| 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 | 43.1 | Very low | 72.5 | Confident | 213 Ų | 213 | 111.5 Ų | 111.5 | 100% | 1.049 | 55% | 0.554 | S | S | * | * | 0 | 138.6 | 0 | -69.7 | 159.4 | 62.6 | 0 | 0 | 108.7 | L3 | M1-L3 PolarHBondContact O-N 3.28Š| |||
| 2 | P | 51.5 | Low | 73.8 | Confident | 128 Ų | 128 | 110.2 Ų | 110.2 | 83% | 0.831 | 55% | 0.545 | S | S | * | . | trans | -71.9 | 105.3 | 162.3 | 30.4 | -30.5 | 0 | 0 | 0 | 108.5 | V4 | P2-V4 PolarHBondContact O-N 3.04Š| ||
| 3 | L | 57.3 | Low | 74.8 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | trans | -67.4 | 127.7 | 165.7 | -69.7 | 170 | 0 | 0 | 0 | 107.8 | M1 K5 | M1-L3 PolarHBondContact O-N 3.28Å; L3-K5 VanDerWaalsContact C-N 3.32Å; L3-K5 PolarHBondContact O-N 3.49Å | ||
| 4 | V | 62 | Low | 75.4 | Confident | 98 Ų | 98 | 104.2 Ų | 104.2 | 59% | 0.594 | 53% | 0.527 | S | S | * | . | trans | -68.7 | 94.2 | 173.1 | -178.8 | 0 | 0 | 0 | 0 | 107.3 | P2 R6 N7 | P2-V4 PolarHBondContact O-N 3.04Å; V4-R6 PolarHBondContact O-N 3.07Å; V4-N7 WeakPolarHBondContact CG1-OD1 3.45Å | ||
| 5 | K | 64.5 | Low | 75.9 | Confident | 107 Ų | 107 | 110.5 Ų | 110.5 | 47% | 0.465 | 54% | 0.542 | S | S | . | . | trans | -60.1 | -42.9 | -170.4 | -70.4 | -171.8 | 176.9 | -174.9 | 0 | 112.6 | L3 P120 V121 | L3-K5 VanDerWaalsContact C-N 3.32Å; L3-K5 PolarHBondContact O-N 3.49Å; K5-P120 WeakPolarHBondContact O-CB 3.32Å; K5-V121 HydrophobicContact CG-CG2 4.47Å | ||
| 6 | R | 80.1 | Confident | 76.2 | Confident | 48 Ų | 48 | 107.5 Ų | 107.5 | 18% | 0.181 | 55% | 0.548 | C | S | . | . | trans | -128.2 | 116.5 | -169.1 | -70.9 | 177.2 | 175.7 | 108 | 15.3 | 109 | V4 H47 D50 I51 E54 P120 | V4-R6 PolarHBondContact O-N 3.07Å; R6-H47 HydrophobicContact CB-CB 4.45Å; R6-H47 WeakPolarHBondContact CB-ND1 3.15Å; R6-H47 WeakPolarHBondContact CG-ND1 3.33Å; R6-D50 IonicContact CZ-OD2 3.33Å; R6-D50 IonicContact NE-OD2 2.65Å; R6-D50 PolarHBondContact NE-OD2 3.15Å; R6-D50 VanDerWaalsContact NH2-CG 3.27Å; R6-D50 IonicContact NH2-OD1 3.91Å; R6-D50 IonicContact NH2-OD2 2.93Å; R6-D50 PolarHBondContact NH2-OD2 3.02Å; R6-I51 VanDerWaalsContact NH1-CG1 3.27Å; R6-E54 IonicContact CZ-OE1 2.84Å; R6-E54 IonicContact CZ-OE2 3.57Å; R6-E54 IonicContact NH1-OE1 2.71Å; R6-E54 IonicContact NH1-OE2 2.75Å; R6-E54 PolarHBondContact NH1-OE2 3.05Å; R6-E54 IonicContact NH2-OE1 2.69Å; R6-E54 PolarHBondContact NH2-OE1 3.24Å; R6-E54 IonicContact NH2-OE2 2.63Å; R6-E54 PolarHBondContact NH2-OE2 2.63Å; R6-P120 HydrophobicContact CG-CB 3.91Å; R6-P120 HydrophobicContact CG-CG 3.63Å; R6-P120 VanDerWaalsContact NE-CG 3.32Å | ||
| 7 | N | 84.3 | Confident | 76.6 | Confident | 72 Ų | 72 | 107.2 Ų | 107.2 | 39% | 0.385 | 57% | 0.566 | S | S | . | * | trans | -104.6 | 131.1 | 177.9 | -72.3 | -50.5 | 0 | 0 | 0 | 110 | V4 H47 | V4-N7 WeakPolarHBondContact CG1-OD1 3.45Å; N7-H47 PolarHBondContact O-NE2 3.05Å | ||
| 8 | I | 88.6 | Confident | 77 | Confident | 74 Ų | 74 | 104.4 Ų | 104.4 | 38% | 0.379 | 55% | 0.551 | S | S | . | * | trans | -86.4 | 130.6 | 176.2 | -57.5 | 173.1 | 0 | 0 | 0 | 109.3 | Q40 L44 | I8-Q40 HydrophobicContact CG2-CB 3.98Å; I8-Q40 HydrophobicContact CG2-CG 4.12Å; I8-Q40 WeakPolarHBondContact CG2-O 3.43Å; I8-L44 HydrophobicContact CD1-CB 4.43Å; I8-L44 HydrophobicContact CD1-CD1 3.99Å | ||
| 9 | E | 88.6 | Confident | 77.5 | Confident | 131 Ų | 131 | 103.2 Ų | 103.2 | 61% | 0.612 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -121 | 143.1 | -179.1 | -64.5 | -167.2 | 170.5 | 0 | 0 | 112.5 | R39 Q40 S43 | E9-R39 CarbonylContact O-C 3.59Å; E9-Q40 WeakPolarHBondContact O-CA 3.25Å; E9-Q40 PolarHBondContact O-N 2.99Å; E9-S43 PolarHBondContact N-OG 3.22Å; E9-S43 VanDerWaalsContact O-CB 3.31Å; E9-S43 WeakPolarHBondContact O-CB 3.2Å |
| 10 | P | 90.6 | Very high | 77.8 | Confident | 30 Ų | 30 | 106.5 Ų | 106.5 | 20% | 0.195 | 57% | 0.567 | C | S | . | * | cis | -75.6 | 139 | -3 | 31.1 | -36.2 | 0 | 0 | 0 | 112.5 | H12 A36 R39 Q40 | P10-H12 PolarHBondContact O-N 3.26Å; P10-A36 HydrophobicContact CG-CB 3.87Å; P10-R39 HydrophobicContact CG-CB 4.47Å; P10-Q40 HydrophobicContact CG-CG 4.37Å; P10-Q40 VanDerWaalsContact O-CG 3.3Å; P10-Q40 WeakPolarHBondContact O-CG 3.36Å; P10-Q40 PolarHBondContact O-NE2 2.83Å | ||
| 11 | R | 86.6 | Confident | 78.2 | Confident | 207 Ų | 207 | 105.6 Ų | 105.6 | 78% | 0.781 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -67.2 | -20.7 | -178.9 | -173.4 | 171.8 | 179.8 | 178.3 | 1.1 | 114.5 | ||
| 12 | H | 88.7 | Confident | 80.2 | Confident | 96 Ų | 96 | 98.2 Ų | 98.2 | 44% | 0.444 | 55% | 0.548 | S | S | . | . | trans | -126.2 | 133.2 | 178.4 | -53.5 | 113.8 | 0 | 0 | 0 | 109.8 | P10 R15 | P10-H12 PolarHBondContact O-N 3.26Å; H12-R15 HydrophobicContact CB-CB 4.03Å; H12-R15 HydrophobicContact CB-CG 4.06Å; H12-R15 PolarHBondContact NE2-NH1 3.34Å; H12-R15 VanDerWaalsContact NE2-NH1 3.2Å | ||
| 13 | L | 87.1 | Confident | 81.7 | Confident | 54 Ų | 54 | 96.5 Ų | 96.5 | 28% | 0.283 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -88.4 | -43.9 | -177 | -62.7 | 174.8 | 0 | 0 | 0 | 113.2 | T33 A36 I37 Q40 | L13-T33 HydrophobicContact CB-CG2 4.25Å; L13-A36 HydrophobicContact CB-CB 4.38Å; L13-A36 VanDerWaalsContact CD2-C 3.5Å; L13-A36 HydrophobicContact CD2-CB 3.54Å; L13-I37 HydrophobicContact CD1-CD1 4.22Å; L13-I37 HydrophobicContact CD1-CG1 3.68Å; L13-I37 HydrophobicContact CD2-CG1 3.77Å; L13-I37 HydrophobicContact CG-CG1 4.35Å; L13-Q40 HydrophobicContact CD2-CG 4.07Å |
| 14 | C | 83.3 | Confident | 83.2 | Confident | 83 Ų | 83 | 92.9 Ų | 92.9 | 56% | 0.561 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -117.1 | 27.1 | -167.3 | -40 | 0 | 0 | 0 | 0 | 113.6 | T33 | C14-T33 PolarHBondContact SG-OG1 2.87Š|
| 15 | R | 82.9 | Confident | 84.6 | Confident | 198 Ų | 198 | 94.4 Ų | 94.4 | 75% | 0.747 | 54% | 0.539 | S | S | * | . | trans | -105.5 | 10.2 | -174.8 | -72.5 | -167.6 | 178.2 | -179 | -5 | 115.2 | H12 | H12-R15 HydrophobicContact CB-CB 4.03Å; H12-R15 HydrophobicContact CB-CG 4.06Å; H12-R15 PolarHBondContact NE2-NH1 3.34Å; H12-R15 VanDerWaalsContact NE2-NH1 3.2Å | ||
| 16 | G | 79.9 | Confident | 85.9 | Confident | 63 Ų | 63 | 95.2 Ų | 95.2 | 65% | 0.649 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -76.1 | 145.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 17 | A | 82.4 | Confident | 86.4 | Confident | 102 Ų | 102 | 98.6 Ų | 98.6 | 84% | 0.843 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 147.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 18 | L | 85.4 | Confident | 86.6 | Confident | 58 Ų | 58 | 96.4 Ų | 96.4 | 30% | 0.304 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -87.2 | 151.3 | 174.1 | -61.4 | 178.7 | 0 | 0 | 0 | 110.4 | I22 E25 C28 V29 | L18-I22 HydrophobicContact CB-CD1 3.87Å; L18-I22 HydrophobicContact CD1-CD1 4.02Å; L18-I22 HydrophobicContact CG-CD1 4.35Å; L18-E25 HydrophobicContact CD1-CB 3.83Å; L18-E25 HydrophobicContact CD1-CG 4.06Å; L18-C28 HydrophobicContact CD2-CB 4.27Å; L18-V29 HydrophobicContact CD1-CG2 3.83Å; L18-V29 HydrophobicContact CD2-CG2 3.85Å; L18-V29 HydrophobicContact CG-CG2 4.32Å |
| 19 | P | 85.2 | Confident | 86.8 | Confident | 80 Ų | 80 | 95.4 Ų | 95.4 | 52% | 0.519 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 147.6 | 168.5 | -17.3 | 31.2 | 0 | 0 | 0 | 111.6 | I22 | P19-I22 WeakPolarHBondContact O-CG1 3.33Š|
| 20 | D | 84.6 | Confident | 86.9 | Confident | 169 Ų | 169 | 94 Ų | 94 | 90% | 0.904 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 144.9 | 171.2 | -60.6 | -61.1 | 0 | 0 | 0 | 111.7 | ||
| 21 | G | 85.1 | Confident | 87 | Confident | 88 Ų | 88 | 97.4 Ų | 97.4 | 91% | 0.907 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.8 | 10.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 22 | I | 85.4 | Confident | 87.3 | Confident | 58 Ų | 58 | 91.5 Ų | 91.5 | 30% | 0.297 | 55% | 0.548 | S | S | . | . | trans | -70.7 | 138.2 | 170.9 | 47.9 | 179.9 | 0 | 0 | 0 | 112.4 | L18 P19 E25 C28 | L18-I22 HydrophobicContact CB-CD1 3.87Å; L18-I22 HydrophobicContact CD1-CD1 4.02Å; L18-I22 HydrophobicContact CG-CD1 4.35Å; P19-I22 WeakPolarHBondContact O-CG1 3.33Å; I22-E25 HydrophobicContact CD1-CB 4.44Å; I22-E25 HydrophobicContact CD1-CG 4.04Å; I22-E25 HydrophobicContact CG1-CG 4.17Å; I22-C28 HydrophobicContact CD1-CB 3.72Å | ||
| 23 | G | 83.6 | Confident | 87.5 | Confident | 93 Ų | 93 | 88.1 Ų | 88.1 | 96% | 0.959 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -76.7 | -21.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 24 | S | 89.2 | Confident | 87.9 | Confident | 42 Ų | 42 | 89.8 Ų | 89.8 | 29% | 0.294 | 54% | 0.543 | S | S | . | . | trans | -142 | 96.1 | 177.3 | -175 | 0 | 0 | 0 | 0 | 110.3 | L26 E27 C28 | S24-L26 VanDerWaalsContact C-N 3.28Å; S24-L26 PolarHBondContact O-N 2.78Å; S24-E27 WeakPolarHBondContact CB-OE1 3.18Å; S24-E27 PolarHBondContact O-N 2.81Å; S24-E27 WeakPolarHBondContact OG-CG 3.44Å; S24-E27 PolarHBondContact OG-OE1 3.38Å; S24-C28 PolarHBondContact O-N 3.08Å; S24-C28 VanDerWaalsContact O-N 3.15Å | ||
| 25 | E | 90.9 | Very high | 88.4 | Confident | 129 Ų | 129 | 88.8 Ų | 88.8 | 60% | 0.603 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.4 | -39.9 | 177.8 | -66.7 | -177 | -175.6 | 0 | 0 | 111.9 | L18 I22 C28 V29 | L18-E25 HydrophobicContact CD1-CB 3.83Å; L18-E25 HydrophobicContact CD1-CG 4.06Å; I22-E25 HydrophobicContact CD1-CB 4.44Å; I22-E25 HydrophobicContact CD1-CG 4.04Å; I22-E25 HydrophobicContact CG1-CG 4.17Å; E25-C28 WeakPolarHBondContact O-CB 3.34Å; E25-C28 PolarHBondContact O-N 3.22Å; E25-V29 WeakPolarHBondContact O-CG2 3.27Å; E25-V29 PolarHBondContact O-N 3.42Å |
| 26 | L | 90.8 | Very high | 89 | Confident | 125 Ų | 125 | 79.9 Ų | 79.9 | 65% | 0.654 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | -177.6 | -177.5 | 60.3 | 0 | 0 | 0 | 112.2 | S24 C28 V29 M30 | S24-L26 VanDerWaalsContact C-N 3.28Å; S24-L26 PolarHBondContact O-N 2.78Å; L26-C28 VanDerWaalsContact C-N 3.35Å; L26-V29 PolarHBondContact O-N 3.34Å; L26-M30 VanDerWaalsContact O-CB 3.28Å; L26-M30 WeakPolarHBondContact O-CB 3.47Å; L26-M30 PolarHBondContact O-N 3.07Å |
| 27 | E | 90.7 | Very high | 89.8 | Confident | 118 Ų | 118 | 79.8 Ų | 79.8 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66 | -38 | 173.4 | -74.3 | 160.3 | -120.8 | 0 | 0 | 111.6 | S24 M30 N31 | S24-E27 WeakPolarHBondContact CB-OE1 3.18Å; S24-E27 PolarHBondContact O-N 2.81Å; S24-E27 WeakPolarHBondContact OG-CG 3.44Å; S24-E27 PolarHBondContact OG-OE1 3.38Å; E27-M30 PolarHBondContact O-N 2.73Å; E27-N31 WeakPolarHBondContact O-CB 3.4Å; E27-N31 PolarHBondContact O-N 3.38Å; E27-N31 PolarHBondContact O-ND2 2.86Å |
| 28 | C | 89.3 | Confident | 90.4 | Very high | 27 Ų | 27 | 80.5 Ų | 80.5 | 18% | 0.182 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 175 | -165.6 | 0 | 0 | 0 | 0 | 111.4 | L18 I22 S24 E25 L26 M30 N31 N32 | L18-C28 HydrophobicContact CD2-CB 4.27Å; I22-C28 HydrophobicContact CD1-CB 3.72Å; S24-C28 PolarHBondContact O-N 3.08Å; S24-C28 VanDerWaalsContact O-N 3.15Å; E25-C28 WeakPolarHBondContact O-CB 3.34Å; E25-C28 PolarHBondContact O-N 3.22Å; L26-C28 VanDerWaalsContact C-N 3.35Å; C28-M30 VanDerWaalsContact C-N 3.34Å; C28-M30 PolarHBondContact O-N 3.49Å; C28-N31 PolarHBondContact O-N 3.23Å; C28-N32 VanDerWaalsContact O-CB 3.26Å; C28-N32 WeakPolarHBondContact O-CB 3.39Å; C28-N32 PolarHBondContact O-N 3.27Å; C28-N32 PolarHBondContact O-ND2 2.9Å; C28-N32 VanDerWaalsContact O-ND2 3.1Å |
| 29 | V | 92.3 | Very high | 90.9 | Very high | 53 Ų | 53 | 85.4 Ų | 85.4 | 32% | 0.321 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.1 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | L18 E25 L26 T33 | L18-V29 HydrophobicContact CD1-CG2 3.83Å; L18-V29 HydrophobicContact CD2-CG2 3.85Å; L18-V29 HydrophobicContact CG-CG2 4.32Å; E25-V29 WeakPolarHBondContact O-CG2 3.27Å; E25-V29 PolarHBondContact O-N 3.42Å; L26-V29 PolarHBondContact O-N 3.34Å; V29-T33 VanDerWaalsContact O-CB 3.23Å; V29-T33 WeakPolarHBondContact O-CB 3.29Å; V29-T33 PolarHBondContact O-N 3.48Å; V29-T33 PolarHBondContact O-OG1 3.16Å |
| 30 | M | 91.8 | Very high | 91.4 | Very high | 101 Ų | 101 | 84.2 Ų | 84.2 | 50% | 0.498 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.3 | -49.3 | -179.8 | -167.9 | -171 | -50.7 | 0 | 0 | 111.6 | L26 E27 C28 T33 L34 | L26-M30 VanDerWaalsContact O-CB 3.28Å; L26-M30 WeakPolarHBondContact O-CB 3.47Å; L26-M30 PolarHBondContact O-N 3.07Å; E27-M30 PolarHBondContact O-N 2.73Å; C28-M30 VanDerWaalsContact C-N 3.34Å; C28-M30 PolarHBondContact O-N 3.49Å; M30-T33 WeakPolarHBondContact O-CB 3.46Å; M30-T33 PolarHBondContact O-N 3.46Å; M30-L34 HydrophobicContact CG-CD1 4.3Å; M30-L34 WeakPolarHBondContact O-CG 3.35Å; M30-L34 PolarHBondContact O-N 3.33Å |
| 31 | N | 92 | Very high | 92 | Very high | 101 Ų | 101 | 80.9 Ų | 80.9 | 54% | 0.54 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 178.8 | -72.9 | -40.2 | 0 | 0 | 0 | 112.2 | E27 C28 T33 L34 S35 | E27-N31 WeakPolarHBondContact O-CB 3.4Å; E27-N31 PolarHBondContact O-N 3.38Å; E27-N31 PolarHBondContact O-ND2 2.86Å; C28-N31 PolarHBondContact O-N 3.23Å; N31-T33 VanDerWaalsContact C-N 3.35Å; N31-L34 PolarHBondContact O-N 3.49Å; N31-S35 WeakPolarHBondContact O-CB 3.32Å; N31-S35 PolarHBondContact O-N 3.18Å |
| 32 | N | 91.7 | Very high | 92.5 | Very high | 83 Ų | 83 | 80.6 Ų | 80.6 | 44% | 0.444 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 172.6 | -75.2 | -31.7 | 0 | 0 | 0 | 111.8 | C28 S35 A36 | C28-N32 VanDerWaalsContact O-CB 3.26Å; C28-N32 WeakPolarHBondContact O-CB 3.39Å; C28-N32 PolarHBondContact O-N 3.27Å; C28-N32 PolarHBondContact O-ND2 2.9Å; C28-N32 VanDerWaalsContact O-ND2 3.1Å; N32-S35 PolarHBondContact O-N 3.37Å; N32-A36 VanDerWaalsContact O-CB 3.29Å; N32-A36 WeakPolarHBondContact O-CB 3.36Å; N32-A36 PolarHBondContact O-N 3.07Å |
| 33 | T | 93.8 | Very high | 93 | Very high | 25 Ų | 25 | 78.9 Ų | 78.9 | 15% | 0.153 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 176.7 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | L13 C14 V29 M30 N31 A36 I37 | L13-T33 HydrophobicContact CB-CG2 4.25Å; C14-T33 PolarHBondContact SG-OG1 2.87Å; V29-T33 VanDerWaalsContact O-CB 3.23Å; V29-T33 WeakPolarHBondContact O-CB 3.29Å; V29-T33 PolarHBondContact O-N 3.48Å; V29-T33 PolarHBondContact O-OG1 3.16Å; M30-T33 WeakPolarHBondContact O-CB 3.46Å; M30-T33 PolarHBondContact O-N 3.46Å; N31-T33 VanDerWaalsContact C-N 3.35Å; T33-A36 PolarHBondContact O-N 2.82Å; T33-I37 HydrophobicContact CG2-CD1 4.04Å; T33-I37 VanDerWaalsContact O-CG1 3.3Å; T33-I37 WeakPolarHBondContact O-CG1 3.5Å; T33-I37 PolarHBondContact O-N 3.05Å |
| 34 | L | 95.6 | Very high | 93.5 | Very high | 89 Ų | 89 | 78.5 Ų | 78.5 | 47% | 0.466 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 176.7 | -71.1 | 170 | 0 | 0 | 0 | 111.8 | M30 N31 A36 I37 I38 | M30-L34 HydrophobicContact CG-CD1 4.3Å; M30-L34 WeakPolarHBondContact O-CG 3.35Å; M30-L34 PolarHBondContact O-N 3.33Å; N31-L34 PolarHBondContact O-N 3.49Å; L34-A36 VanDerWaalsContact C-N 3.33Å; L34-A36 PolarHBondContact O-N 3.2Å; L34-I37 PolarHBondContact O-N 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.16Å; L34-I38 PolarHBondContact O-N 3.22Å |
| 35 | S | 94.6 | Very high | 93.9 | Very high | 63 Ų | 63 | 80.2 Ų | 80.2 | 44% | 0.441 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 173.9 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | N31 N32 I38 R39 | N31-S35 WeakPolarHBondContact O-CB 3.32Å; N31-S35 PolarHBondContact O-N 3.18Å; N32-S35 PolarHBondContact O-N 3.37Å; S35-I38 PolarHBondContact O-N 3.27Å; S35-R39 WeakPolarHBondContact O-CG 3.25Å; S35-R39 PolarHBondContact O-N 3.44Å |
| 36 | A | 94.6 | Very high | 94 | Very high | 11 Ų | 11 | 78.5 Ų | 78.5 | 9% | 0.091 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66 | -36.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P10 L13 N32 T33 L34 R39 Q40 | P10-A36 HydrophobicContact CG-CB 3.87Å; L13-A36 HydrophobicContact CB-CB 4.38Å; L13-A36 VanDerWaalsContact CD2-C 3.5Å; L13-A36 HydrophobicContact CD2-CB 3.54Å; N32-A36 VanDerWaalsContact O-CB 3.29Å; N32-A36 WeakPolarHBondContact O-CB 3.36Å; N32-A36 PolarHBondContact O-N 3.07Å; T33-A36 PolarHBondContact O-N 2.82Å; L34-A36 VanDerWaalsContact C-N 3.33Å; L34-A36 PolarHBondContact O-N 3.2Å; A36-R39 PolarHBondContact O-N 3.22Å; A36-Q40 WeakPolarHBondContact O-CG 3.33Å; A36-Q40 PolarHBondContact O-N 3.11Å |
| 37 | I | 96.3 | Very high | 94 | Very high | 61 Ų | 61 | 73.7 Ų | 73.7 | 31% | 0.313 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 173.2 | -70.2 | 165.2 | 0 | 0 | 0 | 110.7 | L13 T33 L34 R39 Q40 L41 | L13-I37 HydrophobicContact CD1-CD1 4.22Å; L13-I37 HydrophobicContact CD1-CG1 3.68Å; L13-I37 HydrophobicContact CD2-CG1 3.77Å; L13-I37 HydrophobicContact CG-CG1 4.35Å; T33-I37 HydrophobicContact CG2-CD1 4.04Å; T33-I37 VanDerWaalsContact O-CG1 3.3Å; T33-I37 WeakPolarHBondContact O-CG1 3.5Å; T33-I37 PolarHBondContact O-N 3.05Å; L34-I37 PolarHBondContact O-N 3.26Å; I37-R39 VanDerWaalsContact C-N 3.26Å; I37-R39 PolarHBondContact O-N 2.87Å; I37-Q40 WeakPolarHBondContact O-CB 3.25Å; I37-Q40 PolarHBondContact O-N 3.18Å; I37-Q40 VanDerWaalsContact O-N 3.13Å; I37-L41 HydrophobicContact CG2-CD1 4.07Å; I37-L41 HydrophobicContact CG2-CG 4.42Å; I37-L41 WeakPolarHBondContact O-CG 3.34Å; I37-L41 PolarHBondContact O-N 3.33Å |
| 38 | I | 96.4 | Very high | 94.2 | Very high | 116 Ų | 116 | 69.6 Ų | 69.6 | 60% | 0.595 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.5 | -39.8 | 177.1 | -67.8 | 163.5 | 0 | 0 | 0 | 110.6 | L34 S35 L41 S42 | L34-I38 WeakPolarHBondContact O-CG1 3.16Å; L34-I38 PolarHBondContact O-N 3.22Å; S35-I38 PolarHBondContact O-N 3.27Å; I38-L41 PolarHBondContact O-N 3.17Å; I38-S42 PolarHBondContact O-N 2.96Å |
