| 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 | 42.8 | Very low | 73.4 | Confident | 211 Ų | 211 | 111.5 Ų | 111.5 | 100% | 1.039 | 56% | 0.555 | S | S | * | * | 0 | 133.5 | 0 | -73.8 | 166.6 | 61.5 | 0 | 0 | 108.8 | L3 | M1-L3 PolarHBondContact O-N 3.14Å; M1-L3 VanDerWaalsContact O-N 3.08Å | |||
| 2 | P | 53.2 | Low | 74.7 | Confident | 133 Ų | 133 | 110.4 Ų | 110.4 | 86% | 0.864 | 55% | 0.547 | S | S | * | . | trans | -74.2 | 93.3 | 164.8 | 31.2 | -30.4 | 0 | 0 | 0 | 108.4 | V4 | P2-V4 PolarHBondContact O-N 2.63Š| ||
| 3 | L | 57.8 | Low | 75.7 | Confident | 122 Ų | 122 | 106 Ų | 106 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | trans | -63.1 | 124.5 | 164.1 | -74.9 | 161.4 | 0 | 0 | 0 | 107.3 | M1 K5 | M1-L3 PolarHBondContact O-N 3.14Å; M1-L3 VanDerWaalsContact O-N 3.08Å; L3-K5 VanDerWaalsContact C-N 3.33Å; L3-K5 PolarHBondContact O-N 2.88Å | ||
| 4 | V | 62.9 | Low | 76.3 | Confident | 100 Ų | 100 | 104.6 Ų | 104.6 | 61% | 0.606 | 53% | 0.531 | S | S | * | . | trans | -65.7 | 97.8 | 172.2 | -179.8 | 0 | 0 | 0 | 0 | 106.8 | P2 R6 N7 | P2-V4 PolarHBondContact O-N 2.63Å; V4-R6 VanDerWaalsContact C-N 3.27Å; V4-R6 PolarHBondContact O-N 3.12Å; V4-N7 WeakPolarHBondContact CG1-OD1 3.37Å | ||
| 5 | K | 66.8 | Low | 76.5 | Confident | 119 Ų | 119 | 111 Ų | 111 | 52% | 0.517 | 55% | 0.546 | S | S | . | . | trans | -61.1 | -37.6 | -173.2 | -70.7 | -173.4 | 176.5 | -176 | 0 | 111.8 | L3 P120 V121 | L3-K5 VanDerWaalsContact C-N 3.33Å; L3-K5 PolarHBondContact O-N 2.88Å; K5-P120 WeakPolarHBondContact O-CB 3.33Å; K5-V121 HydrophobicContact CG-CG2 4.45Å | ||
| 6 | R | 81.9 | Confident | 76.7 | Confident | 45 Ų | 45 | 108.4 Ų | 108.4 | 17% | 0.17 | 56% | 0.556 | C | S | . | * | trans | -129.1 | 112.8 | -170.3 | -70.8 | 179.1 | 156.6 | 100 | 13.2 | 109.5 | V4 H47 D50 E54 P120 | V4-R6 VanDerWaalsContact C-N 3.27Å; V4-R6 PolarHBondContact O-N 3.12Å; R6-H47 WeakPolarHBondContact CB-ND1 3.35Å; R6-H47 VanDerWaalsContact CG-ND1 3.33Å; R6-H47 WeakPolarHBondContact CG-ND1 3.4Å; R6-D50 IonicContact NH2-OD2 3.56Å; R6-E54 IonicContact CZ-OE1 2.83Å; R6-E54 IonicContact CZ-OE2 2.7Å; R6-E54 IonicContact NH1-OE1 2.78Å; R6-E54 PolarHBondContact NH1-OE1 3.39Å; R6-E54 IonicContact NH1-OE2 3.67Å; R6-E54 PolarHBondContact NH1-OE2 3.12Å; R6-E54 IonicContact NH2-OE1 2.76Å; R6-E54 PolarHBondContact NH2-OE1 3.45Å; R6-E54 IonicContact NH2-OE2 3.66Å; R6-P120 HydrophobicContact CG-CB 3.91Å; R6-P120 HydrophobicContact CG-CG 3.77Å; R6-P120 VanDerWaalsContact CZ-CG 3.43Å | ||
| 7 | N | 85.2 | Confident | 77 | Confident | 74 Ų | 74 | 108.1 Ų | 108.1 | 40% | 0.396 | 57% | 0.573 | S | S | . | * | trans | -98.9 | 129.6 | 174.5 | -71.2 | -41.1 | 0 | 0 | 0 | 109.3 | V4 H47 | V4-N7 WeakPolarHBondContact CG1-OD1 3.37Å; N7-H47 PolarHBondContact O-NE2 2.85Å | ||
| 8 | I | 89.1 | Confident | 77.4 | Confident | 55 Ų | 55 | 105.3 Ų | 105.3 | 28% | 0.282 | 56% | 0.559 | S | S | . | * | trans | -87.9 | 130.4 | 175.3 | -42.7 | -56.2 | 0 | 0 | 0 | 109.2 | Q40 L44 H47 | I8-Q40 HydrophobicContact CG2-CG 3.51Å; I8-Q40 VanDerWaalsContact CG2-O 3.3Å; I8-Q40 WeakPolarHBondContact CG2-O 3.42Å; I8-L44 HydrophobicContact CD1-CD1 3.99Å; I8-L44 HydrophobicContact CG2-CB 4.35Å; I8-H47 HydrophobicContact CD1-CB 4.47Å; I8-H47 VanDerWaalsContact CD1-CD2 3.46Å; I8-H47 WeakPolarHBondContact CD1-CD2 3.35Å | ||
| 9 | E | 89.1 | Confident | 77.7 | Confident | 122 Ų | 122 | 104.5 Ų | 104.5 | 57% | 0.57 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -121.6 | 138.9 | -177.4 | -64.5 | -170.4 | 172 | 0 | 0 | 112.2 | R39 Q40 S43 | E9-R39 CarbonylContact O-C 3.56Å; E9-Q40 WeakPolarHBondContact O-CA 3.27Å; E9-S43 PolarHBondContact N-OG 3.2Å; E9-S43 WeakPolarHBondContact O-CB 3.5Å |
| 10 | P | 91.1 | Very high | 78.1 | Confident | 37 Ų | 37 | 109.3 Ų | 109.3 | 24% | 0.24 | 58% | 0.579 | C | S | . | * | cis | -75.4 | 144.9 | -0.8 | 30.9 | -35.5 | 0 | 0 | 0 | 112.8 | L13 A36 R39 Q40 | P10-L13 HydrophobicContact CG-CD2 4.39Å; P10-A36 WeakPolarHBondContact CD-O 2.97Å; P10-A36 HydrophobicContact CG-CB 3.93Å; P10-A36 WeakPolarHBondContact CG-O 3.44Å; P10-R39 HydrophobicContact CG-CB 4.45Å; P10-Q40 PolarHBondContact O-NE2 2.89Å | ||
| 11 | R | 87.1 | Confident | 78.4 | Confident | 208 Ų | 208 | 108 Ų | 108 | 79% | 0.785 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -76.3 | -24.6 | 177.4 | -172.1 | 172.9 | -178.3 | 177 | 1.8 | 113.6 | ||
| 12 | H | 89.3 | Confident | 80.4 | Confident | 99 Ų | 99 | 100.4 Ų | 100.4 | 46% | 0.458 | 55% | 0.554 | S | S | . | * | trans | -120.8 | 127.2 | 177.9 | -53.3 | 109.8 | 0 | 0 | 0 | 109.2 | R15 | H12-R15 HydrophobicContact CB-CB 3.93Å; H12-R15 HydrophobicContact CB-CG 4.07Å; H12-R15 PolarHBondContact NE2-NH1 3.12Å | ||
| 13 | L | 87.4 | Confident | 81.9 | Confident | 53 Ų | 53 | 101.2 Ų | 101.2 | 28% | 0.277 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -91.8 | -27.9 | -173.9 | -58.2 | 174.1 | 0 | 0 | 0 | 113.7 | P10 T33 A36 I37 Q40 | P10-L13 HydrophobicContact CG-CD2 4.39Å; L13-T33 HydrophobicContact CB-CG2 4.23Å; L13-A36 HydrophobicContact CB-CB 4.32Å; L13-A36 HydrophobicContact CD2-CB 3.8Å; L13-I37 HydrophobicContact CD1-CD1 4.37Å; L13-I37 HydrophobicContact CD1-CG1 3.73Å; L13-I37 HydrophobicContact CD2-CG1 4.04Å; L13-I37 HydrophobicContact CG-CG1 4.42Å; L13-Q40 HydrophobicContact CD2-CB 4.4Å |
| 14 | C | 84.1 | Confident | 83.4 | Confident | 87 Ų | 87 | 97.5 Ų | 97.5 | 59% | 0.588 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -128 | 18.1 | -171.6 | -36.9 | 0 | 0 | 0 | 0 | 113.1 | T33 | C14-T33 PolarHBondContact SG-OG1 3.37Š|
| 15 | R | 80.3 | Confident | 84.7 | Confident | 200 Ų | 200 | 98.9 Ų | 98.9 | 76% | 0.755 | 54% | 0.541 | S | S | * | . | trans | -97.4 | 101.3 | 179 | -75.9 | -170.5 | 172.5 | 176.4 | -11.3 | 110.7 | H12 | H12-R15 HydrophobicContact CB-CB 3.93Å; H12-R15 HydrophobicContact CB-CG 4.07Å; H12-R15 PolarHBondContact NE2-NH1 3.12Å | ||
| 16 | G | 78.8 | Confident | 85.8 | Confident | 69 Ų | 69 | 99.6 Ų | 99.6 | 71% | 0.711 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -174.2 | 155.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 17 | A | 81.5 | Confident | 86.3 | Confident | 103 Ų | 103 | 103.8 Ų | 103.8 | 85% | 0.851 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 143.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 18 | L | 84.3 | Confident | 86.5 | Confident | 59 Ų | 59 | 101.9 Ų | 101.9 | 31% | 0.309 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -76.9 | 141.7 | 172.2 | -72.9 | 177.8 | 0 | 0 | 0 | 110.2 | I22 E25 C28 V29 | L18-I22 HydrophobicContact CB-CD1 3.98Å; L18-I22 HydrophobicContact CD2-CD1 4.29Å; L18-E25 HydrophobicContact CD1-CB 3.68Å; L18-E25 HydrophobicContact CD1-CG 3.88Å; L18-C28 HydrophobicContact CD2-CB 4.2Å; L18-V29 HydrophobicContact CD1-CG2 3.91Å; L18-V29 HydrophobicContact CD2-CG2 3.83Å; L18-V29 HydrophobicContact CG-CG2 4.22Å |
| 19 | P | 84 | Confident | 86.6 | Confident | 90 Ų | 90 | 102 Ų | 102 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 145 | 166.8 | -27.1 | 30.7 | 0 | 0 | 0 | 113.1 | I22 | P19-I22 HydrophobicContact CB-CD1 3.96Å; P19-I22 HydrophobicContact CB-CG1 4.28Å; P19-I22 HydrophobicContact CG-CD1 4.18Å; P19-I22 WeakPolarHBondContact O-CD1 3.46Å; P19-I22 WeakPolarHBondContact O-CG1 3.38Å |
| 20 | E | 84.9 | Confident | 86.8 | Confident | 200 Ų | 200 | 99.6 Ų | 99.6 | 94% | 0.935 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 143.9 | 175.5 | -64.3 | -179.8 | -175.3 | 0 | 0 | 111.3 | ||
| 21 | G | 84.6 | Confident | 86.8 | Confident | 81 Ų | 81 | 103.1 Ų | 103.1 | 84% | 0.835 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.1 | 13.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 22 | I | 85.6 | Confident | 87 | Confident | 52 Ų | 52 | 96.2 Ų | 96.2 | 27% | 0.267 | 56% | 0.561 | S | S | . | * | trans | -75.4 | 134.8 | 175.9 | -57.4 | 161.5 | 0 | 0 | 0 | 110.6 | L18 P19 C28 | L18-I22 HydrophobicContact CB-CD1 3.98Å; L18-I22 HydrophobicContact CD2-CD1 4.29Å; P19-I22 HydrophobicContact CB-CD1 3.96Å; P19-I22 HydrophobicContact CB-CG1 4.28Å; P19-I22 HydrophobicContact CG-CD1 4.18Å; P19-I22 WeakPolarHBondContact O-CD1 3.46Å; P19-I22 WeakPolarHBondContact O-CG1 3.38Å; I22-C28 HydrophobicContact CD1-CB 4.17Å; I22-C28 HydrophobicContact CG2-CB 4.1Å | ||
| 23 | T | 84 | Confident | 87.3 | Confident | 150 Ų | 150 | 92.7 Ų | 92.7 | 92% | 0.92 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -80.8 | -28.8 | 177.2 | 52.2 | 0 | 0 | 0 | 0 | 114 | ||
| 24 | S | 88.8 | Confident | 87.6 | Confident | 45 Ų | 45 | 94.6 Ų | 94.6 | 32% | 0.315 | 56% | 0.556 | S | S | . | * | trans | -130.4 | 80.4 | -176.3 | -172.1 | 0 | 0 | 0 | 0 | 110.1 | L26 E27 C28 | S24-L26 VanDerWaalsContact C-N 3.34Å; S24-L26 PolarHBondContact O-N 3.08Å; S24-E27 WeakPolarHBondContact CB-OE2 3.43Å; S24-E27 PolarHBondContact O-N 3.26Å; S24-E27 WeakPolarHBondContact OG-CB 3.34Å; S24-E27 PolarHBondContact OG-OE2 3.16Å; S24-C28 PolarHBondContact O-N 3.42Å; S24-C28 VanDerWaalsContact O-N 3.11Å | ||
| 25 | E | 90.6 | Very high | 88.1 | Confident | 129 Ų | 129 | 92.3 Ų | 92.3 | 60% | 0.603 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.1 | -43.8 | -177.8 | -69.4 | -173.9 | 176.3 | 0 | 0 | 112.5 | L18 E27 C28 V29 | L18-E25 HydrophobicContact CD1-CB 3.68Å; L18-E25 HydrophobicContact CD1-CG 3.88Å; E25-E27 PolarHBondContact O-N 3.43Å; E25-C28 WeakPolarHBondContact O-CB 3.48Å; E25-C28 PolarHBondContact O-N 2.82Å; E25-V29 WeakPolarHBondContact O-CG2 3.42Å; E25-V29 PolarHBondContact O-N 3.31Å |
| 26 | L | 91 | Very high | 88.8 | Confident | 134 Ų | 134 | 83.3 Ų | 83.3 | 70% | 0.702 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.6 | -39 | -178.4 | 179.4 | 61.1 | 0 | 0 | 0 | 112.7 | S24 V29 T30 | S24-L26 VanDerWaalsContact C-N 3.34Å; S24-L26 PolarHBondContact O-N 3.08Å; L26-V29 PolarHBondContact O-N 2.68Å; L26-T30 WeakPolarHBondContact O-CB 3.21Å; L26-T30 PolarHBondContact O-N 3.41Å; L26-T30 PolarHBondContact O-OG1 3.44Å |
| 27 | E | 90.9 | Very high | 89.7 | Confident | 133 Ų | 133 | 82.8 Ų | 82.8 | 62% | 0.621 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.9 | -40.5 | 175.8 | -174.8 | 180 | 176.7 | 0 | 0 | 110.9 | S24 E25 T30 N31 | S24-E27 WeakPolarHBondContact CB-OE2 3.43Å; S24-E27 PolarHBondContact O-N 3.26Å; S24-E27 WeakPolarHBondContact OG-CB 3.34Å; S24-E27 PolarHBondContact OG-OE2 3.16Å; E25-E27 PolarHBondContact O-N 3.43Å; E27-T30 PolarHBondContact O-N 3.16Å; E27-N31 VanDerWaalsContact O-CB 3.31Å; E27-N31 WeakPolarHBondContact O-CB 3.37Å; E27-N31 PolarHBondContact O-N 3.34Å |
| 28 | C | 89.5 | Confident | 90.4 | Very high | 34 Ų | 34 | 83.4 Ų | 83.4 | 23% | 0.23 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -62 | -44.8 | 174.3 | -170.8 | 0 | 0 | 0 | 0 | 112 | L18 I22 S24 E25 S32 | L18-C28 HydrophobicContact CD2-CB 4.2Å; I22-C28 HydrophobicContact CD1-CB 4.17Å; I22-C28 HydrophobicContact CG2-CB 4.1Å; S24-C28 PolarHBondContact O-N 3.42Å; S24-C28 VanDerWaalsContact O-N 3.11Å; E25-C28 WeakPolarHBondContact O-CB 3.48Å; E25-C28 PolarHBondContact O-N 2.82Å; C28-S32 VanDerWaalsContact O-CB 3.22Å; C28-S32 WeakPolarHBondContact O-CB 3.44Å; C28-S32 PolarHBondContact O-N 3.26Å; C28-S32 PolarHBondContact O-OG 3.08Å |
| 29 | V | 91.9 | Very high | 90.9 | Very high | 56 Ų | 56 | 88.8 Ų | 88.8 | 34% | 0.339 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -50.6 | 173.9 | 175 | 0 | 0 | 0 | 0 | 110.3 | L18 E25 L26 N31 S32 T33 | L18-V29 HydrophobicContact CD1-CG2 3.91Å; L18-V29 HydrophobicContact CD2-CG2 3.83Å; L18-V29 HydrophobicContact CG-CG2 4.22Å; E25-V29 WeakPolarHBondContact O-CG2 3.42Å; E25-V29 PolarHBondContact O-N 3.31Å; L26-V29 PolarHBondContact O-N 2.68Å; V29-N31 PolarHBondContact O-N 3.11Å; V29-S32 PolarHBondContact O-N 3.43Å; V29-T33 WeakPolarHBondContact O-CB 3.35Å; V29-T33 PolarHBondContact O-N 2.92Å; V29-T33 PolarHBondContact O-OG1 3.21Å |
| 30 | T | 92.3 | Very high | 91.5 | Very high | 72 Ų | 72 | 87.3 Ų | 87.3 | 44% | 0.442 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.8 | -48.8 | -179 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | L26 E27 T33 L34 | L26-T30 WeakPolarHBondContact O-CB 3.21Å; L26-T30 PolarHBondContact O-N 3.41Å; L26-T30 PolarHBondContact O-OG1 3.44Å; E27-T30 PolarHBondContact O-N 3.16Å; T30-T33 PolarHBondContact O-N 3.17Å; T30-L34 HydrophobicContact CG2-CD1 4.15Å; T30-L34 WeakPolarHBondContact O-CG 3.46Å; T30-L34 PolarHBondContact O-N 2.79Å |
| 31 | N | 92.4 | Very high | 92 | Very high | 112 Ų | 112 | 82.5 Ų | 82.5 | 60% | 0.599 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.8 | -40.3 | 179.2 | -169.8 | 32 | 0 | 0 | 0 | 112 | E27 V29 T33 L34 A35 | E27-N31 VanDerWaalsContact O-CB 3.31Å; E27-N31 WeakPolarHBondContact O-CB 3.37Å; E27-N31 PolarHBondContact O-N 3.34Å; V29-N31 PolarHBondContact O-N 3.11Å; N31-T33 PolarHBondContact O-N 3.23Å; N31-L34 PolarHBondContact O-N 3.41Å; N31-A35 WeakPolarHBondContact O-CB 3.21Å; N31-A35 PolarHBondContact O-N 2.87Å |
| 32 | S | 91.4 | Very high | 92.6 | Very high | 63 Ų | 63 | 82.5 Ų | 82.5 | 44% | 0.441 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 174.8 | -60.3 | 0 | 0 | 0 | 0 | 112.1 | C28 V29 A35 A36 | C28-S32 VanDerWaalsContact O-CB 3.22Å; C28-S32 WeakPolarHBondContact O-CB 3.44Å; C28-S32 PolarHBondContact O-N 3.26Å; C28-S32 PolarHBondContact O-OG 3.08Å; V29-S32 PolarHBondContact O-N 3.43Å; S32-A35 PolarHBondContact O-N 2.92Å; S32-A36 WeakPolarHBondContact O-CB 3.35Å; S32-A36 PolarHBondContact O-N 3.3Å |
| 33 | T | 93.9 | Very high | 93 | Very high | 25 Ų | 25 | 81 Ų | 81 | 15% | 0.153 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 174.5 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | L13 C14 V29 T30 N31 A36 I37 | L13-T33 HydrophobicContact CB-CG2 4.23Å; C14-T33 PolarHBondContact SG-OG1 3.37Å; V29-T33 WeakPolarHBondContact O-CB 3.35Å; V29-T33 PolarHBondContact O-N 2.92Å; V29-T33 PolarHBondContact O-OG1 3.21Å; T30-T33 PolarHBondContact O-N 3.17Å; N31-T33 PolarHBondContact O-N 3.23Å; T33-A36 WeakPolarHBondContact O-CB 3.49Å; T33-A36 PolarHBondContact O-N 3.3Å; T33-I37 HydrophobicContact CG2-CD1 4.01Å; T33-I37 VanDerWaalsContact O-CG1 3.29Å; T33-I37 WeakPolarHBondContact O-CG1 3.47Å; T33-I37 PolarHBondContact O-N 3.2Å |
| 34 | L | 95.7 | Very high | 93.6 | Very high | 92 Ų | 92 | 78.2 Ų | 78.2 | 48% | 0.482 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 175.1 | -71.8 | 170.8 | 0 | 0 | 0 | 111.7 | T30 N31 A36 I37 I38 | T30-L34 HydrophobicContact CG2-CD1 4.15Å; T30-L34 WeakPolarHBondContact O-CG 3.46Å; T30-L34 PolarHBondContact O-N 2.79Å; N31-L34 PolarHBondContact O-N 3.41Å; L34-A36 VanDerWaalsContact C-N 3.31Å; L34-A36 PolarHBondContact O-N 3.45Å; L34-I37 PolarHBondContact O-N 3.42Å; L34-I38 WeakPolarHBondContact O-CG1 3.3Å; L34-I38 PolarHBondContact O-N 3.12Å |
| 35 | A | 94.4 | Very high | 93.9 | Very high | 39 Ų | 39 | 79.8 Ų | 79.8 | 32% | 0.322 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.6 | -37.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N31 S32 I38 R39 | N31-A35 WeakPolarHBondContact O-CB 3.21Å; N31-A35 PolarHBondContact O-N 2.87Å; S32-A35 PolarHBondContact O-N 2.92Å; A35-I38 PolarHBondContact O-N 2.89Å; A35-R39 WeakPolarHBondContact O-CG 3.22Å; A35-R39 PolarHBondContact O-N 2.95Å; A35-R39 VanDerWaalsContact O-N 3.09Å |
| 36 | A | 94.8 | Very high | 94 | Very high | 11 Ų | 11 | 78.2 Ų | 78.2 | 9% | 0.091 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P10 L13 S32 T33 L34 R39 Q40 | P10-A36 WeakPolarHBondContact CD-O 2.97Å; P10-A36 HydrophobicContact CG-CB 3.93Å; P10-A36 WeakPolarHBondContact CG-O 3.44Å; L13-A36 HydrophobicContact CB-CB 4.32Å; L13-A36 HydrophobicContact CD2-CB 3.8Å; S32-A36 WeakPolarHBondContact O-CB 3.35Å; S32-A36 PolarHBondContact O-N 3.3Å; T33-A36 WeakPolarHBondContact O-CB 3.49Å; T33-A36 PolarHBondContact O-N 3.3Å; L34-A36 VanDerWaalsContact C-N 3.31Å; L34-A36 PolarHBondContact O-N 3.45Å; A36-R39 PolarHBondContact O-N 2.97Å; A36-Q40 WeakPolarHBondContact O-CB 3.4Å; A36-Q40 PolarHBondContact O-N 3.25Å |
| 37 | I | 96.4 | Very high | 94.1 | Very high | 58 Ų | 58 | 72.9 Ų | 72.9 | 30% | 0.297 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 174.3 | -69.9 | 163.6 | 0 | 0 | 0 | 110.7 | L13 T33 L34 R39 Q40 L41 | L13-I37 HydrophobicContact CD1-CD1 4.37Å; L13-I37 HydrophobicContact CD1-CG1 3.73Å; L13-I37 HydrophobicContact CD2-CG1 4.04Å; L13-I37 HydrophobicContact CG-CG1 4.42Å; T33-I37 HydrophobicContact CG2-CD1 4.01Å; T33-I37 VanDerWaalsContact O-CG1 3.29Å; T33-I37 WeakPolarHBondContact O-CG1 3.47Å; T33-I37 PolarHBondContact O-N 3.2Å; L34-I37 PolarHBondContact O-N 3.42Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 2.79Å; I37-Q40 WeakPolarHBondContact O-CB 3.42Å; I37-Q40 PolarHBondContact O-N 3.22Å; I37-Q40 VanDerWaalsContact O-N 3.1Å; I37-L41 HydrophobicContact CG2-CD1 4.15Å; I37-L41 HydrophobicContact CG2-CG 4.45Å; I37-L41 WeakPolarHBondContact O-CG 3.5Å; I37-L41 PolarHBondContact O-N 3.45Å |
| 38 | I | 96.5 | Very high | 94.3 | Very high | 116 Ų | 116 | 68.1 Ų | 68.1 | 60% | 0.595 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.8 | -43 | 177.4 | -67.9 | 164.1 | 0 | 0 | 0 | 110.9 | L34 A35 Q40 L41 S42 | L34-I38 WeakPolarHBondContact O-CG1 3.3Å; L34-I38 PolarHBondContact O-N 3.12Å; A35-I38 PolarHBondContact O-N 2.89Å; I38-Q40 VanDerWaalsContact C-N 3.34Å; I38-L41 PolarHBondContact O-N 3.09Å; I38-S42 PolarHBondContact O-N 3.28Å |
| 39 | R | 95.7 | Very high | 94.5 | Very high | 173 Ų | 173 | 73.4 Ų | 73.4 | 65% | 0.653 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.4 | -40.8 | 173.1 | -70.8 | 172.5 | -179.4 | 168.3 | 1.1 | 112 | E9 P10 A35 A36 I37 L41 S42 S43 | E9-R39 CarbonylContact O-C 3.56Å; P10-R39 HydrophobicContact CG-CB 4.45Å; A35-R39 WeakPolarHBondContact O-CG 3.22Å; A35-R39 PolarHBondContact O-N 2.95Å; A35-R39 VanDerWaalsContact O-N 3.09Å; A36-R39 PolarHBondContact O-N 2.97Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 2.79Å; R39-L41 PolarHBondContact O-N 2.87Å; R39-S42 WeakPolarHBondContact O-CB 3.41Å; R39-S42 PolarHBondContact O-N 2.92Å; R39-S43 PolarHBondContact O-N 3.08Å |
| 40 | Q | 95.5 | Very high | 94.5 | Very high | 58 Ų | 58 | 72.4 Ų | 72.4 | 27% | 0.271 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 178.4 | -163.5 | 178.9 | 71.2 | 0 | 0 | 111.9 | I8 E9 P10 L13 A36 I37 I38 S43 L44 | I8-Q40 HydrophobicContact CG2-CG 3.51Å; I8-Q40 VanDerWaalsContact CG2-O 3.3Å; I8-Q40 WeakPolarHBondContact CG2-O 3.42Å; E9-Q40 WeakPolarHBondContact O-CA 3.27Å; P10-Q40 PolarHBondContact O-NE2 2.89Å; L13-Q40 HydrophobicContact CD2-CB 4.4Å; A36-Q40 WeakPolarHBondContact O-CB 3.4Å; A36-Q40 PolarHBondContact O-N 3.25Å; I37-Q40 WeakPolarHBondContact O-CB 3.42Å; I37-Q40 PolarHBondContact O-N 3.22Å; I37-Q40 VanDerWaalsContact O-N 3.1Å; I38-Q40 VanDerWaalsContact C-N 3.34Å; Q40-S43 PolarHBondContact O-N 3.14Å; Q40-L44 WeakPolarHBondContact O-CB 3.21Å; Q40-L44 PolarHBondContact O-N 3.07Å |
| 41 | L | 96.8 | Very high | 94.6 | Very high | 99 Ų | 99 | 72.2 Ų | 72.2 | 52% | 0.518 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 172.9 | -69.2 | 172.7 | 0 | 0 | 0 | 111.8 | I37 I38 R39 L44 S45 | I37-L41 HydrophobicContact CG2-CD1 4.15Å; I37-L41 HydrophobicContact CG2-CG 4.45Å; I37-L41 WeakPolarHBondContact O-CG 3.5Å; I37-L41 PolarHBondContact O-N 3.45Å; I38-L41 PolarHBondContact O-N 3.09Å; R39-L41 PolarHBondContact O-N 2.87Å; L41-L44 WeakPolarHBondContact O-CB 3.36Å; L41-L44 PolarHBondContact O-N 3.48Å; L41-S45 PolarHBondContact O-N 2.97Å; L41-S45 PolarHBondContact O-OG 3.2Å |
| 42 | S | 96.8 | Very high | 94.8 | Very high | 81 Ų | 81 | 73.7 Ų | 73.7 | 57% | 0.566 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.1 | -42.2 | 174.3 | 174.3 | 0 | 0 | 0 | 0 | 112.4 | I38 R39 S45 K46 | I38-S42 PolarHBondContact O-N 3.28Å; R39-S42 WeakPolarHBondContact O-CB 3.41Å; R39-S42 PolarHBondContact O-N 2.92Å; S42-S45 PolarHBondContact O-N 3.48Å; S42-K46 PolarHBondContact O-N 3.26Å; S42-K46 VanDerWaalsContact O-N 3.09Å |
| 43 | S | 94.1 | Very high | 95 | Very high | 22 Ų | 22 | 72 Ų | 72 | 15% | 0.154 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 173.1 | 180 | 0 | 0 | 0 | 0 | 111.4 | E9 R39 Q40 S45 K46 H47 | E9-S43 PolarHBondContact N-OG 3.2Å; E9-S43 WeakPolarHBondContact O-CB 3.5Å; R39-S43 PolarHBondContact O-N 3.08Å; Q40-S43 PolarHBondContact O-N 3.14Å; S43-S45 PolarHBondContact O-N 3.27Å; S43-K46 PolarHBondContact O-N 2.82Å; S43-H47 PolarHBondContact O-CD2 2.97Å; S43-H47 PolarHBondContact O-N 3.22Å; S43-H47 VanDerWaalsContact O-N 3.12Å |
| 44 | L | 95.1 | Very high | 95 | Very high | 90 Ų | 90 | 74.6 Ų | 74.6 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 174.9 | -179.3 | 63.2 | 0 | 0 | 0 | 112.4 | I8 Q40 L41 H47 A48 | I8-L44 HydrophobicContact CD1-CD1 3.99Å; I8-L44 HydrophobicContact CG2-CB 4.35Å; Q40-L44 WeakPolarHBondContact O-CB 3.21Å; Q40-L44 PolarHBondContact O-N 3.07Å; L41-L44 WeakPolarHBondContact O-CB 3.36Å; L41-L44 PolarHBondContact O-N 3.48Å; L44-H47 PolarHBondContact O-N 3.21Å; L44-A48 WeakPolarHBondContact O-CB 3.37Å; L44-A48 PolarHBondContact O-N 2.83Å |
| 45 | S | 96.6 | Very high | 95 | Very high | 79 Ų | 79 | 75 Ų | 75 | 55% | 0.552 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.7 | -44.6 | 175.4 | -65.9 | 0 | 0 | 0 | 0 | 112.4 | L41 S42 S43 H47 A48 E49 | L41-S45 PolarHBondContact O-N 2.97Å; L41-S45 PolarHBondContact O-OG 3.2Å; S42-S45 PolarHBondContact O-N 3.48Å; S43-S45 PolarHBondContact O-N 3.27Å; S45-H47 VanDerWaalsContact C-N 3.33Å; S45-H47 PolarHBondContact O-N 2.96Å; S45-A48 PolarHBondContact O-N 3.48Å; S45-E49 PolarHBondContact O-N 3.49Å |
| 46 | K | 92.8 | Very high | 95.2 | Very high | 95 Ų | 95 | 79.6 Ų | 79.6 | 41% | 0.413 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -56.3 | -48.8 | 173.1 | -178.2 | -167.2 | 168.2 | -170.5 | 0 | 110.7 | S42 S43 A48 E49 D50 D123 | S42-K46 PolarHBondContact O-N 3.26Å; S42-K46 VanDerWaalsContact O-N 3.09Å; S43-K46 PolarHBondContact O-N 2.82Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-A48 PolarHBondContact O-N 3.39Å; K46-E49 WeakPolarHBondContact O-CB 3.5Å; K46-E49 PolarHBondContact O-N 3.49Å; K46-D50 PolarHBondContact O-N 2.83Å; K46-D123 IonicContact NZ-OD2 2.87Å; K46-D123 PolarHBondContact NZ-OD2 2.81Å |
