173.7 | -58.5 | 161.8 | 134.9 | 0 | 0 | 113.7 | ||||
| 181 | L | 36.9 | Very low | 43.2 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | 172.2 | 142.3 | 102.4 | -85.9 | 177.4 | 0 | 0 | 0 | 112.7 | |||||
| 182 | D | 38.1 | Very low | 45.2 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | trans | 51.4 | 82.9 | 161.1 | -69.3 | -14.6 | 0 | 0 | 0 | 121.4 | ||||
| 183 | T | 43.3 | Very low | 47.2 | Very low | 123 Ų | 123 | 129 Ų | 129 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -112.1 | 4.2 | 152.9 | 54.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 184 | E | 52.5 | Low | 49.3 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -7.1 | -172.9 | -61.4 | -165.5 | 167.4 | 0 | 0 | 115 | ||
| 185 | S | 50.6 | Low | 52 | Low | 97 Ų | 97 | 125.9 Ų | 125.9 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -20.5 | -176.4 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 186 | I | 54.2 | Low | 54.5 | Low | 152 Ų | 152 | 126.4 Ų | 126.4 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -26.6 | -170.6 | -65.8 | 177.3 | 0 | 0 | 0 | 113.4 | ||
| 187 | T | 51 | Low | 57 | Low | 97 Ų | 97 | 123.4 Ų | 123.4 | 60% | 0.595 | 71% | 0.712 | S | S | * | * | trans | -135.6 | 81.9 | -180 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | T189 | T187-T189 PolarHBondContact O-N 2.98Š| ||
| 188 | K | 53.7 | Low | 59.9 | Low | 189 Ų | 189 | 124.1 Ų | 124.1 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | trans | -75.3 | 66.2 | 164.1 | -72.2 | -173.6 | 176.7 | -179.7 | 0 | 111.1 | V190 | K188-V190 PolarHBondContact O-N 3.38Š| ||
| 189 | T | 55.3 | Low | 62.5 | Low | 108 Ų | 108 | 123.3 Ų | 123.3 | 66% | 0.663 | 68% | 0.679 | S | S | * | * | trans | -86.3 | 99.4 | 176.3 | -52.5 | 0 | 0 | 0 | 0 | 109.4 | T187 T191 | T187-T189 PolarHBondContact O-N 2.98Å; T189-T191 PolarHBondContact O-N 2.88Å | ||
| 190 | V | 60.4 | Low | 64.9 | Low | 135 Ų | 135 | 123.8 Ų | 123.8 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | -82 | 106.9 | 174 | 179.7 | 0 | 0 | 0 | 0 | 109 | K188 S192 | K188-V190 PolarHBondContact O-N 3.38Å; V190-S192 PolarHBondContact O-N 2.96Å | ||
| 191 | T | 66.6 | Low | 67.2 | Low | 131 Ų | 131 | 118.2 Ų | 118.2 | 80% | 0.804 | 65% | 0.651 | S | S | * | * | trans | -81.3 | 91.6 | 175.1 | 43.6 | 0 | 0 | 0 | 0 | 110.7 | T189 | T189-T191 PolarHBondContact O-N 2.88Š| ||
| 192 | S | 76.1 | Confident | 69.8 | Low | 78 Ų | 78 | 115.7 Ų | 115.7 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | trans | -72.7 | 134.2 | 169.5 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | V190 L194 | V190-S192 PolarHBondContact O-N 2.96Å; S192-L194 PolarHBondContact O-N 3.33Å | ||
| 193 | S | 76.1 | Confident | 72.2 | Confident | 126 Ų | 126 | 115.5 Ų | 115.5 | 88% | 0.881 | 63% | 0.625 | S | S | * | * | trans | -73.7 | 0.9 | 175.6 | 51.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 194 | L | 75.9 | Confident | 74.2 | Confident | 69 Ų | 69 | 114.9 Ų | 114.9 | 36% | 0.361 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -82 | 139.5 | -178.9 | -61.1 | 175.1 | 0 | 0 | 0 | 111.1 | S192 E198 | S192-L194 PolarHBondContact O-N 3.33Å; L194-E198 HydrophobicContact CD2-CG 4.37Å |
| 195 | S | 86.3 | Confident | 75.8 | Confident | 66 Ų | 66 | 109.8 Ų | 109.8 | 46% | 0.462 | 60% | 0.6 | S | S | . | * | trans | -66.3 | 150.5 | 174.2 | -172.5 | 0 | 0 | 0 | 0 | 111.2 | Q197 E198 Y199 | S195-Q197 PolarHBondContact O-N 3.49Å; S195-Q197 PolarHBondContact OG-OE1 3.29Å; S195-E198 WeakPolarHBondContact O-CA 3.4Å; S195-E198 WeakPolarHBondContact O-CB 3.42Å; S195-E198 PolarHBondContact O-N 2.81Å; S195-Y199 PolarHBondContact O-N 3.46Å | ||
| 196 | M | 83.3 | Confident | 77.4 | Confident | 135 Ų | 135 | 109.7 Ų | 109.7 | 67% | 0.665 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -54.9 | -41.2 | -177.4 | -68.7 | -160.5 | -54.1 | 0 | 0 | 112.4 | E198 Y199 F200 | M196-E198 VanDerWaalsContact C-N 3.28Å; M196-E198 PolarHBondContact O-N 2.66Å; M196-Y199 PolarHBondContact O-N 2.82Å; M196-F200 WeakPolarHBondContact O-CD2 3.31Å; M196-F200 PolarHBondContact O-N 3.34Å |
| 197 | Q | 87.3 | Confident | 78.7 | Confident | 136 Ų | 136 | 108.9 Ų | 108.9 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.4 | -37.9 | 178.9 | -68.5 | 81 | -9.9 | 0 | 0 | 111.5 | S195 A201 | S195-Q197 PolarHBondContact O-N 3.49Å; S195-Q197 PolarHBondContact OG-OE1 3.29Å; Q197-A201 WeakPolarHBondContact O-CB 3.24Å; Q197-A201 PolarHBondContact O-N 3.23Å |
| 198 | E | 91.4 | Very high | 79.9 | Confident | 108 Ų | 108 | 112.4 Ų | 112.4 | 51% | 0.505 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -73 | -39.4 | 178.8 | -168.8 | 168.8 | -157.1 | 0 | 0 | 111.5 | L194 S195 M196 A201 Q202 | L194-E198 HydrophobicContact CD2-CG 4.37Å; S195-E198 WeakPolarHBondContact O-CA 3.4Å; S195-E198 WeakPolarHBondContact O-CB 3.42Å; S195-E198 PolarHBondContact O-N 2.81Å; M196-E198 VanDerWaalsContact C-N 3.28Å; M196-E198 PolarHBondContact O-N 2.66Å; E198-A201 PolarHBondContact O-N 3.42Å; E198-Q202 WeakPolarHBondContact O-CB 3.45Å; E198-Q202 PolarHBondContact O-N 3.1Å |