| 39 | R | 95.6 | Very high | 94.5 | Very high | 162 Ų | 162 | 75.3 Ų | 75.3 | 61% | 0.611 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.5 | -41.6 | 174 | -70.1 | 177 | 66.1 | -179.4 | 0.9 | 112.9 | E9 P10 S35 A36 I37 L41 S42 S43 | E9-R39 CarbonylContact O-C 3.59Å; P10-R39 HydrophobicContact CG-CB 4.47Å; S35-R39 WeakPolarHBondContact O-CG 3.25Å; S35-R39 PolarHBondContact O-N 3.44Å; A36-R39 PolarHBondContact O-N 3.22Å; I37-R39 VanDerWaalsContact C-N 3.26Å; I37-R39 PolarHBondContact O-N 2.87Å; R39-L41 VanDerWaalsContact C-N 3.33Å; R39-L41 PolarHBondContact O-N 3.34Å; R39-S42 PolarHBondContact O-N 3.41Å; R39-S43 WeakPolarHBondContact O-CB 3.5Å; R39-S43 PolarHBondContact O-N 3.33Å |
| 40 | Q | 95.4 | Very high | 94.5 | Very high | 54 Ų | 54 | 74.6 Ų | 74.6 | 25% | 0.252 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 172.8 | -77.4 | -170.5 | -7.3 | 0 | 0 | 111.9 | I8 E9 P10 L13 A36 I37 S43 L44 | I8-Q40 HydrophobicContact CG2-CB 3.98Å; I8-Q40 HydrophobicContact CG2-CG 4.12Å; I8-Q40 WeakPolarHBondContact CG2-O 3.43Å; E9-Q40 WeakPolarHBondContact O-CA 3.25Å; E9-Q40 PolarHBondContact O-N 2.99Å; P10-Q40 HydrophobicContact CG-CG 4.37Å; P10-Q40 VanDerWaalsContact O-CG 3.3Å; P10-Q40 WeakPolarHBondContact O-CG 3.36Å; P10-Q40 PolarHBondContact O-NE2 2.83Å; L13-Q40 HydrophobicContact CD2-CG 4.07Å; A36-Q40 WeakPolarHBondContact O-CG 3.33Å; A36-Q40 PolarHBondContact O-N 3.11Å; I37-Q40 WeakPolarHBondContact O-CB 3.25Å; I37-Q40 PolarHBondContact O-N 3.18Å; I37-Q40 VanDerWaalsContact O-N 3.13Å; Q40-S43 PolarHBondContact O-N 3.2Å; Q40-L44 WeakPolarHBondContact O-CB 3.49Å; Q40-L44 PolarHBondContact O-N 3.47Å |
| 41 | L | 96.7 | Very high | 94.5 | Very high | 99 Ų | 99 | 73 Ų | 73 | 52% | 0.518 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 177.6 | -69.3 | 172.3 | 0 | 0 | 0 | 111.5 | I37 I38 R39 S43 L44 S45 | I37-L41 HydrophobicContact CG2-CD1 4.07Å; I37-L41 HydrophobicContact CG2-CG 4.42Å; I37-L41 WeakPolarHBondContact O-CG 3.34Å; I37-L41 PolarHBondContact O-N 3.33Å; I38-L41 PolarHBondContact O-N 3.17Å; R39-L41 VanDerWaalsContact C-N 3.33Å; R39-L41 PolarHBondContact O-N 3.34Å; L41-S43 PolarHBondContact O-N 3.27Å; L41-L44 PolarHBondContact O-N 3.48Å; L41-S45 PolarHBondContact O-N 3.17Å; L41-S45 PolarHBondContact O-OG 3.16Å |
| 42 | S | 96.8 | Very high | 94.8 | Very high | 82 Ų | 82 | 75 Ų | 75 | 57% | 0.573 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.9 | -43.2 | 173 | 176.7 | 0 | 0 | 0 | 0 | 112.5 | I38 R39 S45 K46 | I38-S42 PolarHBondContact O-N 2.96Å; R39-S42 PolarHBondContact O-N 3.41Å; S42-S45 PolarHBondContact O-N 3.05Å; S42-K46 PolarHBondContact O-N 3.33Å; S42-K46 VanDerWaalsContact O-N 3.08Å |
| 43 | S | 94.3 | Very high | 95 | Very high | 22 Ų | 22 | 72.3 Ų | 72.3 | 15% | 0.154 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.7 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | E9 R39 Q40 L41 K46 H47 | E9-S43 PolarHBondContact N-OG 3.22Å; E9-S43 VanDerWaalsContact O-CB 3.31Å; E9-S43 WeakPolarHBondContact O-CB 3.2Å; R39-S43 WeakPolarHBondContact O-CB 3.5Å; R39-S43 PolarHBondContact O-N 3.33Å; Q40-S43 PolarHBondContact O-N 3.2Å; L41-S43 PolarHBondContact O-N 3.27Å; S43-K46 PolarHBondContact O-N 3.06Å; S43-H47 PolarHBondContact O-CD2 2.7Å; S43-H47 PolarHBondContact O-N 3.17Å; S43-H47 VanDerWaalsContact O-N 3.14Å |
| 44 | L | 95.1 | Very high | 95 | Very high | 85 Ų | 85 | 74.6 Ų | 74.6 | 45% | 0.445 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 174.6 | 177 | 60.9 | 0 | 0 | 0 | 112.1 | I8 Q40 L41 H47 A48 | I8-L44 HydrophobicContact CD1-CB 4.43Å; I8-L44 HydrophobicContact CD1-CD1 3.99Å; Q40-L44 WeakPolarHBondContact O-CB 3.49Å; Q40-L44 PolarHBondContact O-N 3.47Å; L41-L44 PolarHBondContact O-N 3.48Å; L44-H47 PolarHBondContact O-N 3.29Å; L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 3.15Å |
| 45 | S | 96.8 | Very high | 95 | Very high | 78 Ų | 78 | 75.5 Ų | 75.5 | 55% | 0.545 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 175.6 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | L41 S42 H47 A48 E49 | L41-S45 PolarHBondContact O-N 3.17Å; L41-S45 PolarHBondContact O-OG 3.16Å; S42-S45 PolarHBondContact O-N 3.05Å; S45-H47 VanDerWaalsContact C-N 3.32Å; S45-H47 PolarHBondContact O-N 2.86Å; S45-A48 PolarHBondContact O-N 2.94Å; S45-E49 WeakPolarHBondContact O-CB 3.37Å; S45-E49 PolarHBondContact O-N 3.16Å |
| 46 | K | 93.1 | Very high | 95.2 | Very high | 94 Ų | 94 | 79 Ų | 79 | 41% | 0.409 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.5 | -45 | 173.5 | -171.8 | -158.4 | 173.9 | -171.3 | 0 | 111.4 | S42 S43 A48 E49 D50 E123 | S42-K46 PolarHBondContact O-N 3.33Å; S42-K46 VanDerWaalsContact O-N 3.08Å; S43-K46 PolarHBondContact O-N 3.06Å; K46-A48 VanDerWaalsContact C-N 3.34Å; K46-A48 PolarHBondContact O-N 2.91Å; K46-E49 PolarHBondContact O-N 3.01Å; K46-D50 WeakPolarHBondContact O-CB 3.44Å; K46-D50 PolarHBondContact O-N 3.29Å; K46-E123 IonicContact NZ-OE1 3.14Å; K46-E123 PolarHBondContact NZ-OE1 3.46Å; K46-E123 IonicContact NZ-OE2 2.87Å; K46-E123 PolarHBondContact NZ-OE2 3.4Å |
| 47 | H | 91.9 | Very high | 95.3 | Very high | 23 Ų | 23 | 82.7 Ų | 82.7 | 11% | 0.106 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.5 | -32.9 | 179.3 | -71.1 | -49.8 | 0 | 0 | 0 | 113 | R6 N7 S43 L44 S45 I51 | R6-H47 HydrophobicContact CB-CB 4.45Å; R6-H47 WeakPolarHBondContact CB-ND1 3.15Å; R6-H47 WeakPolarHBondContact CG-ND1 3.33Å; N7-H47 PolarHBondContact O-NE2 3.05Å; S43-H47 PolarHBondContact O-CD2 2.7Å; S43-H47 PolarHBondContact O-N 3.17Å; S43-H47 VanDerWaalsContact O-N 3.14Å; L44-H47 PolarHBondContact O-N 3.29Å; S45-H47 VanDerWaalsContact C-N 3.32Å; S45-H47 PolarHBondContact O-N 2.86Å; H47-I51 WeakPolarHBondContact O-CD1 3.42Å; H47-I51 WeakPolarHBondContact O-CG1 3.37Å; H47-I51 PolarHBondContact O-N 3.36Å; H47-I51 VanDerWaalsContact O-N 3.14Å |
| 48 | A | 94.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 85.6 Ų | 85.6 | 27% | 0.273 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.8 | -44.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | L44 S45 K46 D50 I51 F52 | L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 3.15Å; S45-A48 PolarHBondContact O-N 2.94Å; K46-A48 VanDerWaalsContact C-N 3.34Å; K46-A48 PolarHBondContact O-N 2.91Å; A48-D50 PolarHBondContact O-N 2.7Å; A48-I51 PolarHBondContact O-N 3.06Å; A48-F52 HydrophobicContact CB-CD2 4.44Å; A48-F52 HydrophobicContact CB-CE2 4.35Å; A48-F52 WeakPolarHBondContact O-CD2 3.38Å; A48-F52 PolarHBondContact O-N 3.46Å |
| 49 | E | 94.8 | Very high | 95.5 | Very high | 147 Ų | 147 | 82.9 Ų | 82.9 | 69% | 0.687 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -56.3 | -48.4 | 174.5 | -176 | -174.8 | 172.6 | 0 | 0 | 111.5 | S45 K46 I51 F52 G53 | S45-E49 WeakPolarHBondContact O-CB 3.37Å; S45-E49 PolarHBondContact O-N 3.16Å; K46-E49 PolarHBondContact O-N 3.01Å; E49-I51 PolarHBondContact O-N 3.46Å; E49-F52 PolarHBondContact O-N 2.72Å; E49-G53 PolarHBondContact O-N 3.08Å |
| 50 | D | 92.1 | Very high | 95.6 | Very high | 37 Ų | 37 | 77.9 Ų | 77.9 | 20% | 0.198 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.8 | -39 | 178.1 | -175.1 | 40.5 | 0 | 0 | 0 | 112.1 | R6 K46 A48 E54 P120 | R6-D50 IonicContact CZ-OD2 3.33Å; R6-D50 IonicContact NE-OD2 2.65Å; R6-D50 PolarHBondContact NE-OD2 3.15Å; R6-D50 VanDerWaalsContact NH2-CG 3.27Å; R6-D50 IonicContact NH2-OD1 3.91Å; R6-D50 IonicContact NH2-OD2 2.93Å; R6-D50 PolarHBondContact NH2-OD2 3.02Å; K46-D50 WeakPolarHBondContact O-CB 3.44Å; K46-D50 PolarHBondContact O-N 3.29Å; A48-D50 PolarHBondContact O-N 2.7Å; D50-E54 WeakPolarHBondContact O-CG 3.27Å; D50-E54 PolarHBondContact O-N 3.31Å; D50-P120 VanDerWaalsContact OD2-CG 3.23Å; D50-P120 WeakPolarHBondContact OD2-CG 3.25Å |
| 51 | I | 93.3 | Very high | 95.7 | Very high | 68 Ų | 68 | 79.4 Ų | 79.4 | 35% | 0.349 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.2 | -47.9 | 173.4 | -71.6 | 164 | 0 | 0 | 0 | 111.9 | R6 H47 A48 E49 G53 E54 L55 | R6-I51 VanDerWaalsContact NH1-CG1 3.27Å; H47-I51 WeakPolarHBondContact O-CD1 3.42Å; H47-I51 WeakPolarHBondContact O-CG1 3.37Å; H47-I51 PolarHBondContact O-N 3.36Å; H47-I51 VanDerWaalsContact O-N 3.14Å; A48-I51 PolarHBondContact O-N 3.06Å; E49-I51 PolarHBondContact O-N 3.46Å; I51-G53 VanDerWaalsContact C-N 3.29Å; I51-G53 PolarHBondContact O-N 3.06Å; I51-E54 PolarHBondContact O-N 2.98Å; I51-L55 HydrophobicContact CG2-CD1 4.05Å; I51-L55 WeakPolarHBondContact O-CG 3.42Å; I51-L55 PolarHBondContact O-N 3.02Å |
| 52 | F | 96.9 | Very high | 95.8 | Very high | 143 Ų | 143 | 81.2 Ų | 81.2 | 63% | 0.627 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -69.5 | -29.7 | 179.6 | -70.6 | -57.8 | 0 | 0 | 0 | 111.8 | A48 E49 L55 F56 | A48-F52 HydrophobicContact CB-CD2 4.44Å; A48-F52 HydrophobicContact CB-CE2 4.35Å; A48-F52 WeakPolarHBondContact O-CD2 3.38Å; A48-F52 PolarHBondContact O-N 3.46Å; E49-F52 PolarHBondContact O-N 2.72Å; F52-L55 HydrophobicContact CD1-CD1 4.42Å; F52-F56 WeakPolarHBondContact O-CB 3.4Å; F52-F56 PolarHBondContact O-N 2.88Å |
| 53 | G | 95.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 83.6 Ų | 83.6 | 28% | 0.278 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E49 I51 L55 F56 N57 | E49-G53 PolarHBondContact O-N 3.08Å; I51-G53 VanDerWaalsContact C-N 3.29Å; I51-G53 PolarHBondContact O-N 3.06Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 3.33Å; G53-F56 PolarHBondContact O-N 2.78Å; G53-N57 WeakPolarHBondContact O-CB 3.48Å; G53-N57 PolarHBondContact O-N 2.78Å; G53-N57 PolarHBondContact O-ND2 2.97Å |
| 54 | E | 93.8 | Very high | 96.1 | Very high | 73 Ų | 73 | 87.1 Ų | 87.1 | 34% | 0.341 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -54.6 | -49.5 | 171.9 | -78.9 | 175.7 | 159.7 | 0 | 0 | 110.8 | R6 D50 I51 E58 | R6-E54 IonicContact CZ-OE1 2.84Å; R6-E54 IonicContact CZ-OE2 3.57Å; R6-E54 IonicContact NH1-OE1 2.71Å; R6-E54 IonicContact NH1-OE2 2.75Å; R6-E54 PolarHBondContact NH1-OE2 3.05Å; R6-E54 IonicContact NH2-OE1 2.69Å; R6-E54 PolarHBondContact NH2-OE1 3.24Å; R6-E54 IonicContact NH2-OE2 2.63Å; R6-E54 PolarHBondContact NH2-OE2 2.63Å; D50-E54 WeakPolarHBondContact O-CG 3.27Å; D50-E54 PolarHBondContact O-N 3.31Å; I51-E54 PolarHBondContact O-N 2.98Å; E54-E58 PolarHBondContact O-N 3.17Å |
| 55 | L | 96.8 | Very high | 96.3 | Very high | 107 Ų | 107 | 91.4 Ų | 91.4 | 56% | 0.56 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -67.3 | -42.3 | -179.3 | -68.8 | 170.7 | 0 | 0 | 0 | 113.3 | I51 F52 G53 E58 A59 | I51-L55 HydrophobicContact CG2-CD1 4.05Å; I51-L55 WeakPolarHBondContact O-CG 3.42Å; I51-L55 PolarHBondContact O-N 3.02Å; F52-L55 HydrophobicContact CD1-CD1 4.42Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 3.33Å; L55-E58 PolarHBondContact O-N 3.18Å; L55-A59 VanDerWaalsContact O-CB 3.29Å; L55-A59 WeakPolarHBondContact O-CB 3.37Å; L55-A59 PolarHBondContact O-N 2.85Å |
| 56 | F | 98.1 | Very high | 96.4 | Very high | 136 Ų | 136 | 89.4 Ų | 89.4 | 60% | 0.596 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.4 | -43.6 | 178.1 | 172.2 | -96.2 | 0 | 0 | 0 | 111.5 | F52 G53 A59 N60 | F52-F56 WeakPolarHBondContact O-CB 3.4Å; F52-F56 PolarHBondContact O-N 2.88Å; G53-F56 PolarHBondContact O-N 2.78Å; F56-A59 PolarHBondContact O-N 2.7Å; F56-N60 VanDerWaalsContact O-CB 3.23Å; F56-N60 WeakPolarHBondContact O-CB 3.43Å; F56-N60 PolarHBondContact O-N 3.49Å |
| 57 | N | 96.9 | Very high | 96.6 | Very high | 89 Ų | 89 | 88.3 Ų | 88.3 | 48% | 0.476 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 179.8 | -78.7 | -62.2 | 0 | 0 | 0 | 111.9 | G53 N61 | G53-N57 WeakPolarHBondContact O-CB 3.48Å; G53-N57 PolarHBondContact O-N 2.78Å; G53-N57 PolarHBondContact O-ND2 2.97Å; N57-N61 PolarHBondContact O-N 3.13Å; N57-N61 PolarHBondContact O-ND2 3.1Å |
| 58 | E | 97.3 | Very high | 96.9 | Very high | 123 Ų | 123 | 90.5 Ų | 90.5 | 58% | 0.575 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.7 | -44.2 | 176.2 | -171.1 | 58.6 | -152.4 | 0 | 0 | 111.5 | E54 L55 N60 N61 F62 | E54-E58 PolarHBondContact O-N 3.17Å; L55-E58 PolarHBondContact O-N 3.18Å; E58-N60 VanDerWaalsContact C-N 3.33Å; E58-N60 PolarHBondContact O-N 3.08Å; E58-N61 PolarHBondContact O-N 3.14Å; E58-F62 PolarHBondContact O-N 2.72Å |
| 59 | A | 98.4 | Very high | 97.1 | Very high | 58 Ų | 58 | 93.3 Ų | 93.3 | 48% | 0.479 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L55 F56 F62 Y63 | L55-A59 VanDerWaalsContact O-CB 3.29Å; L55-A59 WeakPolarHBondContact O-CB 3.37Å; L55-A59 PolarHBondContact O-N 2.85Å; F56-A59 PolarHBondContact O-N 2.7Å; A59-F62 PolarHBondContact O-N 2.94Å; A59-Y63 WeakPolarHBondContact O-CB 3.45Å; A59-Y63 PolarHBondContact O-N 2.87Å |
| 60 | N | 98.4 | Very high | 97.3 | Very high | 58 Ų | 58 | 91 Ų | 91 | 31% | 0.31 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69 | -40.9 | 175.6 | -176.4 | 53.5 | 0 | 0 | 0 | 112 | F56 E58 F62 Y63 L64 | F56-N60 VanDerWaalsContact O-CB 3.23Å; F56-N60 WeakPolarHBondContact O-CB 3.43Å; F56-N60 PolarHBondContact O-N 3.49Å; E58-N60 VanDerWaalsContact C-N 3.33Å; E58-N60 PolarHBondContact O-N 3.08Å; N60-F62 VanDerWaalsContact C-N 3.33Å; N60-F62 PolarHBondContact O-N 3.47Å; N60-Y63 PolarHBondContact O-N 2.89Å; N60-L64 WeakPolarHBondContact O-CG 3.35Å; N60-L64 PolarHBondContact O-N 2.89Å |
| 61 | N | 98.4 | Very high | 97.6 | Very high | 85 Ų | 85 | 93.1 Ų | 93.1 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 172.7 | -83.5 | -74.1 | 0 | 0 | 0 | 111.9 | N57 E58 R65 | N57-N61 PolarHBondContact O-N 3.13Å; N57-N61 PolarHBondContact O-ND2 3.1Å; E58-N61 PolarHBondContact O-N 3.14Å; N61-R65 WeakPolarHBondContact O-CB 3.35Å; N61-R65 WeakPolarHBondContact O-CD 3.44Å; N61-R65 VanDerWaalsContact O-CG 3.24Å; N61-R65 WeakPolarHBondContact O-CG 3.43Å; N61-R65 PolarHBondContact O-N 3.34Å |
| 62 | F | 98.4 | Very high | 97.8 | Very high | 138 Ų | 138 | 97.7 Ų | 97.7 | 61% | 0.605 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.8 | -47 | 171.6 | 175.6 | -97 | 0 | 0 | 0 | 111.9 | E58 A59 N60 L64 R65 A66 | E58-F62 PolarHBondContact O-N 2.72Å; A59-F62 PolarHBondContact O-N 2.94Å; N60-F62 VanDerWaalsContact C-N 3.33Å; N60-F62 PolarHBondContact O-N 3.47Å; F62-L64 PolarHBondContact O-N 3.12Å; F62-R65 PolarHBondContact O-N 2.78Å; F62-A66 HydrophobicContact CE1-CB 4.39Å; F62-A66 WeakPolarHBondContact O-CB 3.4Å; F62-A66 PolarHBondContact O-N 3.33Å |
| 63 | Y | 98.4 | Very high | 97.9 | Very high | 132 Ų | 132 | 94.7 Ų | 94.7 | 52% | 0.518 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 178.8 | 171.9 | -109.4 | 0 | 0 | 0 | 112.6 | A59 N60 R65 A66 N67 | A59-Y63 WeakPolarHBondContact O-CB 3.45Å; A59-Y63 PolarHBondContact O-N 2.87Å; N60-Y63 PolarHBondContact O-N 2.89Å; Y63-R65 VanDerWaalsContact C-N 3.32Å; Y63-R65 PolarHBondContact O-N 3.43Å; Y63-A66 PolarHBondContact O-N 3.16Å; Y63-N67 WeakPolarHBondContact CE1-ND2 3.24Å; Y63-N67 WeakPolarHBondContact CE2-OD1 3.38Å; Y63-N67 PolarHBondContact O-N 3.09Å; Y63-N67 PolarHBondContact OH-ND2 2.88Å |
| 64 | L | 98.5 | Very high | 98 | Very high | 96 Ų | 96 | 97.1 Ų | 97.1 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | 176.6 | -68.5 | 171.5 | 0 | 0 | 0 | 112.2 | N60 F62 S68 | N60-L64 WeakPolarHBondContact O-CG 3.35Å; N60-L64 PolarHBondContact O-N 2.89Å; F62-L64 PolarHBondContact O-N 3.12Å; L64-S68 WeakPolarHBondContact O-CB 3.4Å; L64-S68 PolarHBondContact O-N 3.44Å; L64-S68 VanDerWaalsContact O-N 3.08Å |
| 65 | R | 98.4 | Very high | 98.2 | Very high | 174 Ų | 174 | 100 Ų | 100 | 66% | 0.657 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.1 | -39.1 | 174.8 | -71.9 | 168.2 | 62 | -166.2 | -0.8 | 112.3 | N61 F62 Y63 L69 | N61-R65 WeakPolarHBondContact O-CB 3.35Å; N61-R65 WeakPolarHBondContact O-CD 3.44Å; N61-R65 VanDerWaalsContact O-CG 3.24Å; N61-R65 WeakPolarHBondContact O-CG 3.43Å; N61-R65 PolarHBondContact O-N 3.34Å; F62-R65 PolarHBondContact O-N 2.78Å; Y63-R65 VanDerWaalsContact C-N 3.32Å; Y63-R65 PolarHBondContact O-N 3.43Å; R65-L69 WeakPolarHBondContact O-CB 3.49Å; R65-L69 PolarHBondContact O-N 2.99Å |
| 66 | A | 98.7 | Very high | 98.3 | Very high | 36 Ų | 36 | 99.8 Ų | 99.8 | 30% | 0.298 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.8 | -47.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F62 Y63 L69 Q70 | F62-A66 HydrophobicContact CE1-CB 4.39Å; F62-A66 WeakPolarHBondContact O-CB 3.4Å; F62-A66 PolarHBondContact O-N 3.33Å; Y63-A66 PolarHBondContact O-N 3.16Å; A66-L69 PolarHBondContact O-N 2.72Å; A66-Q70 PolarHBondContact O-N 2.99Å |
| 67 | N | 98.5 | Very high | 98.3 | Very high | 71 Ų | 71 | 95.7 Ų | 95.7 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.3 | -53.4 | 173.2 | -73.4 | -3 | 0 | 0 | 0 | 110.7 | Y63 L69 Q70 D71 | Y63-N67 WeakPolarHBondContact CE1-ND2 3.24Å; Y63-N67 WeakPolarHBondContact CE2-OD1 3.38Å; Y63-N67 PolarHBondContact O-N 3.09Å; Y63-N67 PolarHBondContact OH-ND2 2.88Å; N67-L69 PolarHBondContact O-N 2.79Å; N67-Q70 PolarHBondContact O-N 3.4Å; N67-Q70 VanDerWaalsContact O-N 3.09Å; N67-D71 WeakPolarHBondContact O-CB 3.46Å; N67-D71 PolarHBondContact O-N 3.21Å |
| 68 | S | 98.6 | Very high | 98.3 | Very high | 70 Ų | 70 | 95.1 Ų | 95.1 | 49% | 0.49 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.7 | -28 | 179.2 | -173.1 | 0 | 0 | 0 | 0 | 113.6 | L64 R72 | L64-S68 WeakPolarHBondContact O-CB 3.4Å; L64-S68 PolarHBondContact O-N 3.44Å; L64-S68 VanDerWaalsContact O-N 3.08Å; S68-R72 WeakPolarHBondContact O-CD 3.48Å; S68-R72 VanDerWaalsContact O-CG 3.25Å; S68-R72 WeakPolarHBondContact O-CG 3.35Å; S68-R72 PolarHBondContact O-N 2.9Å |
| 69 | L | 98.6 | Very high | 98.2 | Very high | 92 Ų | 92 | 96 Ų | 96 | 48% | 0.482 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -76.8 | -44.4 | 173.2 | -178.8 | 59.7 | 0 | 0 | 0 | 112.1 | R65 A66 N67 D71 R72 I73 | R65-L69 WeakPolarHBondContact O-CB 3.49Å; R65-L69 PolarHBondContact O-N 2.99Å; A66-L69 PolarHBondContact O-N 2.72Å; N67-L69 PolarHBondContact O-N 2.79Å; L69-D71 VanDerWaalsContact C-N 3.34Å; L69-D71 PolarHBondContact O-N 2.95Å; L69-R72 CarbonylContact O-C 3.59Å; L69-R72 WeakPolarHBondContact O-CA 3.47Å; L69-R72 WeakPolarHBondContact O-CB 3.25Å; L69-R72 PolarHBondContact O-N 3.48Å; L69-R72 VanDerWaalsContact O-N 3.08Å; L69-I73 HydrophobicContact CD1-CD1 4.36Å; L69-I73 HydrophobicContact CD1-CG1 4.46Å; L69-I73 HydrophobicContact CG-CD1 3.96Å; L69-I73 WeakPolarHBondContact O-CG1 3.45Å; L69-I73 PolarHBondContact O-N 3.19Å |