| 47 | H | 91.9 | Very high | 95.3 | Very high | 22 Ų | 22 | 83.4 Ų | 83.4 | 10% | 0.102 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.7 | -33.8 | -179 | -74.6 | -59.2 | 0 | 0 | 0 | 113.2 | R6 N7 I8 S43 L44 S45 I51 | R6-H47 WeakPolarHBondContact CB-ND1 3.35Å; R6-H47 VanDerWaalsContact CG-ND1 3.33Å; R6-H47 WeakPolarHBondContact CG-ND1 3.4Å; N7-H47 PolarHBondContact O-NE2 2.85Å; I8-H47 HydrophobicContact CD1-CB 4.47Å; I8-H47 VanDerWaalsContact CD1-CD2 3.46Å; I8-H47 WeakPolarHBondContact CD1-CD2 3.35Å; S43-H47 PolarHBondContact O-CD2 2.97Å; S43-H47 PolarHBondContact O-N 3.22Å; S43-H47 VanDerWaalsContact O-N 3.12Å; L44-H47 PolarHBondContact O-N 3.21Å; S45-H47 VanDerWaalsContact C-N 3.33Å; S45-H47 PolarHBondContact O-N 2.96Å; H47-I51 WeakPolarHBondContact O-CD1 3.23Å; H47-I51 VanDerWaalsContact O-CG1 3.23Å; H47-I51 WeakPolarHBondContact O-CG1 3.36Å; H47-I51 PolarHBondContact O-N 3.03Å |
| 48 | A | 94.8 | Very high | 95.4 | Very high | 34 Ų | 34 | 87.5 Ų | 87.5 | 28% | 0.281 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.2 | -43.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L44 S45 K46 D50 I51 F52 | L44-A48 WeakPolarHBondContact O-CB 3.37Å; L44-A48 PolarHBondContact O-N 2.83Å; S45-A48 PolarHBondContact O-N 3.48Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-A48 PolarHBondContact O-N 3.39Å; A48-D50 PolarHBondContact O-N 3.28Å; A48-I51 PolarHBondContact O-N 3.26Å; A48-F52 HydrophobicContact CB-CD2 4.49Å; A48-F52 HydrophobicContact CB-CE2 4.37Å; A48-F52 WeakPolarHBondContact O-CD2 3.28Å; A48-F52 PolarHBondContact O-N 3.42Å |
| 49 | E | 94.7 | Very high | 95.4 | Very high | 144 Ų | 144 | 84.8 Ų | 84.8 | 67% | 0.673 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -56 | -48.7 | 173.7 | -176.7 | -179.3 | 176.5 | 0 | 0 | 111.2 | S45 K46 I51 F52 G53 | S45-E49 PolarHBondContact O-N 3.49Å; K46-E49 WeakPolarHBondContact O-CB 3.5Å; K46-E49 PolarHBondContact O-N 3.49Å; E49-I51 VanDerWaalsContact C-N 3.33Å; E49-I51 PolarHBondContact O-N 3.46Å; E49-F52 PolarHBondContact O-N 3.4Å; E49-G53 PolarHBondContact O-N 2.93Å |
| 50 | D | 92.1 | Very high | 95.6 | Very high | 36 Ų | 36 | 79.4 Ų | 79.4 | 19% | 0.193 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 177.8 | -64 | -31.2 | 0 | 0 | 0 | 112.2 | R6 K46 A48 G53 E54 | R6-D50 IonicContact NH2-OD2 3.56Å; K46-D50 PolarHBondContact O-N 2.83Å; A48-D50 PolarHBondContact O-N 3.28Å; D50-G53 PolarHBondContact O-N 3.35Å; D50-E54 WeakPolarHBondContact O-CB 3.47Å; D50-E54 WeakPolarHBondContact O-CG 3.5Å; D50-E54 PolarHBondContact O-N 2.78Å |
| 51 | I | 93.4 | Very high | 95.7 | Very high | 68 Ų | 68 | 81.2 Ų | 81.2 | 35% | 0.349 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.3 | -47.3 | 179.4 | -70.8 | 164.5 | 0 | 0 | 0 | 110.7 | H47 A48 E49 G53 E54 L55 | H47-I51 WeakPolarHBondContact O-CD1 3.23Å; H47-I51 VanDerWaalsContact O-CG1 3.23Å; H47-I51 WeakPolarHBondContact O-CG1 3.36Å; H47-I51 PolarHBondContact O-N 3.03Å; A48-I51 PolarHBondContact O-N 3.26Å; E49-I51 VanDerWaalsContact C-N 3.33Å; E49-I51 PolarHBondContact O-N 3.46Å; I51-G53 VanDerWaalsContact C-N 3.3Å; I51-G53 PolarHBondContact O-N 3.06Å; I51-E54 PolarHBondContact O-N 2.98Å; I51-L55 HydrophobicContact CG2-CD1 4.07Å; I51-L55 WeakPolarHBondContact O-CG 3.3Å; I51-L55 PolarHBondContact O-N 3.4Å |
| 52 | F | 96.9 | Very high | 95.8 | Very high | 142 Ų | 142 | 83.4 Ų | 83.4 | 62% | 0.623 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -68.5 | -31.8 | 178.2 | -69.2 | -57.9 | 0 | 0 | 0 | 111.9 | A48 E49 F56 | A48-F52 HydrophobicContact CB-CD2 4.49Å; A48-F52 HydrophobicContact CB-CE2 4.37Å; A48-F52 WeakPolarHBondContact O-CD2 3.28Å; A48-F52 PolarHBondContact O-N 3.42Å; E49-F52 PolarHBondContact O-N 3.4Å; F52-F56 WeakPolarHBondContact O-CB 3.39Å; F52-F56 PolarHBondContact O-N 2.83Å |
| 53 | G | 95.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 86.2 Ų | 86.2 | 28% | 0.278 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E49 D50 I51 F56 N57 | E49-G53 PolarHBondContact O-N 2.93Å; D50-G53 PolarHBondContact O-N 3.35Å; I51-G53 VanDerWaalsContact C-N 3.3Å; I51-G53 PolarHBondContact O-N 3.06Å; G53-F56 PolarHBondContact O-N 2.86Å; G53-N57 WeakPolarHBondContact O-CB 3.42Å; G53-N57 VanDerWaalsContact O-CG 3.3Å; G53-N57 PolarHBondContact O-N 3.4Å; G53-N57 PolarHBondContact O-ND2 3.02Å |
| 54 | E | 93.7 | Very high | 96.1 | Very high | 80 Ų | 80 | 89.7 Ų | 89.7 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -55.6 | -52.2 | 172.7 | -78.3 | 166.8 | -161.3 | 0 | 0 | 110.6 | R6 D50 I51 N57 E58 | R6-E54 IonicContact CZ-OE1 2.83Å; R6-E54 IonicContact CZ-OE2 2.7Å; R6-E54 IonicContact NH1-OE1 2.78Å; R6-E54 PolarHBondContact NH1-OE1 3.39Å; R6-E54 IonicContact NH1-OE2 3.67Å; R6-E54 PolarHBondContact NH1-OE2 3.12Å; R6-E54 IonicContact NH2-OE1 2.76Å; R6-E54 PolarHBondContact NH2-OE1 3.45Å; R6-E54 IonicContact NH2-OE2 3.66Å; D50-E54 WeakPolarHBondContact O-CB 3.47Å; D50-E54 WeakPolarHBondContact O-CG 3.5Å; D50-E54 PolarHBondContact O-N 2.78Å; I51-E54 PolarHBondContact O-N 2.98Å; E54-N57 PolarHBondContact O-N 2.94Å; E54-E58 PolarHBondContact O-N 3.08Å; E54-E58 VanDerWaalsContact O-N 3.12Å |
| 55 | L | 96.9 | Very high | 96.2 | Very high | 102 Ų | 102 | 94.4 Ų | 94.4 | 53% | 0.534 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 179.5 | -68.9 | 171.1 | 0 | 0 | 0 | 113.1 | I51 E58 A59 | I51-L55 HydrophobicContact CG2-CD1 4.07Å; I51-L55 WeakPolarHBondContact O-CG 3.3Å; I51-L55 PolarHBondContact O-N 3.4Å; L55-E58 PolarHBondContact O-N 3.44Å; L55-A59 VanDerWaalsContact O-CB 3.3Å; L55-A59 WeakPolarHBondContact O-CB 3.46Å; L55-A59 PolarHBondContact O-N 2.83Å |
| 56 | F | 98.1 | Very high | 96.3 | Very high | 135 Ų | 135 | 92.4 Ų | 92.4 | 59% | 0.592 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 177.4 | 172.6 | -95.5 | 0 | 0 | 0 | 111.4 | F52 G53 E58 A59 N60 | F52-F56 WeakPolarHBondContact O-CB 3.39Å; F52-F56 PolarHBondContact O-N 2.83Å; G53-F56 PolarHBondContact O-N 2.86Å; F56-E58 PolarHBondContact O-N 2.92Å; F56-A59 PolarHBondContact O-N 2.89Å; F56-N60 VanDerWaalsContact O-CB 3.23Å; F56-N60 WeakPolarHBondContact O-CB 3.14Å; F56-N60 PolarHBondContact O-N 3.07Å |
| 57 | N | 97 | Very high | 96.6 | Very high | 90 Ų | 90 | 91 Ų | 91 | 48% | 0.481 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 178.6 | -76.4 | -48.2 | 0 | 0 | 0 | 111.7 | G53 E54 N61 | G53-N57 WeakPolarHBondContact O-CB 3.42Å; G53-N57 VanDerWaalsContact O-CG 3.3Å; G53-N57 PolarHBondContact O-N 3.4Å; G53-N57 PolarHBondContact O-ND2 3.02Å; E54-N57 PolarHBondContact O-N 2.94Å; N57-N61 WeakPolarHBondContact O-CB 3.46Å; N57-N61 PolarHBondContact O-N 3.42Å; N57-N61 PolarHBondContact O-ND2 3.2Å |
| 58 | E | 97.3 | Very high | 96.9 | Very high | 144 Ų | 144 | 93 Ų | 93 | 67% | 0.673 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.6 | -46.3 | 175.7 | -172.1 | 169.5 | -165.5 | 0 | 0 | 111.8 | E54 L55 F56 N60 N61 F62 | E54-E58 PolarHBondContact O-N 3.08Å; E54-E58 VanDerWaalsContact O-N 3.12Å; L55-E58 PolarHBondContact O-N 3.44Å; F56-E58 PolarHBondContact O-N 2.92Å; E58-N60 VanDerWaalsContact C-N 3.35Å; E58-N60 PolarHBondContact O-N 3.14Å; E58-N61 PolarHBondContact O-N 3.37Å; E58-F62 PolarHBondContact O-N 3.1Å |
| 59 | A | 98.4 | Very high | 97.1 | Very high | 59 Ų | 59 | 95.8 Ų | 95.8 | 49% | 0.488 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L55 F56 F62 Y63 | L55-A59 VanDerWaalsContact O-CB 3.3Å; L55-A59 WeakPolarHBondContact O-CB 3.46Å; L55-A59 PolarHBondContact O-N 2.83Å; F56-A59 PolarHBondContact O-N 2.89Å; A59-F62 WeakPolarHBondContact O-CB 3.47Å; A59-F62 PolarHBondContact O-N 3.23Å; A59-Y63 WeakPolarHBondContact O-CB 3.33Å; A59-Y63 PolarHBondContact O-N 2.96Å |
| 60 | N | 98.4 | Very high | 97.3 | Very high | 60 Ų | 60 | 93.5 Ų | 93.5 | 32% | 0.321 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 176.2 | -177.7 | 57.5 | 0 | 0 | 0 | 112 | F56 E58 F62 Y63 I64 | F56-N60 VanDerWaalsContact O-CB 3.23Å; F56-N60 WeakPolarHBondContact O-CB 3.14Å; F56-N60 PolarHBondContact O-N 3.07Å; E58-N60 VanDerWaalsContact C-N 3.35Å; E58-N60 PolarHBondContact O-N 3.14Å; N60-F62 VanDerWaalsContact C-N 3.31Å; N60-F62 PolarHBondContact O-N 2.8Å; N60-Y63 PolarHBondContact O-N 3.49Å; N60-I64 WeakPolarHBondContact O-CG1 3.45Å; N60-I64 PolarHBondContact O-N 3.34Å |
| 61 | N | 98.4 | Very high | 97.6 | Very high | 96 Ų | 96 | 95.6 Ų | 95.6 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 172.6 | -82 | -66.3 | 0 | 0 | 0 | 111.9 | N57 E58 R65 | N57-N61 WeakPolarHBondContact O-CB 3.46Å; N57-N61 PolarHBondContact O-N 3.42Å; N57-N61 PolarHBondContact O-ND2 3.2Å; E58-N61 PolarHBondContact O-N 3.37Å; N61-R65 VanDerWaalsContact O-CG 3.28Å; N61-R65 WeakPolarHBondContact O-CG 3.09Å; N61-R65 PolarHBondContact O-N 2.92Å |
| 62 | F | 98.4 | Very high | 97.9 | Very high | 146 Ų | 146 | 100.1 Ų | 100.1 | 64% | 0.64 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.4 | -46.5 | 172.4 | 177.1 | -97.4 | 0 | 0 | 0 | 111.9 | E58 A59 N60 I64 R65 A66 | E58-F62 PolarHBondContact O-N 3.1Å; A59-F62 WeakPolarHBondContact O-CB 3.47Å; A59-F62 PolarHBondContact O-N 3.23Å; N60-F62 VanDerWaalsContact C-N 3.31Å; N60-F62 PolarHBondContact O-N 2.8Å; F62-I64 PolarHBondContact O-N 3.25Å; F62-R65 PolarHBondContact O-N 3.06Å; F62-A66 HydrophobicContact CE1-CB 4.43Å; F62-A66 WeakPolarHBondContact O-CB 3.34Å; F62-A66 PolarHBondContact O-N 3.41Å |
| 63 | Y | 98.4 | Very high | 97.9 | Very high | 140 Ų | 140 | 97.3 Ų | 97.3 | 55% | 0.549 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 178.1 | 171.9 | -108.9 | 0 | 0 | 0 | 112.7 | A59 N60 R65 A66 N67 | A59-Y63 WeakPolarHBondContact O-CB 3.33Å; A59-Y63 PolarHBondContact O-N 2.96Å; N60-Y63 PolarHBondContact O-N 3.49Å; Y63-R65 VanDerWaalsContact C-N 3.32Å; Y63-R65 PolarHBondContact O-N 2.87Å; Y63-A66 PolarHBondContact O-N 2.95Å; Y63-N67 VanDerWaalsContact CE1-ND2 3.3Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.3Å; Y63-N67 WeakPolarHBondContact CE2-ND2 3.29Å; Y63-N67 PolarHBondContact O-N 3.49Å; Y63-N67 PolarHBondContact O-ND2 2.85Å; Y63-N67 PolarHBondContact OH-ND2 3.23Å |
| 64 | I | 98.6 | Very high | 98.1 | Very high | 95 Ų | 95 | 99.8 Ų | 99.8 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -44 | 176.8 | -67 | 165 | 0 | 0 | 0 | 110.9 | N60 F62 S68 | N60-I64 WeakPolarHBondContact O-CG1 3.45Å; N60-I64 PolarHBondContact O-N 3.34Å; F62-I64 PolarHBondContact O-N 3.25Å; I64-S68 WeakPolarHBondContact O-CB 3.3Å; I64-S68 PolarHBondContact O-N 2.86Å; I64-S68 VanDerWaalsContact O-N 3.08Å |
| 65 | R | 98.5 | Very high | 98.3 | Very high | 188 Ų | 188 | 102.9 Ų | 102.9 | 71% | 0.709 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.8 | -39.3 | 176.9 | -72.2 | 171.1 | 60.9 | -169.3 | -2 | 112.4 | N61 F62 Y63 L69 | N61-R65 VanDerWaalsContact O-CG 3.28Å; N61-R65 WeakPolarHBondContact O-CG 3.09Å; N61-R65 PolarHBondContact O-N 2.92Å; F62-R65 PolarHBondContact O-N 3.06Å; Y63-R65 VanDerWaalsContact C-N 3.32Å; Y63-R65 PolarHBondContact O-N 2.87Å; R65-L69 WeakPolarHBondContact O-CB 3.07Å; R65-L69 PolarHBondContact O-N 3.37Å |
| 66 | A | 98.7 | Very high | 98.3 | Very high | 37 Ų | 37 | 102.9 Ų | 102.9 | 31% | 0.306 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F62 Y63 L69 Q70 | F62-A66 HydrophobicContact CE1-CB 4.43Å; F62-A66 WeakPolarHBondContact O-CB 3.34Å; F62-A66 PolarHBondContact O-N 3.41Å; Y63-A66 PolarHBondContact O-N 2.95Å; A66-L69 WeakPolarHBondContact O-CB 3.13Å; A66-L69 PolarHBondContact O-N 3.26Å; A66-Q70 PolarHBondContact O-N 3.21Å |
| 67 | N | 98.6 | Very high | 98.3 | Very high | 65 Ų | 65 | 98.8 Ų | 98.8 | 35% | 0.348 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 175.9 | -63.8 | -30.2 | 0 | 0 | 0 | 111.8 | Y63 L69 Q70 D71 | Y63-N67 VanDerWaalsContact CE1-ND2 3.3Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.3Å; Y63-N67 WeakPolarHBondContact CE2-ND2 3.29Å; Y63-N67 PolarHBondContact O-N 3.49Å; Y63-N67 PolarHBondContact O-ND2 2.85Å; Y63-N67 PolarHBondContact OH-ND2 3.23Å; N67-L69 PolarHBondContact O-N 3.1Å; N67-Q70 PolarHBondContact O-N 2.85Å; N67-Q70 VanDerWaalsContact O-N 3.14Å; N67-D71 WeakPolarHBondContact O-CB 3.33Å; N67-D71 PolarHBondContact O-N 3.48Å |
| 68 | S | 98.7 | Very high | 98.3 | Very high | 66 Ų | 66 | 98.3 Ų | 98.3 | 46% | 0.462 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.8 | -32.2 | 176.3 | -174.5 | 0 | 0 | 0 | 0 | 112.6 | I64 R72 | I64-S68 WeakPolarHBondContact O-CB 3.3Å; I64-S68 PolarHBondContact O-N 2.86Å; I64-S68 VanDerWaalsContact O-N 3.08Å; S68-R72 WeakPolarHBondContact O-CD 3.46Å; S68-R72 WeakPolarHBondContact O-CG 3.27Å; S68-R72 PolarHBondContact O-N 3.07Å |
| 69 | L | 98.6 | Very high | 98.3 | Very high | 92 Ų | 92 | 98.2 Ų | 98.2 | 48% | 0.482 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.2 | -42.7 | 173.2 | -178.3 | 60.2 | 0 | 0 | 0 | 112 | R65 A66 N67 R72 I73 | R65-L69 WeakPolarHBondContact O-CB 3.07Å; R65-L69 PolarHBondContact O-N 3.37Å; A66-L69 WeakPolarHBondContact O-CB 3.13Å; A66-L69 PolarHBondContact O-N 3.26Å; N67-L69 PolarHBondContact O-N 3.1Å; L69-R72 WeakPolarHBondContact O-CB 3.46Å; L69-R72 PolarHBondContact O-N 3.35Å; L69-R72 VanDerWaalsContact O-N 3.12Å; L69-I73 HydrophobicContact CD1-CD1 4.33Å; L69-I73 HydrophobicContact CD1-CG1 4.44Å; L69-I73 HydrophobicContact CG-CD1 3.94Å; L69-I73 HydrophobicContact CG-CG1 4.49Å; L69-I73 WeakPolarHBondContact O-CG1 3.42Å; L69-I73 PolarHBondContact O-N 3.12Å |
| 70 | Q | 98.5 | Very high | 98.2 | Very high | 95 Ų | 95 | 99.7 Ų | 99.7 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.2 | -51.8 | 177.8 | -173.6 | 59.9 | 52.1 | 0 | 0 | 111.2 | A66 N67 R72 I73 D74 | A66-Q70 PolarHBondContact O-N 3.21Å; N67-Q70 PolarHBondContact O-N 2.85Å; N67-Q70 VanDerWaalsContact O-N 3.14Å; Q70-R72 PolarHBondContact O-N 3.01Å; Q70-R72 VanDerWaalsContact O-N 3.09Å; Q70-I73 CarbonylContact O-C 3.57Å; Q70-I73 WeakPolarHBondContact O-CA 3.44Å; Q70-I73 WeakPolarHBondContact O-CB 3.31Å; Q70-I73 PolarHBondContact O-N 3.03Å; Q70-D74 PolarHBondContact NE2-OD1 3.44Å; Q70-D74 VanDerWaalsContact O-CG 3.31Å; Q70-D74 PolarHBondContact O-N 3.47Å |
| 71 | D | 98.5 | Very high | 98 | Very high | 80 Ų | 80 | 102.7 Ų | 102.7 | 43% | 0.428 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -52 | -35.4 | 174.1 | -86.2 | 11.6 | 0 | 0 | 0 | 113.3 | N67 R75 | N67-D71 WeakPolarHBondContact O-CB 3.33Å; N67-D71 PolarHBondContact O-N 3.48Å; D71-R75 WeakPolarHBondContact O-CB 3.36Å; D71-R75 WeakPolarHBondContact O-CG 3.42Å; D71-R75 PolarHBondContact O-N 2.87Å; D71-R75 PolarHBondContact O-NE 3.18Å; D71-R75 IonicContact OD2-NH1 3.49Å; D71-R75 IonicContact OD2-NH2 2.91Å |
| 72 | R | 98.5 | Very high | 97.8 | Very high | 163 Ų | 163 | 105.3 Ų | 105.3 | 62% | 0.615 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -76.5 | -36.5 | 176.8 | -74.4 | 171.7 | 63.8 | -164.7 | -1.6 | 112 | S68 L69 Q70 L76 | S68-R72 WeakPolarHBondContact O-CD 3.46Å; S68-R72 WeakPolarHBondContact O-CG 3.27Å; S68-R72 PolarHBondContact O-N 3.07Å; L69-R72 WeakPolarHBondContact O-CB 3.46Å; L69-R72 PolarHBondContact O-N 3.35Å; L69-R72 VanDerWaalsContact O-N 3.12Å; Q70-R72 PolarHBondContact O-N 3.01Å; Q70-R72 VanDerWaalsContact O-N 3.09Å; R72-L76 WeakPolarHBondContact O-CB 3.35Å; R72-L76 PolarHBondContact O-N 3.49Å |
| 73 | I | 98.6 | Very high | 97.5 | Very high | 83 Ų | 83 | 103.1 Ų | 103.1 | 43% | 0.426 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 174.2 | -71.1 | 165.7 | 0 | 0 | 0 | 109.6 | L69 Q70 R75 L76 A77 | L69-I73 HydrophobicContact CD1-CD1 4.33Å; L69-I73 HydrophobicContact CD1-CG1 4.44Å; L69-I73 HydrophobicContact CG-CD1 3.94Å; L69-I73 HydrophobicContact CG-CG1 4.49Å; L69-I73 WeakPolarHBondContact O-CG1 3.42Å; L69-I73 PolarHBondContact O-N 3.12Å; Q70-I73 CarbonylContact O-C 3.57Å; Q70-I73 WeakPolarHBondContact O-CA 3.44Å; Q70-I73 WeakPolarHBondContact O-CB 3.31Å; Q70-I73 PolarHBondContact O-N 3.03Å; I73-R75 PolarHBondContact O-N 3.03Å; I73-L76 CarbonylContact O-C 3.59Å; I73-L76 WeakPolarHBondContact O-CB 3.47Å; I73-L76 PolarHBondContact O-N 3.36Å; I73-L76 VanDerWaalsContact O-N 3.07Å; I73-A77 WeakPolarHBondContact O-CB 3.38Å; I73-A77 PolarHBondContact O-N 2.89Å |
| 74 | D | 98.4 | Very high | 97.2 | Very high | 80 Ų | 80 | 100.4 Ų | 100.4 | 43% | 0.428 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | -178.9 | -60.4 | -23.3 | 0 | 0 | 0 | 111.3 | Q70 L76 A77 V78 | Q70-D74 PolarHBondContact NE2-OD1 3.44Å; Q70-D74 VanDerWaalsContact O-CG 3.31Å; Q70-D74 PolarHBondContact O-N 3.47Å; D74-L76 VanDerWaalsContact C-N 3.3Å; D74-L76 PolarHBondContact O-N 3.16Å; D74-A77 PolarHBondContact O-N 3.19Å; D74-V78 PolarHBondContact O-N 3.05Å |
| 75 | R | 98.1 | Very high | 96.4 | Very high | 144 Ų | 144 | 100.9 Ų | 100.9 | 54% | 0.543 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.7 | -29.8 | 174.4 | -72.5 | -173.7 | -72.1 | -95.2 | 9.1 | 113.3 | D71 I73 K79 | D71-R75 WeakPolarHBondContact O-CB 3.36Å; D71-R75 WeakPolarHBondContact O-CG 3.42Å; D71-R75 PolarHBondContact O-N 2.87Å; D71-R75 PolarHBondContact O-NE 3.18Å; D71-R75 IonicContact OD2-NH1 3.49Å; D71-R75 IonicContact OD2-NH2 2.91Å; I73-R75 PolarHBondContact O-N 3.03Å; R75-K79 WeakPolarHBondContact O-CG 3.48Å |
| 76 | L | 98.2 | Very high | 95.8 | Very high | 102 Ų | 102 | 97.8 Ų | 97.8 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -75.7 | -41.5 | 175.6 | -179.5 | 61.2 | 0 | 0 | 0 | 111.2 | R72 I73 D74 V78 K79 V80 | R72-L76 WeakPolarHBondContact O-CB 3.35Å; R72-L76 PolarHBondContact O-N 3.49Å; I73-L76 CarbonylContact O-C 3.59Å; I73-L76 WeakPolarHBondContact O-CB 3.47Å; I73-L76 PolarHBondContact O-N 3.36Å; I73-L76 VanDerWaalsContact O-N 3.07Å; D74-L76 VanDerWaalsContact C-N 3.3Å; D74-L76 PolarHBondContact O-N 3.16Å; L76-V78 PolarHBondContact O-N 2.92Å; L76-K79 PolarHBondContact O-N 2.92Å; L76-K79 VanDerWaalsContact O-N 3.11Å; L76-V80 HydrophobicContact CD1-CG2 4.11Å; L76-V80 HydrophobicContact CG-CG2 4.23Å; L76-V80 WeakPolarHBondContact O-CG2 3.23Å; L76-V80 PolarHBondContact O-N 2.98Å |
| 77 | A | 98 | Very high | 95.1 | Very high | 50 Ų | 50 | 101.1 Ų | 101.1 | 41% | 0.413 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57 | -48.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | I73 D74 K79 V80 T81 | I73-A77 WeakPolarHBondContact O-CB 3.38Å; I73-A77 PolarHBondContact O-N 2.89Å; D74-A77 PolarHBondContact O-N 3.19Å; A77-K79 VanDerWaalsContact C-N 3.31Å; A77-K79 PolarHBondContact O-N 3.25Å; A77-V80 PolarHBondContact O-N 3.09Å; A77-V80 VanDerWaalsContact O-N 3.17Å; A77-T81 PolarHBondContact O-N 2.99Å; A77-T81 PolarHBondContact O-OG1 3.42Å; A77-T81 VanDerWaalsContact O-OG1 3.08Å |
| 78 | V | 97.4 | Very high | 94.3 | Very high | 80 Ų | 80 | 104.1 Ų | 104.1 | 49% | 0.485 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -56.2 | -44.2 | 175 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | D74 L76 T81 Q82 | D74-V78 PolarHBondContact O-N 3.05Å; L76-V78 PolarHBondContact O-N 2.92Å; V78-T81 PolarHBondContact O-N 3.09Å; V78-Q82 WeakPolarHBondContact O-CB 3.29Å; V78-Q82 VanDerWaalsContact O-CG 3.27Å; V78-Q82 WeakPolarHBondContact O-CG 3.37Å; V78-Q82 PolarHBondContact O-N 3.27Å; V78-Q82 VanDerWaalsContact O-N 3.08Å |
| 79 | K | 96.1 | Very high | 93.6 | Very high | 141 Ų | 141 | 109.6 Ų | 109.6 | 61% | 0.613 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.1 | -40.2 | 177.8 | -71.5 | -179 | 177.4 | -167.2 | 0 | 112.7 | R75 L76 A77 T81 Q82 L83 | R75-K79 WeakPolarHBondContact O-CG 3.48Å; L76-K79 PolarHBondContact O-N 2.92Å; L76-K79 VanDerWaalsContact O-N 3.11Å; A77-K79 VanDerWaalsContact C-N 3.31Å; A77-K79 PolarHBondContact O-N 3.25Å; K79-T81 VanDerWaalsContact C-N 3.35Å; K79-Q82 PolarHBondContact O-N 3.36Å; K79-L83 PolarHBondContact O-N 3.12Å; K79-L83 VanDerWaalsContact O-N 3.16Å |
| 80 | V | 96.3 | Very high | 92.8 | Very high | 90 Ų | 90 | 111.7 Ų | 111.7 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.3 | -36.1 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | L76 A77 Q82 | L76-V80 HydrophobicContact CD1-CG2 4.11Å; L76-V80 HydrophobicContact CG-CG2 4.23Å; L76-V80 WeakPolarHBondContact O-CG2 3.23Å; L76-V80 PolarHBondContact O-N 2.98Å; A77-V80 PolarHBondContact O-N 3.09Å; A77-V80 VanDerWaalsContact O-N 3.17Å; V80-Q82 VanDerWaalsContact C-N 3.34Å |
| 81 | T | 95.2 | Very high | 92.1 | Very high | 124 Ų | 124 | 109.3 Ų | 109.3 | 76% | 0.761 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74.3 | -23.3 | 174.5 | -51.2 | 0 | 0 | 0 | 0 | 113.2 | A77 V78 K79 | A77-T81 PolarHBondContact O-N 2.99Å; A77-T81 PolarHBondContact O-OG1 3.42Å; A77-T81 VanDerWaalsContact O-OG1 3.08Å; V78-T81 PolarHBondContact O-N 3.09Å; K79-T81 VanDerWaalsContact C-N 3.35Å |
| 82 | Q | 93.7 | Very high | 91.3 | Very high | 150 Ų | 150 | 111.7 Ų | 111.7 | 70% | 0.701 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -2.9 | 177.7 | -71.6 | 175.6 | 1.5 | 0 | 0 | 114.1 | V78 K79 V80 D84 | V78-Q82 WeakPolarHBondContact O-CB 3.29Å; V78-Q82 VanDerWaalsContact O-CG 3.27Å; V78-Q82 WeakPolarHBondContact O-CG 3.37Å; V78-Q82 PolarHBondContact O-N 3.27Å; V78-Q82 VanDerWaalsContact O-N 3.08Å; K79-Q82 PolarHBondContact O-N 3.36Å; V80-Q82 VanDerWaalsContact C-N 3.34Å; Q82-D84 PolarHBondContact O-N 2.87Å |
| 83 | L | 92.2 | Very high | 90.7 | Very high | 100 Ų | 100 | 110.4 Ų | 110.4 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | trans | -74.6 | 118.5 | 179.2 | -96.7 | 157.5 | 0 | 0 | 0 | 110.9 | K79 E88 | K79-L83 PolarHBondContact O-N 3.12Å; K79-L83 VanDerWaalsContact O-N 3.16Å; L83-E88 WeakPolarHBondContact CD2-OE2 3.35Å | ||
| 84 | D | 90.9 | Very high | 90.1 | Very high | 83 Ų | 83 | 109.3 Ų | 109.3 | 44% | 0.444 | 59% | 0.588 | S | S | . | * | trans | -104 | 99.9 | 174.5 | -172.9 | -15.2 | 0 | 0 | 0 | 110.4 | Q82 T86 V87 E88 | Q82-D84 PolarHBondContact O-N 2.87Å; D84-T86 PolarHBondContact O-N 3.44Å; D84-T86 VanDerWaalsContact O-N 3.16Å; D84-T86 WeakPolarHBondContact OD1-CB 3.41Å; D84-T86 PolarHBondContact OD1-N 3.33Å; D84-T86 PolarHBondContact OD1-OG1 2.91Å; D84-V87 HydrophobicContact CB-CB 4.49Å; D84-V87 HydrophobicContact CB-CG2 4.48Å; D84-V87 PolarHBondContact O-N 2.7Å; D84-V87 VanDerWaalsContact O-N 3.14Å; D84-E88 PolarHBondContact O-N 3.29Å; D84-E88 VanDerWaalsContact O-N 3.12Å | ||