| 199 | Y | 89.1 | Confident | 81.2 | Confident | 101 Ų | 101 | 111.1 Ų | 111.1 | 40% | 0.396 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.6 | -48.4 | 170.4 | 173.6 | -100.6 | 0 | 0 | 0 | 112 | S195 M196 Q202 R203 | S195-Y199 PolarHBondContact O-N 3.46Å; M196-Y199 PolarHBondContact O-N 2.82Å; Y199-Q202 PolarHBondContact O-N 3.26Å; Y199-R203 VanDerWaalsContact O-CB 3.31Å; Y199-R203 WeakPolarHBondContact O-CB 3.27Å; Y199-R203 PolarHBondContact O-N 3Å |
| 200 | F | 92.1 | Very high | 81.8 | Confident | 126 Ų | 126 | 111.8 Ų | 111.8 | 55% | 0.553 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.8 | -39.3 | 177.5 | -74.1 | -64.4 | 0 | 0 | 0 | 112.5 | M196 R203 M204 | M196-F200 WeakPolarHBondContact O-CD2 3.31Å; M196-F200 PolarHBondContact O-N 3.34Å; F200-R203 PolarHBondContact O-N 2.88Å; F200-M204 WeakPolarHBondContact O-CB 3.29Å; F200-M204 VanDerWaalsContact O-CG 3.22Å; F200-M204 WeakPolarHBondContact O-CG 3.39Å; F200-M204 PolarHBondContact O-N 3.3Å |
| 201 | A | 90.9 | Very high | 81.6 | Confident | 62 Ų | 62 | 117.2 Ų | 117.2 | 51% | 0.512 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.6 | -47.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q197 E198 R203 M204 A205 | Q197-A201 WeakPolarHBondContact O-CB 3.24Å; Q197-A201 PolarHBondContact O-N 3.23Å; E198-A201 PolarHBondContact O-N 3.42Å; A201-R203 PolarHBondContact O-N 3.31Å; A201-M204 PolarHBondContact O-N 3.12Å; A201-A205 WeakPolarHBondContact O-CB 3.33Å; A201-A205 PolarHBondContact O-N 3.21Å |
| 202 | Q | 90.9 | Very high | 80.7 | Confident | 98 Ų | 98 | 114.7 Ų | 114.7 | 46% | 0.458 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.8 | -41 | 177 | -167.8 | -176.2 | 56.5 | 0 | 0 | 111.7 | E198 Y199 A205 Q206 | E198-Q202 WeakPolarHBondContact O-CB 3.45Å; E198-Q202 PolarHBondContact O-N 3.1Å; Y199-Q202 PolarHBondContact O-N 3.26Å; Q202-A205 PolarHBondContact O-N 3.41Å; Q202-Q206 WeakPolarHBondContact O-CG 3.28Å; Q202-Q206 PolarHBondContact O-N 3.15Å |
| 203 | R | 88.8 | Confident | 79.1 | Confident | 127 Ų | 127 | 116.1 Ų | 116.1 | 48% | 0.479 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.7 | -42.1 | 177.9 | -159 | 68 | 167.6 | 173.2 | -7 | 112.2 | Y199 F200 A201 Q206 L207 | Y199-R203 VanDerWaalsContact O-CB 3.31Å; Y199-R203 WeakPolarHBondContact O-CB 3.27Å; Y199-R203 PolarHBondContact O-N 3Å; F200-R203 PolarHBondContact O-N 2.88Å; A201-R203 PolarHBondContact O-N 3.31Å; R203-Q206 PolarHBondContact O-N 3.32Å; R203-L207 WeakPolarHBondContact O-CG 3.31Å; R203-L207 PolarHBondContact O-N 3.26Å |
| 204 | M | 85.7 | Confident | 77.3 | Confident | 110 Ų | 110 | 119.8 Ų | 119.8 | 54% | 0.542 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.3 | -34.9 | 175.8 | -70.2 | -67.7 | -81.2 | 0 | 0 | 112.1 | F200 A201 L207 K208 | F200-M204 WeakPolarHBondContact O-CB 3.29Å; F200-M204 VanDerWaalsContact O-CG 3.22Å; F200-M204 WeakPolarHBondContact O-CG 3.39Å; F200-M204 PolarHBondContact O-N 3.3Å; A201-M204 PolarHBondContact O-N 3.12Å; M204-L207 PolarHBondContact O-N 3.39Å; M204-L207 HydrophobicContact SD-CD1 4.43Å; M204-K208 WeakPolarHBondContact O-CG 3.42Å; M204-K208 PolarHBondContact O-N 3.04Å; M204-K208 VanDerWaalsContact O-N 3.14Å |
| 205 | A | 87 | Confident | 75.7 | Confident | 55 Ų | 55 | 120.1 Ų | 120.1 | 46% | 0.455 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.5 | -39.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A201 Q202 K208 K209 | A201-A205 WeakPolarHBondContact O-CB 3.33Å; A201-A205 PolarHBondContact O-N 3.21Å; Q202-A205 PolarHBondContact O-N 3.41Å; A205-K208 PolarHBondContact O-N 3.11Å; A205-K209 PolarHBondContact O-N 3.24Å |
| 206 | Q | 84.4 | Confident | 73.2 | Confident | 95 Ų | 95 | 122.8 Ų | 122.8 | 44% | 0.444 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -62.1 | -42.3 | 173.4 | -74.6 | 170.8 | 9 | 0 | 0 | 112 | Q202 R203 K208 K209 | Q202-Q206 WeakPolarHBondContact O-CG 3.28Å; Q202-Q206 PolarHBondContact O-N 3.15Å; R203-Q206 PolarHBondContact O-N 3.32Å; Q206-K208 VanDerWaalsContact C-N 3.27Å; Q206-K208 PolarHBondContact O-N 3.05Å; Q206-K209 PolarHBondContact O-N 3.09Å |
| 207 | L | 79.7 | Confident | 70.9 | Confident | 134 Ų | 134 | 120.6 Ų | 120.6 | 70% | 0.702 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.1 | -24 | 177.1 | -74.5 | 163.8 | 0 | 0 | 0 | 113.6 | R203 M204 | R203-L207 WeakPolarHBondContact O-CG 3.31Å; R203-L207 PolarHBondContact O-N 3.26Å; M204-L207 PolarHBondContact O-N 3.39Å; M204-L207 HydrophobicContact SD-CD1 4.43Å |
| 208 | K | 77.9 | Confident | 68.3 | Low | 171 Ų | 171 | 119.8 Ų | 119.8 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -88.9 | -7 | 176.8 | -75.1 | -178.6 | 174.9 | -172.7 | 0 | 114.4 | M204 A205 Q206 | M204-K208 WeakPolarHBondContact O-CG 3.42Å; M204-K208 PolarHBondContact O-N 3.04Å; M204-K208 VanDerWaalsContact O-N 3.14Å; A205-K208 PolarHBondContact O-N 3.11Å; Q206-K208 VanDerWaalsContact C-N 3.27Å; Q206-K208 PolarHBondContact O-N 3.05Å |
| 209 | K | 79.5 | Confident | 65.6 | Low | 162 Ų | 162 | 119.8 Ų | 119.8 | 70% | 0.704 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -76.1 | 125.9 | 172 | -76.9 | -174.1 | 176 | -172.9 | 0 | 109.9 | A205 Q206 R211 | A205-K209 PolarHBondContact O-N 3.24Å; Q206-K209 PolarHBondContact O-N 3.09Å; K209-R211 PolarHBondContact O-N 3.12Å |