| 70 | Q | 98.4 | Very high | 98.1 | Very high | 98 Ų | 98 | 97.3 Ų | 97.3 | 46% | 0.458 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.8 | -48.8 | 175.9 | -173.1 | 61.1 | 50.6 | 0 | 0 | 110.8 | A66 N67 R72 I73 D74 | A66-Q70 PolarHBondContact O-N 2.99Å; N67-Q70 PolarHBondContact O-N 3.4Å; N67-Q70 VanDerWaalsContact O-N 3.09Å; Q70-R72 PolarHBondContact O-N 2.81Å; Q70-I73 CarbonylContact O-C 3.59Å; Q70-I73 WeakPolarHBondContact O-CA 3.27Å; Q70-I73 WeakPolarHBondContact O-CB 3.31Å; Q70-I73 PolarHBondContact O-N 2.92Å; Q70-D74 PolarHBondContact NE2-OD1 3.39Å; Q70-D74 VanDerWaalsContact O-CG 3.31Å; Q70-D74 PolarHBondContact O-N 3.2Å |
| 71 | D | 98.4 | Very high | 97.9 | Very high | 81 Ų | 81 | 100.1 Ų | 100.1 | 43% | 0.433 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -50.2 | -35.4 | 174.3 | -137.5 | 51.5 | 0 | 0 | 0 | 112.7 | N67 L69 R75 | N67-D71 WeakPolarHBondContact O-CB 3.46Å; N67-D71 PolarHBondContact O-N 3.21Å; L69-D71 VanDerWaalsContact C-N 3.34Å; L69-D71 PolarHBondContact O-N 2.95Å; D71-R75 WeakPolarHBondContact O-CG 3.2Å; D71-R75 PolarHBondContact O-NE 3.48Å; D71-R75 VanDerWaalsContact O-NE 3.15Å; D71-R75 PolarHBondContact O-NH1 3.48Å; D71-R75 PolarHBondContact O-NH2 2.7Å; D71-R75 IonicContact OD1-NH1 3.65Å; D71-R75 IonicContact OD2-CZ 3.16Å; D71-R75 IonicContact OD2-NH1 2.7Å; D71-R75 PolarHBondContact OD2-NH1 2.74Å; D71-R75 IonicContact OD2-NH2 2.72Å; D71-R75 PolarHBondContact OD2-NH2 3.1Å |
| 72 | R | 98.4 | Very high | 97.7 | Very high | 164 Ų | 164 | 103 Ų | 103 | 62% | 0.619 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -84.1 | -32.3 | 176.6 | -71.5 | 169.7 | 61 | -166.7 | -2.6 | 113.2 | S68 L69 Q70 L76 | S68-R72 WeakPolarHBondContact O-CD 3.48Å; S68-R72 VanDerWaalsContact O-CG 3.25Å; S68-R72 WeakPolarHBondContact O-CG 3.35Å; S68-R72 PolarHBondContact O-N 2.9Å; L69-R72 CarbonylContact O-C 3.59Å; L69-R72 WeakPolarHBondContact O-CA 3.47Å; L69-R72 WeakPolarHBondContact O-CB 3.25Å; L69-R72 PolarHBondContact O-N 3.48Å; L69-R72 VanDerWaalsContact O-N 3.08Å; Q70-R72 PolarHBondContact O-N 2.81Å; R72-L76 WeakPolarHBondContact O-CB 3.23Å; R72-L76 PolarHBondContact O-N 3.45Å |
| 73 | I | 98.6 | Very high | 97.4 | Very high | 80 Ų | 80 | 101.5 Ų | 101.5 | 41% | 0.41 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 174 | -71.7 | 165.9 | 0 | 0 | 0 | 109.5 | L69 Q70 R75 L76 A77 | L69-I73 HydrophobicContact CD1-CD1 4.36Å; L69-I73 HydrophobicContact CD1-CG1 4.46Å; L69-I73 HydrophobicContact CG-CD1 3.96Å; L69-I73 WeakPolarHBondContact O-CG1 3.45Å; L69-I73 PolarHBondContact O-N 3.19Å; Q70-I73 CarbonylContact O-C 3.59Å; Q70-I73 WeakPolarHBondContact O-CA 3.27Å; Q70-I73 WeakPolarHBondContact O-CB 3.31Å; Q70-I73 PolarHBondContact O-N 2.92Å; I73-R75 PolarHBondContact O-N 2.63Å; I73-L76 CarbonylContact O-C 3.52Å; I73-L76 WeakPolarHBondContact O-CB 3.49Å; I73-L76 PolarHBondContact O-N 3.2Å; I73-A77 WeakPolarHBondContact O-CB 3.37Å; I73-A77 PolarHBondContact O-N 3.19Å |
| 74 | D | 98.4 | Very high | 96.9 | Very high | 79 Ų | 79 | 99.2 Ų | 99.2 | 42% | 0.422 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | -178.5 | -58.9 | -28 | 0 | 0 | 0 | 111.2 | Q70 L76 A77 V78 | Q70-D74 PolarHBondContact NE2-OD1 3.39Å; Q70-D74 VanDerWaalsContact O-CG 3.31Å; Q70-D74 PolarHBondContact O-N 3.2Å; D74-L76 VanDerWaalsContact C-N 3.27Å; D74-L76 PolarHBondContact O-N 3.4Å; D74-A77 PolarHBondContact O-N 2.9Å; D74-V78 WeakPolarHBondContact O-CG2 3.09Å; D74-V78 PolarHBondContact O-N 2.91Å |
| 75 | R | 97.9 | Very high | 96.1 | Very high | 132 Ų | 132 | 99.9 Ų | 99.9 | 50% | 0.498 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -23.8 | 174 | -71.6 | -172.2 | -69.6 | -93.7 | 4.6 | 113.9 | D71 I73 K79 | D71-R75 WeakPolarHBondContact O-CG 3.2Å; D71-R75 PolarHBondContact O-NE 3.48Å; D71-R75 VanDerWaalsContact O-NE 3.15Å; D71-R75 PolarHBondContact O-NH1 3.48Å; D71-R75 PolarHBondContact O-NH2 2.7Å; D71-R75 IonicContact OD1-NH1 3.65Å; D71-R75 IonicContact OD2-CZ 3.16Å; D71-R75 IonicContact OD2-NH1 2.7Å; D71-R75 PolarHBondContact OD2-NH1 2.74Å; D71-R75 IonicContact OD2-NH2 2.72Å; D71-R75 PolarHBondContact OD2-NH2 3.1Å; I73-R75 PolarHBondContact O-N 2.63Å; R75-K79 WeakPolarHBondContact O-CG 3.36Å |
| 76 | L | 98.1 | Very high | 95.4 | Very high | 104 Ų | 104 | 97.5 Ų | 97.5 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -81.4 | -40.2 | 173.9 | 179.7 | 61.2 | 0 | 0 | 0 | 111.2 | R72 I73 D74 V78 K79 V80 | R72-L76 WeakPolarHBondContact O-CB 3.23Å; R72-L76 PolarHBondContact O-N 3.45Å; I73-L76 CarbonylContact O-C 3.52Å; I73-L76 WeakPolarHBondContact O-CB 3.49Å; I73-L76 PolarHBondContact O-N 3.2Å; D74-L76 VanDerWaalsContact C-N 3.27Å; D74-L76 PolarHBondContact O-N 3.4Å; L76-V78 PolarHBondContact O-N 3.29Å; L76-K79 PolarHBondContact O-N 3.26Å; L76-K79 VanDerWaalsContact O-N 3.11Å; L76-V80 HydrophobicContact CD1-CG2 4.08Å; L76-V80 HydrophobicContact CG-CG2 4.26Å; L76-V80 WeakPolarHBondContact O-CG2 3.44Å; L76-V80 PolarHBondContact O-N 3.3Å |
| 77 | A | 97.9 | Very high | 94.6 | Very high | 50 Ų | 50 | 100.9 Ų | 100.9 | 41% | 0.413 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I73 D74 K79 V80 T81 | I73-A77 WeakPolarHBondContact O-CB 3.37Å; I73-A77 PolarHBondContact O-N 3.19Å; D74-A77 PolarHBondContact O-N 2.9Å; A77-K79 VanDerWaalsContact C-N 3.28Å; A77-K79 PolarHBondContact O-N 2.95Å; A77-V80 PolarHBondContact O-N 3.03Å; A77-T81 PolarHBondContact O-N 2.82Å; A77-T81 PolarHBondContact O-OG1 3.3Å |
| 78 | V | 97.2 | Very high | 93.7 | Very high | 76 Ų | 76 | 103.6 Ų | 103.6 | 46% | 0.461 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -58.8 | -37.9 | 174.6 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | D74 L76 T81 Q82 | D74-V78 WeakPolarHBondContact O-CG2 3.09Å; D74-V78 PolarHBondContact O-N 2.91Å; L76-V78 PolarHBondContact O-N 3.29Å; V78-T81 PolarHBondContact O-OG1 3.06Å; V78-Q82 WeakPolarHBondContact O-CB 3.35Å; V78-Q82 WeakPolarHBondContact O-CG 3.47Å; V78-Q82 PolarHBondContact O-N 3.21Å |
| 79 | K | 95.9 | Very high | 92.9 | Very high | 141 Ų | 141 | 109 Ų | 109 | 61% | 0.613 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.4 | -44.4 | 176.4 | -74.4 | -178.3 | 176.8 | -165.5 | 0 | 111.9 | R75 L76 A77 T81 Q82 L83 | R75-K79 WeakPolarHBondContact O-CG 3.36Å; L76-K79 PolarHBondContact O-N 3.26Å; L76-K79 VanDerWaalsContact O-N 3.11Å; A77-K79 VanDerWaalsContact C-N 3.28Å; A77-K79 PolarHBondContact O-N 2.95Å; K79-T81 VanDerWaalsContact C-N 3.32Å; K79-T81 PolarHBondContact O-N 3.18Å; K79-Q82 CarbonylContact O-C 3.44Å; K79-Q82 PolarHBondContact O-N 3.02Å; K79-L83 PolarHBondContact O-N 3.4Å |
| 80 | V | 96.1 | Very high | 92 | Very high | 86 Ų | 86 | 110.8 Ų | 110.8 | 52% | 0.521 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.3 | -35.9 | 179.9 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | L76 A77 Q82 L83 | L76-V80 HydrophobicContact CD1-CG2 4.08Å; L76-V80 HydrophobicContact CG-CG2 4.26Å; L76-V80 WeakPolarHBondContact O-CG2 3.44Å; L76-V80 PolarHBondContact O-N 3.3Å; A77-V80 PolarHBondContact O-N 3.03Å; V80-Q82 PolarHBondContact O-N 2.8Å; V80-L83 PolarHBondContact O-N 3.26Å |
| 81 | T | 94.8 | Very high | 91.2 | Very high | 118 Ų | 118 | 108.2 Ų | 108.2 | 72% | 0.724 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -7.4 | 173.7 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | A77 V78 K79 | A77-T81 PolarHBondContact O-N 2.82Å; A77-T81 PolarHBondContact O-OG1 3.3Å; V78-T81 PolarHBondContact O-OG1 3.06Å; K79-T81 VanDerWaalsContact C-N 3.32Å; K79-T81 PolarHBondContact O-N 3.18Å |
| 82 | Q | 93.2 | Very high | 90.2 | Very high | 145 Ų | 145 | 110.9 Ų | 110.9 | 68% | 0.678 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 0.3 | 175.2 | -72.7 | 173.7 | -3.9 | 0 | 0 | 113.4 | V78 K79 V80 D84 | V78-Q82 WeakPolarHBondContact O-CB 3.35Å; V78-Q82 WeakPolarHBondContact O-CG 3.47Å; V78-Q82 PolarHBondContact O-N 3.21Å; K79-Q82 CarbonylContact O-C 3.44Å; K79-Q82 PolarHBondContact O-N 3.02Å; V80-Q82 PolarHBondContact O-N 2.8Å; Q82-D84 PolarHBondContact O-N 2.84Å |
| 83 | L | 91.3 | Very high | 89.4 | Confident | 106 Ų | 106 | 110 Ų | 110 | 56% | 0.555 | 59% | 0.591 | S | S | * | * | trans | -76.2 | 121.7 | 175.1 | -70.3 | 174.5 | 0 | 0 | 0 | 110.7 | K79 V80 | K79-L83 PolarHBondContact O-N 3.4Å; V80-L83 PolarHBondContact O-N 3.26Å | ||
| 84 | D | 89.9 | Confident | 88.6 | Confident | 84 Ų | 84 | 108.6 Ų | 108.6 | 45% | 0.449 | 59% | 0.585 | S | S | . | * | trans | -104.3 | 101.6 | 169.7 | -171.6 | -19 | 0 | 0 | 0 | 110 | Q82 T86 V87 E88 | Q82-D84 PolarHBondContact O-N 2.84Å; D84-T86 PolarHBondContact O-N 2.86Å; D84-T86 WeakPolarHBondContact OD1-CA 3.36Å; D84-T86 WeakPolarHBondContact OD1-CB 3.22Å; D84-T86 PolarHBondContact OD1-N 3.42Å; D84-T86 PolarHBondContact OD1-OG1 2.89Å; D84-T86 PolarHBondContact OD2-OG1 3.47Å; D84-V87 HydrophobicContact CB-CB 4.42Å; D84-V87 HydrophobicContact CB-CG2 4.38Å; D84-V87 PolarHBondContact O-N 3.25Å; D84-V87 VanDerWaalsContact O-N 3.07Å; D84-E88 PolarHBondContact O-N 3Å | ||
| 85 | S | 81.5 | Confident | 87.6 | Confident | 110 Ų | 110 | 111.1 Ų | 111.1 | 77% | 0.769 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -2.3 | 179.3 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 86 | T | 82.7 | Confident | 86.9 | Confident | 125 Ų | 125 | 111.6 Ų | 111.6 | 77% | 0.767 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -13.4 | 169.2 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | D84 | D84-T86 PolarHBondContact O-N 2.86Å; D84-T86 WeakPolarHBondContact OD1-CA 3.36Å; D84-T86 WeakPolarHBondContact OD1-CB 3.22Å; D84-T86 PolarHBondContact OD1-N 3.42Å; D84-T86 PolarHBondContact OD1-OG1 2.89Å; D84-T86 PolarHBondContact OD2-OG1 3.47Å |
| 87 | V | 82.1 | Confident | 86.5 | Confident | 107 Ų | 107 | 114 Ų | 114 | 65% | 0.648 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | -22.4 | -178.5 | -176.7 | 0 | 0 | 0 | 0 | 112.5 | D84 E89 | D84-V87 HydrophobicContact CB-CB 4.42Å; D84-V87 HydrophobicContact CB-CG2 4.38Å; D84-V87 PolarHBondContact O-N 3.25Å; D84-V87 VanDerWaalsContact O-N 3.07Å; V87-E89 PolarHBondContact O-N 3.32Å |
| 88 | E | 79.7 | Confident | 85.9 | Confident | 128 Ų | 128 | 119.7 Ų | 119.7 | 60% | 0.598 | 63% | 0.63 | S | S | * | * | trans | -75.2 | 90.7 | -179.8 | -168.5 | 172.2 | -166.2 | 0 | 0 | 113 | D84 | D84-E88 PolarHBondContact O-N 3Š| ||
| 89 | E | 82.7 | Confident | 85.7 | Confident | 182 Ų | 182 | 125.9 Ų | 125.9 | 85% | 0.85 | 65% | 0.651 | S | S | * | * | trans | -70.4 | 130.5 | 175.1 | -67.1 | -170.4 | 173.2 | 0 | 0 | 113.3 | V87 S91 | V87-E89 PolarHBondContact O-N 3.32Å; E89-S91 PolarHBondContact O-N 3.17Å; E89-S91 VanDerWaalsContact O-N 3.16Å | ||
| 90 | V | 78.6 | Confident | 85.5 | Confident | 131 Ų | 131 | 123.2 Ų | 123.2 | 79% | 0.794 | 66% | 0.656 | S | S | * | * | trans | -80.2 | 97.1 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 111 | L92 | V90-L92 PolarHBondContact O-N 3.21Š| ||
| 91 | S | 81.3 | Confident | 85.4 | Confident | 43 Ų | 43 | 128.1 Ų | 128.1 | 30% | 0.301 | 67% | 0.67 | S | S | . | * | trans | -72.4 | 117.4 | -179.4 | 179.3 | 0 | 0 | 0 | 0 | 113.2 | E89 Q93 D94 | E89-S91 PolarHBondContact O-N 3.17Å; E89-S91 VanDerWaalsContact O-N 3.16Å; S91-Q93 PolarHBondContact O-N 3.1Å; S91-Q93 WeakPolarHBondContact OG-CB 3.23Å; S91-Q93 PolarHBondContact OG-N 3.3Å; S91-D94 WeakPolarHBondContact O-CB 3.45Å; S91-D94 PolarHBondContact O-N 2.72Å; S91-D94 VanDerWaalsContact O-N 3.08Å | ||
| 92 | L | 78.4 | Confident | 85.4 | Confident | 138 Ų | 138 | 131.3 Ų | 131.3 | 72% | 0.723 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -63.8 | -19.9 | 171.7 | -63.5 | 179 | 0 | 0 | 0 | 113.2 | V90 D94 I95 | V90-L92 PolarHBondContact O-N 3.21Å; L92-D94 PolarHBondContact O-N 2.7Å; L92-I95 HydrophobicContact CD2-CD1 3.84Å; L92-I95 PolarHBondContact O-N 3.29Å |
| 93 | Q | 80.9 | Confident | 85.6 | Confident | 145 Ų | 145 | 128.3 Ų | 128.3 | 68% | 0.678 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -63.8 | -31.9 | 174 | -58.4 | -176.6 | -0.7 | 0 | 0 | 110.9 | S91 I95 N96 M97 | S91-Q93 PolarHBondContact O-N 3.1Å; S91-Q93 WeakPolarHBondContact OG-CB 3.23Å; S91-Q93 PolarHBondContact OG-N 3.3Å; Q93-I95 VanDerWaalsContact C-N 3.3Å; Q93-I95 PolarHBondContact O-N 3Å; Q93-N96 PolarHBondContact O-N 3.03Å; Q93-M97 VanDerWaalsContact O-CB 3.25Å; Q93-M97 WeakPolarHBondContact O-CB 3.3Å; Q93-M97 WeakPolarHBondContact O-CG 3.37Å; Q93-M97 PolarHBondContact O-N 3Å |
| 94 | D | 81.3 | Confident | 85.8 | Confident | 51 Ų | 51 | 127.7 Ų | 127.7 | 27% | 0.273 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -65.4 | -35.7 | -177.8 | -64.3 | -26.6 | 0 | 0 | 0 | 112.5 | S91 L92 N96 R98 | S91-D94 WeakPolarHBondContact O-CB 3.45Å; S91-D94 PolarHBondContact O-N 2.72Å; S91-D94 VanDerWaalsContact O-N 3.08Å; L92-D94 PolarHBondContact O-N 2.7Å; D94-N96 PolarHBondContact O-N 3.28Å; D94-R98 HydrophobicContact CB-CG 4.16Å; D94-R98 VanDerWaalsContact O-CB 3.27Å; D94-R98 WeakPolarHBondContact O-CB 3.45Å; D94-R98 PolarHBondContact O-N 2.81Å; D94-R98 IonicContact OD1-CZ 3.09Å; D94-R98 IonicContact OD1-NE 2.73Å; D94-R98 PolarHBondContact OD1-NE 2.93Å; D94-R98 IonicContact OD1-NH2 2.81Å; D94-R98 PolarHBondContact OD1-NH2 2.84Å; D94-R98 IonicContact OD2-CZ 3.17Å; D94-R98 IonicContact OD2-NE 3.52Å; D94-R98 IonicContact OD2-NH1 3.84Å; D94-R98 IonicContact OD2-NH2 2.78Å; D94-R98 PolarHBondContact OD2-NH2 3.44Å |
| 95 | I | 77.2 | Confident | 86.1 | Confident | 132 Ų | 132 | 129.6 Ų | 129.6 | 68% | 0.677 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -64.9 | -30.4 | -179.1 | -55.6 | 178 | 0 | 0 | 0 | 111.3 | L92 Q93 | L92-I95 HydrophobicContact CD2-CD1 3.84Å; L92-I95 PolarHBondContact O-N 3.29Å; Q93-I95 VanDerWaalsContact C-N 3.3Å; Q93-I95 PolarHBondContact O-N 3Å |
| 96 | N | 83.6 | Confident | 86.7 | Confident | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -102 | -32.5 | -177 | -158.5 | 23.7 | 0 | 0 | 0 | 113.1 | Q93 D94 | Q93-N96 PolarHBondContact O-N 3.03Å; D94-N96 PolarHBondContact O-N 3.28Å |
| 97 | M | 89.5 | Confident | 87.2 | Confident | 154 Ų | 154 | 129.1 Ų | 129.1 | 76% | 0.759 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -101.8 | -25.9 | -172.7 | -58.5 | -58.3 | -64.5 | 0 | 0 | 114.3 | Q93 | Q93-M97 VanDerWaalsContact O-CB 3.25Å; Q93-M97 WeakPolarHBondContact O-CB 3.3Å; Q93-M97 WeakPolarHBondContact O-CG 3.37Å; Q93-M97 PolarHBondContact O-N 3Å |
| 98 | R | 86.8 | Confident | 87.7 | Confident | 169 Ų | 169 | 131.3 Ų | 131.3 | 64% | 0.638 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -88.3 | 141.6 | 174.4 | -58.8 | -175.6 | -165.8 | -176.9 | 9.1 | 110.2 | D94 A100 | D94-R98 HydrophobicContact CB-CG 4.16Å; D94-R98 VanDerWaalsContact O-CB 3.27Å; D94-R98 WeakPolarHBondContact O-CB 3.45Å; D94-R98 PolarHBondContact O-N 2.81Å; D94-R98 IonicContact OD1-CZ 3.09Å; D94-R98 IonicContact OD1-NE 2.73Å; D94-R98 PolarHBondContact OD1-NE 2.93Å; D94-R98 IonicContact OD1-NH2 2.81Å; D94-R98 PolarHBondContact OD1-NH2 2.84Å; D94-R98 IonicContact OD2-CZ 3.17Å; D94-R98 IonicContact OD2-NE 3.52Å; D94-R98 IonicContact OD2-NH1 3.84Å; D94-R98 IonicContact OD2-NH2 2.78Å; D94-R98 PolarHBondContact OD2-NH2 3.44Å; R98-A100 PolarHBondContact O-N 2.79Å |
| 99 | K | 92.4 | Very high | 88.3 | Confident | 206 Ų | 206 | 131.8 Ų | 131.8 | 90% | 0.896 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 129.9 | 167.9 | -66.4 | 176.2 | -177.5 | 173.8 | 0 | 108.7 | ||
| 100 | A | 91.1 | Very high | 88.6 | Confident | 86 Ų | 86 | 130.8 Ų | 130.8 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 147 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | R98 | R98-A100 PolarHBondContact O-N 2.79Š|
| 101 | F | 94.3 | Very high | 89.2 | Confident | 189 Ų | 189 | 129.7 Ų | 129.7 | 83% | 0.829 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -56 | 142.7 | 176 | 171.5 | -99 | 0 | 0 | 0 | 111.5 | ||
| 102 | K | 96.1 | Very high | 89.5 | Confident | 184 Ų | 184 | 134.3 Ų | 134.3 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | trans | -130.3 | 129.4 | 172.4 | -62.8 | -171.3 | 179 | -172.5 | 0 | 109.5 | ||||
| 103 | S | 96 | Very high | 90.1 | Very high | 83 Ų | 83 | 129.5 Ų | 129.5 | 58% | 0.58 | 68% | 0.677 | S | S | * | * | trans | -69.7 | 165.3 | 165.6 | 47.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 104 | S | 95.8 | Very high | 90.5 | Very high | 93 Ų | 93 | 131.9 Ų | 131.9 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | trans | -66.3 | 136 | 169.3 | -168.9 | 0 | 0 | 0 | 0 | 110.5 | T106 | S104-T106 WeakPolarHBondContact OG-CG2 3.17Å; S104-T106 PolarHBondContact OG-N 2.92Å; S104-T106 PolarHBondContact OG-OG1 3.27Å | ||
| 105 | T | 95.5 | Very high | 90.9 | Very high | 123 Ų | 123 | 134.8 Ų | 134.8 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | -119.4 | 25.3 | 172.5 | 64.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 106 | T | 94.4 | Very high | 91.6 | Very high | 118 Ų | 118 | 131.2 Ų | 131.2 | 72% | 0.724 | 70% | 0.696 | S | S | * | * | trans | -59.1 | 134.5 | 172.4 | 45.4 | 0 | 0 | 0 | 0 | 110.8 | S104 | S104-T106 WeakPolarHBondContact OG-CG2 3.17Å; S104-T106 PolarHBondContact OG-N 2.92Å; S104-T106 PolarHBondContact OG-OG1 3.27Å | ||
| 107 | Q | 93.8 | Very high | 91.9 | Very high | 107 Ų | 107 | 127 Ų | 127 | 50% | 0.5 | 68% | 0.675 | S | S | . | * | trans | -133.5 | 129.6 | 178.5 | -71.5 | 178.2 | -20.9 | 0 | 0 | 109.3 | N464 | Q107-N464 VanDerWaalsContact CD-ND2 3.34Å; Q107-N464 PolarHBondContact NE2-ND2 3.43Å; Q107-N464 VanDerWaalsContact NE2-ND2 3.18Å; Q107-N464 PolarHBondContact OE1-ND2 3.1Å | ||
| 108 | D | 92.4 | Very high | 91.8 | Very high | 153 Ų | 153 | 121.6 Ų | 121.6 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | trans | -75.3 | 128 | -179.8 | -58.6 | -33.6 | 0 | 0 | 0 | 110.3 | V111 | D108-V111 HydrophobicContact CB-CG1 4.38Š| ||
| 109 | Q | 92.1 | Very high | 91.9 | Very high | 138 Ų | 138 | 117.9 Ų | 117.9 | 65% | 0.645 | 64% | 0.644 | S | S | * | * | trans | -135.7 | 162.4 | -177.4 | -60.8 | -175 | 16.4 | 0 | 0 | 109.5 | V111 | Q109-V111 PolarHBondContact O-N 3.47Š| ||