| 85 | S | 82.8 | Confident | 89.3 | Confident | 106 Ų | 106 | 111.4 Ų | 111.4 | 74% | 0.741 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -5.5 | 179.5 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 86 | T | 84.7 | Confident | 88.7 | Confident | 123 Ų | 123 | 111.5 Ų | 111.5 | 76% | 0.755 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -15.5 | 173.1 | 72.4 | 0 | 0 | 0 | 0 | 112.8 | D84 | D84-T86 PolarHBondContact O-N 3.44Å; D84-T86 VanDerWaalsContact O-N 3.16Å; D84-T86 WeakPolarHBondContact OD1-CB 3.41Å; D84-T86 PolarHBondContact OD1-N 3.33Å; D84-T86 PolarHBondContact OD1-OG1 2.91Å |
| 87 | V | 85.3 | Confident | 88.3 | Confident | 106 Ų | 106 | 114 Ų | 114 | 64% | 0.642 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -22.9 | -179.7 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | D84 E89 | D84-V87 HydrophobicContact CB-CB 4.49Å; D84-V87 HydrophobicContact CB-CG2 4.48Å; D84-V87 PolarHBondContact O-N 2.7Å; D84-V87 VanDerWaalsContact O-N 3.14Å; V87-E89 PolarHBondContact O-N 2.95Å; V87-E89 VanDerWaalsContact O-N 3.12Å |
| 88 | E | 81.5 | Confident | 88 | Confident | 128 Ų | 128 | 117.8 Ų | 117.8 | 60% | 0.598 | 63% | 0.627 | S | S | * | * | trans | -74.8 | 98.2 | 179.9 | -169.5 | 174 | -159.2 | 0 | 0 | 112.8 | L83 D84 | L83-E88 WeakPolarHBondContact CD2-OE2 3.35Å; D84-E88 PolarHBondContact O-N 3.29Å; D84-E88 VanDerWaalsContact O-N 3.12Å | ||
| 89 | E | 84.1 | Confident | 87.8 | Confident | 182 Ų | 182 | 123.9 Ų | 123.9 | 85% | 0.85 | 65% | 0.647 | S | S | * | * | trans | -77.4 | 131.5 | 174.9 | -66.1 | -173.9 | 177.2 | 0 | 0 | 112.8 | V87 S91 | V87-E89 PolarHBondContact O-N 2.95Å; V87-E89 VanDerWaalsContact O-N 3.12Å; E89-S91 PolarHBondContact O-N 3.09Å | ||
| 90 | V | 81.4 | Confident | 87.6 | Confident | 136 Ų | 136 | 121.3 Ų | 121.3 | 82% | 0.824 | 65% | 0.652 | S | S | * | * | trans | -79.4 | 101.9 | 177.7 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | L92 | V90-L92 PolarHBondContact O-N 3.44Š| ||
| 91 | S | 83.4 | Confident | 87.5 | Confident | 45 Ų | 45 | 126 Ų | 126 | 32% | 0.315 | 67% | 0.666 | S | S | . | * | trans | -75.2 | 117.7 | 178.9 | -178.9 | 0 | 0 | 0 | 0 | 113.1 | E89 Q93 D94 | E89-S91 PolarHBondContact O-N 3.09Å; S91-Q93 PolarHBondContact O-N 3.12Å; S91-Q93 WeakPolarHBondContact OG-CB 3.39Å; S91-Q93 PolarHBondContact OG-N 3.3Å; S91-D94 WeakPolarHBondContact O-CB 3.24Å; S91-D94 PolarHBondContact O-N 3.37Å | ||
| 92 | L | 83.4 | Confident | 87.6 | Confident | 130 Ų | 130 | 128.9 Ų | 128.9 | 68% | 0.681 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -17.3 | 170.6 | -63.4 | 177.2 | 0 | 0 | 0 | 113.2 | V90 D94 I95 | V90-L92 PolarHBondContact O-N 3.44Å; L92-D94 VanDerWaalsContact C-N 3.26Å; L92-D94 PolarHBondContact O-N 3.18Å; L92-I95 HydrophobicContact CD2-CD1 3.76Å; L92-I95 PolarHBondContact O-N 2.69Å |
| 93 | Q | 84 | Confident | 87.7 | Confident | 136 Ų | 136 | 125.7 Ų | 125.7 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.8 | -31.7 | 175.9 | -59.8 | 178.9 | -7.1 | 0 | 0 | 111.1 | S91 I95 N96 M97 | S91-Q93 PolarHBondContact O-N 3.12Å; S91-Q93 WeakPolarHBondContact OG-CB 3.39Å; S91-Q93 PolarHBondContact OG-N 3.3Å; Q93-I95 PolarHBondContact O-N 3.33Å; Q93-N96 PolarHBondContact O-N 3.25Å; Q93-M97 HydrophobicContact CB-SD 4.42Å; Q93-M97 WeakPolarHBondContact O-CB 3.21Å; Q93-M97 WeakPolarHBondContact O-CG 3.45Å; Q93-M97 PolarHBondContact O-N 3.25Å |
| 94 | D | 86.2 | Confident | 87.9 | Confident | 60 Ų | 60 | 125.8 Ų | 125.8 | 32% | 0.321 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -60.4 | -32.8 | 179.2 | -74.5 | -6.7 | 0 | 0 | 0 | 112.7 | S91 L92 N96 K98 | S91-D94 WeakPolarHBondContact O-CB 3.24Å; S91-D94 PolarHBondContact O-N 3.37Å; L92-D94 VanDerWaalsContact C-N 3.26Å; L92-D94 PolarHBondContact O-N 3.18Å; D94-N96 PolarHBondContact O-N 2.71Å; D94-K98 HydrophobicContact CB-CD 3.93Å; D94-K98 HydrophobicContact CB-CG 4.3Å; D94-K98 VanDerWaalsContact CG-CD 3.47Å; D94-K98 VanDerWaalsContact CG-CE 3.46Å; D94-K98 WeakPolarHBondContact O-CA 3.43Å; D94-K98 WeakPolarHBondContact O-CB 3.48Å; D94-K98 PolarHBondContact O-N 3.19Å; D94-K98 WeakPolarHBondContact OD1-CD 3.43Å; D94-K98 WeakPolarHBondContact OD1-CE 3.27Å; D94-K98 IonicContact OD1-NZ 2.67Å; D94-K98 PolarHBondContact OD1-NZ 3.42Å; D94-K98 IonicContact OD2-NZ 2.82Å; D94-K98 PolarHBondContact OD2-NZ 2.86Å |
| 95 | I | 81.9 | Confident | 88.1 | Confident | 124 Ų | 124 | 127.4 Ų | 127.4 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -61.2 | -35.3 | -179.2 | -57.9 | 175.2 | 0 | 0 | 0 | 111.3 | L92 Q93 | L92-I95 HydrophobicContact CD2-CD1 3.76Å; L92-I95 PolarHBondContact O-N 2.69Å; Q93-I95 PolarHBondContact O-N 3.33Å |
| 96 | N | 86.4 | Confident | 88.7 | Confident | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -101.8 | -28.5 | -178.3 | -67.3 | -62.4 | 0 | 0 | 0 | 113.2 | Q93 D94 | Q93-N96 PolarHBondContact O-N 3.25Å; D94-N96 PolarHBondContact O-N 2.71Å |
| 97 | M | 90.3 | Very high | 89.2 | Confident | 154 Ų | 154 | 127.1 Ų | 127.1 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -99.7 | -24.5 | -173.8 | -61.1 | -170.3 | 73.2 | 0 | 0 | 114.3 | Q93 | Q93-M97 HydrophobicContact CB-SD 4.42Å; Q93-M97 WeakPolarHBondContact O-CB 3.21Å; Q93-M97 WeakPolarHBondContact O-CG 3.45Å; Q93-M97 PolarHBondContact O-N 3.25Å |
| 98 | K | 90.1 | Very high | 89.5 | Confident | 130 Ų | 130 | 129.1 Ų | 129.1 | 57% | 0.565 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -99 | 137.3 | 175.7 | -64.8 | -178.6 | -177.9 | 156 | 0 | 110.2 | D94 A100 | D94-K98 HydrophobicContact CB-CD 3.93Å; D94-K98 HydrophobicContact CB-CG 4.3Å; D94-K98 VanDerWaalsContact CG-CD 3.47Å; D94-K98 VanDerWaalsContact CG-CE 3.46Å; D94-K98 WeakPolarHBondContact O-CA 3.43Å; D94-K98 WeakPolarHBondContact O-CB 3.48Å; D94-K98 PolarHBondContact O-N 3.19Å; D94-K98 WeakPolarHBondContact OD1-CD 3.43Å; D94-K98 WeakPolarHBondContact OD1-CE 3.27Å; D94-K98 IonicContact OD1-NZ 2.67Å; D94-K98 PolarHBondContact OD1-NZ 3.42Å; D94-K98 IonicContact OD2-NZ 2.82Å; D94-K98 PolarHBondContact OD2-NZ 2.86Å; K98-A100 PolarHBondContact O-N 2.92Å |
| 99 | K | 93.7 | Very high | 90 | Very high | 207 Ų | 207 | 128.9 Ų | 128.9 | 90% | 0.9 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 132.4 | 171.6 | -68.1 | 177.8 | -179.3 | 174.3 | 0 | 109 | ||
| 100 | A | 92.3 | Very high | 90.3 | Very high | 87 Ų | 87 | 127.9 Ų | 127.9 | 72% | 0.719 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 146.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K98 | K98-A100 PolarHBondContact O-N 2.92Š|
| 101 | F | 95.1 | Very high | 90.7 | Very high | 188 Ų | 188 | 126.4 Ų | 126.4 | 83% | 0.825 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 139.9 | 175 | 172.2 | -99.7 | 0 | 0 | 0 | 111.2 | ||
| 102 | K | 96.6 | Very high | 91 | Very high | 186 Ų | 186 | 131 Ų | 131 | 81% | 0.809 | 69% | 0.688 | S | S | * | * | trans | -126.7 | 128.5 | 171.6 | -65 | -167 | 177.2 | -170.7 | 0 | 109.7 | ||||
| 103 | S | 96.3 | Very high | 91.3 | Very high | 82 Ų | 82 | 126.4 Ų | 126.4 | 57% | 0.573 | 67% | 0.667 | S | S | * | * | trans | -71.2 | 162.9 | 166.9 | 49 | 0 | 0 | 0 | 0 | 110.9 | T105 | S103-T105 PolarHBondContact O-N 3.03Š| ||
| 104 | S | 95.8 | Very high | 91.6 | Very high | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 67% | 0.672 | S | S | * | * | trans | -65.9 | 132.6 | 169.3 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | V106 | S104-V106 WeakPolarHBondContact OG-CG2 3.33Š| ||
| 105 | T | 95.8 | Very high | 91.8 | Very high | 118 Ų | 118 | 132 Ų | 132 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | trans | -120.2 | 25.5 | 174.4 | 65.1 | 0 | 0 | 0 | 0 | 111.5 | S103 | S103-T105 PolarHBondContact O-N 3.03Š| ||
| 106 | V | 95.2 | Very high | 92.2 | Very high | 120 Ų | 120 | 128.8 Ų | 128.8 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | trans | -63 | 137.1 | 175.7 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | S104 | S104-V106 WeakPolarHBondContact OG-CG2 3.33Š| ||
| 107 | Q | 94.4 | Very high | 92.4 | Very high | 103 Ų | 103 | 125.1 Ų | 125.1 | 48% | 0.481 | 66% | 0.662 | S | S | . | * | trans | -132.2 | 129.8 | 178.2 | -71.7 | 177.3 | -18.8 | 0 | 0 | 109 | N472 | Q107-N472 VanDerWaalsContact CD-ND2 3.27Å; Q107-N472 PolarHBondContact NE2-ND2 3.37Å; Q107-N472 VanDerWaalsContact NE2-ND2 3.14Å; Q107-N472 VanDerWaalsContact OE1-CB 3.28Å; Q107-N472 PolarHBondContact OE1-ND2 2.76Å | ||
| 108 | D | 92.3 | Very high | 92.3 | Very high | 147 Ų | 147 | 119.9 Ų | 119.9 | 79% | 0.786 | 64% | 0.639 | S | S | * | * | trans | -73.7 | 129.3 | 178.1 | -61.1 | -31 | 0 | 0 | 0 | 110 | ||||
| 109 | Q | 92.1 | Very high | 92.2 | Very high | 124 Ų | 124 | 118.7 Ų | 118.7 | 58% | 0.579 | 64% | 0.639 | S | S | * | * | trans | -136.6 | 164.6 | -177.7 | -61.2 | -175.5 | 17.1 | 0 | 0 | 109.4 | V111 | Q109-V111 VanDerWaalsContact C-N 3.25Å; Q109-V111 PolarHBondContact O-N 2.67Å | ||
| 110 | Q | 89.9 | Confident | 91.9 | Very high | 161 Ų | 161 | 109.1 Ų | 109.1 | 75% | 0.752 | 60% | 0.598 | S | S | * | * | trans | 55.4 | 37.3 | -179.1 | -52.8 | -173.4 | 4.2 | 0 | 0 | 113.9 | V112 S113 | Q110-V112 PolarHBondContact O-N 2.91Å; Q110-S113 VanDerWaalsContact O-CB 3.31Å; Q110-S113 WeakPolarHBondContact O-CB 3.45Å; Q110-S113 PolarHBondContact O-N 3.31Å; Q110-S113 PolarHBondContact O-OG 2.82Å | ||
| 111 | V | 90.1 | Very high | 91.7 | Very high | 105 Ų | 105 | 106.9 Ų | 106.9 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | trans | -61.2 | -11.8 | -174.8 | -57.2 | 0 | 0 | 0 | 0 | 115.1 | Q109 S116 | Q109-V111 VanDerWaalsContact C-N 3.25Å; Q109-V111 PolarHBondContact O-N 2.67Å; V111-S116 WeakPolarHBondContact O-CB 3.48Å; V111-S116 PolarHBondContact O-OG 3.14Å | ||
| 112 | V | 89.3 | Confident | 91.5 | Very high | 141 Ų | 141 | 99.2 Ų | 99.2 | 86% | 0.855 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -117.8 | 57.4 | 175.2 | -161.7 | 0 | 0 | 0 | 0 | 109.9 | Q110 | Q110-V112 PolarHBondContact O-N 2.91Š|
| 113 | S | 90.6 | Very high | 91.1 | Very high | 34 Ų | 34 | 93.4 Ų | 93.4 | 24% | 0.238 | 52% | 0.524 | C | S | . | . | S | Bend | trans | -108.8 | 171.4 | 177 | 57.9 | 0 | 0 | 0 | 0 | 110.6 | Q110 N115 S116 | Q110-S113 VanDerWaalsContact O-CB 3.31Å; Q110-S113 WeakPolarHBondContact O-CB 3.45Å; Q110-S113 PolarHBondContact O-N 3.31Å; Q110-S113 PolarHBondContact O-OG 2.82Å; S113-N115 PolarHBondContact O-N 2.7Å; S113-N115 VanDerWaalsContact O-N 3.09Å; S113-N115 PolarHBondContact OG-OD1 3.11Å; S113-S116 PolarHBondContact N-OG 3.18Å; S113-S116 PolarHBondContact O-N 3.4Å; S113-S116 PolarHBondContact O-OG 3.19Å; S113-S116 VanDerWaalsContact O-OG 3.11Å |
| 114 | K | 90.1 | Very high | 90.8 | Very high | 169 Ų | 169 | 92.8 Ų | 92.8 | 74% | 0.735 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.2 | -171.9 | -68.6 | -172 | 177.9 | -175.3 | 0 | 114.1 | I117 | K114-I117 HydrophobicContact CB-CD1 4.47Š|
| 115 | N | 89.7 | Confident | 90.5 | Very high | 145 Ų | 145 | 95.1 Ų | 95.1 | 78% | 0.775 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -13.9 | 178.8 | 64 | 16.2 | 0 | 0 | 0 | 113.6 | S113 | S113-N115 PolarHBondContact O-N 2.7Å; S113-N115 VanDerWaalsContact O-N 3.09Å; S113-N115 PolarHBondContact OG-OD1 3.11Å |
| 116 | S | 91 | Very high | 90.4 | Very high | 56 Ų | 56 | 94.4 Ų | 94.4 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -99.7 | 7.4 | 176.1 | 68.1 | 0 | 0 | 0 | 0 | 113.3 | V111 S113 P118 | V111-S116 WeakPolarHBondContact O-CB 3.48Å; V111-S116 PolarHBondContact O-OG 3.14Å; S113-S116 PolarHBondContact N-OG 3.18Å; S113-S116 PolarHBondContact O-N 3.4Å; S113-S116 PolarHBondContact O-OG 3.19Å; S113-S116 VanDerWaalsContact O-OG 3.11Å; S116-P118 WeakPolarHBondContact O-CD 3.16Å |
| 117 | I | 89.5 | Confident | 90.2 | Very high | 69 Ų | 69 | 95.6 Ų | 95.6 | 35% | 0.354 | 50% | 0.497 | S | S | . | . | trans | -69.9 | 121.3 | 173.8 | -61.3 | 178.4 | 0 | 0 | 0 | 108.8 | K114 V121 A122 | K114-I117 HydrophobicContact CB-CD1 4.47Å; I117-V121 HydrophobicContact CG2-CB 3.86Å; I117-V121 HydrophobicContact CG2-CG1 3.89Å; I117-A122 HydrophobicContact CG2-CB 4.07Å | ||
| 118 | P | 88.7 | Confident | 90.1 | Very high | 43 Ų | 43 | 93.6 Ų | 93.6 | 28% | 0.279 | 50% | 0.495 | S | S | . | . | trans | -63.5 | 144.2 | 176 | -21.6 | 33.6 | 0 | 0 | 0 | 111.9 | S116 P120 V121 A122 | S116-P118 WeakPolarHBondContact O-CD 3.16Å; P118-P120 VanDerWaalsContact C-CD 3.44Å; P118-P120 VanDerWaalsContact C-N 3.33Å; P118-P120 VanDerWaalsContact O-N 3.13Å; P118-V121 HydrophobicContact CB-CG2 4.41Å; P118-V121 HydrophobicContact CG-CG2 4.42Å; P118-V121 WeakPolarHBondContact O-CA 3.34Å; P118-V121 WeakPolarHBondContact O-CB 3.47Å; P118-V121 PolarHBondContact O-N 2.85Å; P118-A122 PolarHBondContact O-N 3.42Å | ||
| 119 | N | 88.4 | Confident | 90.3 | Very high | 106 Ų | 106 | 94.5 Ų | 94.5 | 57% | 0.567 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -46.8 | -45.2 | -178.3 | -63 | -12.2 | 0 | 0 | 0 | 114.1 | V121 A122 D123 | N119-V121 VanDerWaalsContact C-N 3.29Å; N119-V121 PolarHBondContact O-N 3.24Å; N119-A122 WeakPolarHBondContact O-CB 3.41Å; N119-A122 PolarHBondContact O-N 3.11Å; N119-A122 VanDerWaalsContact O-N 3.13Å; N119-D123 PolarHBondContact O-N 2.91Å |
| 120 | P | 87.3 | Confident | 90.5 | Very high | 6 Ų | 6 | 96.9 Ų | 96.9 | 4% | 0.039 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -62.7 | -31.7 | 177.5 | -24.9 | 35.7 | 0 | 0 | 0 | 114.6 | K5 R6 P118 I124 | K5-P120 WeakPolarHBondContact O-CB 3.33Å; R6-P120 HydrophobicContact CG-CB 3.91Å; R6-P120 HydrophobicContact CG-CG 3.77Å; R6-P120 VanDerWaalsContact CZ-CG 3.43Å; P118-P120 VanDerWaalsContact C-CD 3.44Å; P118-P120 VanDerWaalsContact C-N 3.33Å; P118-P120 VanDerWaalsContact O-N 3.13Å; P120-I124 WeakPolarHBondContact O-CD1 2.99Å; P120-I124 WeakPolarHBondContact O-CG1 3.46Å; P120-I124 PolarHBondContact O-N 2.85Å |
| 121 | V | 88.4 | Confident | 90.7 | Very high | 40 Ų | 40 | 91.9 Ų | 91.9 | 24% | 0.242 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -77 | -34.8 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | K5 I117 P118 N119 I124 Y125 | K5-V121 HydrophobicContact CG-CG2 4.45Å; I117-V121 HydrophobicContact CG2-CB 3.86Å; I117-V121 HydrophobicContact CG2-CG1 3.89Å; P118-V121 HydrophobicContact CB-CG2 4.41Å; P118-V121 HydrophobicContact CG-CG2 4.42Å; P118-V121 WeakPolarHBondContact O-CA 3.34Å; P118-V121 WeakPolarHBondContact O-CB 3.47Å; P118-V121 PolarHBondContact O-N 2.85Å; N119-V121 VanDerWaalsContact C-N 3.29Å; N119-V121 PolarHBondContact O-N 3.24Å; V121-I124 PolarHBondContact O-N 2.83Å; V121-Y125 WeakPolarHBondContact O-CB 3.42Å; V121-Y125 PolarHBondContact O-N 3.28Å |
| 122 | A | 90 | Very high | 91 | Very high | 27 Ų | 27 | 89.8 Ų | 89.8 | 22% | 0.223 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I117 P118 N119 I124 Y125 N126 | I117-A122 HydrophobicContact CG2-CB 4.07Å; P118-A122 PolarHBondContact O-N 3.42Å; N119-A122 WeakPolarHBondContact O-CB 3.41Å; N119-A122 PolarHBondContact O-N 3.11Å; N119-A122 VanDerWaalsContact O-N 3.13Å; A122-I124 VanDerWaalsContact C-N 3.34Å; A122-I124 PolarHBondContact O-N 3.17Å; A122-Y125 PolarHBondContact O-N 2.97Å; A122-N126 WeakPolarHBondContact O-CB 3.3Å; A122-N126 PolarHBondContact O-N 2.95Å; A122-N126 PolarHBondContact O-ND2 3.09Å; A122-N126 VanDerWaalsContact O-ND2 3.11Å |
| 123 | D | 88.8 | Confident | 91.3 | Very high | 63 Ų | 63 | 87.5 Ų | 87.5 | 34% | 0.337 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 174.1 | -81.1 | 2.1 | 0 | 0 | 0 | 111.4 | K46 N119 Q127 | K46-D123 IonicContact NZ-OD2 2.87Å; K46-D123 PolarHBondContact NZ-OD2 2.81Å; N119-D123 PolarHBondContact O-N 2.91Å; D123-Q127 WeakPolarHBondContact O-CG 3.46Å; D123-Q127 PolarHBondContact O-N 3.37Å; D123-Q127 PolarHBondContact O-NE2 3.42Å |
| 124 | I | 89.1 | Confident | 91.5 | Very high | 70 Ų | 70 | 88.5 Ų | 88.5 | 36% | 0.359 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | 176.5 | -65.7 | 164.4 | 0 | 0 | 0 | 111.2 | P120 V121 A122 N126 Q127 S128 | P120-I124 WeakPolarHBondContact O-CD1 2.99Å; P120-I124 WeakPolarHBondContact O-CG1 3.46Å; P120-I124 PolarHBondContact O-N 2.85Å; V121-I124 PolarHBondContact O-N 2.83Å; A122-I124 VanDerWaalsContact C-N 3.34Å; A122-I124 PolarHBondContact O-N 3.17Å; I124-N126 VanDerWaalsContact C-N 3.34Å; I124-N126 PolarHBondContact O-N 3.25Å; I124-Q127 PolarHBondContact O-N 3.42Å; I124-S128 PolarHBondContact O-N 3.13Å; I124-S128 PolarHBondContact O-OG 3.02Å |
| 125 | Y | 90.8 | Very high | 91.7 | Very high | 150 Ų | 150 | 84.3 Ų | 84.3 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.6 | -41.2 | 178.1 | 178.7 | -100.1 | 0 | 0 | 0 | 112.1 | V121 A122 Q127 S128 | V121-Y125 WeakPolarHBondContact O-CB 3.42Å; V121-Y125 PolarHBondContact O-N 3.28Å; A122-Y125 PolarHBondContact O-N 2.97Å; Y125-Q127 VanDerWaalsContact C-N 3.3Å; Y125-Q127 PolarHBondContact O-N 2.89Å; Y125-S128 WeakPolarHBondContact O-CB 3.46Å; Y125-S128 PolarHBondContact O-N 2.86Å |
| 126 | N | 92.4 | Very high | 92.1 | Very high | 104 Ų | 104 | 83 Ų | 83 | 56% | 0.556 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -70 | -25.5 | -179.6 | -71.6 | -30.1 | 0 | 0 | 0 | 113.7 | A122 I124 | A122-N126 WeakPolarHBondContact O-CB 3.3Å; A122-N126 PolarHBondContact O-N 2.95Å; A122-N126 PolarHBondContact O-ND2 3.09Å; A122-N126 VanDerWaalsContact O-ND2 3.11Å; I124-N126 VanDerWaalsContact C-N 3.34Å; I124-N126 PolarHBondContact O-N 3.25Å |
| 127 | Q | 90.8 | Very high | 92.3 | Very high | 144 Ų | 144 | 84.8 Ų | 84.8 | 67% | 0.673 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -85.6 | -10.6 | 173.6 | -71.2 | 172.2 | 87.6 | 0 | 0 | 113.5 | D123 I124 Y125 | D123-Q127 WeakPolarHBondContact O-CG 3.46Å; D123-Q127 PolarHBondContact O-N 3.37Å; D123-Q127 PolarHBondContact O-NE2 3.42Å; I124-Q127 PolarHBondContact O-N 3.42Å; Y125-Q127 VanDerWaalsContact C-N 3.3Å; Y125-Q127 PolarHBondContact O-N 2.89Å |
| 128 | S | 93.1 | Very high | 92.5 | Very high | 61 Ų | 61 | 83.2 Ų | 83.2 | 43% | 0.427 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -77.7 | 155.7 | 179.7 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | I124 Y125 K130 | I124-S128 PolarHBondContact O-N 3.13Å; I124-S128 PolarHBondContact O-OG 3.02Å; Y125-S128 WeakPolarHBondContact O-CB 3.46Å; Y125-S128 PolarHBondContact O-N 2.86Å; S128-K130 PolarHBondContact O-N 3.22Å |
| 129 | D | 96.3 | Very high | 92.9 | Very high | 167 Ų | 167 | 86.2 Ų | 86.2 | 89% | 0.893 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 128.7 | 177 | -70 | -40.9 | 0 | 0 | 0 | 111.5 | ||
| 130 | K | 95.4 | Very high | 93.2 | Very high | 173 Ų | 173 | 90.6 Ų | 90.6 | 75% | 0.752 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -81.4 | 146.6 | 178.7 | -67.1 | 175.8 | -176.2 | 173 | 0 | 109.8 | S128 | S128-K130 PolarHBondContact O-N 3.22Š|
| 131 | P | 95.6 | Very high | 93.6 | Very high | 57 Ų | 57 | 94.3 Ų | 94.3 | 37% | 0.37 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 154.2 | 174.9 | 28.4 | -36.1 | 0 | 0 | 0 | 110.6 | L148 Y151 | P131-L148 HydrophobicContact CB-CD1 3.82Å; P131-L148 HydrophobicContact CG-CD1 4.02Å; P131-Y151 HydrophobicContact CB-CD1 3.96Å; P131-Y151 HydrophobicContact CB-CE1 3.68Å |
| 132 | P | 96 | Very high | 94.1 | Very high | 60 Ų | 60 | 100.4 Ų | 100.4 | 39% | 0.39 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 143.2 | 173.1 | -24.7 | 34.3 | 0 | 0 | 0 | 111 | L134 Y151 | P132-L134 HydrophobicContact CB-CD2 4.3Å; P132-L134 HydrophobicContact CB-CG 4.24Å; P132-L134 PolarHBondContact O-N 3.5Å; P132-Y151 HydrophobicContact CG-CE2 4.42Å |
| 133 | P | 95.1 | Very high | 94.3 | Very high | 94 Ų | 94 | 102.1 Ų | 102.1 | 61% | 0.61 | 52% | 0.524 | S | S | * | . | trans | -77.4 | 52.7 | -171.5 | 32.9 | -37.8 | 0 | 0 | 0 | 112.8 | N135 I136 | P133-N135 PolarHBondContact O-N 3.05Å; P133-I136 VanDerWaalsContact O-CG1 3.31Å; P133-I136 WeakPolarHBondContact O-CG1 3.27Å; P133-I136 PolarHBondContact O-N 2.8Å; P133-I136 VanDerWaalsContact O-N 3.1Å | ||
| 134 | L | 95.8 | Very high | 94.5 | Very high | 55 Ų | 55 | 108.1 Ų | 108.1 | 29% | 0.288 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -60.6 | -17.2 | -175.1 | -59.5 | 179.7 | 0 | 0 | 0 | 113.8 | P132 I136 L137 Y151 | P132-L134 HydrophobicContact CB-CD2 4.3Å; P132-L134 HydrophobicContact CB-CG 4.24Å; P132-L134 PolarHBondContact O-N 3.5Å; L134-I136 PolarHBondContact O-N 3.34Å; L134-I136 VanDerWaalsContact O-N 3.14Å; L134-L137 HydrophobicContact CD2-CD1 4.22Å; L134-L137 WeakPolarHBondContact O-CB 3.48Å; L134-L137 PolarHBondContact O-N 3.1Å; L134-Y151 HydrophobicContact CD1-CD2 4.42Å; L134-Y151 HydrophobicContact CD1-CG 4.12Å |
| 135 | N | 94.3 | Very high | 94.7 | Very high | 81 Ų | 81 | 110.8 Ų | 110.8 | 43% | 0.433 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -55.1 | -26.9 | 172 | -68 | 3 | 0 | 0 | 0 | 113.3 | P133 L137 T138 D146 L148 | P133-N135 PolarHBondContact O-N 3.05Å; N135-L137 PolarHBondContact O-N 3.25Å; N135-T138 WeakPolarHBondContact O-CB 3.19Å; N135-T138 PolarHBondContact O-N 3.47Å; N135-T138 PolarHBondContact O-OG1 3.06Å; N135-D146 PolarHBondContact OD1-OD1 3.24Å; N135-D146 VanDerWaalsContact OD1-OD1 3.1Å; N135-L148 WeakPolarHBondContact OD1-CB 3.49Å |
| 136 | I | 96.4 | Very high | 94.9 | Very high | 117 Ų | 117 | 106.3 Ų | 106.3 | 60% | 0.6 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -66.9 | -21.1 | 175.9 | 72.9 | -172.4 | 0 | 0 | 0 | 112.6 | P133 L134 Y140 | P133-I136 VanDerWaalsContact O-CG1 3.31Å; P133-I136 WeakPolarHBondContact O-CG1 3.27Å; P133-I136 PolarHBondContact O-N 2.8Å; P133-I136 VanDerWaalsContact O-N 3.1Å; L134-I136 PolarHBondContact O-N 3.34Å; L134-I136 VanDerWaalsContact O-N 3.14Å; I136-Y140 WeakPolarHBondContact O-CE2 3.18Å |
| 137 | L | 95.3 | Very high | 95 | Very high | 93 Ų | 93 | 101.7 Ų | 101.7 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -91 | -15.4 | 176.6 | -61.6 | 101.2 | 0 | 0 | 0 | 112.7 | L134 N135 P139 Y140 | L134-L137 HydrophobicContact CD2-CD1 4.22Å; L134-L137 WeakPolarHBondContact O-CB 3.48Å; L134-L137 PolarHBondContact O-N 3.1Å; N135-L137 PolarHBondContact O-N 3.25Å; L137-P139 VanDerWaalsContact C-CD 3.42Å; L137-P139 VanDerWaalsContact C-N 3.34Å; L137-Y140 PolarHBondContact O-N 2.85Å |
| 138 | T | 95 | Very high | 95.3 | Very high | 36 Ų | 36 | 96.4 Ų | 96.4 | 22% | 0.221 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -50.6 | -42 | 179.3 | -60.8 | 0 | 0 | 0 | 0 | 113.8 | N135 Y140 R141 D146 G147 | N135-T138 WeakPolarHBondContact O-CB 3.19Å; N135-T138 PolarHBondContact O-N 3.47Å; N135-T138 PolarHBondContact O-OG1 3.06Å; T138-Y140 PolarHBondContact O-N 2.98Å; T138-R141 PolarHBondContact O-N 2.95Å; T138-D146 PolarHBondContact OG1-OD1 2.9Å; T138-D146 VanDerWaalsContact OG1-OD1 3.09Å; T138-G147 PolarHBondContact OG1-N 2.76Å |