| 210 | P | 68.7 | Low | 63 | Low | 122 Ų | 122 | 120.7 Ų | 120.7 | 79% | 0.792 | 69% | 0.692 | S | S | * | * | trans | -62 | 135.5 | 170.3 | 27.3 | -33.2 | 0 | 0 | 0 | 109.2 | G212 | P210-G212 VanDerWaalsContact C-N 3.31Å; P210-G212 PolarHBondContact O-N 3.04Å | ||
| 211 | R | 55.5 | Low | 60.3 | Low | 249 Ų | 249 | 124.3 Ų | 124.3 | 94% | 0.94 | 71% | 0.707 | S | S | * | * | trans | -82.1 | 73.8 | -168.7 | -157.9 | 177.1 | -165 | 140 | -1.4 | 111 | K209 | K209-R211 PolarHBondContact O-N 3.12Š| ||
| 212 | G | 48.7 | Very low | 57.6 | Low | 78 Ų | 78 | 124.7 Ų | 124.7 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | -65.3 | 138.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P210 | P210-G212 VanDerWaalsContact C-N 3.31Å; P210-G212 PolarHBondContact O-N 3.04Å | ||
| 213 | S | 42.3 | Very low | 54.8 | Low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | -127.5 | 122.7 | -173.6 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 214 | E | 38.7 | Very low | 52.1 | Low | 202 Ų | 202 | 128.1 Ų | 128.1 | 94% | 0.944 | 74% | 0.74 | S | S | * | * | trans | -153.9 | 145.2 | 149.9 | -68.8 | -158.2 | 167.5 | 0 | 0 | 106.7 | ||||
| 215 | G | 41 | Very low | 49.4 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | cis | -160.3 | -179.8 | -11.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 216 | S | 33.7 | Very low | 46.8 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | cis | -172.9 | 151.3 | 12.7 | 174.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 217 | A | 35.6 | Very low | 44 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | cis | -173.3 | 150.3 | -23.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 218 | S | 32.4 | Very low | 41.6 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -160 | 107.2 | 148.8 | -161.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 219 | S | 35.5 | Very low | 39.3 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | 80.3 | 127.3 | 140.7 | -132.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 220 | V | 33.5 | Very low | 37.5 | Very low | 119 Ų | 119 | 127 Ų | 127 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | 90.4 | 96.1 | 151.9 | -161.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 221 | K | 35.6 | Very low | 35.6 | Very low | 202 Ų | 202 | 126.4 Ų | 126.4 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | trans | 50.1 | 143.1 | 136.4 | -72.6 | -172.5 | 171.6 | -173 | 0 | 121.2 | ||||
| 222 | A | 33.8 | Very low | 34.6 | Very low | 71 Ų | 71 | 122.8 Ų | 122.8 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | cis | -161.6 | 160.1 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 223 | E | 33.6 | Very low | 33.8 | Very low | 178 Ų | 178 | 127.5 Ų | 127.5 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 36.7 | 139.3 | 143.5 | -60.9 | 174.2 | 134.6 | 0 | 0 | 119.9 | ||||
| 224 | T | 32 | Very low | 33.3 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | cis | -174.8 | 160.9 | -1.1 | 24.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 225 | T | 28 | Very low | 32.8 | Very low | 114 Ų | 114 | 125 Ų | 125 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | cis | -159.4 | 159 | 4.7 | 7.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 226 | E | 31.9 | Very low | 32.7 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | 16.8 | 147.5 | 124.4 | -51.9 | -69.9 | 133.8 | 0 | 0 | 119.9 | |||||
| 227 | T | 26.3 | Very low | 32.8 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 64% | 0.644 | 75% | 0.749 | S | S | * | * | cis | -177.5 | 130.9 | -10.2 | -98.6 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 228 | S | 30 | Very low | 32.4 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | 171 | 155.5 | 96.6 | 36.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 229 | S | 29.4 | Very low | 32.6 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -84.6 | -169.4 | 168.1 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 230 | P | 41.4 | Very low | 32.3 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | cis | -150.1 | -170.9 | 13.4 | 43.1 | -20.5 | 0 | 0 | 0 | 118.7 | ||||
| 231 | T | 28.5 | Very low | 32.2 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | trans | 85.7 | 120.2 | 144.5 | -59.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 232 | E | 35.6 | Very low | 31.8 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | 34.2 | 158.9 | 137.8 | -56 | -179.9 | 148.9 | 0 | 0 | 121.7 | ||||
| 233 | E | 31 | Very low | 31.6 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | cis | -150 | -161.7 | 2.6 | -141.7 | -165.2 | 158 | 0 | 0 | 111 | ||||
| 234 | L | 32.4 | Very low | 31.5 | Very low | 146 Ų | 146 | 131 Ų | 131 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | trans | -95.1 | 146.4 | -172.8 | -68.5 | 162.6 | 0 | 0 | 0 | 115 | ||||
| 235 | S | 27.4 | Very low | 31.7 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | 72.9 | -177.3 | 150.9 | 75.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 236 | P | 40.3 | Very low | 32 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | -131.8 | 159.6 | -71.3 | 37.1 | -20.5 | 0 | 0 | 0 | 115.8 | |||||