| 110 | Q | 89.9 | Confident | 91.7 | Very high | 162 Ų | 162 | 108.3 Ų | 108.3 | 76% | 0.757 | 60% | 0.603 | S | S | * | * | trans | 54.5 | 36.3 | -176.7 | -53.7 | -173.4 | 2.5 | 0 | 0 | 113.6 | V112 S113 | Q110-V112 CarbonylContact O-C 3.56Å; Q110-V112 PolarHBondContact O-N 2.89Å; Q110-S113 VanDerWaalsContact O-CB 3.3Å; Q110-S113 WeakPolarHBondContact O-CB 3.29Å; Q110-S113 PolarHBondContact O-OG 3.32Å; Q110-S113 VanDerWaalsContact O-OG 3.05Å | ||
| 111 | V | 89.4 | Confident | 91.5 | Very high | 107 Ų | 107 | 105.9 Ų | 105.9 | 65% | 0.648 | 58% | 0.579 | S | S | * | * | trans | -58.5 | -19.5 | -176.7 | -60.2 | 0 | 0 | 0 | 0 | 114.3 | D108 Q109 S116 | D108-V111 HydrophobicContact CB-CG1 4.38Å; Q109-V111 PolarHBondContact O-N 3.47Å; V111-S116 WeakPolarHBondContact O-CB 3.29Å; V111-S116 PolarHBondContact O-OG 3.25Å | ||
| 112 | V | 89.3 | Confident | 91.3 | Very high | 140 Ų | 140 | 102.2 Ų | 102.2 | 85% | 0.848 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -107.1 | 96.9 | 165.5 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | Q110 | Q110-V112 CarbonylContact O-C 3.56Å; Q110-V112 PolarHBondContact O-N 2.89Å |
| 113 | S | 90.4 | Very high | 90.9 | Very high | 38 Ų | 38 | 97.6 Ų | 97.6 | 27% | 0.266 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -142.7 | 166.6 | -179.5 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | Q110 S115 S116 V117 | Q110-S113 VanDerWaalsContact O-CB 3.3Å; Q110-S113 WeakPolarHBondContact O-CB 3.29Å; Q110-S113 PolarHBondContact O-OG 3.32Å; Q110-S113 VanDerWaalsContact O-OG 3.05Å; S113-S115 PolarHBondContact O-N 3.07Å; S113-S115 PolarHBondContact OG-OG 3.05Å; S113-S116 PolarHBondContact N-OG 3.19Å; S113-S116 PolarHBondContact O-N 3.02Å; S113-S116 PolarHBondContact O-OG 3.11Å; S113-V117 PolarHBondContact O-N 2.99Å |
| 114 | K | 89.6 | Confident | 90.6 | Very high | 195 Ų | 195 | 97.8 Ų | 97.8 | 85% | 0.848 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22 | -176.3 | -68.9 | -175.5 | 178.8 | 179.6 | 0 | 113.7 | ||
| 115 | S | 90.1 | Very high | 90.3 | Very high | 112 Ų | 112 | 101 Ų | 101 | 78% | 0.783 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -22.4 | 175.5 | 40.4 | 0 | 0 | 0 | 0 | 114.1 | S113 | S113-S115 PolarHBondContact O-N 3.07Å; S113-S115 PolarHBondContact OG-OG 3.05Å |
| 116 | S | 90.8 | Very high | 90.2 | Very high | 56 Ų | 56 | 99.8 Ų | 99.8 | 39% | 0.392 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -94.9 | 5.9 | 177.1 | 67.2 | 0 | 0 | 0 | 0 | 114.3 | V111 S113 P118 | V111-S116 WeakPolarHBondContact O-CB 3.29Å; V111-S116 PolarHBondContact O-OG 3.25Å; S113-S116 PolarHBondContact N-OG 3.19Å; S113-S116 PolarHBondContact O-N 3.02Å; S113-S116 PolarHBondContact O-OG 3.11Å; S116-P118 WeakPolarHBondContact O-CD 3.48Å |
| 117 | V | 89.4 | Confident | 90 | Very high | 55 Ų | 55 | 101.4 Ų | 101.4 | 33% | 0.333 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -69.8 | 119.9 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | S113 V121 K122 | S113-V117 PolarHBondContact O-N 2.99Å; V117-V121 HydrophobicContact CG1-CB 3.86Å; V117-V121 HydrophobicContact CG1-CG1 3.84Å; V117-K122 HydrophobicContact CG1-CB 4.17Å |
| 118 | P | 88.7 | Confident | 89.9 | Confident | 39 Ų | 39 | 99.5 Ų | 99.5 | 25% | 0.253 | 53% | 0.527 | S | S | . | . | trans | -61.8 | 148.7 | 178.2 | -23.1 | 34.4 | 0 | 0 | 0 | 112.7 | S116 V121 K122 | S116-P118 WeakPolarHBondContact O-CD 3.48Å; P118-V121 HydrophobicContact CB-CG2 4.39Å; P118-V121 HydrophobicContact CG-CG2 4.44Å; P118-V121 PolarHBondContact O-N 2.76Å; P118-K122 PolarHBondContact O-N 2.78Å | ||
| 119 | N | 88.2 | Confident | 90 | Very high | 91 Ų | 91 | 100.2 Ų | 100.2 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -49.6 | -46.3 | -177 | -69.8 | -30.4 | 0 | 0 | 0 | 113.9 | V121 K122 E123 | N119-V121 PolarHBondContact O-N 2.98Å; N119-K122 CarbonylContact O-C 3.43Å; N119-K122 WeakPolarHBondContact O-CB 3.32Å; N119-K122 PolarHBondContact O-N 3.29Å; N119-K122 VanDerWaalsContact O-N 3.15Å; N119-E123 PolarHBondContact O-N 3.04Å |
| 120 | P | 87.4 | Confident | 90.2 | Very high | 5 Ų | 5 | 101.8 Ų | 101.8 | 3% | 0.032 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -63 | -36.9 | 177.8 | -24.7 | 34.3 | 0 | 0 | 0 | 114.5 | K5 R6 D50 K122 E123 M124 | K5-P120 WeakPolarHBondContact O-CB 3.32Å; R6-P120 HydrophobicContact CG-CB 3.91Å; R6-P120 HydrophobicContact CG-CG 3.63Å; R6-P120 VanDerWaalsContact NE-CG 3.32Å; D50-P120 VanDerWaalsContact OD2-CG 3.23Å; D50-P120 WeakPolarHBondContact OD2-CG 3.25Å; P120-K122 VanDerWaalsContact C-N 3.29Å; P120-K122 PolarHBondContact O-N 3.46Å; P120-E123 PolarHBondContact O-N 3.46Å; P120-M124 WeakPolarHBondContact O-CG 3.48Å; P120-M124 PolarHBondContact O-N 2.82Å |
| 121 | V | 88.3 | Confident | 90.4 | Very high | 36 Ų | 36 | 96.6 Ų | 96.6 | 22% | 0.218 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -69.7 | -33.9 | 178 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | K5 V117 P118 N119 Y125 | K5-V121 HydrophobicContact CG-CG2 4.47Å; V117-V121 HydrophobicContact CG1-CB 3.86Å; V117-V121 HydrophobicContact CG1-CG1 3.84Å; P118-V121 HydrophobicContact CB-CG2 4.39Å; P118-V121 HydrophobicContact CG-CG2 4.44Å; P118-V121 PolarHBondContact O-N 2.76Å; N119-V121 PolarHBondContact O-N 2.98Å; V121-Y125 VanDerWaalsContact O-CB 3.31Å; V121-Y125 WeakPolarHBondContact O-CB 3.38Å; V121-Y125 PolarHBondContact O-N 2.96Å |
| 122 | K | 89.4 | Confident | 90.7 | Very high | 111 Ų | 111 | 94.3 Ų | 94.3 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 172.7 | -171.8 | -179.1 | 178.5 | -176.6 | 0 | 112.1 | V117 P118 N119 P120 Y125 N126 | V117-K122 HydrophobicContact CG1-CB 4.17Å; P118-K122 PolarHBondContact O-N 2.78Å; N119-K122 CarbonylContact O-C 3.43Å; N119-K122 WeakPolarHBondContact O-CB 3.32Å; N119-K122 PolarHBondContact O-N 3.29Å; N119-K122 VanDerWaalsContact O-N 3.15Å; P120-K122 VanDerWaalsContact C-N 3.29Å; P120-K122 PolarHBondContact O-N 3.46Å; K122-Y125 PolarHBondContact O-N 3.27Å; K122-N126 WeakPolarHBondContact O-CB 3.43Å; K122-N126 PolarHBondContact O-N 3.17Å; K122-N126 PolarHBondContact O-ND2 2.84Å |
| 123 | E | 88.8 | Confident | 91 | Very high | 87 Ų | 87 | 92.2 Ų | 92.2 | 41% | 0.407 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -50.1 | 171 | -70.2 | -171 | 159.8 | 0 | 0 | 111.2 | K46 N119 P120 Y125 N126 L127 | K46-E123 IonicContact NZ-OE1 3.14Å; K46-E123 PolarHBondContact NZ-OE1 3.46Å; K46-E123 IonicContact NZ-OE2 2.87Å; K46-E123 PolarHBondContact NZ-OE2 3.4Å; N119-E123 PolarHBondContact O-N 3.04Å; P120-E123 PolarHBondContact O-N 3.46Å; E123-Y125 VanDerWaalsContact C-N 3.33Å; E123-Y125 PolarHBondContact O-N 2.83Å; E123-N126 PolarHBondContact O-N 3.08Å; E123-L127 WeakPolarHBondContact O-CG 3.46Å; E123-L127 PolarHBondContact O-N 2.79Å; E123-L127 VanDerWaalsContact O-N 3.14Å |
| 124 | M | 88.3 | Confident | 91.2 | Very high | 87 Ų | 87 | 92.8 Ų | 92.8 | 43% | 0.429 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.8 | -40.3 | 176.1 | -69.6 | -179.2 | 67.1 | 0 | 0 | 112.8 | P120 L127 S128 | P120-M124 WeakPolarHBondContact O-CG 3.48Å; P120-M124 PolarHBondContact O-N 2.82Å; M124-L127 PolarHBondContact O-N 3.06Å; M124-S128 PolarHBondContact O-N 3.23Å; M124-S128 PolarHBondContact O-OG 3.01Å |
| 125 | Y | 90.6 | Very high | 91.5 | Very high | 160 Ų | 160 | 86.8 Ų | 86.8 | 63% | 0.627 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.5 | -39.4 | 176.1 | -179.9 | -100.2 | 0 | 0 | 0 | 112.3 | V121 K122 E123 L127 S128 | V121-Y125 VanDerWaalsContact O-CB 3.31Å; V121-Y125 WeakPolarHBondContact O-CB 3.38Å; V121-Y125 PolarHBondContact O-N 2.96Å; K122-Y125 PolarHBondContact O-N 3.27Å; E123-Y125 VanDerWaalsContact C-N 3.33Å; E123-Y125 PolarHBondContact O-N 2.83Å; Y125-L127 VanDerWaalsContact C-N 3.29Å; Y125-L127 PolarHBondContact O-N 3.14Å; Y125-S128 WeakPolarHBondContact O-CB 3.49Å; Y125-S128 PolarHBondContact O-N 3.22Å |
| 126 | N | 92.1 | Very high | 91.8 | Very high | 98 Ų | 98 | 86.9 Ų | 86.9 | 52% | 0.524 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69 | -26.3 | 178 | -70.5 | -21.4 | 0 | 0 | 0 | 113.4 | K122 E123 | K122-N126 WeakPolarHBondContact O-CB 3.43Å; K122-N126 PolarHBondContact O-N 3.17Å; K122-N126 PolarHBondContact O-ND2 2.84Å; E123-N126 PolarHBondContact O-N 3.08Å |
| 127 | L | 90.3 | Very high | 92 | Very high | 153 Ų | 153 | 88.6 Ų | 88.6 | 80% | 0.801 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -8.7 | 173.6 | -67.7 | 171.5 | 0 | 0 | 0 | 113.5 | E123 M124 Y125 | E123-L127 WeakPolarHBondContact O-CG 3.46Å; E123-L127 PolarHBondContact O-N 2.79Å; E123-L127 VanDerWaalsContact O-N 3.14Å; M124-L127 PolarHBondContact O-N 3.06Å; Y125-L127 VanDerWaalsContact C-N 3.29Å; Y125-L127 PolarHBondContact O-N 3.14Å |
| 128 | S | 92.4 | Very high | 92.2 | Very high | 67 Ų | 67 | 87.6 Ų | 87.6 | 47% | 0.469 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -82.2 | 154.2 | 179.5 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | M124 Y125 K130 | M124-S128 PolarHBondContact O-N 3.23Å; M124-S128 PolarHBondContact O-OG 3.01Å; Y125-S128 WeakPolarHBondContact O-CB 3.49Å; Y125-S128 PolarHBondContact O-N 3.22Å; S128-K130 PolarHBondContact O-N 3.15Å |
| 129 | D | 95.6 | Very high | 92.6 | Very high | 168 Ų | 168 | 90.9 Ų | 90.9 | 90% | 0.898 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -58 | 130.1 | 176.6 | -69 | -50.2 | 0 | 0 | 0 | 111.7 | ||
| 130 | K | 94.6 | Very high | 92.9 | Very high | 171 Ų | 171 | 95.7 Ų | 95.7 | 74% | 0.743 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -83.6 | 146.8 | 179.5 | -67.9 | 171.8 | -174.9 | 169.3 | 0 | 109.7 | S128 | S128-K130 PolarHBondContact O-N 3.15Š|
| 131 | P | 95.1 | Very high | 93.3 | Very high | 53 Ų | 53 | 99 Ų | 99 | 34% | 0.344 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -60 | 153.6 | 173.8 | 28.4 | -36.1 | 0 | 0 | 0 | 110.4 | L148 Y151 | P131-L148 HydrophobicContact CB-CD1 4.02Å; P131-L148 HydrophobicContact CG-CD1 4.2Å; P131-Y151 HydrophobicContact CB-CD1 3.95Å; P131-Y151 HydrophobicContact CB-CE1 3.7Å |
| 132 | P | 95.7 | Very high | 93.7 | Very high | 59 Ų | 59 | 105 Ų | 105 | 38% | 0.383 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 144.9 | 173.4 | -24.4 | 34.1 | 0 | 0 | 0 | 111 | L134 Y151 | P132-L134 HydrophobicContact CB-CD2 4.31Å; P132-L134 HydrophobicContact CB-CG 4.22Å; P132-L134 PolarHBondContact O-N 2.99Å; P132-Y151 HydrophobicContact CG-CE2 4.39Å |
| 133 | P | 94.9 | Very high | 93.9 | Very high | 96 Ų | 96 | 102.7 Ų | 102.7 | 62% | 0.623 | 53% | 0.53 | S | S | * | . | trans | -76.9 | 47.8 | -170.7 | 32.8 | -37.8 | 0 | 0 | 0 | 113.1 | T135 I136 | P133-T135 PolarHBondContact O-N 3.04Å; P133-I136 VanDerWaalsContact O-CG1 3.32Å; P133-I136 WeakPolarHBondContact O-CG1 3.48Å; P133-I136 WeakPolarHBondContact O-CG2 3.42Å; P133-I136 PolarHBondContact O-N 2.76Å; P133-I136 VanDerWaalsContact O-N 3.14Å | ||
| 134 | L | 95.8 | Very high | 94 | Very high | 50 Ų | 50 | 106.7 Ų | 106.7 | 26% | 0.262 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -58.3 | -20.9 | -174.2 | -60.1 | 179.1 | 0 | 0 | 0 | 113.5 | P132 I136 L137 A147 Y151 | P132-L134 HydrophobicContact CB-CD2 4.31Å; P132-L134 HydrophobicContact CB-CG 4.22Å; P132-L134 PolarHBondContact O-N 2.99Å; L134-I136 PolarHBondContact O-N 3.24Å; L134-L137 HydrophobicContact CD2-CD1 4.14Å; L134-L137 WeakPolarHBondContact O-CA 3.49Å; L134-L137 VanDerWaalsContact O-CB 3.29Å; L134-L137 WeakPolarHBondContact O-CB 3.47Å; L134-L137 PolarHBondContact O-N 3.47Å; L134-A147 HydrophobicContact CB-CB 4.37Å; L134-A147 VanDerWaalsContact O-CB 3.25Å; L134-A147 WeakPolarHBondContact O-CB 3.4Å; L134-Y151 HydrophobicContact CD1-CD2 4.42Å; L134-Y151 HydrophobicContact CD1-CG 4.11Å |
| 135 | T | 94.6 | Very high | 94.3 | Very high | 68 Ų | 68 | 108.3 Ų | 108.3 | 42% | 0.417 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -54 | -25.4 | 174.7 | -44.5 | 0 | 0 | 0 | 0 | 113.1 | P133 L137 T138 | P133-T135 PolarHBondContact O-N 3.04Å; T135-L137 PolarHBondContact O-N 3.2Å; T135-T138 WeakPolarHBondContact O-CB 3.4Å; T135-T138 PolarHBondContact O-N 2.95Å; T135-T138 PolarHBondContact O-OG1 3.47Å |
| 136 | I | 96.5 | Very high | 94.5 | Very high | 115 Ų | 115 | 104.6 Ų | 104.6 | 59% | 0.59 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -64.4 | -21 | 172.5 | 72.8 | -171.1 | 0 | 0 | 0 | 113.5 | P133 L134 P139 | P133-I136 VanDerWaalsContact O-CG1 3.32Å; P133-I136 WeakPolarHBondContact O-CG1 3.48Å; P133-I136 WeakPolarHBondContact O-CG2 3.42Å; P133-I136 PolarHBondContact O-N 2.76Å; P133-I136 VanDerWaalsContact O-N 3.14Å; L134-I136 PolarHBondContact O-N 3.24Å; I136-P139 WeakPolarHBondContact O-CD 3.42Å |
| 137 | L | 95.1 | Very high | 94.6 | Very high | 91 Ų | 91 | 100.3 Ų | 100.3 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -89.7 | -16.2 | 178.6 | -57.8 | 173.6 | 0 | 0 | 0 | 112.5 | L134 T135 P139 Y140 A147 | L134-L137 HydrophobicContact CD2-CD1 4.14Å; L134-L137 WeakPolarHBondContact O-CA 3.49Å; L134-L137 VanDerWaalsContact O-CB 3.29Å; L134-L137 WeakPolarHBondContact O-CB 3.47Å; L134-L137 PolarHBondContact O-N 3.47Å; T135-L137 PolarHBondContact O-N 3.2Å; L137-P139 VanDerWaalsContact C-CD 3.41Å; L137-P139 VanDerWaalsContact C-N 3.34Å; L137-Y140 PolarHBondContact O-N 2.84Å; L137-A147 HydrophobicContact CB-CB 4.17Å |
| 138 | T | 94.7 | Very high | 94.9 | Very high | 35 Ų | 35 | 94.6 Ų | 94.6 | 22% | 0.215 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -52.1 | -41 | 179.2 | -58 | 0 | 0 | 0 | 0 | 113.9 | T135 Y140 R141 A147 | T135-T138 WeakPolarHBondContact O-CB 3.4Å; T135-T138 PolarHBondContact O-N 2.95Å; T135-T138 PolarHBondContact O-OG1 3.47Å; T138-Y140 PolarHBondContact O-N 3.33Å; T138-R141 PolarHBondContact O-N 3.4Å; T138-A147 WeakPolarHBondContact OG1-CB 3.15Å; T138-A147 PolarHBondContact OG1-N 3.31Å |
| 139 | P | 96.3 | Very high | 95.1 | Very high | 107 Ų | 107 | 95.2 Ų | 95.2 | 70% | 0.695 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -65.3 | -16.2 | 178.3 | -22.3 | 35.3 | 0 | 0 | 0 | 114.8 | I136 L137 | I136-P139 WeakPolarHBondContact O-CD 3.42Å; L137-P139 VanDerWaalsContact C-CD 3.41Å; L137-P139 VanDerWaalsContact C-N 3.34Å |
| 140 | Y | 95.1 | Very high | 95 | Very high | 192 Ų | 192 | 93 Ų | 93 | 75% | 0.753 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -102.2 | 21.8 | -177.8 | -53.5 | -87.2 | 0 | 0 | 0 | 112.2 | L137 T138 | L137-Y140 PolarHBondContact O-N 2.84Å; T138-Y140 PolarHBondContact O-N 3.33Å |
| 141 | R | 95.4 | Very high | 95.1 | Very high | 74 Ų | 74 | 91.8 Ų | 91.8 | 28% | 0.279 | 46% | 0.459 | S | S | . | . | trans | -110.8 | 123.3 | -178.8 | -68.2 | -171.1 | 61.7 | 85.9 | 8 | 112.9 | T138 D143 H144 K145 F150 | T138-R141 PolarHBondContact O-N 3.4Å; R141-D143 IonicContact CZ-OD1 2.68Å; R141-D143 IonicContact CZ-OD2 3.17Å; R141-D143 IonicContact NE-OD1 3.69Å; R141-D143 PolarHBondContact NE-OD1 3.01Å; R141-D143 IonicContact NE-OD2 3.92Å; R141-D143 IonicContact NH2-OD1 2.69Å; R141-D143 PolarHBondContact NH2-OD1 3.3Å; R141-D143 VanDerWaalsContact NH2-OD1 3.08Å; R141-D143 IonicContact NH2-OD2 2.72Å; R141-D143 PolarHBondContact NH2-OD2 3.18Å; R141-D143 PolarHBondContact O-N 3.38Å; R141-H144 PolarHBondContact O-N 3.03Å; R141-H144 PolarHBondContact O-ND1 2.9Å; R141-K145 WeakPolarHBondContact CD-O 3.49Å; R141-F150 VanDerWaalsContact CZ-CE2 3.44Å | ||
| 142 | D | 96.4 | Very high | 95.2 | Very high | 164 Ų | 164 | 92.5 Ų | 92.5 | 88% | 0.877 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.7 | 177.2 | -47.7 | -54.7 | 0 | 0 | 0 | 113.3 | H144 | D142-H144 VanDerWaalsContact C-N 3.34Š|
| 143 | D | 94.6 | Very high | 95.2 | Very high | 61 Ų | 61 | 91.7 Ų | 91.7 | 33% | 0.326 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -1.8 | -179.8 | 76.5 | -12.4 | 0 | 0 | 0 | 114.4 | R141 K145 F150 | R141-D143 IonicContact CZ-OD1 2.68Å; R141-D143 IonicContact CZ-OD2 3.17Å; R141-D143 IonicContact NE-OD1 3.69Å; R141-D143 PolarHBondContact NE-OD1 3.01Å; R141-D143 IonicContact NE-OD2 3.92Å; R141-D143 IonicContact NH2-OD1 2.69Å; R141-D143 PolarHBondContact NH2-OD1 3.3Å; R141-D143 VanDerWaalsContact NH2-OD1 3.08Å; R141-D143 IonicContact NH2-OD2 2.72Å; R141-D143 PolarHBondContact NH2-OD2 3.18Å; R141-D143 PolarHBondContact O-N 3.38Å; D143-K145 HydrophobicContact CB-CG 4.47Å; D143-K145 PolarHBondContact O-N 2.99Å; D143-K145 PolarHBondContact OD1-N 3.45Å; D143-K145 VanDerWaalsContact OD1-N 3.1Å; D143-K145 WeakPolarHBondContact OD2-CD 3.49Å; D143-F150 WeakPolarHBondContact OD2-CZ 3.31Å |
| 144 | H | 90.2 | Very high | 95.1 | Very high | 171 Ų | 171 | 92 Ų | 92 | 79% | 0.792 | 46% | 0.457 | S | S | * | . | trans | 52.7 | 18.4 | -177.2 | -55.2 | -29.4 | 0 | 0 | 0 | 115.3 | R141 D142 | R141-H144 PolarHBondContact O-N 3.03Å; R141-H144 PolarHBondContact O-ND1 2.9Å; D142-H144 VanDerWaalsContact C-N 3.34Å | ||
| 145 | K | 93.7 | Very high | 95.1 | Very high | 122 Ų | 122 | 91.6 Ų | 91.6 | 53% | 0.53 | 46% | 0.458 | S | S | . | . | trans | -86.2 | 147.5 | 176.6 | -64.8 | 179.5 | -165 | 161.5 | 0 | 110.6 | R141 D143 A147 F150 | R141-K145 WeakPolarHBondContact CD-O 3.49Å; D143-K145 HydrophobicContact CB-CG 4.47Å; D143-K145 PolarHBondContact O-N 2.99Å; D143-K145 PolarHBondContact OD1-N 3.45Å; D143-K145 VanDerWaalsContact OD1-N 3.1Å; D143-K145 WeakPolarHBondContact OD2-CD 3.49Å; K145-A147 PolarHBondContact O-N 3.09Å; K145-A147 VanDerWaalsContact O-N 3.17Å; K145-F150 HydrophobicContact CB-CE2 3.81Å; K145-F150 HydrophobicContact CB-CZ 4.14Å; K145-F150 HydrophobicContact CD-CZ 4.08Å | ||
| 146 | E | 94.8 | Very high | 95.2 | Very high | 81 Ų | 81 | 94.8 Ų | 94.8 | 38% | 0.379 | 46% | 0.464 | S | S | . | . | trans | -60.7 | 118.9 | 175.5 | -175.8 | 179.7 | -165 | 0 | 0 | 110.7 | L148 K149 | E146-L148 HydrophobicContact CG-CB 4.12Å; E146-L148 PolarHBondContact O-N 3.17Å; E146-L148 VanDerWaalsContact O-N 3.15Å; E146-K149 HydrophobicContact CB-CD 4.23Å; E146-K149 HydrophobicContact CB-CG 4.27Å; E146-K149 WeakPolarHBondContact O-CB 3.33Å; E146-K149 PolarHBondContact O-N 3.17Å | ||