| 139 | P | 96.8 | Very high | 95.4 | Very high | 106 Ų | 106 | 97.8 Ų | 97.8 | 69% | 0.688 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -64.7 | -18 | 178 | -23.3 | 35.6 | 0 | 0 | 0 | 115.3 | L137 | L137-P139 VanDerWaalsContact C-CD 3.42Å; L137-P139 VanDerWaalsContact C-N 3.34Å |
| 140 | Y | 95.5 | Very high | 95.4 | Very high | 199 Ų | 199 | 95.4 Ų | 95.4 | 78% | 0.78 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -99.4 | 12.3 | -177.1 | -54.4 | -86.3 | 0 | 0 | 0 | 112.8 | I136 L137 T138 | I136-Y140 WeakPolarHBondContact O-CE2 3.18Å; L137-Y140 PolarHBondContact O-N 2.85Å; T138-Y140 PolarHBondContact O-N 2.98Å |
| 141 | R | 95.8 | Very high | 95.5 | Very high | 84 Ų | 84 | 94 Ų | 94 | 32% | 0.317 | 47% | 0.466 | S | S | . | . | trans | -99.6 | 127.6 | -179 | -64.3 | -174.2 | 60.3 | 83.2 | 9.4 | 112.4 | T138 D143 K144 K145 F150 | T138-R141 PolarHBondContact O-N 2.95Å; R141-D143 VanDerWaalsContact C-N 3.26Å; R141-D143 IonicContact CZ-OD1 3.14Å; R141-D143 IonicContact CZ-OD2 3.76Å; R141-D143 IonicContact NE-OD1 3.17Å; R141-D143 PolarHBondContact NE-OD1 3.24Å; R141-D143 IonicContact NE-OD2 3.77Å; R141-D143 VanDerWaalsContact NH2-CG 3.28Å; R141-D143 IonicContact NH2-OD1 2.72Å; R141-D143 PolarHBondContact NH2-OD1 2.95Å; R141-D143 IonicContact NH2-OD2 3.97Å; R141-D143 PolarHBondContact NH2-OD2 3.1Å; R141-D143 PolarHBondContact O-N 3.41Å; R141-K144 PolarHBondContact O-N 2.93Å; R141-K145 VanDerWaalsContact CD-O 3.31Å; R141-K145 WeakPolarHBondContact CD-O 3.45Å; R141-F150 VanDerWaalsContact CZ-CE2 3.41Å; R141-F150 VanDerWaalsContact NH2-CE2 3.33Å | ||
| 142 | D | 97 | Very high | 95.5 | Very high | 167 Ų | 167 | 94.4 Ų | 94.4 | 89% | 0.893 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -33.2 | 176.6 | -54.8 | -47.8 | 0 | 0 | 0 | 113 | K144 | D142-K144 VanDerWaalsContact C-N 3.28Å; D142-K144 PolarHBondContact O-N 3Å |
| 143 | D | 95.3 | Very high | 95.5 | Very high | 63 Ų | 63 | 93.6 Ų | 93.6 | 34% | 0.337 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -4.8 | -177.2 | 72.8 | -4.8 | 0 | 0 | 0 | 114.5 | R141 K145 F150 | R141-D143 VanDerWaalsContact C-N 3.26Å; R141-D143 IonicContact CZ-OD1 3.14Å; R141-D143 IonicContact CZ-OD2 3.76Å; R141-D143 IonicContact NE-OD1 3.17Å; R141-D143 PolarHBondContact NE-OD1 3.24Å; R141-D143 IonicContact NE-OD2 3.77Å; R141-D143 VanDerWaalsContact NH2-CG 3.28Å; R141-D143 IonicContact NH2-OD1 2.72Å; R141-D143 PolarHBondContact NH2-OD1 2.95Å; R141-D143 IonicContact NH2-OD2 3.97Å; R141-D143 PolarHBondContact NH2-OD2 3.1Å; R141-D143 PolarHBondContact O-N 3.41Å; D143-K145 HydrophobicContact CB-CG 4.28Å; D143-K145 PolarHBondContact O-N 2.87Å; D143-K145 WeakPolarHBondContact OD1-CB 3.49Å; D143-K145 PolarHBondContact OD1-N 2.87Å; D143-K145 WeakPolarHBondContact OD2-CD 3.3Å; D143-F150 WeakPolarHBondContact OD2-CZ 3.36Å |
| 144 | K | 92.4 | Very high | 95.5 | Very high | 189 Ų | 189 | 94 Ų | 94 | 82% | 0.822 | 46% | 0.463 | S | S | * | . | trans | 53.8 | 19.8 | -176.9 | -54.3 | -179.9 | -177.8 | 177.7 | 0 | 114.4 | R141 D142 | R141-K144 PolarHBondContact O-N 2.93Å; D142-K144 VanDerWaalsContact C-N 3.28Å; D142-K144 PolarHBondContact O-N 3Å | ||
| 145 | K | 94.3 | Very high | 95.4 | Very high | 126 Ų | 126 | 93.3 Ų | 93.3 | 55% | 0.548 | 46% | 0.463 | S | S | . | . | trans | -86.3 | 151 | 176.8 | -64.7 | -176.9 | -172.7 | 171.6 | 0 | 110.4 | R141 D143 G147 F150 | R141-K145 VanDerWaalsContact CD-O 3.31Å; R141-K145 WeakPolarHBondContact CD-O 3.45Å; D143-K145 HydrophobicContact CB-CG 4.28Å; D143-K145 PolarHBondContact O-N 2.87Å; D143-K145 WeakPolarHBondContact OD1-CB 3.49Å; D143-K145 PolarHBondContact OD1-N 2.87Å; D143-K145 WeakPolarHBondContact OD2-CD 3.3Å; K145-G147 PolarHBondContact O-N 2.78Å; K145-F150 HydrophobicContact CB-CE2 3.81Å; K145-F150 HydrophobicContact CB-CZ 4.12Å; K145-F150 HydrophobicContact CD-CZ 4.03Å | ||
| 146 | D | 94.7 | Very high | 95.6 | Very high | 57 Ų | 57 | 95.6 Ų | 95.6 | 31% | 0.305 | 47% | 0.466 | S | S | . | . | trans | -65.4 | 122.3 | 176.6 | -174.2 | 17.4 | 0 | 0 | 0 | 111.3 | N135 T138 L148 K149 F150 | N135-D146 PolarHBondContact OD1-OD1 3.24Å; N135-D146 VanDerWaalsContact OD1-OD1 3.1Å; T138-D146 PolarHBondContact OG1-OD1 2.9Å; T138-D146 VanDerWaalsContact OG1-OD1 3.09Å; D146-L148 VanDerWaalsContact C-N 3.26Å; D146-L148 PolarHBondContact O-N 2.61Å; D146-K149 HydrophobicContact CB-CD 4.23Å; D146-K149 HydrophobicContact CB-CG 4.22Å; D146-K149 WeakPolarHBondContact O-CB 3.37Å; D146-K149 PolarHBondContact O-N 2.68Å; D146-K149 VanDerWaalsContact O-N 3.13Å; D146-F150 WeakPolarHBondContact O-CD2 3.37Å | ||
| 147 | G | 95.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 97.8 Ų | 97.8 | 6% | 0.062 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -59.3 | -33.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T138 K145 K149 F150 | T138-G147 PolarHBondContact OG1-N 2.76Å; K145-G147 PolarHBondContact O-N 2.78Å; G147-K149 PolarHBondContact O-N 3.18Å; G147-F150 PolarHBondContact O-N 3.04Å |
| 148 | L | 96.3 | Very high | 95.6 | Very high | 34 Ų | 34 | 98.8 Ų | 98.8 | 18% | 0.178 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -70.4 | -28.1 | 177.7 | 178.8 | 66.1 | 0 | 0 | 0 | 113.1 | P131 N135 D146 F150 Y151 T152 | P131-L148 HydrophobicContact CB-CD1 3.82Å; P131-L148 HydrophobicContact CG-CD1 4.02Å; N135-L148 WeakPolarHBondContact OD1-CB 3.49Å; D146-L148 VanDerWaalsContact C-N 3.26Å; D146-L148 PolarHBondContact O-N 2.61Å; L148-F150 PolarHBondContact O-N 3.11Å; L148-Y151 HydrophobicContact CD1-CD1 4.15Å; L148-Y151 WeakPolarHBondContact O-CA 3.48Å; L148-Y151 PolarHBondContact O-N 3.11Å; L148-T152 HydrophobicContact CD1-CG2 3.83Å; L148-T152 HydrophobicContact CG-CG2 4.02Å; L148-T152 PolarHBondContact O-N 2.72Å |
| 149 | K | 96.2 | Very high | 95.6 | Very high | 89 Ų | 89 | 100.5 Ų | 100.5 | 39% | 0.387 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -62 | -23.2 | 175.8 | -78.4 | -179.3 | 162.7 | -92.9 | 0 | 113.3 | D146 G147 Y151 T152 D153 S155 | D146-K149 HydrophobicContact CB-CD 4.23Å; D146-K149 HydrophobicContact CB-CG 4.22Å; D146-K149 WeakPolarHBondContact O-CB 3.37Å; D146-K149 PolarHBondContact O-N 2.68Å; D146-K149 VanDerWaalsContact O-N 3.13Å; G147-K149 PolarHBondContact O-N 3.18Å; K149-Y151 VanDerWaalsContact C-N 3.26Å; K149-Y151 PolarHBondContact O-N 2.92Å; K149-T152 WeakPolarHBondContact CA-O 3.37Å; K149-D153 HydrophobicContact CB-CB 4.14Å; K149-D153 HydrophobicContact CG-CB 4.12Å; K149-D153 IonicContact NZ-OD1 3.94Å; K149-D153 PolarHBondContact NZ-OD1 3.3Å; K149-D153 IonicContact NZ-OD2 2.68Å; K149-D153 PolarHBondContact NZ-OD2 2.93Å; K149-S155 PolarHBondContact NZ-OG 3.44Å |
| 150 | F | 95.1 | Very high | 95.7 | Very high | 118 Ų | 118 | 99.4 Ų | 99.4 | 52% | 0.518 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -74.8 | -14.8 | 172.8 | -66.2 | -91.1 | 0 | 0 | 0 | 113.6 | R141 D143 K145 D146 G147 L148 | R141-F150 VanDerWaalsContact CZ-CE2 3.41Å; R141-F150 VanDerWaalsContact NH2-CE2 3.33Å; D143-F150 WeakPolarHBondContact OD2-CZ 3.36Å; K145-F150 HydrophobicContact CB-CE2 3.81Å; K145-F150 HydrophobicContact CB-CZ 4.12Å; K145-F150 HydrophobicContact CD-CZ 4.03Å; D146-F150 WeakPolarHBondContact O-CD2 3.37Å; G147-F150 PolarHBondContact O-N 3.04Å; L148-F150 PolarHBondContact O-N 3.11Å |
| 151 | Y | 96.8 | Very high | 95.7 | Very high | 143 Ų | 143 | 94.2 Ų | 94.2 | 56% | 0.561 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -41.5 | 175.7 | 178.1 | -91.6 | 0 | 0 | 0 | 111.8 | P131 P132 L134 L148 K149 | P131-Y151 HydrophobicContact CB-CD1 3.96Å; P131-Y151 HydrophobicContact CB-CE1 3.68Å; P132-Y151 HydrophobicContact CG-CE2 4.42Å; L134-Y151 HydrophobicContact CD1-CD2 4.42Å; L134-Y151 HydrophobicContact CD1-CG 4.12Å; L148-Y151 HydrophobicContact CD1-CD1 4.15Å; L148-Y151 WeakPolarHBondContact O-CA 3.48Å; L148-Y151 PolarHBondContact O-N 3.11Å; K149-Y151 VanDerWaalsContact C-N 3.26Å; K149-Y151 PolarHBondContact O-N 2.92Å |
| 152 | T | 96.4 | Very high | 95.8 | Very high | 66 Ų | 66 | 95.2 Ų | 95.2 | 41% | 0.405 | 45% | 0.454 | S | S | . | . | trans | -151.2 | 121.1 | 175.8 | -172.1 | 0 | 0 | 0 | 0 | 110.7 | L148 K149 | L148-T152 HydrophobicContact CD1-CG2 3.83Å; L148-T152 HydrophobicContact CG-CG2 4.02Å; L148-T152 PolarHBondContact O-N 2.72Å; K149-T152 WeakPolarHBondContact CA-O 3.37Å | ||
| 153 | D | 96.2 | Very high | 95.8 | Very high | 42 Ų | 42 | 93.7 Ų | 93.7 | 23% | 0.225 | 44% | 0.441 | C | S | . | . | trans | -125.6 | 101.3 | 174.6 | -168.4 | -4.1 | 0 | 0 | 0 | 111.5 | K149 S155 Y156 | K149-D153 HydrophobicContact CB-CB 4.14Å; K149-D153 HydrophobicContact CG-CB 4.12Å; K149-D153 IonicContact NZ-OD1 3.94Å; K149-D153 PolarHBondContact NZ-OD1 3.3Å; K149-D153 IonicContact NZ-OD2 2.68Å; K149-D153 PolarHBondContact NZ-OD2 2.93Å; D153-S155 PolarHBondContact O-N 3.41Å; D153-S155 PolarHBondContact OD1-N 3.34Å; D153-S155 PolarHBondContact OD1-OG 3.34Å; D153-S155 VanDerWaalsContact OD1-OG 3.11Å; D153-Y156 VanDerWaalsContact O-CB 3.31Å; D153-Y156 WeakPolarHBondContact O-CB 3.35Å; D153-Y156 PolarHBondContact O-N 2.82Å | ||
| 154 | P | 94.3 | Very high | 95.9 | Very high | 103 Ų | 103 | 95.9 Ų | 95.9 | 67% | 0.669 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.2 | 176.1 | -24.2 | 35.4 | 0 | 0 | 0 | 114.8 | ||
| 155 | S | 95.1 | Very high | 96 | Very high | 40 Ų | 40 | 88.8 Ų | 88.8 | 28% | 0.28 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -19.5 | 179.3 | 75.4 | 0 | 0 | 0 | 0 | 113.2 | K149 D153 F157 F158 D159 | K149-S155 PolarHBondContact NZ-OG 3.44Å; D153-S155 PolarHBondContact O-N 3.41Å; D153-S155 PolarHBondContact OD1-N 3.34Å; D153-S155 PolarHBondContact OD1-OG 3.34Å; D153-S155 VanDerWaalsContact OD1-OG 3.11Å; S155-F157 VanDerWaalsContact C-N 3.3Å; S155-F157 PolarHBondContact O-N 3.37Å; S155-F157 VanDerWaalsContact O-N 3.11Å; S155-F158 PolarHBondContact O-N 3.32Å; S155-D159 WeakPolarHBondContact CB-OD2 3.42Å; S155-D159 PolarHBondContact O-N 2.93Å; S155-D159 PolarHBondContact OG-OD2 3.06Å |
| 156 | Y | 96.9 | Very high | 96.1 | Very high | 130 Ų | 130 | 86.5 Ų | 86.5 | 51% | 0.51 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -46 | -46.9 | -176 | 178 | -99 | 0 | 0 | 0 | 114.3 | D153 F158 D159 L160 | D153-Y156 VanDerWaalsContact O-CB 3.31Å; D153-Y156 WeakPolarHBondContact O-CB 3.35Å; D153-Y156 PolarHBondContact O-N 2.82Å; Y156-F158 PolarHBondContact O-N 2.97Å; Y156-D159 PolarHBondContact O-N 3.21Å; Y156-L160 HydrophobicContact CE1-CD2 4.04Å; Y156-L160 VanDerWaalsContact O-CB 3.24Å; Y156-L160 WeakPolarHBondContact O-CB 3.23Å; Y156-L160 PolarHBondContact O-N 3.02Å |
| 157 | F | 96.4 | Very high | 96.2 | Very high | 163 Ų | 163 | 88.4 Ų | 88.4 | 72% | 0.715 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.2 | -39.9 | -179.4 | -64.1 | -73.5 | 0 | 0 | 0 | 112.9 | S155 W161 | S155-F157 VanDerWaalsContact C-N 3.3Å; S155-F157 PolarHBondContact O-N 3.37Å; S155-F157 VanDerWaalsContact O-N 3.11Å; F157-W161 WeakPolarHBondContact O-CB 3.48Å; F157-W161 PolarHBondContact O-N 3.18Å; F157-W161 VanDerWaalsContact O-N 3.14Å |
| 158 | F | 95.6 | Very high | 96.2 | Very high | 114 Ų | 114 | 91.4 Ų | 91.4 | 50% | 0.5 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -74.4 | -41.7 | 177.9 | 176.9 | -98.7 | 0 | 0 | 0 | 111.2 | S155 Y156 W161 K162 | S155-F158 PolarHBondContact O-N 3.32Å; Y156-F158 PolarHBondContact O-N 2.97Å; F158-W161 AromaticContact CD2-CE3 3.92Å; F158-W161 HydrophobicContact CD2-CE3 3.92Å; F158-W161 HydrophobicContact CD2-CZ3 4.19Å; F158-W161 AromaticContact CE2-CE3 3.87Å; F158-W161 HydrophobicContact CE2-CE3 3.87Å; F158-W161 AromaticContact CE2-CZ3 3.66Å; F158-W161 HydrophobicContact CE2-CZ3 3.66Å; F158-W161 HydrophobicContact CZ-CZ3 4.34Å; F158-W161 PolarHBondContact O-N 3.45Å; F158-K162 HydrophobicContact CE1-CD 4.17Å; F158-K162 WeakPolarHBondContact O-CB 3.47Å; F158-K162 PolarHBondContact O-N 3.06Å |
| 159 | D | 96.6 | Very high | 96.2 | Very high | 71 Ų | 71 | 90.7 Ų | 90.7 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | -179.7 | -66.2 | -37.6 | 0 | 0 | 0 | 111.1 | S155 Y156 K162 E163 | S155-D159 WeakPolarHBondContact CB-OD2 3.42Å; S155-D159 PolarHBondContact O-N 2.93Å; S155-D159 PolarHBondContact OG-OD2 3.06Å; Y156-D159 PolarHBondContact O-N 3.21Å; D159-K162 PolarHBondContact O-N 2.89Å; D159-E163 WeakPolarHBondContact O-CB 3.43Å; D159-E163 PolarHBondContact O-N 3.32Å |
| 160 | L | 96.9 | Very high | 96.1 | Very high | 84 Ų | 84 | 89.1 Ų | 89.1 | 44% | 0.44 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 175.4 | -177.6 | 66.9 | 0 | 0 | 0 | 112.4 | Y156 K164 | Y156-L160 HydrophobicContact CE1-CD2 4.04Å; Y156-L160 VanDerWaalsContact O-CB 3.24Å; Y156-L160 WeakPolarHBondContact O-CB 3.23Å; Y156-L160 PolarHBondContact O-N 3.02Å; L160-K164 WeakPolarHBondContact O-CB 3.38Å; L160-K164 PolarHBondContact O-N 2.93Å |
| 161 | W | 97.3 | Very high | 96.1 | Very high | 90 Ų | 90 | 87 Ų | 87 | 34% | 0.341 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64 | -44 | 175.5 | 168.4 | 84.7 | 0 | 0 | 0 | 111.5 | F157 F158 K164 M165 V474 | F157-W161 WeakPolarHBondContact O-CB 3.48Å; F157-W161 PolarHBondContact O-N 3.18Å; F157-W161 VanDerWaalsContact O-N 3.14Å; F158-W161 AromaticContact CD2-CE3 3.92Å; F158-W161 HydrophobicContact CD2-CE3 3.92Å; F158-W161 HydrophobicContact CD2-CZ3 4.19Å; F158-W161 AromaticContact CE2-CE3 3.87Å; F158-W161 HydrophobicContact CE2-CE3 3.87Å; F158-W161 AromaticContact CE2-CZ3 3.66Å; F158-W161 HydrophobicContact CE2-CZ3 3.66Å; F158-W161 HydrophobicContact CZ-CZ3 4.34Å; F158-W161 PolarHBondContact O-N 3.45Å; W161-K164 PolarHBondContact O-N 2.83Å; W161-M165 HydrophobicContact CD2-CG 4.07Å; W161-M165 VanDerWaalsContact CE2-CG 3.48Å; W161-M165 HydrophobicContact CG-CG 4.47Å; W161-M165 HydrophobicContact CH2-CG 4.22Å; W161-M165 HydrophobicContact CZ2-CG 3.59Å; W161-M165 HydrophobicContact CZ2-SD 4.43Å; W161-M165 WeakPolarHBondContact O-CG 3.37Å; W161-M165 PolarHBondContact O-N 3.3Å; W161-V474 HydrophobicContact CH2-CB 3.82Å; W161-V474 HydrophobicContact CH2-CG1 3.74Å; W161-V474 HydrophobicContact CZ3-CB 4.45Å; W161-V474 HydrophobicContact CZ3-CG1 4.01Å |
| 162 | K | 96.4 | Very high | 96 | Very high | 104 Ų | 104 | 86.7 Ų | 86.7 | 45% | 0.452 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 178.4 | 174.2 | -170.1 | 170.7 | -167.7 | 0 | 111.1 | F158 D159 M165 L166 | F158-K162 HydrophobicContact CE1-CD 4.17Å; F158-K162 WeakPolarHBondContact O-CB 3.47Å; F158-K162 PolarHBondContact O-N 3.06Å; D159-K162 PolarHBondContact O-N 2.89Å; K162-M165 PolarHBondContact O-N 3.3Å; K162-L166 WeakPolarHBondContact O-CB 3.37Å; K162-L166 PolarHBondContact O-N 3.42Å |
| 163 | E | 97.4 | Very high | 95.8 | Very high | 135 Ų | 135 | 86 Ų | 86 | 63% | 0.631 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -55.9 | -50.6 | 173.9 | -179.3 | 177.8 | -164.1 | 0 | 0 | 110.5 | D159 M165 L166 Q167 | D159-E163 WeakPolarHBondContact O-CB 3.43Å; D159-E163 PolarHBondContact O-N 3.32Å; E163-M165 PolarHBondContact O-N 3.45Å; E163-L166 PolarHBondContact O-N 2.86Å; E163-Q167 PolarHBondContact O-N 3.18Å |
| 164 | K | 96.7 | Very high | 95.8 | Very high | 110 Ų | 110 | 89.3 Ų | 89.3 | 48% | 0.478 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 177.5 | 178.3 | 169.2 | 167.7 | 51.7 | 0 | 113 | L160 W161 L166 Q167 D168 | L160-K164 WeakPolarHBondContact O-CB 3.38Å; L160-K164 PolarHBondContact O-N 2.93Å; W161-K164 PolarHBondContact O-N 2.83Å; K164-L166 VanDerWaalsContact C-N 3.3Å; K164-L166 PolarHBondContact O-N 2.67Å; K164-Q167 PolarHBondContact O-N 3.19Å; K164-D168 WeakPolarHBondContact CE-OD2 3.22Å; K164-D168 IonicContact NZ-OD1 2.69Å; K164-D168 PolarHBondContact NZ-OD1 2.83Å; K164-D168 IonicContact NZ-OD2 2.78Å; K164-D168 PolarHBondContact NZ-OD2 3.48Å; K164-D168 WeakPolarHBondContact O-CB 3.33Å; K164-D168 VanDerWaalsContact O-CG 3.25Å; K164-D168 PolarHBondContact O-N 3.43Å |
| 165 | M | 95.6 | Very high | 95.7 | Very high | 39 Ų | 39 | 87.6 Ų | 87.6 | 19% | 0.192 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.5 | -34.6 | 179 | -69.1 | -59.8 | 91.9 | 0 | 0 | 112.1 | W161 K162 E163 D168 T169 A475 | W161-M165 HydrophobicContact CD2-CG 4.07Å; W161-M165 VanDerWaalsContact CE2-CG 3.48Å; W161-M165 HydrophobicContact CG-CG 4.47Å; W161-M165 HydrophobicContact CH2-CG 4.22Å; W161-M165 HydrophobicContact CZ2-CG 3.59Å; W161-M165 HydrophobicContact CZ2-SD 4.43Å; W161-M165 WeakPolarHBondContact O-CG 3.37Å; W161-M165 PolarHBondContact O-N 3.3Å; K162-M165 PolarHBondContact O-N 3.3Å; E163-M165 PolarHBondContact O-N 3.45Å; M165-D168 WeakPolarHBondContact CE-OD2 3.39Å; M165-T169 VanDerWaalsContact O-CB 3.3Å; M165-T169 WeakPolarHBondContact O-CB 3.29Å; M165-T169 PolarHBondContact O-N 3.21Å; M165-T169 PolarHBondContact O-OG1 3.34Å; M165-A475 HydrophobicContact CB-CB 4.38Å; M165-A475 HydrophobicContact CG-CB 4.21Å; M165-A475 HydrophobicContact SD-CB 4Å |
| 166 | L | 96.4 | Very high | 95.6 | Very high | 79 Ų | 79 | 93.4 Ų | 93.4 | 41% | 0.414 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.3 | -42.7 | 175.8 | -153.5 | 70.1 | 0 | 0 | 0 | 111.2 | K162 E163 K164 T169 E170 L478 I482 | K162-L166 WeakPolarHBondContact O-CB 3.37Å; K162-L166 PolarHBondContact O-N 3.42Å; E163-L166 PolarHBondContact O-N 2.86Å; K164-L166 VanDerWaalsContact C-N 3.3Å; K164-L166 PolarHBondContact O-N 2.67Å; L166-T169 WeakPolarHBondContact O-CB 3.49Å; L166-T169 PolarHBondContact O-N 3.06Å; L166-E170 PolarHBondContact O-N 3.39Å; L166-L478 HydrophobicContact CD1-CD1 4.27Å; L166-L478 HydrophobicContact CD1-CD2 4.05Å; L166-I482 HydrophobicContact CD1-CD1 3.97Å |
| 167 | Q | 96.8 | Very high | 95.4 | Very high | 97 Ų | 97 | 94.1 Ų | 94.1 | 45% | 0.453 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.5 | -49 | 175.1 | -175.3 | 59.3 | 44.9 | 0 | 0 | 112.1 | E163 K164 T169 E170 D171 | E163-Q167 PolarHBondContact O-N 3.18Å; K164-Q167 PolarHBondContact O-N 3.19Å; Q167-T169 PolarHBondContact O-N 3.43Å; Q167-E170 WeakPolarHBondContact O-CB 3.46Å; Q167-E170 PolarHBondContact O-N 3.08Å; Q167-D171 PolarHBondContact NE2-OD1 2.9Å; Q167-D171 PolarHBondContact NE2-OD2 3.17Å; Q167-D171 PolarHBondContact O-N 2.7Å |
| 168 | D | 95.4 | Very high | 95.2 | Very high | 68 Ų | 68 | 93.7 Ų | 93.7 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.7 | -34.5 | 176.3 | -72.7 | -2.2 | 0 | 0 | 0 | 111.3 | K164 M165 K172 | K164-D168 WeakPolarHBondContact CE-OD2 3.22Å; K164-D168 IonicContact NZ-OD1 2.69Å; K164-D168 PolarHBondContact NZ-OD1 2.83Å; K164-D168 IonicContact NZ-OD2 2.78Å; K164-D168 PolarHBondContact NZ-OD2 3.48Å; K164-D168 WeakPolarHBondContact O-CB 3.33Å; K164-D168 VanDerWaalsContact O-CG 3.25Å; K164-D168 PolarHBondContact O-N 3.43Å; M165-D168 WeakPolarHBondContact CE-OD2 3.39Å; D168-K172 VanDerWaalsContact O-CB 3.23Å; D168-K172 WeakPolarHBondContact O-CB 3.49Å; D168-K172 PolarHBondContact O-N 2.9Å |
| 169 | T | 94.8 | Very high | 94.9 | Very high | 20 Ų | 20 | 92.3 Ų | 92.3 | 12% | 0.123 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -70.2 | -39.2 | 175.4 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | M165 L166 Q167 R173 I482 | M165-T169 VanDerWaalsContact O-CB 3.3Å; M165-T169 WeakPolarHBondContact O-CB 3.29Å; M165-T169 PolarHBondContact O-N 3.21Å; M165-T169 PolarHBondContact O-OG1 3.34Å; L166-T169 WeakPolarHBondContact O-CB 3.49Å; L166-T169 PolarHBondContact O-N 3.06Å; Q167-T169 PolarHBondContact O-N 3.43Å; T169-R173 PolarHBondContact O-N 2.88Å; T169-I482 HydrophobicContact CG2-CD1 4.2Å |
| 170 | E | 94.5 | Very high | 94.6 | Very high | 55 Ų | 55 | 95.5 Ų | 95.5 | 26% | 0.257 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.4 | -48.6 | 175.8 | -171.2 | 58.2 | -134 | 0 | 0 | 111.6 | L166 Q167 K172 R173 K174 | L166-E170 PolarHBondContact O-N 3.39Å; Q167-E170 WeakPolarHBondContact O-CB 3.46Å; Q167-E170 PolarHBondContact O-N 3.08Å; E170-K172 VanDerWaalsContact C-N 3.34Å; E170-K172 PolarHBondContact O-N 2.96Å; E170-R173 VanDerWaalsContact CD-NH1 3.28Å; E170-R173 WeakPolarHBondContact O-CA 3.33Å; E170-R173 WeakPolarHBondContact O-CB 3.5Å; E170-R173 PolarHBondContact O-N 3Å; E170-R173 IonicContact OE1-CZ 3.81Å; E170-R173 IonicContact OE1-NH1 3.8Å; E170-R173 PolarHBondContact OE1-NH1 3.2Å; E170-R173 IonicContact OE2-CZ 2.75Å; E170-R173 IonicContact OE2-NH1 3.7Å; E170-R173 PolarHBondContact OE2-NH1 3.33Å; E170-R173 IonicContact OE2-NH2 2.7Å; E170-R173 PolarHBondContact OE2-NH2 3.43Å; E170-K174 HydrophobicContact CG-CD 4.2Å; E170-K174 PolarHBondContact O-N 2.87Å; E170-K174 VanDerWaalsContact OE1-CE 3.27Å; E170-K174 WeakPolarHBondContact OE1-CE 3.48Å; E170-K174 IonicContact OE1-NZ 2.75Å |
| 171 | D | 95.3 | Very high | 94.2 | Very high | 73 Ų | 73 | 97.3 Ų | 97.3 | 39% | 0.39 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | -179.5 | -68.2 | -26.2 | 0 | 0 | 0 | 111.4 | Q167 R173 K174 E175 | Q167-D171 PolarHBondContact NE2-OD1 2.9Å; Q167-D171 PolarHBondContact NE2-OD2 3.17Å; Q167-D171 PolarHBondContact O-N 2.7Å; D171-R173 VanDerWaalsContact C-N 3.29Å; D171-R173 PolarHBondContact O-N 3.33Å; D171-K174 PolarHBondContact O-N 2.9Å; D171-E175 VanDerWaalsContact O-CB 3.29Å; D171-E175 WeakPolarHBondContact O-CB 3.31Å; D171-E175 PolarHBondContact O-N 2.91Å |
| 172 | K | 95 | Very high | 93.5 | Very high | 138 Ų | 138 | 98.5 Ų | 98.5 | 60% | 0.6 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.4 | -32.5 | 172.5 | -169.3 | 170.6 | -176 | 177.6 | 0 | 112.6 | D168 E170 K176 | D168-K172 VanDerWaalsContact O-CB 3.23Å; D168-K172 WeakPolarHBondContact O-CB 3.49Å; D168-K172 PolarHBondContact O-N 2.9Å; E170-K172 VanDerWaalsContact C-N 3.34Å; E170-K172 PolarHBondContact O-N 2.96Å; K172-K176 WeakPolarHBondContact O-CB 3.31Å; K172-K176 PolarHBondContact O-N 3.47Å |