| 237 | V | 34.5 | Very low | 32.3 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | trans | 46.8 | 112.6 | 152.9 | -176.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 238 | R | 28.3 | Very low | 32.6 | Very low | 239 Ų | 239 | 140.1 Ų | 140.1 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -178 | 132.2 | 137.9 | -101.3 | 165.1 | 179.2 | -167.6 | 0.1 | 108 | ||||
| 239 | S | 35.1 | Very low | 32.5 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | cis | 80.4 | 81.1 | 39.6 | -57.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 240 | S | 30.2 | Very low | 32.5 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -170.4 | 123.8 | 147.6 | 45 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 241 | N | 30.1 | Very low | 32 | Very low | 142 Ų | 142 | 149 Ų | 149 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | 53.7 | 129.4 | 84.3 | -63.1 | -36.7 | 0 | 0 | 0 | 112.7 | |||||
| 242 | N | 28.9 | Very low | 32 | Very low | 141 Ų | 141 | 150.2 Ų | 150.2 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | cis | -162.4 | 155.5 | -9.4 | -98 | -56.9 | 0 | 0 | 0 | 105.7 | ||||
| 243 | D | 27.8 | Very low | 31.7 | Very low | 161 Ų | 161 | 151.5 Ų | 151.5 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -164.1 | 170.6 | 131.1 | -133.4 | -76.1 | 0 | 0 | 0 | 113.1 | ||||
| 244 | A | 32.8 | Very low | 31.6 | Very low | 79 Ų | 79 | 151.2 Ų | 151.2 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | trans | -71.8 | 166.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 245 | E | 35.3 | Very low | 31.5 | Very low | 191 Ų | 191 | 150.6 Ų | 150.6 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | cis | -144.7 | 163.6 | 44.6 | -63.5 | -171.7 | 128.1 | 0 | 0 | 115.4 | ||||
| 246 | K | 35.4 | Very low | 31.5 | Very low | 196 Ų | 196 | 154.1 Ų | 154.1 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | -99.6 | 151.1 | 166.5 | -79.7 | 176.3 | -179.3 | 168.6 | 0 | 107.6 | ||||
| 247 | P | 37.5 | Very low | 31.1 | Very low | 101 Ų | 101 | 157 Ų | 157 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | -162.9 | 158.1 | 71.6 | 40.8 | -19.1 | 0 | 0 | 0 | 120.7 | |||||
| 248 | K | 32.1 | Very low | 30.8 | Very low | 203 Ų | 203 | 160.5 Ų | 160.5 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | 56.1 | 153.2 | 138.9 | -63.7 | 163.5 | -166.1 | 169 | 0 | 119.6 | ||||
| 249 | K | 27.8 | Very low | 30.8 | Very low | 184 Ų | 184 | 155.8 Ų | 155.8 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | cis | 170.5 | 151.5 | -22.1 | -150.6 | -179.8 | -172.1 | -178.5 | 0 | 105.3 | ||||
| 250 | N | 30 | Very low | 30.5 | Very low | 143 Ų | 143 | 157 Ų | 157 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | 100.9 | 115.3 | 167 | -50.1 | -18.6 | 0 | 0 | 0 | 114.4 | ||||
| 251 | K | 30.3 | Very low | 30.4 | Very low | 182 Ų | 182 | 159 Ų | 159 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | cis | 86.6 | 103.2 | 38 | -75.1 | -163.1 | 168.8 | -177.7 | 0 | 117 | ||||
| 252 | N | 28.1 | Very low | 30.3 | Very low | 135 Ų | 135 | 159.2 Ų | 159.2 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | 81.9 | 118.3 | 127.5 | -58.7 | 3 | 0 | 0 | 0 | 121.9 | |||||
| 253 | K | 29.6 | Very low | 30.3 | Very low | 201 Ų | 201 | 161.1 Ų | 161.1 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | 155.4 | 161.6 | 118 | -88.3 | 179.1 | 174.7 | 178.5 | 0 | 111.2 | |||||
| 254 | K | 29.4 | Very low | 30.4 | Very low | 169 Ų | 169 | 161.3 Ų | 161.3 | 74% | 0.735 | 80% | 0.795 | S | S | * | * | cis | -177.3 | 130.4 | -34.4 | -178.6 | 178.7 | -167.6 | -146.7 | 0 | 109.5 | ||||
| 255 | L | 30.8 | Very low | 30.1 | Very low | 134 Ų | 134 | 167.6 Ų | 167.6 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | trans | 58.4 | 127.7 | 157.7 | -71.2 | 172.3 | 0 | 0 | 0 | 122.8 | ||||
| 256 | K | 28.1 | Very low | 29.6 | Very low | 187 Ų | 187 | 163.7 Ų | 163.7 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | -169.7 | 124.4 | 106.8 | -96.6 | -176.6 | 172.1 | -169 | 0 | 108 | |||||
| 257 | E | 31.3 | Very low | 29.1 | Very low | 168 Ų | 168 | 160.4 Ų | 160.4 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | 57.2 | 103 | 87.9 | -79.8 | -178.6 | 166.8 | 0 | 0 | 115.1 | |||||
| 258 | E | 27.6 | Very low | 29 | Very low | 204 Ų | 204 | 161.2 Ų | 161.2 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | -161.4 | 174.8 | 116.5 | -137.5 | 175.7 | 174.8 | 0 | 0 | 111.7 | |||||
| 259 | L | 29.5 | Very low | 29.1 | Very low | 140 Ų | 140 | 157 Ų | 157 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -131.8 | 128.2 | -159.2 | 167.2 | 169.7 | 0 | 0 | 0 | 109.6 | ||||
| 260 | V | 28.3 | Very low | 29.4 | Very low | 132 Ų | 132 | 155.1 Ų | 155.1 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -152.8 | 121.5 | 158.3 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 261 | D | 27.2 | Very low | 29.4 | Very low | 147 Ų | 147 | 154.2 Ų | 154.2 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 143.5 | 162.9 | -79.5 | -70.7 | 0 | 0 | 0 | 111.3 | ||||