| 147 | A | 95.5 | Very high | 95.1 | Very high | 8 Ų | 8 | 97.1 Ų | 97.1 | 7% | 0.066 | 47% | 0.469 | C | S | . | . | G | 310 helix | trans | -59.5 | -29.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L134 L137 T138 K145 K149 F150 | L134-A147 HydrophobicContact CB-CB 4.37Å; L134-A147 VanDerWaalsContact O-CB 3.25Å; L134-A147 WeakPolarHBondContact O-CB 3.4Å; L137-A147 HydrophobicContact CB-CB 4.17Å; T138-A147 WeakPolarHBondContact OG1-CB 3.15Å; T138-A147 PolarHBondContact OG1-N 3.31Å; K145-A147 PolarHBondContact O-N 3.09Å; K145-A147 VanDerWaalsContact O-N 3.17Å; A147-K149 VanDerWaalsContact C-N 3.34Å; A147-K149 PolarHBondContact O-N 3.15Å; A147-F150 PolarHBondContact O-N 3.43Å |
| 148 | L | 96 | Very high | 95.1 | Very high | 34 Ų | 34 | 98.1 Ų | 98.1 | 18% | 0.178 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | -66.5 | -30.9 | 177.3 | -175.7 | 60.1 | 0 | 0 | 0 | 113.1 | P131 E146 F150 Y151 T152 | P131-L148 HydrophobicContact CB-CD1 4.02Å; P131-L148 HydrophobicContact CG-CD1 4.2Å; E146-L148 HydrophobicContact CG-CB 4.12Å; E146-L148 PolarHBondContact O-N 3.17Å; E146-L148 VanDerWaalsContact O-N 3.15Å; L148-F150 PolarHBondContact O-N 3.1Å; L148-Y151 HydrophobicContact CD1-CD1 4.47Å; L148-Y151 PolarHBondContact O-N 2.63Å; L148-T152 HydrophobicContact CD1-CG2 4.11Å; L148-T152 HydrophobicContact CG-CG2 4.25Å; L148-T152 PolarHBondContact O-N 3.28Å |
| 149 | K | 95.9 | Very high | 95.2 | Very high | 79 Ų | 79 | 99.7 Ų | 99.7 | 34% | 0.343 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -63.5 | -23.9 | 178.2 | -78.5 | 177.7 | 162.8 | -83.2 | 0 | 113.2 | E146 A147 Y151 T152 D153 S155 | E146-K149 HydrophobicContact CB-CD 4.23Å; E146-K149 HydrophobicContact CB-CG 4.27Å; E146-K149 WeakPolarHBondContact O-CB 3.33Å; E146-K149 PolarHBondContact O-N 3.17Å; A147-K149 VanDerWaalsContact C-N 3.34Å; A147-K149 PolarHBondContact O-N 3.15Å; K149-Y151 PolarHBondContact O-N 2.68Å; K149-T152 WeakPolarHBondContact CA-O 3.44Å; K149-D153 HydrophobicContact CB-CB 4.09Å; K149-D153 WeakPolarHBondContact CD-OD2 3.43Å; K149-D153 HydrophobicContact CG-CB 4.08Å; K149-D153 IonicContact NZ-OD1 2.81Å; K149-D153 PolarHBondContact NZ-OD1 2.95Å; K149-D153 IonicContact NZ-OD2 3.83Å; K149-D153 PolarHBondContact NZ-OD2 2.92Å; K149-S155 PolarHBondContact NZ-OG 2.98Å; K149-S155 VanDerWaalsContact NZ-OG 3.1Å |
| 150 | F | 94.8 | Very high | 95.2 | Very high | 123 Ų | 123 | 98.4 Ų | 98.4 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -73.4 | -13.4 | 173.3 | -65.5 | -92.4 | 0 | 0 | 0 | 113.5 | R141 D143 K145 A147 L148 | R141-F150 VanDerWaalsContact CZ-CE2 3.44Å; D143-F150 WeakPolarHBondContact OD2-CZ 3.31Å; K145-F150 HydrophobicContact CB-CE2 3.81Å; K145-F150 HydrophobicContact CB-CZ 4.14Å; K145-F150 HydrophobicContact CD-CZ 4.08Å; A147-F150 PolarHBondContact O-N 3.43Å; L148-F150 PolarHBondContact O-N 3.1Å |
| 151 | Y | 96.4 | Very high | 95.3 | Very high | 145 Ų | 145 | 93.8 Ų | 93.8 | 57% | 0.569 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -40.4 | 173.9 | 179.3 | -90.7 | 0 | 0 | 0 | 111.8 | P131 P132 L134 L148 K149 | P131-Y151 HydrophobicContact CB-CD1 3.95Å; P131-Y151 HydrophobicContact CB-CE1 3.7Å; P132-Y151 HydrophobicContact CG-CE2 4.39Å; L134-Y151 HydrophobicContact CD1-CD2 4.42Å; L134-Y151 HydrophobicContact CD1-CG 4.11Å; L148-Y151 HydrophobicContact CD1-CD1 4.47Å; L148-Y151 PolarHBondContact O-N 2.63Å; K149-Y151 PolarHBondContact O-N 2.68Å |
| 152 | T | 96.3 | Very high | 95.3 | Very high | 68 Ų | 68 | 95 Ų | 95 | 42% | 0.417 | 45% | 0.453 | S | S | . | . | trans | -152.3 | 119.8 | 176 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | L148 K149 | L148-T152 HydrophobicContact CD1-CG2 4.11Å; L148-T152 HydrophobicContact CG-CG2 4.25Å; L148-T152 PolarHBondContact O-N 3.28Å; K149-T152 WeakPolarHBondContact CA-O 3.44Å | ||
| 153 | D | 95.8 | Very high | 95.4 | Very high | 42 Ų | 42 | 93.6 Ų | 93.6 | 23% | 0.225 | 44% | 0.441 | C | S | . | . | trans | -124.2 | 103 | 174.5 | -167.5 | -8.1 | 0 | 0 | 0 | 111.8 | K149 S155 Y156 | K149-D153 HydrophobicContact CB-CB 4.09Å; K149-D153 WeakPolarHBondContact CD-OD2 3.43Å; K149-D153 HydrophobicContact CG-CB 4.08Å; K149-D153 IonicContact NZ-OD1 2.81Å; K149-D153 PolarHBondContact NZ-OD1 2.95Å; K149-D153 IonicContact NZ-OD2 3.83Å; K149-D153 PolarHBondContact NZ-OD2 2.92Å; D153-S155 VanDerWaalsContact C-N 3.27Å; D153-S155 PolarHBondContact O-N 2.69Å; D153-S155 PolarHBondContact OD1-N 2.91Å; D153-S155 PolarHBondContact OD1-OG 2.82Å; D153-Y156 WeakPolarHBondContact O-CB 3.48Å; D153-Y156 PolarHBondContact O-N 3.44Å | ||
| 154 | P | 93.9 | Very high | 95.4 | Very high | 103 Ų | 103 | 96 Ų | 96 | 67% | 0.669 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.7 | 175.9 | -23.9 | 35.5 | 0 | 0 | 0 | 115.3 | ||
| 155 | S | 94.5 | Very high | 95.6 | Very high | 41 Ų | 41 | 89.4 Ų | 89.4 | 29% | 0.287 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -21.2 | 179.6 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | K149 D153 F157 F158 D159 | K149-S155 PolarHBondContact NZ-OG 2.98Å; K149-S155 VanDerWaalsContact NZ-OG 3.1Å; D153-S155 VanDerWaalsContact C-N 3.27Å; D153-S155 PolarHBondContact O-N 2.69Å; D153-S155 PolarHBondContact OD1-N 2.91Å; D153-S155 PolarHBondContact OD1-OG 2.82Å; S155-F157 VanDerWaalsContact C-N 3.29Å; S155-F157 PolarHBondContact O-N 3.37Å; S155-F157 VanDerWaalsContact O-N 3.08Å; S155-F158 WeakPolarHBondContact O-CA 3.46Å; S155-F158 WeakPolarHBondContact O-CB 3.22Å; S155-F158 PolarHBondContact O-N 3.24Å; S155-D159 WeakPolarHBondContact CB-OD2 3.36Å; S155-D159 PolarHBondContact O-N 3.18Å; S155-D159 PolarHBondContact OG-OD2 3.31Å |
| 156 | Y | 96.6 | Very high | 95.7 | Very high | 135 Ų | 135 | 87 Ų | 87 | 53% | 0.529 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -44.5 | -46.4 | -176.8 | 177.8 | -99.7 | 0 | 0 | 0 | 114.5 | D153 F158 D159 L160 | D153-Y156 WeakPolarHBondContact O-CB 3.48Å; D153-Y156 PolarHBondContact O-N 3.44Å; Y156-F158 VanDerWaalsContact C-N 3.35Å; Y156-F158 PolarHBondContact O-N 3.28Å; Y156-D159 PolarHBondContact O-N 3.02Å; Y156-L160 HydrophobicContact CE1-CD2 4.05Å; Y156-L160 VanDerWaalsContact O-CB 3.24Å; Y156-L160 WeakPolarHBondContact O-CB 3.11Å; Y156-L160 PolarHBondContact O-N 2.91Å |
| 157 | F | 96.1 | Very high | 95.8 | Very high | 163 Ų | 163 | 87.7 Ų | 87.7 | 72% | 0.715 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.4 | -38.2 | 179.9 | -63.6 | -75.2 | 0 | 0 | 0 | 113.2 | S155 W161 | S155-F157 VanDerWaalsContact C-N 3.29Å; S155-F157 PolarHBondContact O-N 3.37Å; S155-F157 VanDerWaalsContact O-N 3.08Å; F157-W161 VanDerWaalsContact O-CB 3.23Å; F157-W161 WeakPolarHBondContact O-CB 3.38Å; F157-W161 PolarHBondContact O-N 3.39Å |
| 158 | F | 95.3 | Very high | 95.7 | Very high | 112 Ų | 112 | 90.4 Ų | 90.4 | 49% | 0.491 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -75.7 | -41.8 | 177.3 | 176.5 | -94.7 | 0 | 0 | 0 | 111.2 | S155 Y156 W161 K162 | S155-F158 WeakPolarHBondContact O-CA 3.46Å; S155-F158 WeakPolarHBondContact O-CB 3.22Å; S155-F158 PolarHBondContact O-N 3.24Å; Y156-F158 VanDerWaalsContact C-N 3.35Å; Y156-F158 PolarHBondContact O-N 3.28Å; F158-W161 AromaticContact CD2-CE3 3.98Å; F158-W161 HydrophobicContact CD2-CE3 3.98Å; F158-W161 HydrophobicContact CD2-CZ3 4.02Å; F158-W161 HydrophobicContact CE2-CE3 4.05Å; F158-W161 AromaticContact CE2-CZ3 3.65Å; F158-W161 HydrophobicContact CE2-CZ3 3.65Å; F158-W161 HydrophobicContact CZ-CZ3 4.43Å; F158-W161 PolarHBondContact O-N 2.96Å; F158-K162 HydrophobicContact CE1-CD 4.17Å; F158-K162 WeakPolarHBondContact O-CB 3.49Å; F158-K162 PolarHBondContact O-N 3.29Å |
| 159 | D | 96.3 | Very high | 95.6 | Very high | 68 Ų | 68 | 89.5 Ų | 89.5 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.8 | -45.9 | -179.2 | -66.6 | -43.9 | 0 | 0 | 0 | 111.4 | S155 Y156 K162 E163 | S155-D159 WeakPolarHBondContact CB-OD2 3.36Å; S155-D159 PolarHBondContact O-N 3.18Å; S155-D159 PolarHBondContact OG-OD2 3.31Å; Y156-D159 PolarHBondContact O-N 3.02Å; D159-K162 PolarHBondContact O-N 3.1Å; D159-E163 WeakPolarHBondContact O-CB 3.49Å; D159-E163 PolarHBondContact O-N 3.17Å |
| 160 | L | 96.8 | Very high | 95.5 | Very high | 81 Ų | 81 | 88.2 Ų | 88.2 | 42% | 0.424 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 175.1 | -179.7 | 65.1 | 0 | 0 | 0 | 112.5 | Y156 K164 | Y156-L160 HydrophobicContact CE1-CD2 4.05Å; Y156-L160 VanDerWaalsContact O-CB 3.24Å; Y156-L160 WeakPolarHBondContact O-CB 3.11Å; Y156-L160 PolarHBondContact O-N 2.91Å; L160-K164 WeakPolarHBondContact O-CB 3.26Å; L160-K164 PolarHBondContact O-N 3.02Å |
| 161 | W | 96.7 | Very high | 95.5 | Very high | 94 Ų | 94 | 85.8 Ų | 85.8 | 36% | 0.356 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 175.1 | 168.1 | 79.3 | 0 | 0 | 0 | 111.6 | F157 F158 K164 M165 V466 | F157-W161 VanDerWaalsContact O-CB 3.23Å; F157-W161 WeakPolarHBondContact O-CB 3.38Å; F157-W161 PolarHBondContact O-N 3.39Å; F158-W161 AromaticContact CD2-CE3 3.98Å; F158-W161 HydrophobicContact CD2-CE3 3.98Å; F158-W161 HydrophobicContact CD2-CZ3 4.02Å; F158-W161 HydrophobicContact CE2-CE3 4.05Å; F158-W161 AromaticContact CE2-CZ3 3.65Å; F158-W161 HydrophobicContact CE2-CZ3 3.65Å; F158-W161 HydrophobicContact CZ-CZ3 4.43Å; F158-W161 PolarHBondContact O-N 2.96Å; W161-K164 PolarHBondContact O-N 3.18Å; W161-M165 HydrophobicContact CD2-CG 4.1Å; W161-M165 HydrophobicContact CG-CG 4.36Å; W161-M165 HydrophobicContact CZ2-CG 4.07Å; W161-M165 VanDerWaalsContact O-CG 3.31Å; W161-M165 WeakPolarHBondContact O-CG 3.29Å; W161-M165 PolarHBondContact O-N 2.94Å; W161-V466 HydrophobicContact CH2-CB 3.67Å; W161-V466 HydrophobicContact CH2-CG1 4.24Å; W161-V466 HydrophobicContact CH2-CG2 3.82Å; W161-V466 HydrophobicContact CZ3-CB 4.33Å; W161-V466 HydrophobicContact CZ3-CG1 4.44Å; W161-V466 HydrophobicContact CZ3-CG2 4.4Å |
| 162 | K | 95.6 | Very high | 95.3 | Very high | 101 Ų | 101 | 85.6 Ų | 85.6 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 176.4 | 171.3 | -170.6 | 167.9 | -162.9 | 0 | 110.8 | F158 D159 K164 M165 L166 | F158-K162 HydrophobicContact CE1-CD 4.17Å; F158-K162 WeakPolarHBondContact O-CB 3.49Å; F158-K162 PolarHBondContact O-N 3.29Å; D159-K162 PolarHBondContact O-N 3.1Å; K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 3.44Å; K162-M165 PolarHBondContact O-N 3.22Å; K162-L166 HydrophobicContact CG-CD1 3.95Å; K162-L166 WeakPolarHBondContact O-CD1 3.35Å; K162-L166 PolarHBondContact O-N 3.26Å |
| 163 | E | 96.8 | Very high | 95 | Very high | 133 Ų | 133 | 84.6 Ų | 84.6 | 62% | 0.621 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -53.7 | -51 | 174.6 | -179 | 177.8 | -165.7 | 0 | 0 | 111 | D159 M165 L166 Q167 | D159-E163 WeakPolarHBondContact O-CB 3.49Å; D159-E163 PolarHBondContact O-N 3.17Å; E163-M165 PolarHBondContact O-N 2.93Å; E163-L166 PolarHBondContact O-N 3.47Å; E163-Q167 PolarHBondContact O-N 3.32Å |
| 164 | K | 96.1 | Very high | 94.9 | Very high | 111 Ų | 111 | 87 Ų | 87 | 48% | 0.483 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 176.6 | 178.3 | 166.6 | 166.8 | 53.6 | 0 | 113 | L160 W161 K162 Q167 D168 | L160-K164 WeakPolarHBondContact O-CB 3.26Å; L160-K164 PolarHBondContact O-N 3.02Å; W161-K164 PolarHBondContact O-N 3.18Å; K162-K164 VanDerWaalsContact C-N 3.34Å; K162-K164 PolarHBondContact O-N 3.44Å; K164-Q167 PolarHBondContact O-N 3.13Å; K164-D168 VanDerWaalsContact CE-OD2 3.3Å; K164-D168 WeakPolarHBondContact CE-OD2 3.31Å; K164-D168 IonicContact NZ-OD1 2.67Å; K164-D168 PolarHBondContact NZ-OD1 2.86Å; K164-D168 IonicContact NZ-OD2 3.86Å; K164-D168 PolarHBondContact NZ-OD2 3.31Å; K164-D168 WeakPolarHBondContact O-CB 3.17Å; K164-D168 VanDerWaalsContact O-CG 3.23Å; K164-D168 PolarHBondContact O-N 2.84Å |
| 165 | M | 94.3 | Very high | 94.9 | Very high | 34 Ų | 34 | 87.4 Ų | 87.4 | 17% | 0.167 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.1 | -33.2 | 178.7 | -68.6 | -61.3 | 93.2 | 0 | 0 | 112.7 | W161 K162 E163 D168 T169 A467 L470 | W161-M165 HydrophobicContact CD2-CG 4.1Å; W161-M165 HydrophobicContact CG-CG 4.36Å; W161-M165 HydrophobicContact CZ2-CG 4.07Å; W161-M165 VanDerWaalsContact O-CG 3.31Å; W161-M165 WeakPolarHBondContact O-CG 3.29Å; W161-M165 PolarHBondContact O-N 2.94Å; K162-M165 PolarHBondContact O-N 3.22Å; E163-M165 PolarHBondContact O-N 2.93Å; M165-D168 WeakPolarHBondContact CE-OD2 3.28Å; M165-T169 VanDerWaalsContact O-CB 3.29Å; M165-T169 WeakPolarHBondContact O-CB 3.43Å; M165-T169 PolarHBondContact O-N 3.01Å; M165-T169 VanDerWaalsContact O-N 3.17Å; M165-T169 PolarHBondContact O-OG1 2.94Å; M165-A467 HydrophobicContact CB-CB 4.37Å; M165-A467 HydrophobicContact CG-CB 4.3Å; M165-A467 HydrophobicContact SD-CB 3.85Å; M165-L470 HydrophobicContact CB-CD1 4.43Å |
| 166 | L | 95.3 | Very high | 94.8 | Very high | 71 Ų | 71 | 91.6 Ų | 91.6 | 37% | 0.372 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67 | -46.5 | 170.3 | -86.9 | 80.4 | 0 | 0 | 0 | 110.9 | K162 E163 T169 E170 L470 | K162-L166 HydrophobicContact CG-CD1 3.95Å; K162-L166 WeakPolarHBondContact O-CD1 3.35Å; K162-L166 PolarHBondContact O-N 3.26Å; E163-L166 PolarHBondContact O-N 3.47Å; L166-T169 WeakPolarHBondContact O-CB 3.42Å; L166-T169 PolarHBondContact O-N 3.06Å; L166-E170 WeakPolarHBondContact O-CB 3.49Å; L166-E170 PolarHBondContact O-N 2.89Å; L166-L470 HydrophobicContact CD1-CD1 3.58Å; L166-L470 HydrophobicContact CD1-CD2 3.96Å; L166-L470 HydrophobicContact CD1-CG 4.41Å; L166-L470 HydrophobicContact CG-CD1 4.42Å; L166-L470 HydrophobicContact CG-CD2 4.41Å |
| 167 | Q | 96 | Very high | 94.5 | Very high | 96 Ų | 96 | 91 Ų | 91 | 45% | 0.449 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 179.7 | -174.9 | 60.3 | 37.6 | 0 | 0 | 112.4 | E163 K164 T169 E170 D171 | E163-Q167 PolarHBondContact O-N 3.32Å; K164-Q167 PolarHBondContact O-N 3.13Å; Q167-T169 PolarHBondContact O-N 2.93Å; Q167-E170 WeakPolarHBondContact O-CB 3.37Å; Q167-E170 PolarHBondContact O-N 3.08Å; Q167-E170 VanDerWaalsContact O-N 3.1Å; Q167-D171 VanDerWaalsContact NE2-CG 3.26Å; Q167-D171 PolarHBondContact NE2-OD1 3.05Å; Q167-D171 PolarHBondContact NE2-OD2 3.06Å; Q167-D171 PolarHBondContact O-N 3.48Å |
| 168 | D | 94.6 | Very high | 94.3 | Very high | 65 Ų | 65 | 89.3 Ų | 89.3 | 35% | 0.348 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.2 | -34.4 | 175.8 | -72.3 | -4.8 | 0 | 0 | 0 | 111.3 | K164 M165 K172 | K164-D168 VanDerWaalsContact CE-OD2 3.3Å; K164-D168 WeakPolarHBondContact CE-OD2 3.31Å; K164-D168 IonicContact NZ-OD1 2.67Å; K164-D168 PolarHBondContact NZ-OD1 2.86Å; K164-D168 IonicContact NZ-OD2 3.86Å; K164-D168 PolarHBondContact NZ-OD2 3.31Å; K164-D168 WeakPolarHBondContact O-CB 3.17Å; K164-D168 VanDerWaalsContact O-CG 3.23Å; K164-D168 PolarHBondContact O-N 2.84Å; M165-D168 WeakPolarHBondContact CE-OD2 3.28Å; D168-K172 WeakPolarHBondContact O-CB 3.35Å; D168-K172 PolarHBondContact O-N 3.21Å; D168-K172 VanDerWaalsContact O-N 3.13Å |
| 169 | T | 94.1 | Very high | 93.9 | Very high | 14 Ų | 14 | 87.9 Ų | 87.9 | 9% | 0.086 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -70.8 | -38.9 | 175.2 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | M165 L166 Q167 R173 I474 | M165-T169 VanDerWaalsContact O-CB 3.29Å; M165-T169 WeakPolarHBondContact O-CB 3.43Å; M165-T169 PolarHBondContact O-N 3.01Å; M165-T169 VanDerWaalsContact O-N 3.17Å; M165-T169 PolarHBondContact O-OG1 2.94Å; L166-T169 WeakPolarHBondContact O-CB 3.42Å; L166-T169 PolarHBondContact O-N 3.06Å; Q167-T169 PolarHBondContact O-N 2.93Å; T169-R173 PolarHBondContact O-N 3.1Å; T169-I474 HydrophobicContact CG2-CD1 4.19Å |
| 170 | E | 93.2 | Very high | 93.6 | Very high | 52 Ų | 52 | 91 Ų | 91 | 24% | 0.243 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.3 | -51 | 177.3 | -174.3 | 58.3 | -135.4 | 0 | 0 | 111.7 | L166 Q167 K172 R173 K174 | L166-E170 WeakPolarHBondContact O-CB 3.49Å; L166-E170 PolarHBondContact O-N 2.89Å; Q167-E170 WeakPolarHBondContact O-CB 3.37Å; Q167-E170 PolarHBondContact O-N 3.08Å; Q167-E170 VanDerWaalsContact O-N 3.1Å; E170-K172 VanDerWaalsContact C-N 3.34Å; E170-K172 PolarHBondContact O-N 3.02Å; E170-R173 WeakPolarHBondContact O-CA 3.41Å; E170-R173 WeakPolarHBondContact O-CB 3.24Å; E170-R173 PolarHBondContact O-N 3.45Å; E170-R173 IonicContact OE1-CZ 3.92Å; E170-R173 IonicContact OE1-NH1 3.87Å; E170-R173 PolarHBondContact OE1-NH1 3.4Å; E170-R173 IonicContact OE2-CZ 3.08Å; E170-R173 IonicContact OE2-NH1 3.77Å; E170-R173 PolarHBondContact OE2-NH1 2.84Å; E170-R173 IonicContact OE2-NH2 2.84Å; E170-R173 PolarHBondContact OE2-NH2 2.69Å; E170-K174 HydrophobicContact CG-CD 4.23Å; E170-K174 VanDerWaalsContact CG-NZ 3.3Å; E170-K174 PolarHBondContact O-N 2.83Å; E170-K174 WeakPolarHBondContact OE1-CE 3.36Å; E170-K174 IonicContact OE1-NZ 2.79Å |
| 171 | D | 94.3 | Very high | 93 | Very high | 72 Ų | 72 | 93.6 Ų | 93.6 | 39% | 0.385 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.1 | -35 | -178.7 | -68.4 | -28.3 | 0 | 0 | 0 | 111.7 | Q167 R173 K174 E175 | Q167-D171 VanDerWaalsContact NE2-CG 3.26Å; Q167-D171 PolarHBondContact NE2-OD1 3.05Å; Q167-D171 PolarHBondContact NE2-OD2 3.06Å; Q167-D171 PolarHBondContact O-N 3.48Å; D171-R173 PolarHBondContact O-N 3.34Å; D171-K174 PolarHBondContact O-N 3.23Å; D171-K174 IonicContact OD1-NZ 3.67Å; D171-E175 VanDerWaalsContact O-CB 3.31Å; D171-E175 WeakPolarHBondContact O-CB 3.47Å; D171-E175 PolarHBondContact O-N 3.47Å |
| 172 | K | 93.9 | Very high | 92.3 | Very high | 142 Ų | 142 | 95.5 Ų | 95.5 | 62% | 0.617 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65 | -24.1 | 171 | -169.5 | 171.4 | -173.9 | 175.1 | 0 | 113.1 | D168 E170 K176 | D168-K172 WeakPolarHBondContact O-CB 3.35Å; D168-K172 PolarHBondContact O-N 3.21Å; D168-K172 VanDerWaalsContact O-N 3.13Å; E170-K172 VanDerWaalsContact C-N 3.34Å; E170-K172 PolarHBondContact O-N 3.02Å; K172-K176 WeakPolarHBondContact O-CG 3.39Å; K172-K176 PolarHBondContact O-N 3.47Å |