| 173 | R | 91.7 | Very high | 92.8 | Very high | 50 Ų | 50 | 100.6 Ų | 100.6 | 19% | 0.189 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -71.9 | -46.3 | 174.7 | -161 | -171.6 | -42.9 | 118.9 | 30.9 | 111.6 | T169 E170 D171 K176 R177 | T169-R173 PolarHBondContact O-N 2.88Å; E170-R173 VanDerWaalsContact CD-NH1 3.28Å; E170-R173 WeakPolarHBondContact O-CA 3.33Å; E170-R173 WeakPolarHBondContact O-CB 3.5Å; E170-R173 PolarHBondContact O-N 3Å; E170-R173 IonicContact OE1-CZ 3.81Å; E170-R173 IonicContact OE1-NH1 3.8Å; E170-R173 PolarHBondContact OE1-NH1 3.2Å; E170-R173 IonicContact OE2-CZ 2.75Å; E170-R173 IonicContact OE2-NH1 3.7Å; E170-R173 PolarHBondContact OE2-NH1 3.33Å; E170-R173 IonicContact OE2-NH2 2.7Å; E170-R173 PolarHBondContact OE2-NH2 3.43Å; D171-R173 VanDerWaalsContact C-N 3.29Å; D171-R173 PolarHBondContact O-N 3.33Å; R173-K176 PolarHBondContact O-N 2.89Å; R173-R177 PolarHBondContact O-N 3.49Å |
| 174 | K | 95.7 | Very high | 91.6 | Very high | 113 Ų | 113 | 102.8 Ų | 102.8 | 49% | 0.491 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 177 | -72.3 | 171.2 | 178.7 | 164.4 | 0 | 111.6 | E170 D171 K176 R177 R178 | E170-K174 HydrophobicContact CG-CD 4.2Å; E170-K174 PolarHBondContact O-N 2.87Å; E170-K174 VanDerWaalsContact OE1-CE 3.27Å; E170-K174 WeakPolarHBondContact OE1-CE 3.48Å; E170-K174 IonicContact OE1-NZ 2.75Å; D171-K174 PolarHBondContact O-N 2.9Å; K174-K176 PolarHBondContact O-N 3.41Å; K174-R177 WeakPolarHBondContact O-CB 3.49Å; K174-R177 PolarHBondContact O-N 3.24Å; K174-R177 VanDerWaalsContact O-N 3.16Å; K174-R178 PolarHBondContact O-N 3.31Å |
| 175 | E | 93.8 | Very high | 90.4 | Very high | 66 Ų | 66 | 101.4 Ų | 101.4 | 31% | 0.308 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 176.3 | 177.9 | 56.4 | -167 | 0 | 0 | 112.1 | D171 R177 R178 Q179 | D171-E175 VanDerWaalsContact O-CB 3.29Å; D171-E175 WeakPolarHBondContact O-CB 3.31Å; D171-E175 PolarHBondContact O-N 2.91Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 3.19Å; E175-R178 VanDerWaalsContact CD-NH2 3.32Å; E175-R178 PolarHBondContact O-N 3.26Å; E175-R178 IonicContact OE1-NH2 2.71Å; E175-R178 PolarHBondContact OE1-NH2 3.39Å; E175-R178 IonicContact OE2-CZ 3.18Å; E175-R178 IonicContact OE2-NE 3.42Å; E175-R178 PolarHBondContact OE2-NE 3.31Å; E175-R178 IonicContact OE2-NH2 3.54Å; E175-R178 PolarHBondContact OE2-NH2 3.04Å; E175-Q179 WeakPolarHBondContact O-CG 3.48Å; E175-Q179 PolarHBondContact O-N 3.31Å; E175-Q179 WeakPolarHBondContact OE1-CG 3.31Å; E175-Q179 PolarHBondContact OE1-NE2 2.85Å |
| 176 | K | 93.3 | Very high | 88.9 | Confident | 162 Ų | 162 | 102.6 Ų | 102.6 | 70% | 0.704 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62 | -38.6 | 174 | -173.4 | -177.1 | 177.5 | -171.4 | 0 | 112.3 | K172 R173 K174 K180 | K172-K176 WeakPolarHBondContact O-CB 3.31Å; K172-K176 PolarHBondContact O-N 3.47Å; R173-K176 PolarHBondContact O-N 2.89Å; K174-K176 PolarHBondContact O-N 3.41Å; K176-K180 PolarHBondContact O-N 2.94Å |
| 177 | R | 91.6 | Very high | 87 | Confident | 145 Ų | 145 | 101.1 Ų | 101.1 | 55% | 0.547 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.1 | -50.4 | 173.2 | -74.7 | -178.7 | 168 | -177.2 | -7.4 | 110.6 | R173 K174 E175 Q179 K180 E181 D490 | R173-R177 PolarHBondContact O-N 3.49Å; K174-R177 WeakPolarHBondContact O-CB 3.49Å; K174-R177 PolarHBondContact O-N 3.24Å; K174-R177 VanDerWaalsContact O-N 3.16Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 3.19Å; R177-Q179 VanDerWaalsContact C-N 3.34Å; R177-Q179 PolarHBondContact O-N 3.13Å; R177-K180 WeakPolarHBondContact O-CB 3.44Å; R177-K180 PolarHBondContact O-N 3.18Å; R177-E181 PolarHBondContact O-N 2.98Å; R177-D490 IonicContact NH2-OD2 3.24Å |
| 178 | R | 92.9 | Very high | 85.2 | Confident | 154 Ų | 154 | 102 Ų | 102 | 58% | 0.581 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -57.2 | -41.1 | 177.3 | -168 | 177.9 | 70.8 | 127.8 | 5.5 | 113 | K174 E175 E181 Q182 | K174-R178 PolarHBondContact O-N 3.31Å; E175-R178 VanDerWaalsContact CD-NH2 3.32Å; E175-R178 PolarHBondContact O-N 3.26Å; E175-R178 IonicContact OE1-NH2 2.71Å; E175-R178 PolarHBondContact OE1-NH2 3.39Å; E175-R178 IonicContact OE2-CZ 3.18Å; E175-R178 IonicContact OE2-NE 3.42Å; E175-R178 PolarHBondContact OE2-NE 3.31Å; E175-R178 IonicContact OE2-NH2 3.54Å; E175-R178 PolarHBondContact OE2-NH2 3.04Å; R178-E181 PolarHBondContact O-N 3.14Å; R178-Q182 WeakPolarHBondContact O-CB 2.94Å; R178-Q182 PolarHBondContact O-N 3.1Å |
| 179 | Q | 89.8 | Confident | 83.1 | Confident | 85 Ų | 85 | 104 Ų | 104 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.8 | -32.8 | 175.5 | -72.1 | -176.6 | 24.4 | 0 | 0 | 113.5 | E175 R177 K183 | E175-Q179 WeakPolarHBondContact O-CG 3.48Å; E175-Q179 PolarHBondContact O-N 3.31Å; E175-Q179 WeakPolarHBondContact OE1-CG 3.31Å; E175-Q179 PolarHBondContact OE1-NE2 2.85Å; R177-Q179 VanDerWaalsContact C-N 3.34Å; R177-Q179 PolarHBondContact O-N 3.13Å; Q179-K183 WeakPolarHBondContact O-CB 3.48Å; Q179-K183 WeakPolarHBondContact O-CD 3.4Å; Q179-K183 VanDerWaalsContact O-CG 3.23Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; Q179-K183 PolarHBondContact O-N 2.93Å; Q179-K183 VanDerWaalsContact O-N 3.11Å |
| 180 | K | 90.1 | Very high | 81.2 | Confident | 139 Ų | 139 | 111.5 Ų | 111.5 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -41.9 | 173.8 | -176 | -175.6 | 177.1 | -172.6 | 0 | 110.4 | K176 R177 R184 | K176-K180 PolarHBondContact O-N 2.94Å; R177-K180 WeakPolarHBondContact O-CB 3.44Å; R177-K180 PolarHBondContact O-N 3.18Å; K180-R184 PolarHBondContact O-N 3.01Å; K180-R184 VanDerWaalsContact O-N 3.13Å |
| 181 | E | 87.4 | Confident | 79.1 | Confident | 121 Ų | 121 | 117 Ų | 117 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.7 | -49.9 | 176.4 | -174.7 | 175.1 | -165.9 | 0 | 0 | 112.1 | R177 R178 K183 R184 I185 | R177-E181 PolarHBondContact O-N 2.98Å; R178-E181 PolarHBondContact O-N 3.14Å; E181-K183 PolarHBondContact O-N 3.36Å; E181-R184 WeakPolarHBondContact O-CA 3.45Å; E181-R184 WeakPolarHBondContact O-CB 3.41Å; E181-R184 PolarHBondContact O-N 2.89Å; E181-I185 HydrophobicContact CG-CD1 4.03Å; E181-I185 WeakPolarHBondContact O-CG1 3.44Å; E181-I185 PolarHBondContact O-N 3.29Å |
| 182 | Q | 82.9 | Confident | 77 | Confident | 115 Ų | 115 | 120.2 Ų | 120.2 | 54% | 0.537 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -57.3 | -35.9 | 176.3 | -170.5 | 64.1 | 58.8 | 0 | 0 | 112.3 | R178 D186 | R178-Q182 WeakPolarHBondContact O-CB 2.94Å; R178-Q182 PolarHBondContact O-N 3.1Å; Q182-D186 VanDerWaalsContact O-CB 3.29Å; Q182-D186 WeakPolarHBondContact O-CB 3.24Å; Q182-D186 PolarHBondContact O-N 3.09Å |
| 183 | K | 81.1 | Confident | 75.1 | Confident | 149 Ų | 149 | 122.4 Ų | 122.4 | 65% | 0.648 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.2 | -29.2 | 173.8 | -76.1 | 172.4 | -177.8 | 173.9 | 0 | 113.5 | Q179 E181 G187 | Q179-K183 WeakPolarHBondContact O-CB 3.48Å; Q179-K183 WeakPolarHBondContact O-CD 3.4Å; Q179-K183 VanDerWaalsContact O-CG 3.23Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; Q179-K183 PolarHBondContact O-N 2.93Å; Q179-K183 VanDerWaalsContact O-N 3.11Å; E181-K183 PolarHBondContact O-N 3.36Å; K183-G187 PolarHBondContact O-N 3.22Å |
| 184 | R | 73.9 | Confident | 73.6 | Confident | 180 Ų | 180 | 128.9 Ų | 128.9 | 68% | 0.679 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.9 | -46 | 170.9 | -76.7 | -176.6 | 167.2 | -142.4 | -3.4 | 110.7 | K180 E181 G187 T188 | K180-R184 PolarHBondContact O-N 3.01Å; K180-R184 VanDerWaalsContact O-N 3.13Å; E181-R184 WeakPolarHBondContact O-CA 3.45Å; E181-R184 WeakPolarHBondContact O-CB 3.41Å; E181-R184 PolarHBondContact O-N 2.89Å; R184-G187 CarbonylContact O-C 3.57Å; R184-G187 WeakPolarHBondContact O-CA 3.36Å; R184-G187 PolarHBondContact O-N 2.87Å; R184-T188 PolarHBondContact O-N 3.49Å; R184-T188 PolarHBondContact O-OG1 3.1Å |
| 185 | I | 71.6 | Confident | 71.6 | Confident | 82 Ų | 82 | 129.8 Ų | 129.8 | 42% | 0.421 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.6 | -49.2 | 179.7 | -62.5 | 168.6 | 0 | 0 | 0 | 111.1 | E181 G187 T188 T189 | E181-I185 HydrophobicContact CG-CD1 4.03Å; E181-I185 WeakPolarHBondContact O-CG1 3.44Å; E181-I185 PolarHBondContact O-N 3.29Å; I185-G187 VanDerWaalsContact C-N 3.25Å; I185-G187 PolarHBondContact O-N 2.76Å; I185-T188 WeakPolarHBondContact CA-OG1 3.4Å; I185-T188 PolarHBondContact O-N 3.13Å; I185-T188 PolarHBondContact O-OG1 2.82Å; I185-T189 PolarHBondContact O-N 2.9Å; I185-T189 PolarHBondContact O-OG1 3.33Å |
| 186 | D | 62.2 | Low | 69.9 | Low | 63 Ų | 63 | 137.7 Ų | 137.7 | 34% | 0.337 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -62.3 | -33.4 | 173.6 | -179.6 | 49.7 | 0 | 0 | 0 | 111.9 | Q182 T188 T189 R190 | Q182-D186 VanDerWaalsContact O-CB 3.29Å; Q182-D186 WeakPolarHBondContact O-CB 3.24Å; Q182-D186 PolarHBondContact O-N 3.09Å; D186-T188 VanDerWaalsContact C-N 3.29Å; D186-T188 PolarHBondContact O-N 3.29Å; D186-T189 PolarHBondContact O-N 3Å; D186-R190 WeakPolarHBondContact O-CG 3.17Å; D186-R190 PolarHBondContact O-N 3.34Å; D186-R190 IonicContact OD1-NE 3.18Å; D186-R190 PolarHBondContact OD1-NE 2.93Å; D186-R190 IonicContact OD1-NH2 3.97Å; D186-R190 IonicContact OD2-CZ 2.87Å; D186-R190 IonicContact OD2-NE 3.42Å; D186-R190 PolarHBondContact OD2-NE 3.04Å; D186-R190 IonicContact OD2-NH2 3.19Å; D186-R190 PolarHBondContact OD2-NH2 3.24Å |
| 187 | G | 58.3 | Low | 68.3 | Low | 49 Ų | 49 | 139.4 Ų | 139.4 | 51% | 0.505 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -64.2 | -27.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K183 R184 I185 | K183-G187 PolarHBondContact O-N 3.22Å; R184-G187 CarbonylContact O-C 3.57Å; R184-G187 WeakPolarHBondContact O-CA 3.36Å; R184-G187 PolarHBondContact O-N 2.87Å; I185-G187 VanDerWaalsContact C-N 3.25Å; I185-G187 PolarHBondContact O-N 2.76Å |
| 188 | T | 58.3 | Low | 66.6 | Low | 116 Ų | 116 | 136.7 Ų | 136.7 | 71% | 0.712 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -87.2 | -22.4 | 172.7 | 39.8 | 0 | 0 | 0 | 0 | 114.2 | R184 I185 D186 | R184-T188 PolarHBondContact O-N 3.49Å; R184-T188 PolarHBondContact O-OG1 3.1Å; I185-T188 WeakPolarHBondContact CA-OG1 3.4Å; I185-T188 PolarHBondContact O-N 3.13Å; I185-T188 PolarHBondContact O-OG1 2.82Å; D186-T188 VanDerWaalsContact C-N 3.29Å; D186-T188 PolarHBondContact O-N 3.29Å |
| 189 | T | 51.6 | Low | 65.1 | Low | 110 Ų | 110 | 138.6 Ų | 138.6 | 68% | 0.675 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -90.8 | -27 | 179.3 | -50.2 | 0 | 0 | 0 | 0 | 113.2 | I185 D186 E191 | I185-T189 PolarHBondContact O-N 2.9Å; I185-T189 PolarHBondContact O-OG1 3.33Å; D186-T189 PolarHBondContact O-N 3Å; T189-E191 PolarHBondContact O-N 3.14Å |
| 190 | R | 53.8 | Low | 64 | Low | 176 Ų | 176 | 140.4 Ų | 140.4 | 66% | 0.664 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -62.8 | 112.2 | 164.5 | -70.5 | 174.6 | -164.6 | -134.1 | 5.3 | 107.8 | D186 | D186-R190 WeakPolarHBondContact O-CG 3.17Å; D186-R190 PolarHBondContact O-N 3.34Å; D186-R190 IonicContact OD1-NE 3.18Å; D186-R190 PolarHBondContact OD1-NE 2.93Å; D186-R190 IonicContact OD1-NH2 3.97Å; D186-R190 IonicContact OD2-CZ 2.87Å; D186-R190 IonicContact OD2-NE 3.42Å; D186-R190 PolarHBondContact OD2-NE 3.04Å; D186-R190 IonicContact OD2-NH2 3.19Å; D186-R190 PolarHBondContact OD2-NH2 3.24Å |
| 191 | E | 50.1 | Low | 63 | Low | 171 Ų | 171 | 140.7 Ų | 140.7 | 80% | 0.799 | 68% | 0.676 | S | S | * | * | trans | -8.4 | 147.9 | 177.8 | -62.8 | -179.1 | 117.9 | 0 | 0 | 117 | T189 K193 | T189-E191 PolarHBondContact O-N 3.14Å; E191-K193 WeakPolarHBondContact O-CA 3.4Å; E191-K193 PolarHBondContact O-N 3Å | ||
| 192 | V | 52.9 | Low | 62.3 | Low | 141 Ų | 141 | 144 Ų | 144 | 86% | 0.855 | 68% | 0.683 | S | S | * | * | trans | -49.4 | 88.2 | 153 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | K194 | V192-K194 PolarHBondContact O-N 3.3Š| ||
| 193 | K | 55.1 | Low | 61.6 | Low | 184 Ų | 184 | 146 Ų | 146 | 80% | 0.8 | 69% | 0.693 | S | S | * | * | trans | -76.7 | 82.1 | -172.4 | -177.8 | 174.4 | -175.2 | 172.2 | 0 | 105.3 | E191 V195 | E191-K193 WeakPolarHBondContact O-CA 3.4Å; E191-K193 PolarHBondContact O-N 3Å; K193-V195 PolarHBondContact O-N 3.42Å | ||
| 194 | K | 60.1 | Low | 61.2 | Low | 185 Ų | 185 | 141.3 Ų | 141.3 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -29.7 | 102.6 | -172.6 | -69.1 | 178.2 | -178.8 | 174.1 | 0 | 107.6 | V192 R196 | V192-K194 PolarHBondContact O-N 3.3Å; K194-R196 PolarHBondContact O-N 2.95Å | ||
| 195 | V | 52.3 | Low | 61.2 | Low | 132 Ų | 132 | 140.9 Ų | 140.9 | 80% | 0.8 | 67% | 0.672 | S | S | * | * | trans | -49.5 | 117.1 | -175.7 | 173.1 | 0 | 0 | 0 | 0 | 104.7 | K193 K197 | K193-V195 PolarHBondContact O-N 3.42Å; V195-K197 PolarHBondContact O-N 2.84Å | ||
| 196 | R | 58.3 | Low | 61.3 | Low | 233 Ų | 233 | 141.4 Ų | 141.4 | 88% | 0.879 | 68% | 0.675 | S | S | * | * | trans | -60.1 | 100.6 | 178.3 | -91.4 | -169.2 | 170.8 | 105.9 | -2.5 | 104.8 | K194 A198 | K194-R196 PolarHBondContact O-N 2.95Å; R196-A198 PolarHBondContact O-N 2.99Å | ||
| 197 | K | 60 | Low | 61.7 | Low | 198 Ų | 198 | 142.2 Ų | 142.2 | 86% | 0.861 | 68% | 0.678 | S | S | * | * | trans | -46.6 | 113.5 | -171.7 | -172.5 | 176.7 | -174.2 | 176.8 | 0 | 106.2 | V195 R199 | V195-K197 PolarHBondContact O-N 2.84Å; K197-R199 PolarHBondContact O-N 3.35Å | ||
| 198 | A | 56.1 | Low | 62.1 | Low | 87 Ų | 87 | 145.1 Ų | 145.1 | 72% | 0.719 | 68% | 0.68 | S | S | * | * | trans | -51 | 113.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | R196 N200 | R196-A198 PolarHBondContact O-N 2.99Å; A198-N200 PolarHBondContact O-N 2.89Å | ||
| 199 | R | 61 | Low | 62.8 | Low | 195 Ų | 195 | 143.5 Ų | 143.5 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | trans | -60.9 | 107.4 | -171 | 177.1 | 177.3 | 174.2 | 155 | -1.4 | 106.6 | K197 R201 E204 | K197-R199 PolarHBondContact O-N 3.35Å; R199-R201 VanDerWaalsContact C-N 3.25Å; R199-R201 PolarHBondContact O-N 3.24Å; R199-E204 IonicContact CZ-OE1 3.09Å; R199-E204 IonicContact NE-OE1 2.68Å; R199-E204 PolarHBondContact NE-OE1 2.9Å; R199-E204 IonicContact NH2-OE1 2.72Å; R199-E204 PolarHBondContact NH2-OE1 3.3Å | ||
| 200 | N | 66.6 | Low | 63.5 | Low | 122 Ų | 122 | 144.3 Ų | 144.3 | 65% | 0.652 | 67% | 0.67 | S | S | * | * | trans | -72.1 | 87.4 | -171.2 | -170.8 | -15.5 | 0 | 0 | 0 | 108.9 | A198 R202 | A198-N200 PolarHBondContact O-N 2.89Å; N200-R202 PolarHBondContact O-N 3.42Å; N200-R202 WeakPolarHBondContact OD1-CB 3.33Å; N200-R202 PolarHBondContact OD1-N 2.88Å | ||
| 201 | R | 68.5 | Low | 63.6 | Low | 146 Ų | 146 | 142 Ų | 142 | 55% | 0.551 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -4.7 | -175.6 | -150.5 | -179.4 | -69.2 | -142.8 | 4.5 | 112.3 | R199 Q203 E204 W205 | R199-R201 VanDerWaalsContact C-N 3.25Å; R199-R201 PolarHBondContact O-N 3.24Å; R201-Q203 PolarHBondContact O-N 2.91Å; R201-E204 HydrophobicContact CG-CB 3.92Å; R201-E204 VanDerWaalsContact CG-OE2 3.29Å; R201-E204 WeakPolarHBondContact CG-OE2 3.38Å; R201-E204 PolarHBondContact O-N 3.36Å; R201-E204 VanDerWaalsContact O-N 3.1Å; R201-W205 PolarHBondContact O-N 3.04Å |
| 202 | R | 72.6 | Confident | 64 | Low | 189 Ų | 189 | 143.1 Ų | 143.1 | 71% | 0.713 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -53.5 | -36.7 | 174.5 | -175.5 | 176.5 | -70.3 | -88.2 | 1.2 | 112.1 | N200 N206 | N200-R202 PolarHBondContact O-N 3.42Å; N200-R202 WeakPolarHBondContact OD1-CB 3.33Å; N200-R202 PolarHBondContact OD1-N 2.88Å; R202-N206 WeakPolarHBondContact O-CB 3.45Å; R202-N206 PolarHBondContact O-N 3.44Å |
| 203 | Q | 68.6 | Low | 64.3 | Low | 159 Ų | 159 | 145.3 Ų | 145.3 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -72.3 | -37.5 | 179.8 | -150.3 | 171 | 12.7 | 0 | 0 | 111.9 | R201 M207 | R201-Q203 PolarHBondContact O-N 2.91Å; Q203-M207 VanDerWaalsContact O-CB 3.3Å; Q203-M207 WeakPolarHBondContact O-CB 3.49Å; Q203-M207 PolarHBondContact O-N 3.16Å |
| 204 | E | 72.6 | Confident | 64.4 | Low | 49 Ų | 49 | 143 Ų | 143 | 23% | 0.229 | 67% | 0.669 | C | S | . | * | H | α-helix | trans | -66.6 | -46.8 | 171.7 | -76.1 | 165.8 | -147 | 0 | 0 | 111.8 | R199 R201 M207 M208 | R199-E204 IonicContact CZ-OE1 3.09Å; R199-E204 IonicContact NE-OE1 2.68Å; R199-E204 PolarHBondContact NE-OE1 2.9Å; R199-E204 IonicContact NH2-OE1 2.72Å; R199-E204 PolarHBondContact NH2-OE1 3.3Å; R201-E204 HydrophobicContact CG-CB 3.92Å; R201-E204 VanDerWaalsContact CG-OE2 3.29Å; R201-E204 WeakPolarHBondContact CG-OE2 3.38Å; R201-E204 PolarHBondContact O-N 3.36Å; R201-E204 VanDerWaalsContact O-N 3.1Å; E204-M207 PolarHBondContact O-N 3.03Å; E204-M208 HydrophobicContact CB-CE 4.48Å; E204-M208 VanDerWaalsContact O-CG 3.3Å; E204-M208 WeakPolarHBondContact O-CG 3.29Å; E204-M208 PolarHBondContact O-N 3.07Å |
| 205 | W | 73.9 | Confident | 64.5 | Low | 171 Ų | 171 | 138.9 Ų | 138.9 | 65% | 0.648 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -62.8 | -42.3 | 177.1 | -76.7 | 118 | 0 | 0 | 0 | 112.6 | R201 M207 M208 A209 | R201-W205 PolarHBondContact O-N 3.04Å; W205-M207 VanDerWaalsContact C-N 3.34Å; W205-M208 CarbonylContact O-C 3.52Å; W205-M208 PolarHBondContact O-N 2.85Å; W205-A209 WeakPolarHBondContact O-CB 3.23Å; W205-A209 PolarHBondContact O-N 2.86Å |
| 206 | N | 73.8 | Confident | 64.7 | Low | 94 Ų | 94 | 137.5 Ų | 137.5 | 50% | 0.503 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.6 | -42.6 | 175.1 | -167.2 | -1.4 | 0 | 0 | 0 | 110.4 | R202 M208 A209 Y210 | R202-N206 WeakPolarHBondContact O-CB 3.45Å; R202-N206 PolarHBondContact O-N 3.44Å; N206-M208 VanDerWaalsContact C-N 3.3Å; N206-M208 PolarHBondContact O-N 2.87Å; N206-A209 WeakPolarHBondContact O-CB 3.37Å; N206-A209 PolarHBondContact O-N 3.39Å; N206-A209 VanDerWaalsContact O-N 3.07Å; N206-Y210 VanDerWaalsContact O-CD2 3.29Å; N206-Y210 WeakPolarHBondContact O-CD2 3.36Å; N206-Y210 PolarHBondContact O-N 3.11Å |
| 207 | M | 71.9 | Confident | 64.2 | Low | 79 Ų | 79 | 131.9 Ų | 131.9 | 39% | 0.389 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.3 | -30.2 | 175.7 | -149 | -161.3 | -48.7 | 0 | 0 | 112.9 | Q203 E204 W205 R215 | Q203-M207 VanDerWaalsContact O-CB 3.3Å; Q203-M207 WeakPolarHBondContact O-CB 3.49Å; Q203-M207 PolarHBondContact O-N 3.16Å; E204-M207 PolarHBondContact O-N 3.03Å; W205-M207 VanDerWaalsContact C-N 3.34Å; M207-R215 HydrophobicContact CG-CG 4.05Å; M207-R215 VanDerWaalsContact CG-NE 3.35Å; M207-R215 PolarHBondContact O-NE 3.05Å; M207-R215 PolarHBondContact O-NH1 3.33Å; M207-R215 PolarHBondContact SD-NE 2.75Å; M207-R215 PolarHBondContact SD-NH2 2.7Å |
| 208 | M | 66.9 | Low | 63.7 | Low | 111 Ų | 111 | 129.3 Ų | 129.3 | 55% | 0.547 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -79.1 | -15.8 | 171.2 | -68.5 | 177.1 | -163.4 | 0 | 0 | 114.1 | E204 W205 N206 | E204-M208 HydrophobicContact CB-CE 4.48Å; E204-M208 VanDerWaalsContact O-CG 3.3Å; E204-M208 WeakPolarHBondContact O-CG 3.29Å; E204-M208 PolarHBondContact O-N 3.07Å; W205-M208 CarbonylContact O-C 3.52Å; W205-M208 PolarHBondContact O-N 2.85Å; N206-M208 VanDerWaalsContact C-N 3.3Å; N206-M208 PolarHBondContact O-N 2.87Å |
| 209 | A | 71.8 | Confident | 63.2 | Low | 82 Ų | 82 | 134.5 Ų | 134.5 | 68% | 0.678 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -83.6 | -13.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | W205 N206 | W205-A209 WeakPolarHBondContact O-CB 3.23Å; W205-A209 PolarHBondContact O-N 2.86Å; N206-A209 WeakPolarHBondContact O-CB 3.37Å; N206-A209 PolarHBondContact O-N 3.39Å; N206-A209 VanDerWaalsContact O-N 3.07Å |
| 210 | Y | 66 | Low | 62.7 | Low | 126 Ų | 126 | 133.6 Ų | 133.6 | 49% | 0.494 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -72.9 | 131 | 164.1 | -78 | -87.5 | 0 | 0 | 0 | 110 | N206 L214 | N206-Y210 VanDerWaalsContact O-CD2 3.29Å; N206-Y210 WeakPolarHBondContact O-CD2 3.36Å; N206-Y210 PolarHBondContact O-N 3.11Å; Y210-L214 HydrophobicContact CD1-CB 4.45Å |
| 211 | D | 57.4 | Low | 61.3 | Low | 127 Ų | 127 | 132.2 Ų | 132.2 | 68% | 0.679 | 64% | 0.635 | S | S | * | * | trans | -62.5 | 154.8 | 171.7 | -163.1 | 11.9 | 0 | 0 | 0 | 110.9 | E213 L214 | D211-E213 PolarHBondContact O-N 2.94Å; D211-L214 PolarHBondContact O-N 2.9Å | ||
| 212 | K | 57.3 | Low | 59.8 | Low | 196 Ų | 196 | 134.4 Ų | 134.4 | 85% | 0.852 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -16.3 | -156.7 | -144.5 | 169 | -176.9 | 179.5 | 0 | 114.6 | ||
| 213 | E | 59.2 | Low | 57.9 | Low | 186 Ų | 186 | 130.5 Ų | 130.5 | 87% | 0.869 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -10.2 | -177.3 | -53.6 | -169.5 | 178 | 0 | 0 | 113.8 | D211 | D211-E213 PolarHBondContact O-N 2.94Š|
| 214 | L | 56.8 | Low | 56.4 | Low | 135 Ų | 135 | 128 Ų | 128 | 71% | 0.707 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -114.8 | 7.5 | -176 | -70.3 | 173.4 | 0 | 0 | 0 | 114.1 | Y210 D211 | Y210-L214 HydrophobicContact CD1-CB 4.45Å; D211-L214 PolarHBondContact O-N 2.9Å |
| 215 | R | 63.8 | Low | 54.6 | Low | 100 Ų | 100 | 136.4 Ų | 136.4 | 38% | 0.377 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -77.2 | 131.7 | 178.2 | -163.4 | 178.2 | -173.5 | 131.2 | -2.5 | 110.1 | M207 D217 | M207-R215 HydrophobicContact CG-CG 4.05Å; M207-R215 VanDerWaalsContact CG-NE 3.35Å; M207-R215 PolarHBondContact O-NE 3.05Å; M207-R215 PolarHBondContact O-NH1 3.33Å; M207-R215 PolarHBondContact SD-NE 2.75Å; M207-R215 PolarHBondContact SD-NH2 2.7Å; R215-D217 PolarHBondContact O-N 3.13Å; R215-D217 VanDerWaalsContact O-N 3.07Å |
| 216 | P | 55.9 | Low | 52.8 | Low | 103 Ų | 103 | 137.6 Ų | 137.6 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | trans | -59 | 116.1 | 175.5 | -24.1 | 34 | 0 | 0 | 0 | 110.8 | N218 | P216-N218 PolarHBondContact O-N 3.21Š| ||
| 217 | D | 47.2 | Very low | 50.7 | Low | 114 Ų | 114 | 136.3 Ų | 136.3 | 61% | 0.61 | 70% | 0.701 | S | S | * | * | trans | -73 | 109.5 | -174.5 | -150.9 | -4 | 0 | 0 | 0 | 109 | R215 R219 | R215-D217 PolarHBondContact O-N 3.13Å; R215-D217 VanDerWaalsContact O-N 3.07Å; D217-R219 HydrophobicContact CB-CG 4.48Å; D217-R219 PolarHBondContact O-N 3.02Å; D217-R219 IonicContact OD1-NE 3.47Å; D217-R219 WeakPolarHBondContact OD2-CD 3.39Å; D217-R219 IonicContact OD2-CZ 3.18Å; D217-R219 IonicContact OD2-NE 3.8Å; D217-R219 PolarHBondContact OD2-NE 3.2Å; D217-R219 IonicContact OD2-NH2 3.93Å | ||
| 218 | N | 50.8 | Low | 48.8 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | -78.1 | 43.8 | -178.3 | -159.1 | 99.1 | 0 | 0 | 0 | 111.6 | P216 L220 | P216-N218 PolarHBondContact O-N 3.21Å; N218-L220 PolarHBondContact O-N 2.72Å | ||