| 262 | V | 28.5 | Very low | 29.5 | Very low | 146 Ų | 146 | 152 Ų | 152 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -116.3 | 96.9 | 170.2 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 263 | E | 29.8 | Very low | 29.5 | Very low | 181 Ų | 181 | 154.9 Ų | 154.9 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -117.2 | 162.1 | 166.5 | -155.7 | 169.6 | -130 | 0 | 0 | 109.6 | ||||
| 264 | E | 29.7 | Very low | 29.5 | Very low | 165 Ų | 165 | 153 Ų | 153 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | -31.6 | 149.1 | -166.2 | -60.1 | -177.7 | 116.5 | 0 | 0 | 120.5 | ||||
| 265 | K | 26.4 | Very low | 29.5 | Very low | 210 Ų | 210 | 155.2 Ų | 155.2 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -154.9 | 123.8 | 134 | -110.5 | 152.9 | -168.2 | 171.4 | 0 | 113.3 | ||||
| 266 | C | 24.2 | Very low | 29.4 | Very low | 110 Ų | 110 | 157 Ų | 157 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | trans | -75.8 | 161.2 | 165.6 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 267 | S | 25.4 | Very low | 29.3 | Very low | 126 Ų | 126 | 155 Ų | 155 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | trans | -123.4 | 138.2 | 165.1 | -66.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 268 | V | 35.5 | Very low | 29.2 | Very low | 118 Ų | 118 | 155 Ų | 155 | 72% | 0.715 | 81% | 0.807 | S | S | * | * | trans | -127.8 | 161 | -177.2 | -159.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 269 | P | 34.5 | Very low | 29.3 | Very low | 116 Ų | 116 | 154.3 Ų | 154.3 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -127 | 121.9 | 135.4 | 32.3 | -21.6 | 0 | 0 | 0 | 111.1 | ||||
| 270 | I | 34 | Very low | 29.3 | Very low | 144 Ų | 144 | 157.1 Ų | 157.1 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | 69.8 | 113 | 73.5 | -63.4 | 162.8 | 0 | 0 | 0 | 109.6 | |||||
| 271 | V | 28.7 | Very low | 29.2 | Very low | 123 Ų | 123 | 155.5 Ų | 155.5 | 75% | 0.745 | 81% | 0.81 | S | S | * | * | -158 | 123.4 | 74.7 | 165.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 272 | L | 32.2 | Very low | 29.1 | Very low | 135 Ų | 135 | 154.1 Ų | 154.1 | 71% | 0.707 | 81% | 0.811 | S | S | * | * | trans | 36.3 | 129.9 | 131.8 | -59.8 | 159.7 | 0 | 0 | 0 | 123.8 | ||||
| 273 | E | 28.2 | Very low | 29 | Very low | 197 Ų | 197 | 151.4 Ų | 151.4 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | -155.7 | 145.6 | 95.3 | -113.4 | -170.3 | -167.9 | 0 | 0 | 111.5 | |||||
| 274 | E | 30.4 | Very low | 29 | Very low | 162 Ų | 162 | 151.1 Ų | 151.1 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | -113.4 | 150 | -175.9 | -59.3 | 175.9 | 140.8 | 0 | 0 | 111.6 | ||||
| 275 | K | 28.9 | Very low | 28.9 | Very low | 215 Ų | 215 | 151.7 Ų | 151.7 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | trans | -148.2 | 131.1 | 140.6 | -73.7 | -156.8 | 176.5 | 174.7 | 0 | 112.2 | ||||
| 276 | E | 28.1 | Very low | 29 | Very low | 171 Ų | 171 | 150 Ų | 150 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -73.7 | 159.5 | 174.3 | -55.1 | 170.6 | 118.6 | 0 | 0 | 112.3 | ||||
| 277 | N | 26.9 | Very low | 29.3 | Very low | 145 Ų | 145 | 155.8 Ų | 155.8 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | -177.3 | 125.6 | 118 | -97 | -57.7 | 0 | 0 | 0 | 114.6 | |||||
| 278 | E | 29.5 | Very low | 29.6 | Very low | 168 Ų | 168 | 159 Ų | 159 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 39.6 | 135.3 | 143.6 | -61 | -165.9 | 149.4 | 0 | 0 | 124.3 | ||||
| 279 | E | 28.5 | Very low | 29.3 | Very low | 189 Ų | 189 | 159.6 Ų | 159.6 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -69.3 | 139.5 | 166.8 | -45.8 | 177.6 | 133.1 | 0 | 0 | 113.1 | ||||
| 280 | K | 30.5 | Very low | 29.1 | Very low | 199 Ų | 199 | 158.7 Ų | 158.7 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -141.5 | 142.1 | 148.2 | -71.2 | -165.5 | 178.4 | 165 | 0 | 112.9 | ||||
| 281 | A | 26 | Very low | 28.9 | Very low | 98 Ų | 98 | 160.2 Ų | 160.2 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -89.6 | 149.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 282 | C | 24.4 | Very low | 29.1 | Very low | 119 Ų | 119 | 161.4 Ų | 161.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 42.6 | 115.2 | 142.1 | -163.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 283 | S | 27.4 | Very low | 29.3 | Very low | 88 Ų | 88 | 161.9 Ų | 161.9 | 62% | 0.615 | 80% | 0.804 | S | S | * | * | 172.6 | 146.2 | 94.5 | 60.1 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 284 | K | 29.1 | Very low | 29.3 | Very low | 176 Ų | 176 | 159.2 Ų | 159.2 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | 66.2 | 113 | 142.3 | -71.9 | 160.5 | -171.1 | 163.8 | 0 | 121.9 | ||||
| 285 | K | 28.6 | Very low | 29.5 | Very low | 177 Ų | 177 | 160.5 Ų | 160.5 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | 95.4 | 115.6 | 129 | -70.2 | 172.9 | 179.6 | 173.7 | 0 | 121.4 | |||||
| 286 | K | 28.6 | Very low | 29.6 | Very low | 173 Ų | 173 | 157.6 Ų | 157.6 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | 71.4 | 115.4 | 130.3 | -71.1 | -175.5 | 174.4 | -178.3 | 0 | 120.6 | ||||