| 173 | R | 89.3 | Confident | 91.4 | Very high | 46 Ų | 46 | 98.6 Ų | 98.6 | 17% | 0.174 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -80.1 | -45.7 | 172.1 | -153.3 | -172.9 | -38.6 | 105.7 | 19 | 111.4 | T169 E170 D171 E175 K176 R177 | T169-R173 PolarHBondContact O-N 3.1Å; E170-R173 WeakPolarHBondContact O-CA 3.41Å; E170-R173 WeakPolarHBondContact O-CB 3.24Å; E170-R173 PolarHBondContact O-N 3.45Å; E170-R173 IonicContact OE1-CZ 3.92Å; E170-R173 IonicContact OE1-NH1 3.87Å; E170-R173 PolarHBondContact OE1-NH1 3.4Å; E170-R173 IonicContact OE2-CZ 3.08Å; E170-R173 IonicContact OE2-NH1 3.77Å; E170-R173 PolarHBondContact OE2-NH1 2.84Å; E170-R173 IonicContact OE2-NH2 2.84Å; E170-R173 PolarHBondContact OE2-NH2 2.69Å; D171-R173 PolarHBondContact O-N 3.34Å; R173-E175 PolarHBondContact O-N 2.78Å; R173-K176 PolarHBondContact O-N 2.94Å; R173-R177 PolarHBondContact O-N 2.87Å |
| 174 | K | 94.6 | Very high | 90.1 | Very high | 94 Ų | 94 | 100.9 Ų | 100.9 | 41% | 0.409 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 175.8 | -71.4 | 167.4 | 178.7 | 159.9 | 0 | 111.8 | E170 D171 K176 R177 K178 | E170-K174 HydrophobicContact CG-CD 4.23Å; E170-K174 VanDerWaalsContact CG-NZ 3.3Å; E170-K174 PolarHBondContact O-N 2.83Å; E170-K174 WeakPolarHBondContact OE1-CE 3.36Å; E170-K174 IonicContact OE1-NZ 2.79Å; D171-K174 PolarHBondContact O-N 3.23Å; D171-K174 IonicContact OD1-NZ 3.67Å; K174-K176 PolarHBondContact O-N 3.24Å; K174-R177 PolarHBondContact O-N 2.68Å; K174-K178 WeakPolarHBondContact O-CG 3.45Å; K174-K178 PolarHBondContact O-N 2.81Å |
| 175 | E | 92.8 | Very high | 88.7 | Confident | 110 Ų | 110 | 99.9 Ų | 99.9 | 51% | 0.514 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.7 | -36.4 | 178 | -173.3 | 57.7 | -161.6 | 0 | 0 | 112.3 | D171 R173 K178 Q179 | D171-E175 VanDerWaalsContact O-CB 3.31Å; D171-E175 WeakPolarHBondContact O-CB 3.47Å; D171-E175 PolarHBondContact O-N 3.47Å; R173-E175 PolarHBondContact O-N 2.78Å; E175-K178 PolarHBondContact O-N 3.33Å; E175-Q179 WeakPolarHBondContact O-CB 3.3Å; E175-Q179 PolarHBondContact O-N 3.36Å |
| 176 | K | 91.9 | Very high | 87.2 | Confident | 129 Ų | 129 | 102.9 Ų | 102.9 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.3 | -39.5 | 171.5 | -80.5 | -177.7 | 173.4 | -171.5 | 0 | 112.9 | K172 R173 K174 K180 | K172-K176 WeakPolarHBondContact O-CG 3.39Å; K172-K176 PolarHBondContact O-N 3.47Å; R173-K176 PolarHBondContact O-N 2.94Å; K174-K176 PolarHBondContact O-N 3.24Å; K176-K180 WeakPolarHBondContact O-CB 3.39Å; K176-K180 PolarHBondContact O-N 2.89Å |
| 177 | R | 90.6 | Very high | 85.2 | Confident | 124 Ų | 124 | 105 Ų | 105 | 47% | 0.468 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.3 | -49.7 | 172.9 | -77.9 | -176 | 170.7 | 155.4 | -2.1 | 110.6 | R173 K174 Q179 K180 E181 E482 | R173-R177 PolarHBondContact O-N 2.87Å; K174-R177 PolarHBondContact O-N 2.68Å; R177-Q179 PolarHBondContact O-N 3.48Å; R177-K180 WeakPolarHBondContact O-CB 3.23Å; R177-K180 PolarHBondContact O-N 3.03Å; R177-E181 PolarHBondContact O-N 3.46Å; R177-E482 IonicContact CZ-OE1 3.9Å; R177-E482 IonicContact NE-OE1 3.37Å; R177-E482 IonicContact NH2-OE1 3.03Å; R177-E482 PolarHBondContact NH2-OE1 3.4Å |
| 178 | K | 92.6 | Very high | 83.3 | Confident | 127 Ų | 127 | 102.6 Ų | 102.6 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -56.9 | -42.8 | 175.2 | -70.6 | 176.3 | -179.9 | 178.1 | 0 | 113.4 | K174 E175 E181 Q182 | K174-K178 WeakPolarHBondContact O-CG 3.45Å; K174-K178 PolarHBondContact O-N 2.81Å; E175-K178 PolarHBondContact O-N 3.33Å; K178-E181 PolarHBondContact O-N 3.05Å; K178-Q182 WeakPolarHBondContact O-CB 3.35Å; K178-Q182 PolarHBondContact O-N 2.84Å |
| 179 | Q | 87.1 | Confident | 81.5 | Confident | 82 Ų | 82 | 105.1 Ų | 105.1 | 38% | 0.383 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.8 | -36.1 | 178.7 | -159.2 | -163.9 | 106.3 | 0 | 0 | 112.1 | E175 R177 E181 R183 | E175-Q179 WeakPolarHBondContact O-CB 3.3Å; E175-Q179 PolarHBondContact O-N 3.36Å; R177-Q179 PolarHBondContact O-N 3.48Å; Q179-E181 VanDerWaalsContact C-N 3.34Å; Q179-R183 WeakPolarHBondContact O-CB 3.46Å; Q179-R183 VanDerWaalsContact O-CG 3.22Å; Q179-R183 WeakPolarHBondContact O-CG 2.95Å; Q179-R183 PolarHBondContact O-N 3.22Å |
| 180 | K | 88.8 | Confident | 79.5 | Confident | 133 Ų | 133 | 110.7 Ų | 110.7 | 58% | 0.578 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 172.9 | -175.2 | -175 | 179.7 | -172.5 | 0 | 110.7 | K176 R177 R184 | K176-K180 WeakPolarHBondContact O-CB 3.39Å; K176-K180 PolarHBondContact O-N 2.89Å; R177-K180 WeakPolarHBondContact O-CB 3.23Å; R177-K180 PolarHBondContact O-N 3.03Å; K180-R184 WeakPolarHBondContact O-CG 3.34Å; K180-R184 PolarHBondContact O-N 2.75Å |
| 181 | E | 85.6 | Confident | 77.3 | Confident | 135 Ų | 135 | 117 Ų | 117 | 63% | 0.631 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67 | -49.7 | 177.4 | -175.4 | 178.8 | -167 | 0 | 0 | 112.7 | R177 K178 Q179 R183 R184 C185 | R177-E181 PolarHBondContact O-N 3.46Å; K178-E181 PolarHBondContact O-N 3.05Å; Q179-E181 VanDerWaalsContact C-N 3.34Å; E181-R183 VanDerWaalsContact C-N 3.27Å; E181-R183 PolarHBondContact O-N 3.39Å; E181-R184 WeakPolarHBondContact O-CA 3.43Å; E181-R184 WeakPolarHBondContact O-CB 3.23Å; E181-R184 PolarHBondContact O-N 3.4Å; E181-C185 PolarHBondContact O-N 2.94Å |
| 182 | Q | 80.3 | Confident | 75.3 | Confident | 135 Ų | 135 | 123.7 Ų | 123.7 | 63% | 0.631 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.1 | -40.1 | 176.1 | -174.1 | 179.6 | 66 | 0 | 0 | 111.6 | K178 C185 V186 | K178-Q182 WeakPolarHBondContact O-CB 3.35Å; K178-Q182 PolarHBondContact O-N 2.84Å; Q182-C185 PolarHBondContact O-N 3.44Å; Q182-V186 WeakPolarHBondContact O-CG2 3.31Å; Q182-V186 PolarHBondContact O-N 3.4Å |
| 183 | R | 77 | Confident | 73.3 | Confident | 165 Ų | 165 | 125.4 Ų | 125.4 | 62% | 0.623 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.6 | -43.8 | 172.7 | -74.6 | 174 | -176.7 | -82.2 | 4.3 | 112.2 | Q179 E181 C185 V186 D187 | Q179-R183 WeakPolarHBondContact O-CB 3.46Å; Q179-R183 VanDerWaalsContact O-CG 3.22Å; Q179-R183 WeakPolarHBondContact O-CG 2.95Å; Q179-R183 PolarHBondContact O-N 3.22Å; E181-R183 VanDerWaalsContact C-N 3.27Å; E181-R183 PolarHBondContact O-N 3.39Å; R183-C185 VanDerWaalsContact C-N 3.3Å; R183-C185 PolarHBondContact O-N 3.34Å; R183-V186 PolarHBondContact O-N 2.69Å; R183-D187 VanDerWaalsContact O-CB 3.26Å; R183-D187 WeakPolarHBondContact O-CB 3.43Å; R183-D187 PolarHBondContact O-N 2.88Å |
| 184 | R | 70.8 | Confident | 71.6 | Confident | 182 Ų | 182 | 129.4 Ų | 129.4 | 69% | 0.687 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.6 | -36.2 | 174.3 | -75.5 | -172.6 | -177.7 | -82.5 | 20.4 | 112.5 | K180 E181 G188 | K180-R184 WeakPolarHBondContact O-CG 3.34Å; K180-R184 PolarHBondContact O-N 2.75Å; E181-R184 WeakPolarHBondContact O-CA 3.43Å; E181-R184 WeakPolarHBondContact O-CB 3.23Å; E181-R184 PolarHBondContact O-N 3.4Å; R184-G188 PolarHBondContact O-N 3.08Å; R184-G188 VanDerWaalsContact O-N 3.17Å |
| 185 | C | 65.6 | Low | 69.8 | Low | 89 Ų | 89 | 134.1 Ų | 134.1 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.1 | -44.7 | 178.7 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | E181 Q182 R183 G188 | E181-C185 PolarHBondContact O-N 2.94Å; Q182-C185 PolarHBondContact O-N 3.44Å; R183-C185 VanDerWaalsContact C-N 3.3Å; R183-C185 PolarHBondContact O-N 3.34Å; C185-G188 WeakPolarHBondContact O-CA 3.21Å; C185-G188 PolarHBondContact O-N 3.43Å; C185-G188 VanDerWaalsContact O-N 3.09Å |
| 186 | V | 63.1 | Low | 68.3 | Low | 98 Ų | 98 | 137.7 Ų | 137.7 | 59% | 0.594 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66 | -41 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | Q182 R183 G188 T189 | Q182-V186 WeakPolarHBondContact O-CG2 3.31Å; Q182-V186 PolarHBondContact O-N 3.4Å; R183-V186 PolarHBondContact O-N 2.69Å; V186-G188 PolarHBondContact O-N 2.71Å; V186-G188 VanDerWaalsContact O-N 3.17Å; V186-T189 PolarHBondContact O-N 3.22Å; V186-T189 PolarHBondContact O-OG1 3.36Å; V186-T189 VanDerWaalsContact O-OG1 3.08Å |
| 187 | D | 53.9 | Low | 66.6 | Low | 115 Ų | 115 | 138.2 Ų | 138.2 | 62% | 0.615 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 1.7 | 173.9 | -157.6 | 48.8 | 0 | 0 | 0 | 112.9 | R183 | R183-D187 VanDerWaalsContact O-CB 3.26Å; R183-D187 WeakPolarHBondContact O-CB 3.43Å; R183-D187 PolarHBondContact O-N 2.88Å |
| 188 | G | 56.5 | Low | 65 | Low | 45 Ų | 45 | 143.6 Ų | 143.6 | 46% | 0.464 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97 | -16 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R184 C185 V186 | R184-G188 PolarHBondContact O-N 3.08Å; R184-G188 VanDerWaalsContact O-N 3.17Å; C185-G188 WeakPolarHBondContact O-CA 3.21Å; C185-G188 PolarHBondContact O-N 3.43Å; C185-G188 VanDerWaalsContact O-N 3.09Å; V186-G188 PolarHBondContact O-N 2.71Å; V186-G188 VanDerWaalsContact O-N 3.17Å |
| 189 | T | 55.3 | Low | 63.7 | Low | 119 Ų | 119 | 147 Ų | 147 | 73% | 0.73 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -23.8 | -179.9 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | V186 | V186-T189 PolarHBondContact O-N 3.22Å; V186-T189 PolarHBondContact O-OG1 3.36Å; V186-T189 VanDerWaalsContact O-OG1 3.08Å |
| 190 | L | 53.4 | Low | 62.3 | Low | 130 Ų | 130 | 147.5 Ų | 147.5 | 68% | 0.681 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -74.9 | 127.4 | 158.5 | -67.5 | 175.6 | 0 | 0 | 0 | 108.1 | R192 | L190-R192 PolarHBondContact O-N 3.14Š|
| 191 | Q | 46.2 | Very low | 61.1 | Low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | trans | -56.2 | 131.9 | 176.4 | -72.1 | -172.1 | -2.3 | 0 | 0 | 109.8 | E193 | Q191-E193 PolarHBondContact O-N 3.18Š| ||
| 192 | R | 52.5 | Low | 60.3 | Low | 212 Ų | 212 | 150 Ų | 150 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | trans | -67.6 | 85.8 | 167.8 | -62.9 | -179.1 | -167.1 | 155.6 | 7.2 | 108.7 | L190 V194 | L190-R192 PolarHBondContact O-N 3.14Å; R192-V194 PolarHBondContact O-N 3.42Å | ||
| 193 | E | 51 | Low | 59.9 | Low | 178 Ų | 178 | 150.4 Ų | 150.4 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | trans | -48.9 | 116.6 | 153.3 | -86.1 | -150.3 | 134.3 | 0 | 0 | 106.5 | Q191 K195 | Q191-E193 PolarHBondContact O-N 3.18Å; E193-K195 VanDerWaalsContact C-N 3.31Å; E193-K195 PolarHBondContact O-N 3.19Å | ||
| 194 | V | 53.7 | Low | 59.9 | Low | 131 Ų | 131 | 151.7 Ų | 151.7 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | trans | -63.6 | 97.9 | -175.4 | 178 | 0 | 0 | 0 | 0 | 107.2 | R192 K196 | R192-V194 PolarHBondContact O-N 3.42Å; V194-K196 WeakPolarHBondContact O-CG 3.09Å; V194-K196 PolarHBondContact O-N 3.34Å | ||
| 195 | K | 57.9 | Low | 59.9 | Low | 192 Ų | 192 | 151 Ų | 151 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | trans | -69.1 | 80 | -170.4 | -171.1 | 172.3 | -172.9 | 168.8 | 0 | 109.2 | E193 V197 | E193-K195 VanDerWaalsContact C-N 3.31Å; E193-K195 PolarHBondContact O-N 3.19Å; K195-V197 PolarHBondContact O-N 3.39Å | ||
| 196 | K | 61.3 | Low | 60.5 | Low | 185 Ų | 185 | 149 Ų | 149 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | trans | -36.3 | 107.9 | -167.4 | -64.9 | 177.6 | -178.1 | 173.2 | 0 | 109.7 | V194 R198 | V194-K196 WeakPolarHBondContact O-CG 3.09Å; V194-K196 PolarHBondContact O-N 3.34Å; K196-R198 PolarHBondContact O-N 2.97Å | ||
| 197 | V | 54.7 | Low | 61.1 | Low | 140 Ų | 140 | 152.4 Ų | 152.4 | 85% | 0.848 | 72% | 0.72 | S | S | * | * | trans | -51.1 | 114.4 | -177.8 | 177.1 | 0 | 0 | 0 | 0 | 106.8 | K195 K199 | K195-V197 PolarHBondContact O-N 3.39Å; V197-K199 VanDerWaalsContact C-N 3.33Å; V197-K199 PolarHBondContact O-N 3.44Å | ||
| 198 | R | 58.4 | Low | 62.3 | Low | 237 Ų | 237 | 152.5 Ų | 152.5 | 89% | 0.894 | 72% | 0.72 | S | S | * | * | trans | -66.4 | 97.6 | -174.6 | -78.4 | -172.8 | 172.6 | 125.3 | -3.1 | 107.8 | K196 A200 | K196-R198 PolarHBondContact O-N 2.97Å; R198-A200 PolarHBondContact O-N 2.98Å | ||
| 199 | K | 63.7 | Low | 63.1 | Low | 198 Ų | 198 | 153.8 Ų | 153.8 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | trans | -42.3 | 115.1 | -179.7 | -170.7 | 174.5 | -173.7 | 175.3 | 0 | 108.5 | V197 R201 | V197-K199 VanDerWaalsContact C-N 3.33Å; V197-K199 PolarHBondContact O-N 3.44Å; K199-R201 PolarHBondContact O-N 2.91Å | ||
| 200 | A | 58.8 | Low | 63.8 | Low | 93 Ų | 93 | 153 Ų | 153 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | trans | -53.9 | 116.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | R198 N202 | R198-A200 PolarHBondContact O-N 2.98Å; A200-N202 PolarHBondContact O-N 2.87Å | ||
| 201 | R | 62.5 | Low | 64.9 | Low | 194 Ų | 194 | 150.9 Ų | 150.9 | 73% | 0.732 | 71% | 0.705 | S | S | * | * | trans | -64.1 | 102.2 | -175.2 | 178.5 | 173.9 | 172.3 | 153 | -3 | 108.3 | K199 R203 E206 | K199-R201 PolarHBondContact O-N 2.91Å; R201-R203 VanDerWaalsContact C-N 3.35Å; R201-R203 PolarHBondContact O-N 3.31Å; R201-E206 IonicContact CZ-OE1 2.72Å; R201-E206 IonicContact NE-OE1 3.15Å; R201-E206 PolarHBondContact NE-OE1 3.41Å; R201-E206 IonicContact NH2-OE1 3.87Å; R201-E206 PolarHBondContact NH2-OE1 3.4Å | ||
| 202 | N | 68.8 | Low | 65.9 | Low | 126 Ų | 126 | 145.7 Ų | 145.7 | 67% | 0.674 | 68% | 0.683 | S | S | * | * | trans | -68.1 | 93.4 | -176.3 | -173.6 | -15.9 | 0 | 0 | 0 | 109.6 | A200 R204 | A200-N202 PolarHBondContact O-N 2.87Å; N202-R204 PolarHBondContact O-N 3.05Å; N202-R204 WeakPolarHBondContact OD1-CB 3.31Å; N202-R204 PolarHBondContact OD1-N 3.02Å | ||
| 203 | R | 73.8 | Confident | 66.3 | Low | 144 Ų | 144 | 140.9 Ų | 140.9 | 54% | 0.543 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.4 | 1.5 | -173.8 | -144.9 | -179.1 | -65.4 | -145.3 | 6.9 | 113.3 | R201 Q205 E206 W207 | R201-R203 VanDerWaalsContact C-N 3.35Å; R201-R203 PolarHBondContact O-N 3.31Å; R203-Q205 VanDerWaalsContact C-N 3.33Å; R203-Q205 PolarHBondContact O-N 3.27Å; R203-E206 HydrophobicContact CG-CB 3.92Å; R203-E206 HydrophobicContact CG-CG 4.31Å; R203-E206 WeakPolarHBondContact CG-OE2 3.45Å; R203-E206 PolarHBondContact O-N 3.5Å; R203-E206 VanDerWaalsContact O-N 3.17Å; R203-W207 PolarHBondContact O-N 3.15Å |
| 204 | R | 76 | Confident | 66.8 | Low | 192 Ų | 192 | 141 Ų | 141 | 73% | 0.725 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -59.3 | -37.3 | -177.5 | -176.3 | 175.3 | -74.9 | -96 | 2.9 | 113.1 | N202 N208 | N202-R204 PolarHBondContact O-N 3.05Å; N202-R204 WeakPolarHBondContact OD1-CB 3.31Å; N202-R204 PolarHBondContact OD1-N 3.02Å; R204-N208 VanDerWaalsContact O-CB 3.29Å; R204-N208 WeakPolarHBondContact O-CB 3.43Å; R204-N208 PolarHBondContact O-N 3.34Å |
| 205 | Q | 71.4 | Confident | 67.2 | Low | 168 Ų | 168 | 143.5 Ų | 143.5 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68 | -41.9 | 175.1 | -84.9 | -179.3 | -35.8 | 0 | 0 | 112.3 | R203 N208 M209 | R203-Q205 VanDerWaalsContact C-N 3.33Å; R203-Q205 PolarHBondContact O-N 3.27Å; Q205-N208 PolarHBondContact O-N 3.37Å; Q205-M209 VanDerWaalsContact O-CB 3.25Å; Q205-M209 WeakPolarHBondContact O-CB 3.47Å; Q205-M209 PolarHBondContact O-N 2.93Å |
| 206 | E | 77 | Confident | 67.1 | Low | 48 Ų | 48 | 140.6 Ų | 140.6 | 22% | 0.224 | 67% | 0.667 | C | S | . | * | H | α-helix | trans | -63 | -42.3 | 175 | -66.8 | 167.5 | -144.9 | 0 | 0 | 111.4 | R201 R203 M209 M210 | R201-E206 IonicContact CZ-OE1 2.72Å; R201-E206 IonicContact NE-OE1 3.15Å; R201-E206 PolarHBondContact NE-OE1 3.41Å; R201-E206 IonicContact NH2-OE1 3.87Å; R201-E206 PolarHBondContact NH2-OE1 3.4Å; R203-E206 HydrophobicContact CG-CB 3.92Å; R203-E206 HydrophobicContact CG-CG 4.31Å; R203-E206 WeakPolarHBondContact CG-OE2 3.45Å; R203-E206 PolarHBondContact O-N 3.5Å; R203-E206 VanDerWaalsContact O-N 3.17Å; E206-M209 CarbonylContact O-C 3.47Å; E206-M209 PolarHBondContact O-N 3.41Å; E206-M210 HydrophobicContact CB-CE 3.96Å; E206-M210 WeakPolarHBondContact O-CB 3.5Å; E206-M210 VanDerWaalsContact O-CE 3.32Å; E206-M210 WeakPolarHBondContact O-CE 3.37Å; E206-M210 WeakPolarHBondContact O-CG 3.37Å; E206-M210 PolarHBondContact O-N 3.46Å |
| 207 | W | 76.1 | Confident | 67.5 | Low | 169 Ų | 169 | 135.6 Ų | 135.6 | 64% | 0.64 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.3 | -40.2 | 175.1 | -76.3 | 118.3 | 0 | 0 | 0 | 113 | R203 M210 A211 | R203-W207 PolarHBondContact O-N 3.15Å; W207-M210 HydrophobicContact CE3-CE 4.45Å; W207-M210 CarbonylContact O-C 3.57Å; W207-M210 WeakPolarHBondContact O-CA 3.38Å; W207-M210 PolarHBondContact O-N 2.75Å; W207-A211 PolarHBondContact O-N 2.67Å |
| 208 | N | 78.4 | Confident | 67.8 | Low | 117 Ų | 117 | 133.3 Ų | 133.3 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.3 | -40.2 | 176.2 | -159.3 | 13 | 0 | 0 | 0 | 111 | R204 Q205 M210 A211 L212 | R204-N208 VanDerWaalsContact O-CB 3.29Å; R204-N208 WeakPolarHBondContact O-CB 3.43Å; R204-N208 PolarHBondContact O-N 3.34Å; Q205-N208 PolarHBondContact O-N 3.37Å; N208-M210 PolarHBondContact O-N 2.98Å; N208-A211 PolarHBondContact O-N 2.87Å; N208-L212 PolarHBondContact O-N 2.65Å |
| 209 | M | 73.4 | Confident | 67.3 | Low | 71 Ų | 71 | 127 Ų | 127 | 35% | 0.35 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.5 | -16.9 | 170.4 | -171 | 171.3 | 65.4 | 0 | 0 | 112.8 | Q205 E206 R217 | Q205-M209 VanDerWaalsContact O-CB 3.25Å; Q205-M209 WeakPolarHBondContact O-CB 3.47Å; Q205-M209 PolarHBondContact O-N 2.93Å; E206-M209 CarbonylContact O-C 3.47Å; E206-M209 PolarHBondContact O-N 3.41Å; M209-R217 HydrophobicContact CG-CG 3.97Å; M209-R217 PolarHBondContact O-NE 2.91Å; M209-R217 VanDerWaalsContact O-NE 3.15Å; M209-R217 PolarHBondContact O-NH2 3.4Å; M209-R217 HydrophobicContact SD-CG 4.44Å |
| 210 | M | 70.8 | Confident | 66.9 | Low | 104 Ų | 104 | 123.8 Ų | 123.8 | 51% | 0.512 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -91.8 | -22.1 | 171.5 | -80.2 | -175.1 | -81.9 | 0 | 0 | 114 | E206 W207 N208 L212 | E206-M210 HydrophobicContact CB-CE 3.96Å; E206-M210 WeakPolarHBondContact O-CB 3.5Å; E206-M210 VanDerWaalsContact O-CE 3.32Å; E206-M210 WeakPolarHBondContact O-CE 3.37Å; E206-M210 WeakPolarHBondContact O-CG 3.37Å; E206-M210 PolarHBondContact O-N 3.46Å; W207-M210 HydrophobicContact CE3-CE 4.45Å; W207-M210 CarbonylContact O-C 3.57Å; W207-M210 WeakPolarHBondContact O-CA 3.38Å; W207-M210 PolarHBondContact O-N 2.75Å; N208-M210 PolarHBondContact O-N 2.98Å; M210-L212 VanDerWaalsContact C-N 3.29Å |