| 219 | R | 45.5 | Very low | 47.3 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -83.5 | 81.1 | 171.2 | -65.9 | -175.4 | -167.4 | -146.5 | 3.1 | 109.4 | D217 | D217-R219 HydrophobicContact CB-CG 4.48Å; D217-R219 PolarHBondContact O-N 3.02Å; D217-R219 IonicContact OD1-NE 3.47Å; D217-R219 WeakPolarHBondContact OD2-CD 3.39Å; D217-R219 IonicContact OD2-CZ 3.18Å; D217-R219 IonicContact OD2-NE 3.8Å; D217-R219 PolarHBondContact OD2-NE 3.2Å; D217-R219 IonicContact OD2-NH2 3.93Å | ||
| 220 | L | 50.2 | Low | 45.4 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 92% | 0.916 | 73% | 0.728 | S | S | * | * | trans | -176.7 | 56.6 | 155.8 | -101.1 | 157 | 0 | 0 | 0 | 113 | N218 | N218-L220 PolarHBondContact O-N 2.72Š| ||
| 221 | S | 37.5 | Very low | 43.9 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -157.3 | 94.5 | 156.1 | 61.7 | 0 | 0 | 0 | 0 | 111.8 | ||
| 222 | Q | 37.1 | Very low | 42.7 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | trans | 60.8 | 117.3 | 171.3 | -75.3 | 174.6 | -4.2 | 0 | 0 | 115.6 | ||||
| 223 | S | 31 | Very low | 41.6 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | cis | 53.2 | 111.2 | 32.2 | -150.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 224 | V | 38 | Very low | 40.3 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 66% | 0.655 | 75% | 0.747 | S | S | * | * | cis | -145.1 | 163.6 | 40 | -166.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 225 | Y | 34.3 | Very low | 39 | Very low | 224 Ų | 224 | 132 Ų | 132 | 88% | 0.878 | 75% | 0.751 | S | S | * | * | trans | 83.7 | 80.7 | 170.1 | -58.5 | -73 | 0 | 0 | 0 | 118.2 | ||||
| 226 | H | 35.9 | Very low | 38.9 | Very low | 197 Ų | 197 | 132 Ų | 132 | 91% | 0.912 | 76% | 0.764 | S | S | * | * | trans | -105.6 | 141.5 | 152.8 | -135.2 | -47.8 | 0 | 0 | 0 | 108.3 | ||||
| 227 | G | 30.1 | Very low | 37.8 | Very low | 67 Ų | 67 | 133.6 Ų | 133.6 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | trans | -153.3 | 123.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 228 | A | 32.9 | Very low | 37 | Very low | 85 Ų | 85 | 134 Ų | 134 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | trans | 62.5 | 122.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 229 | S | 33.8 | Very low | 36.1 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | 72.4 | 139.1 | 65.5 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 230 | S | 32.9 | Very low | 35.4 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | cis | -159.5 | 160.4 | -4.1 | -162.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 231 | E | 34.4 | Very low | 34.6 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | 54.9 | 152.6 | 148.5 | -76.8 | 159.9 | 121.2 | 0 | 0 | 125 | ||||
| 232 | G | 31.1 | Very low | 34.2 | Very low | 67 Ų | 67 | 133.9 Ų | 133.9 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 82.8 | 101.7 | 152 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 233 | S | 35.4 | Very low | 34.2 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | 71.2 | 139 | 66.7 | -64.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 234 | L | 32.1 | Very low | 34.3 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | 96.5 | 122.5 | 163.6 | -50.6 | -174.8 | 0 | 0 | 0 | 119.6 | ||||
| 235 | S | 29.7 | Very low | 34 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -87.4 | -176.9 | 152.5 | -117 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 236 | P | 62 | Low | 34.1 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | cis | -133.1 | -167.3 | -28.8 | 33.1 | -12.2 | 0 | 0 | 0 | 112.5 | ||||
| 237 | D | 31.6 | Very low | 33.8 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 79.4 | 121 | 145.7 | -81.2 | -44.2 | 0 | 0 | 0 | 124.9 | ||||
| 238 | T | 30.7 | Very low | 33.9 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | 75.9 | 136 | 136.9 | 66.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 239 | R | 32.1 | Very low | 33.8 | Very low | 231 Ų | 231 | 132 Ų | 132 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | 82.2 | 93.9 | 139.8 | -119.5 | 167.9 | -170.3 | -160.4 | 2.4 | 122.1 | ||||
| 240 | S | 30.2 | Very low | 33.7 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | 81.5 | 138.7 | 118.4 | -67.9 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 241 | H | 33.5 | Very low | 34.3 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | 68.6 | 109.1 | 153.5 | -78.6 | -70.2 | 0 | 0 | 0 | 120.9 | ||||
| 242 | A | 30.3 | Very low | 34.3 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | -153 | 136.5 | 122.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 243 | S | 36.3 | Very low | 34.5 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -74.8 | 178.3 | 167.6 | -46.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 244 | D | 33.1 | Very low | 34.7 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | cis | -169.5 | -171.7 | 25.6 | -159.7 | -12.1 | 0 | 0 | 0 | 109.1 | ||||
| 245 | V | 32.4 | Very low | 34.7 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | trans | 74.7 | 119.7 | 163.2 | 172.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 246 | T | 35 | Very low | 34.9 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | cis | -156.9 | 142.8 | -0.1 | 13.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 247 | D | 29.2 | Very low | 33.4 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -140.4 | 139.2 | 168.6 | -161 | -8.5 | 0 | 0 | 0 | 110.6 | ||||
| 248 | Y | 33 | Very low | 33.3 | Very low | 211 Ų | 211 | 138.5 Ų | 138.5 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -160.6 | 128.5 | 178 | -106.1 | -95.4 | 0 | 0 | 0 | 106.5 | ||||
| 249 | S | 30.2 | Very low | 33.3 | Very low | 75 Ų | 75 | 140.3 Ų | 140.3 | 52% | 0.524 | 77% | 0.771 | S | S | . | * | cis | -166 | 140.5 | -0.1 | -127.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 250 | Y | 32 | Very low | 34 | Very low | 211 Ų | 211 | 134.5 Ų | 134.5 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | 58.1 | 154.7 | 137.7 | -87.9 | -118.5 | 0 | 0 | 0 | 121.8 | ||||
| 251 | P | 45.5 | Very low | 33.8 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | cis | -136.9 | 166.1 | -34.1 | 33.4 | -15.7 | 0 | 0 | 0 | 115.4 | ||||
| 252 | A | 34.3 | Very low | 34.2 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -117.8 | 131.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 253 | T | 35 | Very low | 34.1 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -145.6 | 171.5 | 170 | 71.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 254 | P | 40 | Very low | 33.9 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | -131.7 | -161 | -97.4 | 33.8 | -10.5 | 0 | 0 | 0 | 113.6 | |||||
| 255 | N | 31.7 | Very low | 34.2 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | trans | -106.3 | 165.9 | -161.6 | -149.5 | -10.6 | 0 | 0 | 0 | 113.3 | ||||
| 256 | H | 34.2 | Very low | 34 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | trans | 81.5 | 110.7 | 160.5 | -57.2 | -54.4 | 0 | 0 | 0 | 122.8 | ||||
| 257 | S | 31.1 | Very low | 33.9 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | 21.5 | 124.7 | 123.7 | -48.8 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 258 | L | 29.6 | Very low | 34 | Very low | 177 Ų | 177 | 138 Ų | 138 | 93% | 0.927 | 77% | 0.765 | S | S | * | * | trans | -107.3 | 147.9 | 168.3 | -75.2 | 171.5 | 0 | 0 | 0 | 113.4 | ||||
| 259 | H | 30.6 | Very low | 33.9 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | -105.9 | 142.9 | 177.1 | 169.9 | 90.6 | 0 | 0 | 0 | 109.8 | ||||
| 260 | P | 46.3 | Very low | 33.9 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | trans | -115.1 | 122.7 | 173.6 | 35.6 | -24.9 | 0 | 0 | 0 | 114.1 | ||||
| 261 | Q | 27.2 | Very low | 33.8 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | trans | -145.5 | 165.2 | 151.2 | -85.6 | -50.3 | -16.1 | 0 | 0 | 108 | ||||
| 262 | P | 41.9 | Very low | 33.3 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | trans | -104.7 | 173.3 | -133.2 | 40.6 | -34.6 | 0 | 0 | 0 | 114 | ||||
| 263 | V | 27.2 | Very low | 34.2 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -174.9 | 160.9 | 134.8 | 146.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 264 | T | 31.7 | Very low | 35.1 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | -58.6 | 158.4 | -170.2 | 52.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 265 | P | 39.6 | Very low | 34.8 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -83 | 148.8 | 169.4 | 35.4 | -33.8 | 0 | 0 | 0 | 112.8 | ||||
| 266 | S | 28.2 | Very low | 34.8 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -132.5 | 156.7 | 162.9 | -167.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 267 | Y | 32.6 | Very low | 35.4 | Very low | 210 Ų | 210 | 130 Ų | 130 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -105.7 | 168.6 | -156.6 | 19 | -93 | 0 | 0 | 0 | 112.9 | ||||
| 268 | V | 32.5 | Very low | 35.5 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | trans | -83 | 151.2 | -165.7 | -172.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 269 | A | 31.2 | Very low | 35.6 | Very low | 97 Ų | 97 | 125.1 Ų | 125.1 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -33.1 | 147.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 270 | G | 29 | Very low | 35.7 | Very low | 71 Ų | 71 | 126.4 Ų | 126.4 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | 119.8 | 96.7 | 114.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 271 | D | 31.2 | Very low | 34.9 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | -166.2 | 169.3 | 122.5 | -115.9 | -32.5 | 0 | 0 | 0 | 112.8 | |||||
| 272 | V | 34.2 | Very low | 35.2 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | trans | -139.6 | 163.6 | -160.8 | 168.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 273 | P | 52.4 | Low | 34.6 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | cis | -128.8 | -142.1 | -15.8 | 36 | -12.7 | 0 | 0 | 0 | 111.5 | ||||
| 274 | P | 55.1 | Low | 34.8 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 62% | 0.623 | 77% | 0.772 | S | S | * | * | cis | -130.3 | 177 | -40.2 | 26.7 | -6.1 | 0 | 0 | 0 | 116.3 | ||||
| 275 | H | 33 | Very low | 34.7 | Very low | 196 Ų | 196 | 126.2 Ų | 126.2 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | trans | 75.5 | 125.6 | 145.9 | -68 | -43.5 | 0 | 0 | 0 | 122.7 | ||||
| 276 | G | 31.5 | Very low | 34.2 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 159.7 | 119.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 277 | P | 46.4 | Very low | 34.4 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -121.8 | 167.9 | -157.3 | 43.6 | -34.5 | 0 | 0 | 0 | 118.1 | ||||
| 278 | A | 34.7 | Very low | 35.8 | Very low | 91 Ų | 91 | 131 Ų | 131 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | 94.4 | 146.1 | 136.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 279 | S | 30.8 | Very low | 36.2 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 83.3 | 112.7 | 161.6 | -54.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 280 | Q | 33.8 | Very low | 36.4 | Very low | 187 Ų | 187 | 131.6 Ų | 131.6 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | 68 | 141.4 | 62.5 | -68.4 | -172.7 | 19.3 | 0 | 0 | 113.1 | |||||
| 281 | A | 29.6 | Very low | 36.7 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | cis | -171.8 | -171.1 | -13 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 282 | A | 32.4 | Very low | 36.7 | Very low | 95 Ų | 95 | 130 Ų | 130 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 72.3 | 149.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 283 | E | 30.5 | Very low | 36.7 | Very low | 169 Ų | 169 | 127.9 Ų | 127.9 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | cis | 154.2 | 151.5 | -30.1 | -97.3 | -162.8 | 151.8 | 0 | 0 | 108.8 | ||||
| 284 | H | 31.5 | Very low | 35.9 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 65% | 0.648 | 77% | 0.768 | S | S | * | * | trans | 61.8 | 99.7 | 165.1 | -70 | -70.3 | 0 | 0 | 0 | 122.7 | ||||
| 285 | E | 28.6 | Very low | 35.1 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 65% | 0.654 | 77% | 0.771 | S | S | * | * | 70 | 156.9 | 101.9 | -140.8 | 177.1 | 161.6 | 0 | 0 | 122.9 | |||||
| 286 | Y | 29.8 | Very low | 35 | Very low | 209 Ų | 209 | 134.7 Ų | 134.7 | 82% | 0.82 | 77% | 0.768 | S | S | * | * | trans | 84.6 | 146.2 | 171.6 | -81 | -89.6 | 0 | 0 | 0 | 121.2 | ||||
| 287 | R | 32.2 | Very low | 35.2 | Very low | 222 Ų | 222 | 135.2 Ų | 135.2 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -143.8 | 177.1 | -167.6 | -162.6 | -154.3 | 177.5 | 171.5 | 2.4 | 107.6 | ||||
| 288 | P | 60.9 | Low | 34.8 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | -94.6 | -162.9 | -80.4 | 36.1 | -19.4 | 0 | 0 | 0 | 111.8 | |||||
| 289 | P | 41.5 | Very low | 34.6 | Very low | 132 Ų | 132 | 140 Ų | 140 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | -146.2 | -175.5 | 92.6 | 36.9 | -18.1 | 0 | 0 | 0 | 115.6 | |||||
| 290 | S | 35.2 | Very low | 34.7 | Very low | 121 Ų | 121 | 145.8 Ų | 145.8 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -109.2 | 155.4 | -173.3 | 175.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 291 | A | 35.4 | Very low | 35 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | trans | 177.4 | 143.5 | 139.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 292 | S | 32 | Very low | 35.3 | Very low | 121 Ų | 121 | 147 Ų | 147 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | 63.8 | 154.1 | 148.2 | -69.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 293 | A | 32.8 | Very low | 35.6 | Very low | 78 Ų | 78 | 151 Ų | 151 | 65% | 0.645 | 78% | 0.779 | S | S | * | * | cis | -172.6 | 147.6 | -22.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 294 | R | 37 | Very low | 36.8 | Very low | 225 Ų | 225 | 148.2 Ų | 148.2 | 85% | 0.849 | 78% | 0.775 | S | S | * | * | trans | 46.1 | 141.8 | 144.4 | -60.5 | -174.4 | -176.9 | 176 | 0.9 | 119.2 | ||||
| 295 | H | 36.7 | Very low | 37.7 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | cis | -176.6 | 178.9 | 23.6 | -128.1 | -151.7 | 0 | 0 | 0 | 111.5 | ||||
| 296 | M | 32.3 | Very low | 39.1 | Very low | 172 Ų | 172 | 146.2 Ų | 146.2 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | 95.1 | 137.9 | 158.9 | -70.5 | -62.6 | 126.3 | 0 | 0 | 122.3 | ||||
| 297 | A | 34.4 | Very low | 40.5 | Very low | 86 Ų | 86 | 141.8 Ų | 141.8 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -116.2 | 164.3 | -151.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 298 | L | 38 | Very low | 41.6 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | trans | -171.1 | 176.2 | 145.4 | -125.5 | 61.2 | 0 | 0 | 0 | 109.7 | ||||
| 299 | N | 32.2 | Very low | 41.4 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | -151.7 | 168.5 | -80.5 | -169.6 | 7.5 | 0 | 0 | 0 | 110.5 | |||||
| 300 | R | 32.2 | Very low | 41.8 | Very low | 225 Ų | 225 | 137.5 Ų | 137.5 | 85% | 0.849 | 79% | 0.785 | S | S | * | * | trans | 78.8 | 156.1 | 167.9 | -117.1 | -159.5 | 171.6 | 137.5 | 2.4 | 118 | ||||
| 301 | P | 38.9 | Very low | 42.2 | Very low | 110 Ų | 110 | 141 Ų | 141 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | -127.6 | 157.4 | -87.1 | 40.8 | -27.6 | 0 | 0 | 0 | 115.2 | |||||
| 302 | Q | 35.8 | Very low | 42.6 | Very low | 191 Ų | 191 | 141.6 Ų | 141.6 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -90.9 | 150 | 170.4 | -79.9 | -79.9 | -9.6 | 0 | 0 | 111.9 | ||||
| 303 | Q | 40.1 | Very low | 43.4 | Very low | 180 Ų | 180 | 142 Ų | 142 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -107.5 | 131.8 | 179.7 | -168.4 | 177.7 | 17.4 | 0 | 0 | 109.9 | ||||
| 304 | P | 55.5 | Low | 43.6 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 157 | 178.8 | 32.3 | -34.4 | 0 | 0 | 0 | 112.5 | ||
| 305 | P | 50.5 | Low | 43.2 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 158.8 | 179.9 | 31.2 | -36 | 0 | 0 | 0 | 113.1 | ||
| 306 | P | 57.7 | Low | 43.2 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 155.3 | -175.9 | 31.5 | -36 | 0 | 0 | 0 | 114 | ||
| 307 | P | 59.8 | Low | 43.2 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 162.5 | -179.9 | 34.2 | -36.5 | 0 | 0 | 0 | 114 | ||
| 308 | P | 54.2 | Low | 43.1 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 162 | 174.5 | 31.6 | -36 | 0 | 0 | 0 | 113.3 | ||
| 309 | P | 56.2 | Low | 42.7 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 160.1 | -174.1 | 31.5 | -36.4 | 0 | 0 | 0 | 114.2 | ||
| 310 | P | 51.6 | Low | 42.8 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 145.3 | -172.8 | -9.9 | 27.6 | 0 | 0 | 0 | 113.8 | ||
| 311 | Q | 43.4 | Very low | 43.4 | Very low | 195 Ų | 195 | 129.3 Ų | 129.3 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 145.9 | 161.9 | -68.3 | -176.9 | -55.7 | 0 | 0 | 110.7 | ||
| 312 | A | 42.8 | Very low | 43.1 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 154.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 313 | P | 48.4 | Very low | 43 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 166.8 | -167.5 | 34.7 | -37.1 | 0 | 0 | 0 | 115.1 | ||
| 314 | E | 36.9 | Very low | 43.2 | Very low | 187 Ų | 187 | 125.8 Ų | 125.8 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67 | 159.3 | -178.5 | -64.2 | 171.4 | 93.3 | 0 | 0 | 115.5 | ||
| 315 | G | 30.4 | Very low | 42.4 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -149.8 | 109.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 316 | S | 35.5 | Very low | 41.3 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | trans | -87.1 | 153.8 | -170.2 | -33.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 317 | Q | 33.3 | Very low | 40 | Very low | 186 Ų | 186 | 131.4 Ų | 131.4 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | 168.1 | 131.8 | 110.2 | -88.8 | -161 | -3 | 0 | 0 | 116 | |||||
| 318 | A | 31.8 | Very low | 38.5 | Very low | 80 Ų | 80 | 129.6 Ų | 129.6 | 66% | 0.661 | 82% | 0.816 | S | S | * | * | 68.6 | 119.1 | 129.6 | 0 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 319 | S | 30.3 | Very low | 37.5 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | 87.3 | 129.6 | 129.6 | -61 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 320 | A | 34.6 | Very low | 36.5 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | trans | -88.7 | 176.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 321 | P | 44.2 | Very low | 35.8 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | -145.8 | -175.1 | 84.8 | 37.2 | -17.8 | 0 | 0 | 0 | 116.2 | |||||
| 322 | M | 32.2 | Very low | 35.3 | Very low | 184 Ų | 184 | 128.5 Ų | 128.5 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -96.6 | 159.3 | -168.3 | -91.2 | -176.5 | 158.8 | 0 | 0 | 116.8 | ||||
| 323 | A | 34.1 | Very low | 34.7 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | 72.2 | 162.1 | 142.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 324 | P | 44.1 | Very low | 34.1 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | cis | -123.2 | -176.8 | 5.4 | 41.1 | -25.3 | 0 | 0 | 0 | 115.9 | ||||
| 325 | A | 38.1 | Very low | 34 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -99.7 | 164.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 326 | D | 27.6 | Very low | 34.1 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -155.1 | 162.2 | 141.6 | -136.4 | -21.5 | 0 | 0 | 0 | 114.9 | ||||
| 327 | Y | 29.7 | Very low | 33.9 | Very low | 220 Ų | 220 | 141.6 Ų | 141.6 | 86% | 0.863 | 81% | 0.811 | S | S | * | * | trans | -40.1 | 152.4 | -167.4 | -92.2 | -132.3 | 0 | 0 | 0 | 122.7 | ||||
| 328 | G | 29.5 | Very low | 34.1 | Very low | 78 Ų | 78 | 143.2 Ų | 143.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 173.1 | 95.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 329 | M | 33 | Very low | 34.4 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | -84.8 | 140 | -174.8 | -71.1 | -98.6 | 68.7 | 0 | 0 | 114.9 | ||||
| 330 | L | 34.5 | Very low | 35 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -165.4 | 160.2 | 133.6 | -87.3 | -155.2 | 0 | 0 | 0 | 110.4 | ||||
| 331 | P | 38 | Very low | 35.2 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -103.1 | 176.3 | -150.5 | 39.7 | -38.5 | 0 | 0 | 0 | 117 | ||||
| 332 | A | 32.4 | Very low | 35 | Very low | 91 Ų | 91 | 143 Ų | 143 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | 97.1 | 67.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 333 | Q | 30.9 | Very low | 36 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | -96.9 | 140.6 | 124.9 | -53.4 | -88.5 | -73.6 | 0 | 0 | 104.3 | |||||
| 334 | I | 35.6 | Very low | 37 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | -156.2 | 151.4 | 73.6 | -22.8 | 178.6 | 0 | 0 | 0 | 110.5 | |||||
| 335 | I | 35.4 | Very low | 37.8 | Very low | 139 Ų | 139 | 141 Ų | 141 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | 66.4 | 100.6 | 164.4 | -63.7 | 143.6 | 0 | 0 | 0 | 114.2 | ||||
| 336 | E | 30.7 | Very low | 39 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | cis | 66.1 | 72.4 | 36.2 | -159.3 | 177.6 | -151 | 0 | 0 | 114.3 | ||||
| 337 | Y | 31.2 | Very low | 40.3 | Very low | 208 Ų | 208 | 140.4 Ų | 140.4 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | trans | -149.1 | 121.1 | 150.2 | -110 | -89.9 | 0 | 0 | 0 | 111.4 | ||||
| 338 | Y | 37.3 | Very low | 41.9 | Very low | 220 Ų | 220 | 135.6 Ų | 135.6 | 86% | 0.863 | 79% | 0.786 | S | S | * | * | trans | 79.5 | 134.3 | 165.6 | -90.9 | -112.6 | 0 | 0 | 0 | 122.8 | ||||
| 339 | N | 39.3 | Very low | 43.4 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 64% | 0.642 | 78% | 0.784 | S | S | * | * | trans | -117.4 | 151 | -176.4 | 168.9 | 23 | 0 | 0 | 0 | 109.1 | S341 | N339-S341 PolarHBondContact OD1-N 3.02Š| ||
| 340 | P | 43 | Very low | 44.2 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -141.8 | 112.5 | 136.2 | 34.9 | -19.1 | 0 | 0 | 0 | 115 | ||||
| 341 | S | 38.7 | Very low | 44.8 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -161.3 | 138.8 | 147.3 | 48.8 | 0 | 0 | 0 | 0 | 109.4 | N339 | N339-S341 PolarHBondContact OD1-N 3.02Š| ||
| 342 | G | 40 | Very low | 45.2 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | -127.4 | 172.7 | -164 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 343 | P | 53.8 | Low | 45.6 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 162.7 | 176.9 | 35.2 | -34 | 0 | 0 | 0 | 113.5 | ||