| 287 | R | 30.6 | Very low | 30.1 | Very low | 233 Ų | 233 | 158.5 Ų | 158.5 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | 68.9 | 150.9 | 148.5 | -61.2 | 174.6 | 163.4 | 178.5 | -8.3 | 113.2 | ||||
| 288 | K | 30.4 | Very low | 30.3 | Very low | 192 Ų | 192 | 159 Ų | 159 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | cis | -158.4 | 160.9 | 30 | -153.9 | 177.9 | -177.2 | -172 | 0 | 109.8 | ||||
| 289 | T | 30.6 | Very low | 30.3 | Very low | 132 Ų | 132 | 155.3 Ų | 155.3 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -62 | 140.6 | 167.6 | 45.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 290 | A | 29.2 | Very low | 30.4 | Very low | 97 Ų | 97 | 151.8 Ų | 151.8 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -150 | 140.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 291 | E | 30.8 | Very low | 30.5 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -70.5 | 147.6 | 168.8 | -65.4 | 160.6 | 114.7 | 0 | 0 | 109.9 | ||||
| 292 | I | 31.3 | Very low | 30.6 | Very low | 147 Ų | 147 | 147.4 Ų | 147.4 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -129.9 | 111.4 | 151.4 | -61.1 | -179.4 | 0 | 0 | 0 | 106.5 | D294 | I292-D294 HydrophobicContact CG2-CB 4.26Š| ||
| 293 | I | 37.4 | Very low | 30.7 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -90.1 | 123 | 155 | -65.8 | 167.8 | 0 | 0 | 0 | 104.4 | ||||
| 294 | D | 27.3 | Very low | 30.8 | Very low | 142 Ų | 142 | 149 Ų | 149 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -140.4 | 111.6 | 160.7 | -98.7 | -47.8 | 0 | 0 | 0 | 108 | I292 | I292-D294 HydrophobicContact CG2-CB 4.26Š| ||
| 295 | E | 35.3 | Very low | 30.9 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -83.7 | 129.3 | 159.5 | -68.3 | -173.7 | 162.8 | 0 | 0 | 107.5 | ||||
| 296 | N | 30.2 | Very low | 31.2 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -143.6 | 100.8 | 172.3 | -175 | 38.6 | 0 | 0 | 0 | 110.1 | ||||
| 297 | E | 38.9 | Very low | 31.5 | Very low | 191 Ų | 191 | 144.6 Ų | 144.6 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -92.3 | 123.2 | 168.1 | -72.3 | -163.3 | 159.4 | 0 | 0 | 111.2 | ||||
| 298 | N | 31.1 | Very low | 31.6 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -172.1 | 147.5 | 148.4 | -126 | 4.6 | 0 | 0 | 0 | 107.6 | ||||
| 299 | S | 29.2 | Very low | 31.5 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | cis | -164.4 | 169.8 | 5.2 | 54.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 300 | S | 32.2 | Very low | 31.4 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 74.7 | 143.1 | 151.6 | 147.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 301 | S | 31.1 | Very low | 31.4 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | -169.6 | 141.1 | -6.8 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 302 | A | 30 | Very low | 31.5 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -165.4 | 144 | 143.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 303 | C | 25.9 | Very low | 31.4 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | -115.8 | 168.5 | -169.2 | 46.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 304 | V | 28.3 | Very low | 31.2 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | 152.5 | 139.3 | 131.8 | 164.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 305 | V | 32 | Very low | 31.2 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | trans | 83.4 | 134.5 | 176.4 | -149 | 0 | 0 | 0 | 0 | 120 | ||||
| 306 | E | 35.8 | Very low | 31 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -94.3 | -174.3 | -173.1 | -47.8 | 166.8 | 109.3 | 0 | 0 | 111.8 | ||||
| 307 | M | 34.9 | Very low | 31 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | cis | -164.5 | 167 | 11.8 | -148 | 172.4 | -163.1 | 0 | 0 | 112 | ||||
| 308 | N | 31.7 | Very low | 30.5 | Very low | 127 Ų | 127 | 142 Ų | 142 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | trans | 74.8 | 103.9 | 162.4 | -59.2 | -39.8 | 0 | 0 | 0 | 118.3 | ||||
| 309 | C | 27.4 | Very low | 30.7 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | 95.6 | 139.1 | 81.7 | -76.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 310 | E | 29 | Very low | 31 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | cis | -154.1 | 163.3 | 21.3 | -161.6 | 168.1 | -173.5 | 0 | 0 | 111 | ||||
| 311 | R | 29.3 | Very low | 30.9 | Very low | 201 Ų | 201 | 150.1 Ų | 150.1 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | trans | -140.4 | 135.3 | -179 | -164.2 | -162.9 | -166.7 | -177.4 | 10.2 | 111.5 | ||||
| 312 | P | 33.4 | Very low | 30.8 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | -146.6 | 173.2 | 119.7 | 34.3 | -17.8 | 0 | 0 | 0 | 112.4 | |||||
| 313 | S | 28.9 | Very low | 30.9 | Very low | 112 Ų | 112 | 156 Ų | 156 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | cis | -160.4 | -178.4 | -30.4 | 62.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 314 | L | 33.1 | Very low | 31.1 | Very low | 144 Ų | 144 | 157.2 Ų | 157.2 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | -96.2 | 149.8 | -163.8 | -64.1 | 160.1 | 0 | 0 | 0 | 114.4 | ||||