| 211 | A | 75.7 | Confident | 66.3 | Low | 85 Ų | 85 | 128.8 Ų | 128.8 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.8 | -20.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W207 N208 | W207-A211 PolarHBondContact O-N 2.67Å; N208-A211 PolarHBondContact O-N 2.87Å |
| 212 | L | 67.8 | Low | 65.6 | Low | 75 Ų | 75 | 127.9 Ų | 127.9 | 39% | 0.393 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -74.9 | 129.5 | 171.6 | -139.4 | 75 | 0 | 0 | 0 | 111 | N208 M210 L216 R217 | N208-L212 PolarHBondContact O-N 2.65Å; M210-L212 VanDerWaalsContact C-N 3.29Å; L212-L216 HydrophobicContact CD2-CB 4.14Å; L212-L216 WeakPolarHBondContact CD2-O 3.4Å; L212-L216 HydrophobicContact CG-CB 4.3Å; L212-R217 PolarHBondContact O-NH1 3.41Å; L212-R217 PolarHBondContact O-NH2 3.08Å |
| 213 | D | 61.9 | Low | 64.2 | Low | 112 Ų | 112 | 127.5 Ų | 127.5 | 60% | 0.599 | 61% | 0.608 | S | S | * | * | trans | -60.4 | 157.6 | -178.1 | -168.6 | 24.3 | 0 | 0 | 0 | 112.2 | E215 L216 R217 | D213-E215 PolarHBondContact O-N 3.23Å; D213-E215 VanDerWaalsContact O-N 3.17Å; D213-L216 PolarHBondContact O-N 3.48Å; D213-R217 PolarHBondContact O-NH1 3.14Å | ||
| 214 | K | 61.5 | Low | 62.8 | Low | 180 Ų | 180 | 127.8 Ų | 127.8 | 78% | 0.783 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -56 | -36.6 | -168.1 | -79.1 | -179.8 | 175.6 | 174.5 | 0 | 113.5 | ||
| 215 | E | 60.8 | Low | 60.9 | Low | 183 Ų | 183 | 128 Ų | 128 | 86% | 0.855 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -83.1 | -14.6 | -173.5 | -55.6 | -169.1 | 172.3 | 0 | 0 | 114 | D213 | D213-E215 PolarHBondContact O-N 3.23Å; D213-E215 VanDerWaalsContact O-N 3.17Å |
| 216 | L | 57 | Low | 59.3 | Low | 131 Ų | 131 | 130.6 Ų | 130.6 | 69% | 0.686 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -104.8 | 1.6 | -175.5 | -71.7 | 170 | 0 | 0 | 0 | 114.4 | L212 D213 | L212-L216 HydrophobicContact CD2-CB 4.14Å; L212-L216 WeakPolarHBondContact CD2-O 3.4Å; L212-L216 HydrophobicContact CG-CB 4.3Å; D213-L216 PolarHBondContact O-N 3.48Å |
| 217 | R | 68.6 | Low | 57.2 | Low | 80 Ų | 80 | 135.2 Ų | 135.2 | 30% | 0.302 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -88 | 127.7 | -176.3 | 175.5 | -165.9 | -77.3 | 79.8 | -2.8 | 111.4 | M209 L212 D213 D219 | M209-R217 HydrophobicContact CG-CG 3.97Å; M209-R217 PolarHBondContact O-NE 2.91Å; M209-R217 VanDerWaalsContact O-NE 3.15Å; M209-R217 PolarHBondContact O-NH2 3.4Å; M209-R217 HydrophobicContact SD-CG 4.44Å; L212-R217 PolarHBondContact O-NH1 3.41Å; L212-R217 PolarHBondContact O-NH2 3.08Å; D213-R217 PolarHBondContact O-NH1 3.14Å; R217-D219 PolarHBondContact O-N 3.27Å; R217-D219 VanDerWaalsContact O-N 3.16Å |
| 218 | P | 60.4 | Low | 55.2 | Low | 92 Ų | 92 | 138.4 Ų | 138.4 | 60% | 0.597 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 116.1 | 176.6 | -25.6 | 35.1 | 0 | 0 | 0 | 113 | H220 | P218-H220 PolarHBondContact O-N 3.21Å; P218-H220 PolarHBondContact O-ND1 3.14Å |
| 219 | D | 49.6 | Very low | 52.9 | Low | 105 Ų | 105 | 137.8 Ų | 137.8 | 56% | 0.561 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 128.7 | 179.6 | -169.2 | 9.3 | 0 | 0 | 0 | 110.9 | R217 R221 | R217-D219 PolarHBondContact O-N 3.27Å; R217-D219 VanDerWaalsContact O-N 3.16Å; D219-R221 PolarHBondContact O-N 2.89Å; D219-R221 VanDerWaalsContact O-N 3.13Å; D219-R221 IonicContact OD1-NH1 2.78Å; D219-R221 VanDerWaalsContact OD2-CD 3.27Å; D219-R221 WeakPolarHBondContact OD2-CD 3.34Å; D219-R221 WeakPolarHBondContact OD2-CG 3.33Å; D219-R221 IonicContact OD2-CZ 2.7Å; D219-R221 IonicContact OD2-NE 3.76Å; D219-R221 IonicContact OD2-NH1 2.7Å; D219-R221 PolarHBondContact OD2-NH1 3.36Å |
| 220 | H | 53.6 | Low | 51 | Low | 130 Ų | 130 | 138.9 Ų | 138.9 | 60% | 0.602 | 70% | 0.7 | S | S | * | * | trans | -84.1 | 19.3 | -170 | -87.2 | 51.6 | 0 | 0 | 0 | 113.8 | P218 H222 | P218-H220 PolarHBondContact O-N 3.21Å; P218-H220 PolarHBondContact O-ND1 3.14Å; H220-H222 PolarHBondContact O-N 2.82Å; H220-H222 VanDerWaalsContact O-N 3.1Å | ||
| 221 | R | 47.2 | Very low | 49.1 | Very low | 198 Ų | 198 | 139.3 Ų | 139.3 | 75% | 0.747 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 1.2 | -172.8 | -84.9 | -171.3 | 165.3 | 101.5 | -6.3 | 116.5 | D219 | D219-R221 PolarHBondContact O-N 2.89Å; D219-R221 VanDerWaalsContact O-N 3.13Å; D219-R221 IonicContact OD1-NH1 2.78Å; D219-R221 VanDerWaalsContact OD2-CD 3.27Å; D219-R221 WeakPolarHBondContact OD2-CD 3.34Å; D219-R221 WeakPolarHBondContact OD2-CG 3.33Å; D219-R221 IonicContact OD2-CZ 2.7Å; D219-R221 IonicContact OD2-NE 3.76Å; D219-R221 IonicContact OD2-NH1 2.7Å; D219-R221 PolarHBondContact OD2-NH1 3.36Å |
| 222 | H | 47.3 | Very low | 47 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 82% | 0.815 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | 11.5 | -162.9 | -68 | -7.7 | 0 | 0 | 0 | 116.5 | H220 | H220-H222 PolarHBondContact O-N 2.82Å; H220-H222 VanDerWaalsContact O-N 3.1Å |
| 223 | T | 40.8 | Very low | 45.3 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -123.7 | 5.6 | -172.5 | 52.9 | 0 | 0 | 0 | 0 | 116.8 | ||
| 224 | I | 42.6 | Very low | 43.9 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -130.3 | 30.2 | -179.9 | -30.7 | -178.4 | 0 | 0 | 0 | 113.5 | ||
| 225 | H | 36.4 | Very low | 42.6 | Very low | 195 Ų | 195 | 139.4 Ų | 139.4 | 90% | 0.903 | 74% | 0.738 | S | S | * | * | trans | -136.3 | 79 | 168.1 | -93.4 | -78.6 | 0 | 0 | 0 | 112.2 | ||||
| 226 | R | 38.5 | Very low | 41.1 | Very low | 224 Ų | 224 | 139.1 Ų | 139.1 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | -141 | 141.9 | 157.6 | -173.4 | 163.8 | 168.7 | 166 | -3.9 | 106.7 | ||||
| 227 | D | 33.5 | Very low | 40.1 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 67.8 | 57.7 | 175.7 | -48.3 | -29.7 | 0 | 0 | 0 | 118.1 | ||
| 228 | R | 33.5 | Very low | 39.2 | Very low | 236 Ų | 236 | 140 Ų | 140 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | -167.8 | 116.8 | 122.8 | 179.5 | 156.6 | -79.3 | 141.9 | -2.6 | 111.3 | |||||
| 229 | A | 29.8 | Very low | 37.8 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -91.4 | 134.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 230 | A | 33.7 | Very low | 36.9 | Very low | 95 Ų | 95 | 144.5 Ų | 144.5 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -160.5 | 138.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 231 | S | 31.6 | Very low | 35.8 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -59.4 | 161.6 | 175.9 | -39.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 232 | S | 31.1 | Very low | 34.9 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | cis | -157.7 | 176.9 | 39.5 | -112.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 233 | E | 32.7 | Very low | 34.1 | Very low | 178 Ų | 178 | 142 Ų | 142 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -14.2 | 150.6 | 157.4 | -57.7 | 130.3 | 128.8 | 0 | 0 | 118.2 | ||||
| 234 | G | 31.6 | Very low | 33.3 | Very low | 74 Ų | 74 | 141.1 Ų | 141.1 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | cis | 176.9 | 170.8 | 2.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 235 | S | 34.3 | Very low | 32.8 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -70.5 | 147.3 | -177.8 | -51.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 236 | M | 29.4 | Very low | 32.6 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | 176.2 | 149.9 | 103.2 | -86 | -48.2 | -179.5 | 0 | 0 | 111.9 | |||||
| 237 | S | 35.6 | Very low | 32.2 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -99.1 | 152.2 | 156 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 238 | P | 49.3 | Very low | 32.2 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | -146.2 | 165.4 | 109.6 | 38.1 | -23 | 0 | 0 | 0 | 116.8 | |||||
| 239 | E | 32.2 | Very low | 32 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | -79.2 | 141.3 | 174.5 | 176.2 | 72 | -120.1 | 0 | 0 | 113.6 | ||||
| 240 | N | 29.8 | Very low | 31.9 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | trans | -173.6 | 120.3 | 136.3 | -124.3 | -20.3 | 0 | 0 | 0 | 117.3 | ||||
| 241 | R | 31.9 | Very low | 32.8 | Very low | 214 Ų | 214 | 134 Ų | 134 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | trans | 27.1 | 137.8 | 134 | -65.9 | 179.2 | 171.7 | 139.3 | -4.8 | 124 | ||||
| 242 | G | 26.8 | Very low | 32.8 | Very low | 65 Ų | 65 | 134.7 Ų | 134.7 | 67% | 0.67 | 74% | 0.735 | S | S | * | * | trans | 151.3 | 99.5 | 149 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 243 | H | 30.9 | Very low | 32.8 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | 62.4 | 129.1 | 79.3 | -62.7 | -44.1 | 0 | 0 | 0 | 114.3 | |||||
| 244 | S | 23.2 | Very low | 32.7 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | cis | -171.7 | 166.7 | -8.1 | -134.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 245 | V | 33.3 | Very low | 32.7 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 67% | 0.673 | 72% | 0.724 | S | S | * | * | trans | 63.6 | 102.3 | 147.7 | 167 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 246 | D | 31.4 | Very low | 32.7 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | 97.4 | 174.8 | 88.3 | -72.9 | -22 | 0 | 0 | 0 | 112.6 | |||||
| 247 | Q | 30.7 | Very low | 32.7 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 62% | 0.621 | 72% | 0.721 | S | S | * | * | cis | -150 | 124.4 | 10.4 | -157.6 | 99.6 | 79.8 | 0 | 0 | 113.8 | ||||
| 248 | H | 33.9 | Very low | 32.4 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 63% | 0.63 | 72% | 0.723 | S | S | * | * | trans | 34 | 143.9 | 145 | -46.8 | 165.4 | 0 | 0 | 0 | 123.8 | ||||
| 249 | H | 28.1 | Very low | 31.5 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 85% | 0.852 | 72% | 0.722 | S | S | * | * | -152.7 | 149.6 | 104.1 | -109.1 | 73.3 | 0 | 0 | 0 | 114.3 | |||||
| 250 | Y | 27.5 | Very low | 31.5 | Very low | 209 Ų | 209 | 131.4 Ų | 131.4 | 82% | 0.82 | 72% | 0.721 | S | S | * | * | trans | -118.1 | -173.1 | 178.7 | -106.5 | -109.3 | 0 | 0 | 0 | 108.2 | ||||
| 251 | P | 54 | Low | 31.5 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | cis | -121.1 | -162.5 | 3.2 | 43.3 | -26.4 | 0 | 0 | 0 | 112.5 | ||||
| 252 | N | 31.4 | Very low | 31.6 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | cis | -153.4 | -178.1 | 8.2 | -140.9 | 5.7 | 0 | 0 | 0 | 108.1 | ||||
| 253 | S | 30.5 | Very low | 31.6 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | cis | -156.9 | -175.6 | 9.5 | -157.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 254 | M | 31.5 | Very low | 31.8 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 66% | 0.655 | 73% | 0.733 | S | S | * | * | trans | -63.3 | 147.2 | 172.2 | -103 | 40 | 78.9 | 0 | 0 | 114 | ||||
| 255 | N | 30.4 | Very low | 32.4 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | 63.7 | 142.4 | 53.7 | -84.5 | -11.5 | 0 | 0 | 0 | 113.4 | |||||
| 256 | H | 34.5 | Very low | 33.3 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | cis | -143.1 | 141.5 | 23.8 | -85.4 | -71.4 | 0 | 0 | 0 | 110.6 | ||||
| 257 | A | 29.9 | Very low | 34 | Very low | 101 Ų | 101 | 131 Ų | 131 | 84% | 0.835 | 73% | 0.732 | S | S | * | * | 94.2 | 143.3 | 81 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 258 | G | 29 | Very low | 34.5 | Very low | 74 Ų | 74 | 131 Ų | 131 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | trans | -175.1 | 142.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 259 | H | 31.4 | Very low | 35 | Very low | 172 Ų | 172 | 129.2 Ų | 129.2 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | -87.7 | 145.1 | -167.3 | -80.5 | -123.3 | 0 | 0 | 0 | 114.8 | H261 | H259-H261 AromaticContact CE1-NE2 3.82Å; H259-H261 AromaticContact ND1-CD2 3.78Å; H259-H261 AromaticContact ND1-CE1 3.92Å; H259-H261 AromaticContact ND1-NE2 2.98Å; H259-H261 PolarHBondContact ND1-NE2 3.21Å | ||
| 260 | A | 30.6 | Very low | 35.8 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | trans | -145.1 | 118.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | T262 | A260-T262 PolarHBondContact O-N 3.15Š| ||
| 261 | H | 30 | Very low | 36.3 | Very low | 164 Ų | 164 | 124.1 Ų | 124.1 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | -93.1 | 92.3 | -178.7 | -74.9 | -91.9 | 0 | 0 | 0 | 111.3 | H259 Y263 | H259-H261 AromaticContact CE1-NE2 3.82Å; H259-H261 AromaticContact ND1-CD2 3.78Å; H259-H261 AromaticContact ND1-CE1 3.92Å; H259-H261 AromaticContact ND1-NE2 2.98Å; H259-H261 PolarHBondContact ND1-NE2 3.21Å; H261-Y263 PolarHBondContact O-N 3.15Å | ||
| 262 | T | 33.7 | Very low | 35.8 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | trans | -83.8 | 100.3 | 173.8 | -27.7 | 0 | 0 | 0 | 0 | 110.2 | A260 S264 | A260-T262 PolarHBondContact O-N 3.15Å; T262-S264 PolarHBondContact O-N 3Å; T262-S264 VanDerWaalsContact O-N 3.12Å | ||
| 263 | Y | 28.7 | Very low | 36.2 | Very low | 216 Ų | 216 | 121.2 Ų | 121.2 | 85% | 0.847 | 74% | 0.74 | S | S | * | * | trans | -72.3 | 103.2 | 174.8 | -172.9 | -91 | 0 | 0 | 0 | 110.5 | H261 G265 | H261-Y263 PolarHBondContact O-N 3.15Å; Y263-G265 PolarHBondContact O-N 3.39Å; Y263-G265 VanDerWaalsContact O-N 3.14Å | ||
| 264 | S | 33.3 | Very low | 36.7 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | -78.3 | 93 | 178.3 | 57.8 | 0 | 0 | 0 | 0 | 111.3 | T262 | T262-S264 PolarHBondContact O-N 3Å; T262-S264 VanDerWaalsContact O-N 3.12Å | ||
| 265 | G | 37.6 | Very low | 37 | Very low | 50 Ų | 50 | 126.4 Ų | 126.4 | 52% | 0.515 | 76% | 0.755 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 153.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y263 | Y263-G265 PolarHBondContact O-N 3.39Å; Y263-G265 VanDerWaalsContact O-N 3.14Å |
| 266 | P | 50.6 | Low | 37.6 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 156.3 | 178.6 | 29.8 | -35.4 | 0 | 0 | 0 | 112.4 | ||
| 267 | P | 46 | Very low | 38 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 150.5 | -179.5 | 28.1 | -35.6 | 0 | 0 | 0 | 112.5 | S269 | P267-S269 PolarHBondContact O-N 3.23Š|
| 268 | P | 42.3 | Very low | 38 | Very low | 132 Ų | 132 | 120 Ų | 120 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 124.2 | -177 | 25.9 | -34.3 | 0 | 0 | 0 | 111.6 | ||
| 269 | S | 43.3 | Very low | 38.3 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 143.1 | 179.1 | -72.6 | 0 | 0 | 0 | 0 | 112.3 | P267 L271 A272 | P267-S269 PolarHBondContact O-N 3.23Å; S269-L271 PolarHBondContact O-N 2.76Å; S269-A272 PolarHBondContact O-N 3.07Å |
| 270 | I | 45.1 | Very low | 38.5 | Very low | 153 Ų | 153 | 122.5 Ų | 122.5 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -59 | -15.1 | -172.1 | -71.7 | 173.2 | 0 | 0 | 0 | 114.4 | A272 A273 | I270-A272 VanDerWaalsContact C-N 3.25Å; I270-A272 PolarHBondContact O-N 2.89Å; I270-A273 PolarHBondContact O-N 3.4Å |
| 271 | L | 39.5 | Very low | 39.1 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -61.1 | -28.5 | -178 | -161.2 | 67.3 | 0 | 0 | 0 | 113.9 | S269 A273 Q274 | S269-L271 PolarHBondContact O-N 2.76Å; L271-A273 PolarHBondContact O-N 3.05Å; L271-Q274 PolarHBondContact O-N 2.97Å |
| 272 | A | 42.4 | Very low | 39.2 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -66.3 | -21.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | S269 I270 | S269-A272 PolarHBondContact O-N 3.07Å; I270-A272 VanDerWaalsContact C-N 3.25Å; I270-A272 PolarHBondContact O-N 2.89Å |
| 273 | A | 41 | Very low | 39 | Very low | 83 Ų | 83 | 126.3 Ų | 126.3 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -82.2 | -10.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I270 L271 | I270-A273 PolarHBondContact O-N 3.4Å; L271-A273 PolarHBondContact O-N 3.05Å |
| 274 | Q | 39.1 | Very low | 39.1 | Very low | 152 Ų | 152 | 120.1 Ų | 120.1 | 71% | 0.71 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -104.1 | -4 | -165.7 | -160.1 | 160.3 | 17.7 | 0 | 0 | 114.8 | L271 | L271-Q274 PolarHBondContact O-N 2.97Š|
| 275 | M | 37.8 | Very low | 38.9 | Very low | 180 Ų | 180 | 118.3 Ų | 118.3 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -87.4 | -7.2 | 176.1 | -70.8 | -73.1 | -158.8 | 0 | 0 | 113.9 | ||
| 276 | A | 45 | Very low | 38.7 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -97.9 | 2.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 277 | A | 41.8 | Very low | 37.8 | Very low | 91 Ų | 91 | 127.8 Ų | 127.8 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -138.3 | 99.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 278 | G | 29.1 | Very low | 37.1 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | 174.4 | 44.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 279 | H | 36.8 | Very low | 36.5 | Very low | 206 Ų | 206 | 126.3 Ų | 126.3 | 95% | 0.954 | 78% | 0.784 | S | S | * | * | trans | -132.2 | 139.9 | 157.3 | -87.5 | -73.4 | 0 | 0 | 0 | 110.7 | ||||
| 280 | A | 34.3 | Very low | 35.9 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -115 | 158.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 281 | P | 44 | Very low | 35 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -86.1 | 170 | -165.3 | 35.6 | -37.8 | 0 | 0 | 0 | 113.7 | ||||
| 282 | R | 31.4 | Very low | 34.6 | Very low | 251 Ų | 251 | 133.8 Ų | 133.8 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | trans | -153.8 | 102.5 | 166.9 | -161.4 | 175.4 | -167.2 | -121.8 | -1.1 | 114.5 | ||||
| 283 | G | 29.4 | Very low | 34 | Very low | 82 Ų | 82 | 135.2 Ų | 135.2 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 69.6 | 117.7 | 148.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 284 | G | 30.9 | Very low | 33.5 | Very low | 86 Ų | 86 | 138.8 Ų | 138.8 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -121.4 | -175.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 285 | G | 29.8 | Very low | 33 | Very low | 74 Ų | 74 | 139.7 Ų | 139.7 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | 144.1 | 141.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 286 | E | 32.3 | Very low | 32.7 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | cis | -160.8 | 178.3 | -0.1 | -110.3 | -174.2 | 116.4 | 0 | 0 | 110 | ||||