| 344 | P | 53.3 | Low | 45.8 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -77 | 163.2 | -175.2 | 31.7 | -37 | 0 | 0 | 0 | 114.7 | ||
| 345 | P | 61.3 | Low | 46.1 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 154 | -176.9 | 31.7 | -36.6 | 0 | 0 | 0 | 114.4 | ||
| 346 | P | 64.6 | Low | 46.3 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 159.5 | 174.8 | 32.3 | -35.6 | 0 | 0 | 0 | 113.5 | ||
| 347 | P | 54.3 | Low | 46.6 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 159.5 | -177.7 | 30.9 | -36.5 | 0 | 0 | 0 | 114.1 | ||
| 348 | P | 62.6 | Low | 46.6 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 152.7 | -179 | 30.7 | -36.1 | 0 | 0 | 0 | 113.6 | ||
| 349 | P | 61.8 | Low | 46.4 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 155.4 | 174.5 | 30.4 | -35.2 | 0 | 0 | 0 | 112.6 | ||
| 350 | P | 50.3 | Low | 46 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 147.1 | -172.1 | 29.4 | -35.6 | 0 | 0 | 0 | 113.9 | ||
| 351 | V | 45.6 | Very low | 45.5 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76 | 128.2 | 174.8 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 352 | I | 46.6 | Very low | 45.8 | Very low | 150 Ų | 150 | 126.4 Ų | 126.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 132 | 169.6 | -58.1 | 179.6 | 0 | 0 | 0 | 108.3 | ||
| 353 | P | 40.7 | Very low | 45.5 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 153.9 | -171.3 | -22 | 34.2 | 0 | 0 | 0 | 115.4 | ||
| 354 | S | 37 | Very low | 44.5 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 154.9 | 176 | -54.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 355 | A | 40.6 | Very low | 43.6 | Very low | 87 Ų | 87 | 135 Ų | 135 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | trans | -5.5 | 118.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 356 | Q | 40.1 | Very low | 42.5 | Very low | 189 Ų | 189 | 135 Ų | 135 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | 179.4 | 100.3 | 138.2 | -101 | 154.7 | 96.7 | 0 | 0 | 111.2 | ||||
| 357 | T | 37.7 | Very low | 41.1 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | -179.7 | 89.2 | 148.1 | 43.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 358 | A | 30.9 | Very low | 40.3 | Very low | 88 Ų | 88 | 141.3 Ų | 141.3 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -172.2 | 93.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 359 | F | 32.2 | Very low | 39.5 | Very low | 218 Ų | 218 | 140 Ų | 140 | 96% | 0.956 | 81% | 0.807 | S | S | * | * | trans | 157.1 | 97.7 | 147.3 | -85.3 | -59.2 | 0 | 0 | 0 | 108.5 | ||||
| 360 | V | 30.2 | Very low | 38.7 | Very low | 138 Ų | 138 | 140 Ų | 140 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -112.4 | 124 | 169.8 | 171.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 361 | S | 34 | Very low | 38.1 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -150.8 | 137.5 | 154 | -80.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 362 | P | 44.3 | Very low | 38.1 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -93.5 | 141.8 | -163.2 | 35.3 | -34.3 | 0 | 0 | 0 | 113 | ||||
| 363 | L | 33.3 | Very low | 37.6 | Very low | 184 Ų | 184 | 140 Ų | 140 | 96% | 0.963 | 81% | 0.809 | S | S | * | * | trans | -129.5 | 145.5 | 155.3 | -80.5 | 170.4 | 0 | 0 | 0 | 108.9 | ||||
| 364 | Q | 34.1 | Very low | 37.2 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -122.6 | 158.2 | -156.4 | -174.2 | 175.4 | -36.4 | 0 | 0 | 111.3 | ||||
| 365 | M | 32.7 | Very low | 37.3 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 77% | 0.768 | 81% | 0.814 | S | S | * | * | trans | 86.1 | 151.9 | 175.1 | -49.6 | -66.1 | -167.3 | 0 | 0 | 116.5 | ||||
| 366 | P | 38.9 | Very low | 37 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | -134.2 | 166 | -53.5 | 36.8 | -21.4 | 0 | 0 | 0 | 113.5 | |||||
| 367 | M | 35.3 | Very low | 36.6 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -71.3 | 153.2 | 177.4 | -73.5 | -179 | 68.7 | 0 | 0 | 114.6 | ||||
| 368 | Q | 36.9 | Very low | 36.5 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -138 | 159.9 | 153.3 | -80.3 | -137.7 | -28.5 | 0 | 0 | 111.4 | ||||
| 369 | P | 47.4 | Very low | 36.8 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 60% | 0.597 | 81% | 0.809 | S | S | * | * | trans | -98.8 | 166.3 | -147 | 37.6 | -37.2 | 0 | 0 | 0 | 116.4 | F371 | P369-F371 HydrophobicContact CG-CE2 4.45Š| ||
| 370 | P | 43.9 | Very low | 37 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | trans | -91.4 | 148.6 | 178.8 | 36.5 | -34.2 | 0 | 0 | 0 | 113.6 | ||||
| 371 | F | 37 | Very low | 37.3 | Very low | 188 Ų | 188 | 131 Ų | 131 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -142.7 | 160.4 | 170.4 | -82.2 | -63 | 0 | 0 | 0 | 110.7 | P369 | P369-F371 HydrophobicContact CG-CE2 4.45Š| ||
| 372 | P | 45.4 | Very low | 38.1 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | -108.2 | 168.3 | -122.3 | 38.8 | -36.7 | 0 | 0 | 0 | 115.8 | |||||
| 373 | A | 36.7 | Very low | 38.2 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -65.1 | 147.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 374 | S | 33.2 | Very low | 38.7 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -126.6 | 147.1 | 166.8 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 375 | A | 39 | Very low | 39.8 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -88.9 | 163.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 376 | G | 32.7 | Very low | 40.4 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | 153.6 | 75.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 377 | S | 33.2 | Very low | 40.4 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | 72.7 | 95 | 94.4 | -162.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 378 | T | 35.8 | Very low | 40.6 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | 20.1 | 117.1 | 141.6 | 60 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 379 | H | 36.6 | Very low | 40.6 | Very low | 199 Ų | 199 | 120.1 Ų | 120.1 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -137.4 | 131.3 | 139.4 | -94.3 | -68.7 | 0 | 0 | 0 | 110.5 | ||||
| 380 | A | 35.3 | Very low | 40.1 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 143.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 381 | A | 37 | Very low | 40 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 147.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 382 | P | 51 | Low | 40.1 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 68% | 0.682 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 157.8 | -170.3 | 32.8 | -36.4 | 0 | 0 | 0 | 113.7 | ||
| 383 | P | 46 | Very low | 40 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 145.8 | 178 | 31.7 | -35.3 | 0 | 0 | 0 | 112.5 | ||
| 384 | H | 44.3 | Very low | 40.5 | Very low | 177 Ų | 177 | 124.4 Ų | 124.4 | 82% | 0.819 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 141.1 | 177.6 | -35.8 | -68.6 | 0 | 0 | 0 | 111 | ||
| 385 | P | 58.2 | Low | 41.5 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77 | 157.4 | 178.5 | 31.9 | -35.3 | 0 | 0 | 0 | 112.8 | ||
| 386 | P | 43.5 | Very low | 42.6 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 141.3 | 175.9 | 32.2 | -34.3 | 0 | 0 | 0 | 110.9 | ||
| 387 | S | 40.6 | Very low | 44.1 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -106.3 | 131.4 | 174.5 | -148.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 388 | T | 38 | Very low | 45.6 | Very low | 141 Ų | 141 | 128 Ų | 128 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | -69.1 | 158.1 | -179.2 | 15.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 389 | G | 38 | Very low | 47.1 | Very low | 74 Ų | 74 | 125.3 Ų | 125.3 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | -72.5 | 155.3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 390 | L | 37.5 | Very low | 48.6 | Very low | 170 Ų | 170 | 121.7 Ų | 121.7 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -127.2 | 128.7 | 155.5 | -75.6 | 175.3 | 0 | 0 | 0 | 108.6 | V392 | L390-V392 PolarHBondContact O-N 3.05Š| ||
| 391 | L | 41 | Very low | 50.3 | Low | 178 Ų | 178 | 122.2 Ų | 122.2 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | trans | -76.5 | 111.3 | 175.8 | -69 | 166.3 | 0 | 0 | 0 | 109.2 | ||||
| 392 | V | 40 | Very low | 51.8 | Low | 138 Ų | 138 | 123.2 Ų | 123.2 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -106.9 | 102.3 | 167.1 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | L390 A394 | L390-V392 PolarHBondContact O-N 3.05Å; V392-A394 PolarHBondContact O-N 3.41Å | ||
| 393 | T | 43.1 | Very low | 52.6 | Low | 131 Ų | 131 | 123.8 Ų | 123.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -75 | 113.1 | 174.6 | 50.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 394 | A | 45.6 | Very low | 53.5 | Low | 88 Ų | 88 | 123.5 Ų | 123.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 143.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V392 | V392-A394 PolarHBondContact O-N 3.41Š|
| 395 | P | 54.4 | Low | 54.5 | Low | 117 Ų | 117 | 121.3 Ų | 121.3 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 147.4 | 175.1 | 29.5 | -34.4 | 0 | 0 | 0 | 111 | ||
| 396 | P | 62.8 | Low | 54.5 | Low | 115 Ų | 115 | 118.8 Ų | 118.8 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 151.5 | 178.5 | 29.3 | -35.1 | 0 | 0 | 0 | 111.7 | ||
| 397 | P | 64.5 | Low | 55.1 | Low | 117 Ų | 117 | 118.4 Ų | 118.4 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 148.8 | 175.7 | 28.5 | -34.9 | 0 | 0 | 0 | 111.4 | G399 | P397-G399 PolarHBondContact O-N 3.2Š|
| 398 | P | 65.3 | Low | 55.7 | Low | 128 Ų | 128 | 118.7 Ų | 118.7 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 136.4 | 175 | 26.8 | -33.7 | 0 | 0 | 0 | 110.8 | ||
| 399 | G | 66.3 | Low | 56.1 | Low | 62 Ų | 62 | 115 Ų | 115 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -68 | 163.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P397 | P397-G399 PolarHBondContact O-N 3.2Š|
| 400 | P | 68.9 | Low | 56.3 | Low | 124 Ų | 124 | 118.2 Ų | 118.2 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 149.3 | 177.7 | 27.9 | -35 | 0 | 0 | 0 | 111.7 | ||
| 401 | P | 69.5 | Low | 56.2 | Low | 114 Ų | 114 | 113.7 Ų | 113.7 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 151.5 | 177.6 | 28.2 | -35 | 0 | 0 | 0 | 111.7 | ||
| 402 | P | 69.3 | Low | 55.8 | Low | 114 Ų | 114 | 111.1 Ų | 111.1 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 150 | 178.5 | 28.1 | -35 | 0 | 0 | 0 | 111.8 | ||
| 403 | P | 66.9 | Low | 55.6 | Low | 118 Ų | 118 | 110 Ų | 110 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 149.7 | 177 | 28.6 | -34.9 | 0 | 0 | 0 | 111.5 | ||
| 404 | P | 66.4 | Low | 55.2 | Low | 117 Ų | 117 | 112 Ų | 112 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 151.2 | 176.9 | 28.4 | -34.9 | 0 | 0 | 0 | 111.5 | G406 | P404-G406 PolarHBondContact O-N 3.35Š|
| 405 | P | 63.9 | Low | 54.5 | Low | 131 Ų | 131 | 113 Ų | 113 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 132.8 | 174.9 | -22.8 | 33.5 | 0 | 0 | 0 | 111.8 | ||
| 406 | G | 59.1 | Low | 53.4 | Low | 63 Ų | 63 | 112.9 Ų | 112.9 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 156.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P404 | P404-G406 PolarHBondContact O-N 3.35Š|
| 407 | P | 56.9 | Low | 52.1 | Low | 124 Ų | 124 | 112.9 Ų | 112.9 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66 | 145.6 | 177.3 | 28.8 | -34.8 | 0 | 0 | 0 | 111.2 | G409 | P407-G409 PolarHBondContact O-N 2.59Š|
| 408 | P | 51.7 | Low | 51.3 | Low | 129 Ų | 129 | 112.5 Ų | 112.5 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 130.9 | 179 | 27.5 | -33.7 | 0 | 0 | 0 | 111.3 | ||
| 409 | G | 47.3 | Very low | 49.8 | Very low | 63 Ų | 63 | 113 Ų | 113 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 159.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P407 G411 | P407-G409 PolarHBondContact O-N 2.59Å; G409-G411 PolarHBondContact O-N 2.73Å; G409-G411 VanDerWaalsContact O-N 3.15Å |
| 410 | P | 41.3 | Very low | 48.3 | Very low | 142 Ų | 142 | 118.4 Ų | 118.4 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | trans | -74.4 | 105.3 | -177.6 | 29.8 | -33.7 | 0 | 0 | 0 | 111.5 | ||||
| 411 | G | 36.8 | Very low | 46.4 | Very low | 74 Ų | 74 | 115.6 Ų | 115.6 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | -93.7 | 128.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.8 | G409 | G409-G411 PolarHBondContact O-N 2.73Å; G409-G411 VanDerWaalsContact O-N 3.15Å | ||
| 412 | S | 32.8 | Very low | 45.2 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | trans | -73.3 | 143.5 | -176.3 | -62.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 413 | S | 34.3 | Very low | 44.3 | Very low | 114 Ų | 114 | 116.1 Ų | 116.1 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -40.3 | 139.6 | 177.4 | -37.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 414 | L | 34.4 | Very low | 42.6 | Very low | 174 Ų | 174 | 116.9 Ų | 116.9 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -145.5 | 117.7 | 143.6 | -78.6 | -174.3 | 0 | 0 | 0 | 112.9 | ||||
| 415 | S | 32.4 | Very low | 41.1 | Very low | 110 Ų | 110 | 115.4 Ų | 115.4 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 23.4 | 123.5 | 147 | -157.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 416 | S | 30.8 | Very low | 39.5 | Very low | 113 Ų | 113 | 118.6 Ų | 118.6 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | 160.7 | 144.8 | 99.4 | 46.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 417 | S | 34.5 | Very low | 38.3 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -98 | -164.4 | 175.7 | -33 | 0 | 0 | 0 | 0 | 110 | ||||
| 418 | P | 49.3 | Very low | 37.1 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | cis | -147.2 | -178.8 | 21.1 | 37.8 | -13.5 | 0 | 0 | 0 | 118 | ||||
| 419 | M | 32.9 | Very low | 36.2 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | 157.7 | 129.4 | 125.7 | -79.4 | -103.3 | 89 | 0 | 0 | 115.1 | |||||
| 420 | H | 34 | Very low | 35.4 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | 67.7 | 138.9 | 147.9 | -66.2 | -22.5 | 0 | 0 | 0 | 121.1 | ||||
| 421 | G | 30.8 | Very low | 35.1 | Very low | 66 Ų | 66 | 136.4 Ų | 136.4 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | cis | -169.2 | 173.4 | -2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 422 | P | 44.1 | Very low | 35.2 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -99.8 | -163.6 | -167.4 | 43.5 | -38.2 | 0 | 0 | 0 | 112.6 | ||||
| 423 | P | 49.7 | Very low | 35.2 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | cis | -132.3 | -174.9 | 5.8 | 39.9 | -17 | 0 | 0 | 0 | 114.6 | ||||
| 424 | V | 31.2 | Very low | 35.3 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | -164.9 | 150.5 | 79.1 | 164.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 425 | A | 34.4 | Very low | 35.6 | Very low | 86 Ų | 86 | 137 Ų | 137 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -55.5 | 178.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 426 | E | 30.7 | Very low | 36.2 | Very low | 198 Ų | 198 | 137.9 Ų | 137.9 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | cis | -140.9 | 178.4 | 22.5 | -74.9 | -170.3 | 112.6 | 0 | 0 | 114.1 | ||||
| 427 | A | 34.7 | Very low | 37 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -104.4 | 153.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 428 | K | 30.9 | Very low | 37.9 | Very low | 212 Ų | 212 | 138 Ų | 138 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | trans | -158.9 | 139.3 | 135.4 | -121.6 | 172.2 | -177.6 | 176.1 | 0 | 114.5 | ||||
| 429 | R | 33.6 | Very low | 38.9 | Very low | 233 Ų | 233 | 137.5 Ų | 137.5 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -56.4 | 145.1 | 171 | -79.2 | 173.5 | 158.8 | -168.8 | -4.3 | 112.3 | ||||
| 430 | Q | 30.6 | Very low | 40.7 | Very low | 194 Ų | 194 | 134.6 Ų | 134.6 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | 177.7 | 133.6 | 104.5 | -97.7 | 168.4 | -48.6 | 0 | 0 | 111.7 | |||||
| 431 | E | 33.6 | Very low | 42.1 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -93.5 | 156.1 | 158.8 | -135.9 | -155.5 | 104.1 | 0 | 0 | 107.9 | A433 | E431-A433 PolarHBondContact OE1-N 2.73Å; E431-A433 VanDerWaalsContact OE1-N 3.08Å | ||
| 432 | P | 38.6 | Very low | 44.2 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | -138.4 | 158.8 | 70.3 | 32.9 | -14.2 | 0 | 0 | 0 | 116.7 | |||||
| 433 | A | 34.1 | Very low | 45.6 | Very low | 80 Ų | 80 | 133.5 Ų | 133.5 | 66% | 0.661 | 74% | 0.744 | S | S | * | * | trans | -45.4 | 141.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | E431 | E431-A433 PolarHBondContact OE1-N 2.73Å; E431-A433 VanDerWaalsContact OE1-N 3.08Å | ||
| 434 | Q | 35.3 | Very low | 46.7 | Very low | 185 Ų | 185 | 133.2 Ų | 133.2 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | -141.8 | 156.5 | 144.4 | -86.8 | -126.9 | -10.5 | 0 | 0 | 108.6 | ||||
| 435 | P | 40.9 | Very low | 48.8 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | trans | -72.6 | 151.4 | -151.8 | 27.1 | -35.7 | 0 | 0 | 0 | 114.7 | V437 | P435-V437 PolarHBondContact O-N 2.96Š| ||
| 436 | P | 46.2 | Very low | 50.7 | Low | 130 Ų | 130 | 128.3 Ų | 128.3 | 84% | 0.844 | 70% | 0.698 | S | S | * | * | trans | -70.2 | 115.3 | -177 | 28.5 | -34 | 0 | 0 | 0 | 111.2 | S438 | P436-S438 PolarHBondContact O-N 2.86Š| ||
| 437 | V | 46 | Very low | 52.7 | Low | 138 Ų | 138 | 121.7 Ų | 121.7 | 84% | 0.836 | 68% | 0.677 | S | S | * | * | trans | -58.4 | 121.1 | 158.6 | -79.3 | 0 | 0 | 0 | 0 | 108.8 | P435 D439 | P435-V437 PolarHBondContact O-N 2.96Å; V437-D439 VanDerWaalsContact C-N 3.34Å; V437-D439 PolarHBondContact O-N 2.93Å | ||
| 438 | S | 55.1 | Low | 54.4 | Low | 94 Ų | 94 | 122.5 Ų | 122.5 | 66% | 0.657 | 67% | 0.667 | S | S | * | * | trans | -68.9 | 93.5 | 173.4 | 53 | 0 | 0 | 0 | 0 | 108.9 | P436 A440 | P436-S438 PolarHBondContact O-N 2.86Å; S438-A440 PolarHBondContact O-N 3.43Å | ||
| 439 | D | 69.3 | Low | 56.4 | Low | 97 Ų | 97 | 121 Ų | 121 | 52% | 0.519 | 66% | 0.655 | S | S | . | * | trans | -53.7 | 126.2 | 174.8 | 178.9 | 1.8 | 0 | 0 | 0 | 109.2 | V437 R441 S442 D443 | V437-D439 VanDerWaalsContact C-N 3.34Å; V437-D439 PolarHBondContact O-N 2.93Å; D439-R441 PolarHBondContact O-N 3.35Å; D439-R441 WeakPolarHBondContact OD1-CB 3.46Å; D439-R441 PolarHBondContact OD1-N 2.81Å; D439-S442 WeakPolarHBondContact O-CA 3.43Å; D439-S442 WeakPolarHBondContact O-CB 3.42Å; D439-S442 PolarHBondContact O-N 3.31Å; D439-D443 PolarHBondContact O-N 2.89Å | ||
| 440 | A | 70.6 | Confident | 58 | Low | 78 Ų | 78 | 117.3 Ų | 117.3 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -56.3 | -24.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S438 L444 | S438-A440 PolarHBondContact O-N 3.43Å; A440-L444 WeakPolarHBondContact O-CB 3.22Å; A440-L444 PolarHBondContact O-N 3.17Å |
| 441 | R | 64.8 | Low | 59.3 | Low | 178 Ų | 178 | 110 Ų | 110 | 67% | 0.672 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.7 | -34.3 | 171.7 | -168.6 | 179.3 | -177.6 | -175.4 | 1.3 | 113.1 | D439 L445 | D439-R441 PolarHBondContact O-N 3.35Å; D439-R441 WeakPolarHBondContact OD1-CB 3.46Å; D439-R441 PolarHBondContact OD1-N 2.81Å; R441-L445 HydrophobicContact CG-CD1 4.36Å; R441-L445 WeakPolarHBondContact O-CB 3.12Å; R441-L445 VanDerWaalsContact O-CG 3.24Å; R441-L445 WeakPolarHBondContact O-CG 3.48Å; R441-L445 PolarHBondContact O-N 3.29Å |
| 442 | S | 74.1 | Confident | 60.6 | Low | 63 Ų | 63 | 109.8 Ų | 109.8 | 44% | 0.441 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.9 | -44.7 | 174.4 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | D439 L445 A446 | D439-S442 WeakPolarHBondContact O-CA 3.43Å; D439-S442 WeakPolarHBondContact O-CB 3.42Å; D439-S442 PolarHBondContact O-N 3.31Å; S442-L445 CarbonylContact O-C 3.57Å; S442-L445 PolarHBondContact O-N 3.25Å; S442-A446 WeakPolarHBondContact O-CB 3.31Å; S442-A446 PolarHBondContact O-N 2.75Å |
| 443 | D | 72.3 | Confident | 61.5 | Low | 101 Ų | 101 | 112.7 Ų | 112.7 | 54% | 0.54 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63 | -42 | 174.3 | -94.8 | 2.5 | 0 | 0 | 0 | 111.8 | D439 L445 A446 A447 | D439-D443 PolarHBondContact O-N 2.89Å; D443-L445 PolarHBondContact O-N 2.99Å; D443-A446 WeakPolarHBondContact O-CB 3.37Å; D443-A446 PolarHBondContact O-N 3.37Å; D443-A447 WeakPolarHBondContact O-CB 3.36Å; D443-A447 PolarHBondContact O-N 3.47Å |
| 444 | L | 73.9 | Confident | 62.2 | Low | 108 Ų | 108 | 116 Ų | 116 | 57% | 0.565 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.5 | -44.5 | 173.5 | -178.5 | 62.8 | 0 | 0 | 0 | 111.6 | A440 A446 A447 I448 | A440-L444 WeakPolarHBondContact O-CB 3.22Å; A440-L444 PolarHBondContact O-N 3.17Å; L444-A446 VanDerWaalsContact C-N 3.33Å; L444-A446 PolarHBondContact O-N 3.04Å; L444-A447 PolarHBondContact O-N 3.3Å; L444-I448 HydrophobicContact CD1-CD1 4.23Å; L444-I448 HydrophobicContact CG-CD1 3.96Å; L444-I448 WeakPolarHBondContact O-CB 3.35Å; L444-I448 WeakPolarHBondContact O-CD1 3.4Å; L444-I448 VanDerWaalsContact O-CG1 3.23Å; L444-I448 WeakPolarHBondContact O-CG1 3.35Å; L444-I448 PolarHBondContact O-N 2.72Å |
| 445 | L | 75.9 | Confident | 63.2 | Low | 78 Ų | 78 | 115.7 Ų | 115.7 | 41% | 0.408 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.3 | -29.4 | 176.4 | -71 | 169.1 | 0 | 0 | 0 | 112.4 | R441 S442 D443 R449 | R441-L445 HydrophobicContact CG-CD1 4.36Å; R441-L445 WeakPolarHBondContact O-CB 3.12Å; R441-L445 VanDerWaalsContact O-CG 3.24Å; R441-L445 WeakPolarHBondContact O-CG 3.48Å; R441-L445 PolarHBondContact O-N 3.29Å; S442-L445 CarbonylContact O-C 3.57Å; S442-L445 PolarHBondContact O-N 3.25Å; D443-L445 PolarHBondContact O-N 2.99Å; L445-R449 WeakPolarHBondContact O-CB 3.46Å; L445-R449 VanDerWaalsContact O-CG 3.29Å; L445-R449 WeakPolarHBondContact O-CG 3.49Å; L445-R449 PolarHBondContact O-N 3.17Å; L445-R449 PolarHBondContact O-NE 2.81Å |