| 315 | S | 27.5 | Very low | 31.5 | Very low | 124 Ų | 124 | 160.7 Ų | 160.7 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -155.9 | 150.2 | 133.8 | 67 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 316 | K | 31 | Very low | 31.5 | Very low | 192 Ų | 192 | 162.1 Ų | 162.1 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -109.2 | 146.9 | -176.7 | -58.9 | 171.1 | 179 | 175 | 0 | 110.3 | ||||
| 317 | K | 30.3 | Very low | 31.3 | Very low | 208 Ų | 208 | 162.1 Ų | 162.1 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | trans | -175.8 | 128.1 | 137.4 | -100.9 | 151.6 | -171.2 | 179 | 0 | 115.8 | ||||
| 318 | K | 29.4 | Very low | 31.2 | Very low | 205 Ų | 205 | 163 Ų | 163 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | 16.2 | 132.4 | 148.5 | -57.4 | -177.9 | 177.7 | -177.1 | 0 | 121.8 | ||||
| 319 | K | 33.4 | Very low | 31.1 | Very low | 202 Ų | 202 | 164.1 Ų | 164.1 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | trans | -72 | -179.8 | 157.1 | -60.6 | -170.9 | 177.6 | -174.5 | 0 | 111.6 | ||||
| 320 | P | 37.2 | Very low | 31.3 | Very low | 116 Ų | 116 | 164.6 Ų | 164.6 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | cis | -130.7 | 167.8 | -4.5 | 40.2 | -24.8 | 0 | 0 | 0 | 115.3 | ||||
| 321 | K | 28.3 | Very low | 31.4 | Very low | 213 Ų | 213 | 162.6 Ų | 162.6 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | trans | -141.1 | 156.1 | 156.8 | -80.1 | -163.2 | 177.8 | -178.2 | 0 | 112.6 | ||||
| 322 | H | 29.5 | Very low | 31.6 | Very low | 170 Ų | 170 | 162.3 Ų | 162.3 | 79% | 0.787 | 82% | 0.819 | S | S | * | * | trans | -92.7 | 129.7 | -172.7 | 179.7 | -76 | 0 | 0 | 0 | 110.4 | ||||
| 323 | I | 32.7 | Very low | 31.5 | Very low | 158 Ų | 158 | 160.2 Ų | 160.2 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -145.8 | 97 | 171.5 | -56.2 | 179.2 | 0 | 0 | 0 | 104.1 | ||||
| 324 | E | 29.8 | Very low | 31.7 | Very low | 141 Ų | 141 | 164.2 Ų | 164.2 | 66% | 0.659 | 83% | 0.826 | S | S | * | * | 63.2 | 114.5 | 75.5 | -165.7 | 158.7 | -162.1 | 0 | 0 | 112.9 | |||||
| 325 | K | 36.6 | Very low | 31.7 | Very low | 198 Ų | 198 | 167 Ų | 167 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | trans | -84.2 | 128.2 | 178.7 | -61.3 | 175.6 | 180 | -180 | 0 | 108.3 | ||||
| 326 | Q | 32.6 | Very low | 31.9 | Very low | 168 Ų | 168 | 165.3 Ų | 165.3 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -122.5 | 127.3 | 157.8 | -68.3 | -170.1 | 2.5 | 0 | 0 | 108.8 | ||||
| 327 | L | 31.7 | Very low | 32 | Very low | 159 Ų | 159 | 165.2 Ų | 165.2 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | trans | -75.8 | 142 | 170.7 | -67.9 | 100.6 | 0 | 0 | 0 | 108.5 | ||||
| 328 | I | 32 | Very low | 32 | Very low | 155 Ų | 155 | 162.5 Ų | 162.5 | 80% | 0.795 | 83% | 0.826 | S | S | * | * | trans | -99.2 | 110.7 | 162.7 | -66.5 | 173.6 | 0 | 0 | 0 | 106.6 | V330 | I328-V330 HydrophobicContact CG2-CG2 4.12Š| ||
| 329 | N | 29.6 | Very low | 32 | Very low | 150 Ų | 150 | 156.3 Ų | 156.3 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | -87.9 | 137.8 | 162 | -112 | 28.8 | 0 | 0 | 0 | 108 | ||||
| 330 | V | 32.6 | Very low | 31.9 | Very low | 129 Ų | 129 | 151 Ų | 151 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | trans | -132.8 | 136.3 | 159 | 177.6 | 0 | 0 | 0 | 0 | 107.3 | I328 | I328-V330 HydrophobicContact CG2-CG2 4.12Š| ||
| 331 | N | 30.9 | Very low | 31.7 | Very low | 149 Ų | 149 | 155.5 Ų | 155.5 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -57.2 | 145.7 | -172.6 | -71.8 | -7.6 | 0 | 0 | 0 | 114.3 | ||||
| 332 | E | 32.9 | Very low | 32 | Very low | 195 Ų | 195 | 153.9 Ų | 153.9 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | -107.6 | 159.6 | 132.4 | -73.4 | -170.4 | 150.2 | 0 | 0 | 109 | ||||
| 333 | G | 30.6 | Very low | 31.8 | Very low | 77 Ų | 77 | 151 Ų | 151 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -86.9 | -174.8 | -162 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 334 | E | 33.5 | Very low | 31.8 | Very low | 196 Ų | 196 | 151.9 Ų | 151.9 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | -66 | 141 | -175.4 | -57.6 | 160.8 | 136.6 | 0 | 0 | 113 | ||||
| 335 | E | 32.7 | Very low | 31.9 | Very low | 201 Ų | 201 | 153.3 Ų | 153.3 | 94% | 0.939 | 82% | 0.823 | S | S | * | * | -158.8 | 151.7 | 115.5 | -114.1 | -177.5 | -160.9 | 0 | 0 | 110.3 | |||||
| 336 | A | 33.5 | Very low | 31.7 | Very low | 89 Ų | 89 | 152.4 Ų | 152.4 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -115.7 | 140.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 337 | H | 32.6 | Very low | 31.8 | Very low | 191 Ų | 191 | 152.5 Ų | 152.5 | 88% | 0.884 | 83% | 0.826 | S | S | * | * | trans | -154.9 | 143.4 | 139.4 | -127.2 | -78.5 | 0 | 0 | 0 | 114.5 | ||||
| 338 | D | 30 | Very low | 31.9 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 81% | 0.807 | 82% | 0.822 | S | S | * | * | trans | -38.1 | 158.6 | 178.4 | -123.4 | -48.9 | 0 | 0 | 0 | 119.5 | ||||