| 446 | A | 74.6 | Confident | 64 | Low | 38 Ų | 38 | 119.3 Ų | 119.3 | 31% | 0.314 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -69.1 | -44.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S442 D443 L444 I448 R449 M450 | S442-A446 WeakPolarHBondContact O-CB 3.31Å; S442-A446 PolarHBondContact O-N 2.75Å; D443-A446 WeakPolarHBondContact O-CB 3.37Å; D443-A446 PolarHBondContact O-N 3.37Å; L444-A446 VanDerWaalsContact C-N 3.33Å; L444-A446 PolarHBondContact O-N 3.04Å; A446-I448 PolarHBondContact O-N 3.18Å; A446-R449 CarbonylContact O-C 3.57Å; A446-R449 PolarHBondContact O-N 2.78Å; A446-M450 WeakPolarHBondContact O-CB 3.29Å; A446-M450 WeakPolarHBondContact O-CG 3.35Å; A446-M450 PolarHBondContact O-N 2.85Å |
| 447 | A | 72.1 | Confident | 64.1 | Low | 60 Ų | 60 | 118 Ų | 118 | 50% | 0.496 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.8 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | D443 L444 M450 G451 | D443-A447 WeakPolarHBondContact O-CB 3.36Å; D443-A447 PolarHBondContact O-N 3.47Å; L444-A447 PolarHBondContact O-N 3.3Å; A447-M450 PolarHBondContact O-N 2.91Å; A447-G451 PolarHBondContact O-N 3.18Å |
| 448 | I | 71 | Confident | 64.4 | Low | 112 Ų | 112 | 118 Ų | 118 | 57% | 0.574 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.8 | -41.1 | 173 | -69.8 | 164.5 | 0 | 0 | 0 | 110.9 | L444 A446 G451 | L444-I448 HydrophobicContact CD1-CD1 4.23Å; L444-I448 HydrophobicContact CG-CD1 3.96Å; L444-I448 WeakPolarHBondContact O-CB 3.35Å; L444-I448 WeakPolarHBondContact O-CD1 3.4Å; L444-I448 VanDerWaalsContact O-CG1 3.23Å; L444-I448 WeakPolarHBondContact O-CG1 3.35Å; L444-I448 PolarHBondContact O-N 2.72Å; A446-I448 PolarHBondContact O-N 3.18Å; I448-G451 PolarHBondContact O-N 3.06Å |
| 449 | R | 72.6 | Confident | 64.3 | Low | 180 Ų | 180 | 119 Ų | 119 | 68% | 0.679 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.6 | -30.4 | 175.7 | -78.4 | 176.6 | -72.4 | -137.8 | 3.1 | 113.6 | L445 A446 | L445-R449 WeakPolarHBondContact O-CB 3.46Å; L445-R449 VanDerWaalsContact O-CG 3.29Å; L445-R449 WeakPolarHBondContact O-CG 3.49Å; L445-R449 PolarHBondContact O-N 3.17Å; L445-R449 PolarHBondContact O-NE 2.81Å; A446-R449 CarbonylContact O-C 3.57Å; A446-R449 PolarHBondContact O-N 2.78Å |
| 450 | M | 66.4 | Low | 63 | Low | 156 Ų | 156 | 120.8 Ų | 120.8 | 77% | 0.768 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -77.3 | -26.2 | 175.6 | -68.7 | -96.1 | 72.3 | 0 | 0 | 112.7 | A446 A447 | A446-M450 WeakPolarHBondContact O-CB 3.29Å; A446-M450 WeakPolarHBondContact O-CG 3.35Å; A446-M450 PolarHBondContact O-N 2.85Å; A447-M450 PolarHBondContact O-N 2.91Å |
| 451 | G | 58.1 | Low | 62.3 | Low | 42 Ų | 42 | 126 Ų | 126 | 43% | 0.433 | 62% | 0.621 | S | S | . | * | trans | 76.8 | 157.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A447 I448 Q453 | A447-G451 PolarHBondContact O-N 3.18Å; I448-G451 PolarHBondContact O-N 3.06Å; G451-Q453 PolarHBondContact O-N 3.29Å; G451-Q453 VanDerWaalsContact O-N 3.08Å | ||
| 452 | I | 60.1 | Low | 62 | Low | 155 Ų | 155 | 122.5 Ų | 122.5 | 80% | 0.795 | 61% | 0.613 | S | S | * | * | trans | -73.4 | 102.8 | 177.8 | -58.8 | 173.6 | 0 | 0 | 0 | 108.8 | L454 | I452-L454 VanDerWaalsContact C-N 3.35Å; I452-L454 HydrophobicContact CG2-CD2 4.05Å; I452-L454 HydrophobicContact CG2-CG 4.39Å; I452-L454 PolarHBondContact O-N 2.69Å | ||
| 453 | Q | 57.3 | Low | 60.7 | Low | 186 Ų | 186 | 125.5 Ų | 125.5 | 87% | 0.869 | 62% | 0.62 | S | S | * | * | trans | -71.5 | 93.6 | 165.1 | -69.8 | -158.8 | 25.5 | 0 | 0 | 109.6 | G451 K455 | G451-Q453 PolarHBondContact O-N 3.29Å; G451-Q453 VanDerWaalsContact O-N 3.08Å; Q453-K455 PolarHBondContact O-N 3.42Å | ||
| 454 | L | 49 | Very low | 59.8 | Low | 150 Ų | 150 | 127.2 Ų | 127.2 | 79% | 0.785 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 119.1 | 168.5 | -66.8 | 173.4 | 0 | 0 | 0 | 109 | I452 K456 | I452-L454 VanDerWaalsContact C-N 3.35Å; I452-L454 HydrophobicContact CG2-CD2 4.05Å; I452-L454 HydrophobicContact CG2-CG 4.39Å; I452-L454 PolarHBondContact O-N 2.69Å; L454-K456 PolarHBondContact O-N 2.87Å |
| 455 | K | 57.3 | Low | 58.9 | Low | 179 Ų | 179 | 124.8 Ų | 124.8 | 78% | 0.778 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 123.8 | 174 | -155.5 | -179.1 | -174.2 | -169.1 | 0 | 108 | Q453 V457 | Q453-K455 PolarHBondContact O-N 3.42Å; K455-V457 PolarHBondContact O-N 2.97Å |
| 456 | K | 57.4 | Low | 57.8 | Low | 182 Ų | 182 | 129.4 Ų | 129.4 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 118.4 | -176.7 | -89.1 | -178.5 | 175 | 174.9 | 0 | 110.4 | L454 Q458 | L454-K456 PolarHBondContact O-N 2.87Å; K456-Q458 HydrophobicContact CB-CB 4.35Å; K456-Q458 PolarHBondContact O-N 3.38Å |
| 457 | V | 49.2 | Very low | 56.6 | Low | 102 Ų | 102 | 138.4 Ų | 138.4 | 62% | 0.618 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 0.7 | 178 | -176.6 | 0 | 0 | 0 | 0 | 113 | K455 E459 Q460 R461 | K455-V457 PolarHBondContact O-N 2.97Å; V457-E459 VanDerWaalsContact C-N 3.29Å; V457-E459 PolarHBondContact O-N 3.04Å; V457-Q460 HydrophobicContact CG1-CB 4.47Å; V457-Q460 PolarHBondContact O-N 2.89Å; V457-R461 PolarHBondContact O-N 3.11Å |
| 458 | Q | 52.2 | Low | 55.2 | Low | 138 Ų | 138 | 142 Ų | 142 | 65% | 0.645 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -51.5 | -44 | 174.4 | -160.6 | 75 | 8.1 | 0 | 0 | 112.7 | K456 E462 | K456-Q458 HydrophobicContact CB-CB 4.35Å; K456-Q458 PolarHBondContact O-N 3.38Å; Q458-E462 WeakPolarHBondContact O-CB 3.11Å; Q458-E462 PolarHBondContact O-N 2.89Å |
| 459 | E | 51.7 | Low | 54.2 | Low | 115 Ų | 115 | 141.8 Ų | 141.8 | 54% | 0.537 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -71.3 | -36.6 | -176.2 | -171.5 | 174.1 | -161.5 | 0 | 0 | 112.4 | V457 E462 Q463 | V457-E459 VanDerWaalsContact C-N 3.29Å; V457-E459 PolarHBondContact O-N 3.04Å; E459-E462 PolarHBondContact O-N 3.49Å; E459-Q463 WeakPolarHBondContact O-CG 3.34Å; E459-Q463 PolarHBondContact O-N 3.43Å; E459-Q463 VanDerWaalsContact O-N 3.13Å |
| 460 | Q | 42.8 | Very low | 53.5 | Low | 135 Ų | 135 | 138.3 Ų | 138.3 | 63% | 0.631 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -70.9 | -43.4 | 176.8 | -165.6 | 169.9 | 15.8 | 0 | 0 | 110.9 | V457 E462 Q463 E464 | V457-Q460 HydrophobicContact CG1-CB 4.47Å; V457-Q460 PolarHBondContact O-N 2.89Å; Q460-E462 VanDerWaalsContact C-N 3.25Å; Q460-E462 PolarHBondContact O-N 3.21Å; Q460-Q463 PolarHBondContact O-N 3.41Å; Q460-E464 WeakPolarHBondContact O-CB 3.45Å; Q460-E464 PolarHBondContact O-N 3.03Å |
| 461 | R | 55.4 | Low | 52.9 | Low | 187 Ų | 187 | 132.3 Ų | 132.3 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -62.3 | -31.5 | 174.2 | -165.4 | 178.2 | -174.8 | -162.5 | 0.9 | 112.5 | V457 A465 | V457-R461 PolarHBondContact O-N 3.11Å; R461-A465 WeakPolarHBondContact O-CB 3.42Å; R461-A465 PolarHBondContact O-N 3.07Å |
| 462 | E | 58.3 | Low | 53.3 | Low | 106 Ų | 106 | 134.3 Ų | 134.3 | 50% | 0.495 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -75.4 | -30.9 | 176 | -170.6 | 171 | -168.9 | 0 | 0 | 113.3 | Q458 E459 Q460 | Q458-E462 WeakPolarHBondContact O-CB 3.11Å; Q458-E462 PolarHBondContact O-N 2.89Å; E459-E462 PolarHBondContact O-N 3.49Å; Q460-E462 VanDerWaalsContact C-N 3.25Å; Q460-E462 PolarHBondContact O-N 3.21Å |
| 463 | Q | 47.8 | Very low | 54 | Low | 126 Ų | 126 | 130.8 Ų | 130.8 | 59% | 0.589 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74.5 | -36.2 | 171.2 | -69.1 | -175.2 | 29 | 0 | 0 | 112.1 | E459 Q460 K466 | E459-Q463 WeakPolarHBondContact O-CG 3.34Å; E459-Q463 PolarHBondContact O-N 3.43Å; E459-Q463 VanDerWaalsContact O-N 3.13Å; Q460-Q463 PolarHBondContact O-N 3.41Å; Q463-K466 PolarHBondContact O-N 3.21Å |
| 464 | E | 53.3 | Low | 54.8 | Low | 136 Ų | 136 | 124.6 Ų | 124.6 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.1 | -40.7 | 176.3 | -155 | 161.1 | -136.3 | 0 | 0 | 111.4 | Q460 K466 R467 E468 | Q460-E464 WeakPolarHBondContact O-CB 3.45Å; Q460-E464 PolarHBondContact O-N 3.03Å; E464-K466 PolarHBondContact O-N 3.17Å; E464-K466 VanDerWaalsContact O-N 3.1Å; E464-R467 CarbonylContact O-C 3.56Å; E464-R467 WeakPolarHBondContact O-CA 3.47Å; E464-R467 PolarHBondContact O-N 2.98Å; E464-E468 PolarHBondContact O-N 3.08Å |
| 465 | A | 54.1 | Low | 56 | Low | 57 Ų | 57 | 118.2 Ų | 118.2 | 47% | 0.471 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.1 | -9.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R461 | R461-A465 WeakPolarHBondContact O-CB 3.42Å; R461-A465 PolarHBondContact O-N 3.07Å |
| 466 | K | 52.3 | Low | 57.1 | Low | 175 Ų | 175 | 111.9 Ų | 111.9 | 76% | 0.761 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -13.7 | 167.9 | -79.7 | 178.8 | 178 | 170.4 | 0 | 113.5 | Q463 E464 | Q463-K466 PolarHBondContact O-N 3.21Å; E464-K466 PolarHBondContact O-N 3.17Å; E464-K466 VanDerWaalsContact O-N 3.1Å |
| 467 | R | 49.9 | Very low | 58.1 | Low | 227 Ų | 227 | 107.3 Ų | 107.3 | 86% | 0.857 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | -9.3 | -179.4 | -83.4 | -170.3 | 164 | -149.8 | -3.4 | 113.8 | E464 | E464-R467 CarbonylContact O-C 3.56Å; E464-R467 WeakPolarHBondContact O-CA 3.47Å; E464-R467 PolarHBondContact O-N 2.98Å |
| 468 | E | 42.7 | Very low | 59.4 | Low | 136 Ų | 136 | 104.4 Ų | 104.4 | 64% | 0.636 | 52% | 0.519 | S | S | * | . | trans | -58.4 | 131.2 | 178 | -157.7 | 177.6 | -156.6 | 0 | 0 | 110.5 | E464 | E464-E468 PolarHBondContact O-N 3.08Š| ||
| 469 | P | 50.7 | Low | 60.6 | Low | 108 Ų | 108 | 100.4 Ų | 100.4 | 70% | 0.701 | 51% | 0.507 | S | S | * | . | trans | -55.1 | 159.4 | 169.5 | -23.1 | 33.9 | 0 | 0 | 0 | 110.8 | G471 | P469-G471 PolarHBondContact O-N 3.36Š| ||
| 470 | V | 58 | Low | 61.8 | Low | 107 Ų | 107 | 102 Ų | 102 | 65% | 0.648 | 51% | 0.508 | S | S | * | . | trans | -64.5 | 86.5 | 177.6 | -179 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 471 | G | 53.8 | Low | 63.5 | Low | 30 Ų | 30 | 103.8 Ų | 103.8 | 31% | 0.309 | 51% | 0.509 | S | S | . | . | trans | -79.5 | 133.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P469 D473 T476 | P469-G471 PolarHBondContact O-N 3.36Å; G471-D473 PolarHBondContact O-N 3.49Å; G471-T476 WeakPolarHBondContact O-CG2 3.45Å | ||
| 472 | N | 65.6 | Low | 64.3 | Low | 84 Ų | 84 | 96.2 Ų | 96.2 | 45% | 0.449 | 48% | 0.482 | S | S | . | . | trans | -76.6 | 35 | 171.5 | -69.7 | -2.8 | 0 | 0 | 0 | 111.9 | Q107 | Q107-N472 VanDerWaalsContact CD-ND2 3.27Å; Q107-N472 PolarHBondContact NE2-ND2 3.37Å; Q107-N472 VanDerWaalsContact NE2-ND2 3.14Å; Q107-N472 VanDerWaalsContact OE1-CB 3.28Å; Q107-N472 PolarHBondContact OE1-ND2 2.76Å | ||
| 473 | D | 75.2 | Confident | 64.8 | Low | 81 Ų | 81 | 94.2 Ų | 94.2 | 43% | 0.433 | 48% | 0.484 | S | S | . | . | trans | -72 | 143.5 | 170.7 | 175.8 | 53.1 | 0 | 0 | 0 | 110.1 | G471 A475 T476 I477 | G471-D473 PolarHBondContact O-N 3.49Å; D473-A475 VanDerWaalsContact C-N 3.3Å; D473-A475 PolarHBondContact O-N 3.42Å; D473-A475 WeakPolarHBondContact OD2-CB 3.38Å; D473-A475 PolarHBondContact OD2-N 2.84Å; D473-T476 WeakPolarHBondContact O-CB 3.39Å; D473-T476 PolarHBondContact O-N 2.97Å; D473-T476 VanDerWaalsContact O-N 3.12Å; D473-I477 WeakPolarHBondContact O-CG1 3.49Å; D473-I477 PolarHBondContact O-N 3.41Å | ||
| 474 | V | 73.8 | Confident | 66 | Low | 55 Ų | 55 | 93 Ų | 93 | 33% | 0.333 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | -31.9 | -175.6 | 167.9 | 0 | 0 | 0 | 0 | 111.5 | W161 I477 L478 | W161-V474 HydrophobicContact CH2-CB 3.82Å; W161-V474 HydrophobicContact CH2-CG1 3.74Å; W161-V474 HydrophobicContact CZ3-CB 4.45Å; W161-V474 HydrophobicContact CZ3-CG1 4.01Å; V474-I477 PolarHBondContact O-N 3.5Å; V474-L478 HydrophobicContact CG1-CD1 4.11Å; V474-L478 HydrophobicContact CG1-CG 4.46Å; V474-L478 WeakPolarHBondContact O-CB 3.49Å; V474-L478 VanDerWaalsContact O-CG 3.24Å; V474-L478 WeakPolarHBondContact O-CG 3.37Å; V474-L478 PolarHBondContact O-N 3.3Å |
| 475 | A | 75.8 | Confident | 66.2 | Low | 17 Ų | 17 | 92 Ų | 92 | 14% | 0.14 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -69.7 | -36.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M165 D473 S479 | M165-A475 HydrophobicContact CB-CB 4.38Å; M165-A475 HydrophobicContact CG-CB 4.21Å; M165-A475 HydrophobicContact SD-CB 4Å; D473-A475 VanDerWaalsContact C-N 3.3Å; D473-A475 PolarHBondContact O-N 3.42Å; D473-A475 WeakPolarHBondContact OD2-CB 3.38Å; D473-A475 PolarHBondContact OD2-N 2.84Å; A475-S479 VanDerWaalsContact O-CB 3.27Å; A475-S479 WeakPolarHBondContact O-CB 3.19Å; A475-S479 PolarHBondContact O-N 3.35Å; A475-S479 PolarHBondContact O-OG 3.05Å |
| 476 | T | 78.5 | Confident | 66.2 | Low | 45 Ų | 45 | 95.3 Ų | 95.3 | 28% | 0.276 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 173.4 | -62.5 | 0 | 0 | 0 | 0 | 112 | G471 D473 R480 | G471-T476 WeakPolarHBondContact O-CG2 3.45Å; D473-T476 WeakPolarHBondContact O-CB 3.39Å; D473-T476 PolarHBondContact O-N 2.97Å; D473-T476 VanDerWaalsContact O-N 3.12Å; T476-R480 WeakPolarHBondContact O-CB 3.23Å; T476-R480 PolarHBondContact O-N 3.18Å |
| 477 | I | 78.6 | Confident | 66.2 | Low | 87 Ų | 87 | 91.9 Ų | 91.9 | 45% | 0.446 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 175.5 | -66.8 | 164.8 | 0 | 0 | 0 | 111 | D473 V474 R480 R481 | D473-I477 WeakPolarHBondContact O-CG1 3.49Å; D473-I477 PolarHBondContact O-N 3.41Å; V474-I477 PolarHBondContact O-N 3.5Å; I477-R480 PolarHBondContact O-N 2.87Å; I477-R481 WeakPolarHBondContact O-CB 3.24Å; I477-R481 PolarHBondContact O-N 3.2Å |
| 478 | L | 78.1 | Confident | 65.9 | Low | 40 Ų | 40 | 88.8 Ų | 88.8 | 21% | 0.209 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 175.5 | -72.1 | 169.6 | 0 | 0 | 0 | 111.3 | L166 V474 R480 R481 I482 | L166-L478 HydrophobicContact CD1-CD1 4.27Å; L166-L478 HydrophobicContact CD1-CD2 4.05Å; V474-L478 HydrophobicContact CG1-CD1 4.11Å; V474-L478 HydrophobicContact CG1-CG 4.46Å; V474-L478 WeakPolarHBondContact O-CB 3.49Å; V474-L478 VanDerWaalsContact O-CG 3.24Å; V474-L478 WeakPolarHBondContact O-CG 3.37Å; V474-L478 PolarHBondContact O-N 3.3Å; L478-R480 VanDerWaalsContact C-N 3.33Å; L478-R480 PolarHBondContact O-N 2.93Å; L478-R481 PolarHBondContact O-N 2.78Å; L478-I482 WeakPolarHBondContact O-CG1 3.4Å; L478-I482 PolarHBondContact O-N 2.94Å; L478-I482 VanDerWaalsContact O-N 3.16Å |
| 479 | S | 75.4 | Confident | 65.9 | Low | 54 Ų | 54 | 86.7 Ų | 86.7 | 38% | 0.378 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 175.6 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | A475 A483 | A475-S479 VanDerWaalsContact O-CB 3.27Å; A475-S479 WeakPolarHBondContact O-CB 3.19Å; A475-S479 PolarHBondContact O-N 3.35Å; A475-S479 PolarHBondContact O-OG 3.05Å; S479-A483 VanDerWaalsContact O-CB 3.27Å; S479-A483 WeakPolarHBondContact O-CB 3.21Å; S479-A483 PolarHBondContact O-N 2.77Å; S479-A483 VanDerWaalsContact O-N 3.14Å |
| 480 | R | 78.1 | Confident | 65.6 | Low | 148 Ų | 148 | 87.5 Ų | 87.5 | 56% | 0.558 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68 | -46.2 | 178.4 | 179.5 | -179.6 | -77.1 | -146 | -1.4 | 111.9 | T476 I477 L478 I482 A483 V484 | T476-R480 WeakPolarHBondContact O-CB 3.23Å; T476-R480 PolarHBondContact O-N 3.18Å; I477-R480 PolarHBondContact O-N 2.87Å; L478-R480 VanDerWaalsContact C-N 3.33Å; L478-R480 PolarHBondContact O-N 2.93Å; R480-I482 PolarHBondContact O-N 3.26Å; R480-A483 PolarHBondContact O-N 3.49Å; R480-V484 WeakPolarHBondContact O-CG2 3.29Å; R480-V484 PolarHBondContact O-N 2.8Å; R480-V484 VanDerWaalsContact O-N 3.09Å |
| 481 | R | 78.3 | Confident | 64.9 | Low | 174 Ų | 174 | 89.8 Ų | 89.8 | 66% | 0.657 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.4 | -48.9 | -176.9 | -176.8 | 172.5 | 178.2 | 157.6 | 1.8 | 111.2 | I477 L478 A483 V484 E485 | I477-R481 WeakPolarHBondContact O-CB 3.24Å; I477-R481 PolarHBondContact O-N 3.2Å; L478-R481 PolarHBondContact O-N 2.78Å; R481-A483 VanDerWaalsContact C-N 3.31Å; R481-A483 PolarHBondContact O-N 3.46Å; R481-V484 PolarHBondContact O-N 3.25Å; R481-E485 WeakPolarHBondContact O-CB 3.42Å; R481-E485 PolarHBondContact O-N 2.99Å |
| 482 | I | 71.4 | Confident | 64.8 | Low | 27 Ų | 27 | 96.6 Ų | 96.6 | 14% | 0.138 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -69.5 | -31.1 | 179.3 | -53.8 | 165.5 | 0 | 0 | 0 | 111.2 | L166 T169 L478 R480 V484 Y486 | L166-I482 HydrophobicContact CD1-CD1 3.97Å; T169-I482 HydrophobicContact CG2-CD1 4.2Å; L478-I482 WeakPolarHBondContact O-CG1 3.4Å; L478-I482 PolarHBondContact O-N 2.94Å; L478-I482 VanDerWaalsContact O-N 3.16Å; R480-I482 PolarHBondContact O-N 3.26Å; I482-V484 VanDerWaalsContact C-N 3.28Å; I482-V484 PolarHBondContact O-N 3.02Å; I482-Y486 HydrophobicContact CG2-CD2 3.71Å; I482-Y486 HydrophobicContact CG2-CE2 3.78Å; I482-Y486 WeakPolarHBondContact O-CD2 3.46Å; I482-Y486 PolarHBondContact O-N 3.26Å |
| 483 | A | 69.3 | Low | 63.8 | Low | 65 Ų | 65 | 98 Ų | 98 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.3 | -28.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S479 R480 R481 S487 | S479-A483 VanDerWaalsContact O-CB 3.27Å; S479-A483 WeakPolarHBondContact O-CB 3.21Å; S479-A483 PolarHBondContact O-N 2.77Å; S479-A483 VanDerWaalsContact O-N 3.14Å; R480-A483 PolarHBondContact O-N 3.49Å; R481-A483 VanDerWaalsContact C-N 3.31Å; R481-A483 PolarHBondContact O-N 3.46Å; A483-S487 WeakPolarHBondContact O-CB 3.38Å |
| 484 | V | 72.3 | Confident | 62.3 | Low | 100 Ų | 100 | 103.6 Ų | 103.6 | 61% | 0.606 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -80.9 | -46.8 | 176.1 | 173.3 | 0 | 0 | 0 | 0 | 111 | R480 R481 I482 Y486 S487 | R480-V484 WeakPolarHBondContact O-CG2 3.29Å; R480-V484 PolarHBondContact O-N 2.8Å; R480-V484 VanDerWaalsContact O-N 3.09Å; R481-V484 PolarHBondContact O-N 3.25Å; I482-V484 VanDerWaalsContact C-N 3.28Å; I482-V484 PolarHBondContact O-N 3.02Å; V484-Y486 PolarHBondContact O-N 3.05Å; V484-Y486 VanDerWaalsContact O-N 3.12Å; V484-S487 PolarHBondContact O-N 3.45Å |
| 485 | E | 58.5 | Low | 60.5 | Low | 116 Ų | 116 | 110.9 Ų | 110.9 | 54% | 0.542 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.5 | -21.1 | -173.7 | -165 | 162 | -154.5 | 0 | 0 | 114.2 | R481 | R481-E485 WeakPolarHBondContact O-CB 3.42Å; R481-E485 PolarHBondContact O-N 2.99Å |
| 486 | Y | 53.6 | Low | 59 | Low | 125 Ų | 125 | 116.1 Ų | 116.1 | 49% | 0.49 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.7 | 10.1 | 175.1 | -67.3 | -88.5 | 0 | 0 | 0 | 113.9 | I482 V484 | I482-Y486 HydrophobicContact CG2-CD2 3.71Å; I482-Y486 HydrophobicContact CG2-CE2 3.78Å; I482-Y486 WeakPolarHBondContact O-CD2 3.46Å; I482-Y486 PolarHBondContact O-N 3.26Å; V484-Y486 PolarHBondContact O-N 3.05Å; V484-Y486 VanDerWaalsContact O-N 3.12Å |
| 487 | S | 52.6 | Low | 57.3 | Low | 103 Ų | 103 | 123.6 Ų | 123.6 | 72% | 0.72 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -93.5 | -3.8 | 174.8 | -150.6 | 0 | 0 | 0 | 0 | 113.2 | A483 V484 | A483-S487 WeakPolarHBondContact O-CB 3.38Å; V484-S487 PolarHBondContact O-N 3.45Å |
| 488 | D | 44 | Very low | 55.7 | Low | 162 Ų | 162 | 124.9 Ų | 124.9 | 87% | 0.866 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -119.6 | 13.3 | -171.8 | -147.2 | 32.4 | 0 | 0 | 0 | 111.9 | ||
| 489 | S | 41.5 | Very low | 54.2 | Low | 92 Ų | 92 | 128.5 Ų | 128.5 | 64% | 0.643 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -135.9 | 14.5 | -167.7 | -178.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 490 | D | 45.5 | Very low | 53 | Low | 125 Ų | 125 | 137.8 Ų | 137.8 | 67% | 0.668 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -132.1 | 25.2 | -171.6 | -102.1 | -32 | 0 | 0 | 0 | 112 | R177 | R177-D490 IonicContact NH2-OD2 3.24Š|
| 491 | D | 43.9 | Very low | 51.2 | Low | 156 Ų | 156 | 135.7 Ų | 135.7 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -147 | 38.6 | -178.7 | -153.9 | 33.2 | 0 | 0 | 0 | 115.1 | ||
| 492 | D | 50.4 | Low | 49.4 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 93% | 0.925 | 73% | 0.733 | S | S | * | * | trans | -149.4 | 72.4 | 172.2 | -102.8 | -35.9 | 0 | 0 | 0 | 111.8 | ||||
| 493 | S | 45.6 | Very low | 48.3 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -160.2 | 121.9 | 161.2 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 494 | E | 42.3 | Very low | 47.2 | Very low | 198 Ų | 198 | 148.4 Ų | 148.4 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | trans | 66.9 | 81.1 | 161.6 | -60.8 | -174.9 | 162.6 | 0 | 0 | 117.9 | ||||
| 495 | F | 37.7 | Very low | 45.8 | Very low | 208 Ų | 208 | 151.1 Ų | 151.1 | 91% | 0.912 | 78% | 0.784 | S | S | * | * | trans | -99.7 | 89.7 | 149 | -141 | -80.9 | 0 | 0 | 0 | 109.7 | E497 | F495-E497 PolarHBondContact O-N 2.92Š| ||
| 496 | D | 44.3 | Very low | 45 | Very low | 127 Ų | 127 | 153.2 Ų | 153.2 | 68% | 0.679 | 80% | 0.798 | S | S | * | * | trans | 20.8 | 87.7 | 149.6 | -150.6 | 15.8 | 0 | 0 | 0 | 117.4 | N498 | D496-N498 PolarHBondContact O-N 3.28Š| ||
| 497 | E | 42.4 | Very low | 44.5 | Very low | 203 Ų | 203 | 154.9 Ų | 154.9 | 95% | 0.949 | 82% | 0.817 | S | S | * | * | trans | -82.8 | 65.4 | 173 | -163.2 | 167 | -135.9 | 0 | 0 | 110.4 | F495 D499 | F495-E497 PolarHBondContact O-N 2.92Å; E497-D499 PolarHBondContact O-N 3.19Å; E497-D499 VanDerWaalsContact O-N 3.1Å | ||
| 498 | N | 44.7 | Very low | 43.9 | Very low | 113 Ų | 113 | 158.4 Ų | 158.4 | 60% | 0.604 | 82% | 0.824 | S | S | * | * | trans | -85.1 | 86.7 | -171.1 | -162.2 | 106.4 | 0 | 0 | 0 | 112.7 | D496 | D496-N498 PolarHBondContact O-N 3.28Š| ||
| 499 | D | 47.3 | Very low | 43.9 | Very low | 117 Ų | 117 | 158.1 Ų | 158.1 | 63% | 0.626 | 82% | 0.821 | S | S | * | * | trans | 29.2 | 109.9 | 148.4 | -167.7 | 16.7 | 0 | 0 | 0 | 118.4 | E497 S501 | E497-D499 PolarHBondContact O-N 3.19Å; E497-D499 VanDerWaalsContact O-N 3.1Å; D499-S501 PolarHBondContact OD1-N 3.15Å; D499-S501 PolarHBondContact OD1-OG 3.08Å; D499-S501 VanDerWaalsContact OD1-OG 3.08Å | ||
| 500 | W | 48.7 | Very low | 44.1 | Very low | 248 Ų | 248 | 163.2 Ų | 163.2 | 94% | 0.939 | 83% | 0.834 | S | S | * | * | trans | -132.4 | 90.3 | 158.7 | -84.2 | 86 | 0 | 0 | 0 | 109.9 | ||||
| 501 | S | 39.8 | Very low | 44 | Very low | 104 Ų | 104 | 166.4 Ų | 166.4 | 73% | 0.727 | 85% | 0.848 | S | S | * | * | trans | -143.3 | 79.3 | 170.2 | 4.4 | 0 | 0 | 0 | 0 | 113.2 | D499 | D499-S501 PolarHBondContact OD1-N 3.15Å; D499-S501 PolarHBondContact OD1-OG 3.08Å; D499-S501 VanDerWaalsContact OD1-OG 3.08Å | ||
| 502 | D | 41.1 | Very low | 44 | Very low | 237 Ų | 237 | 167.4 Ų | 167.4 | 100% | 1.267 | 85% | 0.85 | S | S | * | * | trans | -158.9 | 0 | 139 | -158.9 | 27.1 | 0 | 0 | 0 | 109.6 |
Retrieved 502 of 502 residues in 122.9 ms
(Link to these results)