| 339 | G | 29.9 | Very low | 32 | Very low | 74 Ų | 74 | 149.3 Ų | 149.3 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | trans | 153.6 | 56 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 340 | A | 31.1 | Very low | 32.3 | Very low | 91 Ų | 91 | 151.8 Ų | 151.8 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -67.2 | 143.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 341 | K | 33.7 | Very low | 32.4 | Very low | 210 Ų | 210 | 156 Ų | 156 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -158.6 | 138 | 137.6 | -113.4 | 167.7 | -171.8 | 176.2 | 0 | 112 | ||||
| 342 | E | 32.8 | Very low | 32.5 | Very low | 179 Ų | 179 | 154.5 Ų | 154.5 | 84% | 0.836 | 83% | 0.833 | S | S | * | * | trans | -94.4 | 179.8 | -167.7 | -60.1 | 168.4 | 117 | 0 | 0 | 113.3 | ||||
| 343 | C | 27.1 | Very low | 32.7 | Very low | 109 Ų | 109 | 155.5 Ų | 155.5 | 74% | 0.736 | 84% | 0.835 | S | S | * | * | trans | 82.6 | 137.3 | 156.4 | -55.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 344 | E | 32.2 | Very low | 32.8 | Very low | 177 Ų | 177 | 161.8 Ų | 161.8 | 83% | 0.827 | 84% | 0.84 | S | S | * | * | cis | -156.3 | 177.6 | -25.9 | -124.7 | -166.3 | -165.6 | 0 | 0 | 109.8 | ||||
| 345 | E | 31.1 | Very low | 33.2 | Very low | 172 Ų | 172 | 162.6 Ų | 162.6 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -58.6 | 153.5 | -179.4 | -49.4 | -176.5 | 134.2 | 0 | 0 | 114.9 | ||||
| 346 | E | 33.1 | Very low | 33.4 | Very low | 178 Ų | 178 | 162.5 Ų | 162.5 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | -159.6 | 138.4 | 110.5 | -124.5 | -163 | 171.3 | 0 | 0 | 113.4 | |||||
| 347 | L | 34.1 | Very low | 33.5 | Very low | 171 Ų | 171 | 170 Ų | 170 | 90% | 0.895 | 85% | 0.846 | S | S | * | * | trans | -113.1 | 116.5 | 172.9 | -85.9 | 166.6 | 0 | 0 | 0 | 109.8 | ||||
| 348 | V | 35.1 | Very low | 34 | Very low | 123 Ų | 123 | 169 Ų | 169 | 75% | 0.745 | 84% | 0.839 | S | S | * | * | trans | -128.8 | 150.4 | 170 | -173.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 349 | T | 32.8 | Very low | 34.4 | Very low | 123 Ų | 123 | 172.9 Ų | 172.9 | 76% | 0.755 | 84% | 0.843 | S | S | * | * | trans | -109.5 | 151.5 | -146.8 | 54.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 350 | K | 36.9 | Very low | 35.1 | Very low | 202 Ų | 202 | 176.9 Ų | 176.9 | 88% | 0.878 | 84% | 0.842 | S | S | * | * | trans | -9.4 | 133.6 | 157.1 | -57.7 | 166.9 | -177.6 | 167.3 | 0 | 117.7 | ||||
| 351 | K | 33.8 | Very low | 35.3 | Very low | 217 Ų | 217 | 179.7 Ų | 179.7 | 94% | 0.943 | 84% | 0.844 | S | S | * | * | trans | -140.1 | 132.8 | 134.8 | -75.2 | -169 | 178.9 | 160.7 | 0 | 112.5 | ||||
| 352 | S | 32.1 | Very low | 35.9 | Very low | 119 Ų | 119 | 178.2 Ų | 178.2 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | trans | -99.2 | 149.2 | 168.8 | 60.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 353 | K | 38.6 | Very low | 36.6 | Very low | 216 Ų | 216 | 180.7 Ų | 180.7 | 94% | 0.939 | 86% | 0.859 | S | S | * | * | trans | -144.9 | 121.3 | 167.7 | -127.2 | 171.7 | -174.3 | 176.4 | 0 | 113.6 | ||||
| 354 | K | 32.9 | Very low | 37 | Very low | 209 Ų | 209 | 184.3 Ų | 184.3 | 91% | 0.909 | 87% | 0.865 | S | S | * | * | trans | -77.6 | 124.6 | 179.7 | 178 | -180 | -176 | 174.8 | 0 | 109.9 | ||||
| 355 | K | 40.3 | Very low | 37.3 | Very low | 212 Ų | 212 | 184.7 Ų | 184.7 | 92% | 0.922 | 87% | 0.868 | S | S | * | * | trans | -108 | 127.8 | 173.2 | -150.1 | 171.2 | -174.2 | 179.2 | 0 | 111.1 | ||||
| 356 | K | 37.7 | Very low | 37.6 | Very low | 199 Ų | 199 | 185.4 Ų | 185.4 | 87% | 0.865 | 87% | 0.871 | S | S | * | * | trans | -97.2 | 139 | -172.8 | -177.1 | -179.9 | 177.2 | -176.3 | 0 | 109.6 | ||||
| 357 | R | 35.9 | Very low | 37.9 | Very low | 246 Ų | 246 | 185.8 Ų | 185.8 | 93% | 0.928 | 87% | 0.873 | S | S | * | * | trans | -70.9 | 140.1 | 173.3 | -61.1 | 169.4 | 85.9 | 172.2 | 6.6 | 109.8 | ||||
| 358 | K | 43.3 | Very low | 38.1 | Very low | 171 Ų | 171 | 186.8 Ų | 186.8 | 74% | 0.743 | 87% | 0.872 | S | S | * | * | trans | -125.1 | 142.6 | 159.8 | -159.5 | -163.4 | 174.4 | -147 | 0 | 107.4 | E360 | K358-E360 IonicContact NZ-OE1 3.17Å; K358-E360 PolarHBondContact NZ-OE1 2.94Å | ||
| 359 | R | 37.4 | Very low | 38.3 | Very low | 233 Ų | 233 | 191 Ų | 191 | 88% | 0.879 | 88% | 0.88 | S | S | * | * | trans | -90.9 | 151.8 | 168.2 | -68.6 | 174.5 | 172.5 | 166.1 | -6 | 108.2 | ||||
| 360 | E | 44.7 | Very low | 38.7 | Very low | 158 Ų | 158 | 195.9 Ų | 195.9 | 74% | 0.738 | 89% | 0.889 | S | S | * | * | trans | -139.5 | 138.9 | 159.8 | -145.1 | 120.1 | -114.2 | 0 | 0 | 106.7 | K358 | K358-E360 IonicContact NZ-OE1 3.17Å; K358-E360 PolarHBondContact NZ-OE1 2.94Å | ||
| 361 | N | 35.6 | Very low | 38.9 | Very low | 149 Ų | 149 | 195.4 Ų | 195.4 | 80% | 0.797 | 89% | 0.89 | S | S | * | * | trans | -90.2 | 150.7 | 171.9 | -62.6 | -14 | 0 | 0 | 0 | 108 | ||||
| 362 | Q | 46.1 | Very low | 39.3 | Very low | 179 Ų | 179 | 193.6 Ų | 193.6 | 84% | 0.836 | 89% | 0.886 | S | S | * | * | trans | -136.9 | 125.3 | 147.6 | -74.1 | -170.2 | -43.8 | 0 | 0 | 108.3 | ||||
| 363 | D | 47.1 | Very low | 40 | Very low | 232 Ų | 232 | 200.4 Ų | 200.4 | 100% | 1.241 | 89% | 0.891 | S | S | * | * | trans | 36 | 0 | 152.5 | -48.6 | -24.4 | 0 | 0 | 0 | 120.1 |
Retrieved 363 of 363 residues in 413.8 ms
(Link to these results)