| 287 | Q | 31.7 | Very low | 31.9 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | 80.4 | 113.3 | 171.4 | -53.2 | -176.6 | 8.7 | 0 | 0 | 116.4 | ||||
| 288 | D | 31.1 | Very low | 31.2 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | 87.4 | 143.9 | 63.4 | -105 | -32.1 | 0 | 0 | 0 | 113.8 | |||||
| 289 | S | 30.6 | Very low | 31 | Very low | 63 Ų | 63 | 145.4 Ų | 145.4 | 44% | 0.441 | 81% | 0.81 | S | S | . | * | cis | -163.5 | 146.6 | -3.2 | -147.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 290 | R | 30.2 | Very low | 30.5 | Very low | 236 Ų | 236 | 139 Ų | 139 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | 64.6 | 159.7 | 158.5 | -53.9 | 145.6 | -154.7 | -153.9 | 1 | 117.2 | ||||
| 291 | G | 27.2 | Very low | 30.2 | Very low | 74 Ų | 74 | 140.3 Ų | 140.3 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | cis | 147.7 | 136.3 | -12.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 292 | R | 30 | Very low | 29.7 | Very low | 233 Ų | 233 | 142.3 Ų | 142.3 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | 81.2 | 100.4 | 162.3 | -168.7 | -176.9 | -71.7 | -117.3 | -0.9 | 121.3 | ||||
| 293 | T | 30 | Very low | 29.5 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | 47.4 | 129.7 | 114.4 | -39.3 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 294 | M | 30.2 | Very low | 29.3 | Very low | 159 Ų | 159 | 142 Ų | 142 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | 89.2 | 147.3 | 146.6 | -93.2 | -74.5 | -165.6 | 0 | 0 | 123.2 | ||||
| 295 | M | 30.4 | Very low | 29.4 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 84% | 0.837 | 79% | 0.787 | S | S | * | * | trans | 75.7 | 167.5 | 162.4 | -69.3 | -62.7 | 173.4 | 0 | 0 | 119.9 | ||||
| 296 | A | 31.2 | Very low | 29.5 | Very low | 82 Ų | 82 | 148.2 Ų | 148.2 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -131.6 | -169.8 | -154.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 297 | Y | 26.8 | Very low | 29.6 | Very low | 214 Ų | 214 | 145.8 Ų | 145.8 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | 94.7 | 134.9 | 174.4 | -69.9 | -85.3 | 0 | 0 | 0 | 118.5 | ||||
| 298 | Q | 28.7 | Very low | 29.6 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | 65.3 | 156.8 | 160.2 | -67.4 | 172 | -2.9 | 0 | 0 | 117.4 | ||||
| 299 | G | 24.6 | Very low | 29.4 | Very low | 71 Ų | 71 | 145.1 Ų | 145.1 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | cis | 156.1 | 70.3 | -9.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 300 | G | 26.6 | Very low | 29.8 | Very low | 73 Ų | 73 | 146.5 Ų | 146.5 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | 80.4 | 173.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 301 | T | 27.7 | Very low | 30 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | cis | -149.2 | 164 | 0.7 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 302 | L | 32.2 | Very low | 30.2 | Very low | 175 Ų | 175 | 145.9 Ų | 145.9 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | 62.1 | 131.7 | 164.5 | -54.9 | 167.2 | 0 | 0 | 0 | 116.8 | ||||
| 303 | G | 27.3 | Very low | 31.3 | Very low | 81 Ų | 81 | 140.1 Ų | 140.1 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | cis | -171.6 | 173.4 | -5.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 304 | R | 25.6 | Very low | 31.8 | Very low | 246 Ų | 246 | 140 Ų | 140 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | cis | -147.6 | 152.1 | 14.4 | -179.5 | 174.1 | -177.3 | -161 | -0.8 | 107.7 | ||||
| 305 | P | 34.2 | Very low | 32.4 | Very low | 95 Ų | 95 | 138.2 Ų | 138.2 | 62% | 0.617 | 79% | 0.786 | S | S | * | * | trans | -94 | 161.7 | -149 | 35.8 | -38.1 | 0 | 0 | 0 | 116.6 | ||||
| 306 | H | 31.6 | Very low | 33.9 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | trans | -90.8 | 140.3 | 147.2 | -123.6 | 53.8 | 0 | 0 | 0 | 108.7 | ||||
| 307 | H | 34.5 | Very low | 34 | Very low | 136 Ų | 136 | 136 Ų | 136 | 63% | 0.63 | 79% | 0.785 | S | S | * | * | trans | -143.2 | 125.9 | -179.1 | -106.9 | 22.1 | 0 | 0 | 0 | 111.2 | ||||
| 308 | H | 30.7 | Very low | 34.3 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 68% | 0.676 | 79% | 0.788 | S | S | * | * | trans | 64.9 | 148.2 | 136.1 | -64.1 | -22.2 | 0 | 0 | 0 | 119.2 | ||||
| 309 | Q | 27.6 | Very low | 34.6 | Very low | 166 Ų | 166 | 130 Ų | 130 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | cis | -167 | 161 | -11.2 | 173 | 169.4 | 29.8 | 0 | 0 | 107.7 | ||||
| 310 | A | 38.6 | Very low | 34.9 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -69.8 | 153 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 311 | P | 34.9 | Very low | 35.3 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | -144.5 | -178 | 119.7 | 38.5 | -23.8 | 0 | 0 | 0 | 115.5 | |||||
| 312 | L | 30.9 | Very low | 35.6 | Very low | 166 Ų | 166 | 137 Ų | 137 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | -91.9 | 168.2 | -178.8 | -80.4 | 165 | 0 | 0 | 0 | 113.4 | ||||
| 313 | P | 52.9 | Low | 35.6 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -93.7 | 164.8 | -169 | 37.9 | -37.9 | 0 | 0 | 0 | 115.5 | ||||
| 314 | P | 40.8 | Very low | 35.9 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | -147.1 | -161.8 | 123.9 | 38.6 | -19.1 | 0 | 0 | 0 | 112.8 | |||||
| 315 | P | 43.4 | Very low | 36.4 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | -125 | -132.8 | -76 | 46.2 | -29.1 | 0 | 0 | 0 | 113.4 | |||||
| 316 | P | 60.4 | Low | 36.3 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -128.1 | 176.8 | -141.5 | 40.7 | -19.2 | 0 | 0 | 0 | 118.5 | ||||
| 317 | A | 33.9 | Very low | 36.4 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | 164.7 | 144.4 | 139.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 318 | E | 34.1 | Very low | 38 | Very low | 194 Ų | 194 | 128.3 Ų | 128.3 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | 47.1 | 156.1 | 135.3 | -66.7 | 174.3 | -178.1 | 0 | 0 | 123.2 | ||||
| 319 | A | 33.9 | Very low | 38.8 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | cis | -169.6 | -165.6 | -15 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 320 | M | 31.2 | Very low | 39.4 | Very low | 181 Ų | 181 | 128 Ų | 128 | 89% | 0.892 | 80% | 0.802 | S | S | * | * | trans | 72.6 | 138.8 | 178.2 | -89 | 115.7 | 68.1 | 0 | 0 | 118.7 | ||||
| 321 | N | 35.5 | Very low | 39 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | cis | 77.6 | 134 | 5 | -165.1 | 72.3 | 0 | 0 | 0 | 119 | ||||
| 322 | G | 32.4 | Very low | 39 | Very low | 68 Ų | 68 | 134.5 Ų | 134.5 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | cis | 162.3 | 156.7 | -8.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 323 | G | 33.1 | Very low | 39.2 | Very low | 82 Ų | 82 | 131.8 Ų | 131.8 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 153.3 | 168.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 324 | S | 33.6 | Very low | 38.3 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | cis | -174.6 | 174.7 | -0.9 | 71.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 325 | M | 36.6 | Very low | 38 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 80% | 0.803 | 80% | 0.801 | S | S | * | * | cis | -170.1 | 154 | -9.4 | -123.8 | -64.4 | -137.8 | 0 | 0 | 112.7 | ||||
| 326 | S | 32.1 | Very low | 37.5 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | 70.7 | 162.2 | 148.3 | 62.2 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 327 | L | 33 | Very low | 36.5 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -141.3 | -175.6 | -172.5 | -79 | 169.7 | 0 | 0 | 0 | 109.1 | ||||
| 328 | P | 67.5 | Low | 36.9 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | cis | -122.4 | -157.9 | -38.9 | 34.9 | -13.8 | 0 | 0 | 0 | 110.9 | ||||
| 329 | P | 48.2 | Very low | 37 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | -145.1 | -163.7 | 83.4 | 39 | -19.1 | 0 | 0 | 0 | 114.8 | |||||
| 330 | M | 41.3 | Very low | 37.4 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 86% | 0.862 | 80% | 0.803 | S | S | * | * | trans | -130.7 | 153.1 | -167 | -116.4 | -82.1 | -170.3 | 0 | 0 | 112.3 | ||||
| 331 | D | 30.3 | Very low | 38.3 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -154.2 | 172.4 | 160.4 | -143.3 | -33.5 | 0 | 0 | 0 | 111.4 | ||||
| 332 | Y | 33.4 | Very low | 39.2 | Very low | 203 Ų | 203 | 131.2 Ų | 131.2 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -128.2 | 169.1 | -143.9 | -153.9 | -98.1 | 0 | 0 | 0 | 117 | ||||
| 333 | S | 36 | Very low | 40.5 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | 89.5 | 126.7 | 177 | -37.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 334 | M | 34.4 | Very low | 41.8 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | cis | 102.4 | 99.2 | 17.2 | -173.9 | 59.6 | -177 | 0 | 0 | 115 | ||||
| 335 | D | 34.1 | Very low | 43 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | -176.5 | 139.3 | 123.2 | -104.4 | -33.8 | 0 | 0 | 0 | 110.8 | |||||
| 336 | G | 32.9 | Very low | 44.3 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 152.3 | 107.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 337 | Y | 38.6 | Very low | 45.4 | Very low | 242 Ų | 242 | 134 Ų | 134 | 95% | 0.949 | 79% | 0.788 | S | S | * | * | trans | -60.3 | 146.2 | -174 | -85.3 | -102.9 | 0 | 0 | 0 | 115.4 | ||||
| 338 | A | 42.7 | Very low | 46.5 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -98.2 | 151.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 339 | N | 36.7 | Very low | 45.7 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -161.2 | 161.5 | 140.9 | -119.1 | -75.7 | 0 | 0 | 0 | 114.9 | ||||
| 340 | T | 43.1 | Very low | 45.6 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -13.8 | 133.2 | 174 | 51.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 341 | G | 49.3 | Very low | 45.5 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 169.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 342 | P | 53.2 | Low | 46 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 153.2 | -169.7 | 30.1 | -36 | 0 | 0 | 0 | 114.7 | ||
| 343 | P | 61.6 | Low | 46.1 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 162.8 | -178.9 | 33.5 | -36.9 | 0 | 0 | 0 | 113.9 | ||
| 344 | P | 60.4 | Low | 46.1 | Very low | 117 Ų | 117 | 122.9 Ų | 122.9 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 157.8 | 173.9 | 30.3 | -36.3 | 0 | 0 | 0 | 113.1 | ||
| 345 | P | 57.7 | Low | 46.2 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 152.2 | -176.9 | 30 | -36 | 0 | 0 | 0 | 113.6 | ||
| 346 | P | 64.9 | Low | 46.4 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 158.3 | -178.8 | 32.9 | -36.3 | 0 | 0 | 0 | 113.6 | ||
| 347 | P | 55.4 | Low | 46.3 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 153.3 | 173.6 | 31 | -35.5 | 0 | 0 | 0 | 112.7 | ||
| 348 | A | 55.7 | Low | 45.9 | Very low | 91 Ų | 91 | 121.4 Ų | 121.4 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 147.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 349 | P | 50.5 | Low | 45.3 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 144.4 | -177.5 | 31.8 | -35.5 | 0 | 0 | 0 | 113.2 | ||
| 350 | V | 46.6 | Very low | 45.2 | Very low | 137 Ų | 137 | 119.7 Ų | 119.7 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 133.1 | 168 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | P352 | V350-P352 WeakPolarHBondContact O-CD 3.49Š|
| 351 | I | 37.8 | Very low | 46.3 | Very low | 148 Ų | 148 | 119.6 Ų | 119.6 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -105.4 | 109.6 | 178 | -58.4 | 175.6 | 0 | 0 | 0 | 109.9 | ||||
| 352 | P | 41.3 | Very low | 46.5 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | trans | -93.1 | 141.8 | 166.5 | 34.7 | -30.6 | 0 | 0 | 0 | 111.2 | V350 | V350-P352 WeakPolarHBondContact O-CD 3.49Š| ||
| 353 | S | 36 | Very low | 45.3 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -141.8 | 137.9 | 163.4 | -77.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 354 | A | 34.7 | Very low | 43.8 | Very low | 89 Ų | 89 | 118.2 Ų | 118.2 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -138.6 | 164.5 | -164.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 355 | Q | 37.7 | Very low | 43.3 | Very low | 179 Ų | 179 | 118.3 Ų | 118.3 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -165.3 | 114.8 | 146 | -111.8 | 158.3 | 99.1 | 0 | 0 | 112.4 | ||||
| 356 | T | 38.3 | Very low | 42.2 | Very low | 131 Ų | 131 | 121 Ų | 121 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 57 | 146.9 | 139.2 | 19.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 357 | A | 29.6 | Very low | 41 | Very low | 73 Ų | 73 | 120.5 Ų | 120.5 | 60% | 0.603 | 78% | 0.784 | S | S | * | * | cis | -154.6 | 169.2 | 12.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 358 | F | 31.1 | Very low | 40.6 | Very low | 202 Ų | 202 | 121 Ų | 121 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | trans | 75.8 | 104.4 | 157 | -73.5 | -69.9 | 0 | 0 | 0 | 122.7 | ||||
| 359 | A | 30 | Very low | 39.6 | Very low | 92 Ų | 92 | 120.1 Ų | 120.1 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | 86.5 | 146.6 | 127.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 360 | S | 33.7 | Very low | 40.2 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -166.5 | -173.4 | -178.2 | -35.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 361 | P | 65.8 | Low | 39.6 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | cis | -119.8 | -131.1 | -36.1 | 31.3 | -8.3 | 0 | 0 | 0 | 106.6 | ||||
| 362 | P | 53.7 | Low | 39.4 | Very low | 124 Ų | 124 | 119.6 Ų | 119.6 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | cis | -131.9 | 176 | -26.1 | 39.3 | -22.2 | 0 | 0 | 0 | 115.5 | ||||
| 363 | G | 29.9 | Very low | 39.1 | Very low | 80 Ų | 80 | 120.8 Ų | 120.8 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | 156.2 | 117.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 364 | G | 28.3 | Very low | 38.9 | Very low | 73 Ų | 73 | 123 Ų | 123 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -110.5 | -149.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 365 | P | 50.8 | Low | 38.8 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | cis | -145.6 | -169.5 | 3.1 | 32.9 | -7.5 | 0 | 0 | 0 | 116.2 | ||||
| 366 | M | 34.4 | Very low | 38.6 | Very low | 176 Ų | 176 | 121.8 Ų | 121.8 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | 90.4 | 145.5 | 154 | -42.3 | -150.9 | 80.5 | 0 | 0 | 121.5 | ||||
| 367 | S | 39.1 | Very low | 38.2 | Very low | 108 Ų | 108 | 118.7 Ų | 118.7 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -120.9 | 171.4 | 161.4 | -46.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 368 | P | 48.1 | Very low | 38.5 | Very low | 134 Ų | 134 | 118.8 Ų | 118.8 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | -156.8 | 167.3 | 101.4 | 39.6 | -22.1 | 0 | 0 | 0 | 117.3 | |||||
| 369 | G | 34.2 | Very low | 38.6 | Very low | 74 Ų | 74 | 120.3 Ų | 120.3 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 107.5 | 127.1 | 139.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 370 | P | 64 | Low | 39.3 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -115.8 | 170.5 | 173.1 | 41 | -32.3 | 0 | 0 | 0 | 114.1 | ||||
| 371 | M | 34.2 | Very low | 40 | Very low | 184 Ų | 184 | 120.8 Ų | 120.8 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -162.1 | 145.1 | 152.3 | -111 | -46.5 | -144.4 | 0 | 0 | 117.1 | ||||
| 372 | A | 32.4 | Very low | 39.4 | Very low | 81 Ų | 81 | 120.6 Ų | 120.6 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | 43.7 | 109.8 | 146.4 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 373 | V | 34.4 | Very low | 39.4 | Very low | 137 Ų | 137 | 120.2 Ų | 120.2 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -16.6 | 134.7 | 137.4 | -179.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 374 | I | 33 | Very low | 40.5 | Very low | 169 Ų | 169 | 121.8 Ų | 121.8 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -140 | 152.6 | 138.7 | -70.5 | -167.5 | 0 | 0 | 0 | 108.9 | ||||
| 375 | S | 33 | Very low | 41.5 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -118.4 | 148.4 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 376 | V | 32.2 | Very low | 41.2 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | 173.2 | 146.8 | 143.9 | 142 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 377 | G | 31.1 | Very low | 41.3 | Very low | 65 Ų | 65 | 124.5 Ų | 124.5 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | 87.8 | 102.6 | 141.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 378 | G | 34.5 | Very low | 41 | Very low | 76 Ų | 76 | 122.9 Ų | 122.9 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -91.8 | 150.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 379 | Y | 34.2 | Very low | 40.8 | Very low | 234 Ų | 234 | 121.1 Ų | 121.1 | 92% | 0.918 | 80% | 0.798 | S | S | * | * | trans | -134.7 | 135.3 | 168.3 | -82.1 | -84.5 | 0 | 0 | 0 | 110.3 | ||||
| 380 | A | 44.1 | Very low | 41 | Very low | 91 Ų | 91 | 126.5 Ų | 126.5 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 149.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 381 | P | 48.1 | Very low | 39.9 | Very low | 120 Ų | 120 | 127 Ų | 127 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 147.6 | 175.5 | 30.1 | -34.8 | 0 | 0 | 0 | 111.7 | ||
| 382 | P | 53.6 | Low | 40.3 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76 | 155.7 | 179.6 | 32 | -35.9 | 0 | 0 | 0 | 112.7 | ||
| 383 | P | 53.6 | Low | 41.3 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 152.2 | 174.3 | 32.4 | -35.4 | 0 | 0 | 0 | 112.3 | ||
| 384 | P | 54.2 | Low | 42.5 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 150.3 | 173 | 31.8 | -34.9 | 0 | 0 | 0 | 111.9 | ||
| 385 | P | 49.2 | Very low | 44.1 | Very low | 129 Ų | 129 | 120.4 Ų | 120.4 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 142.8 | 179.5 | 31.3 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 386 | L | 44.4 | Very low | 45.3 | Very low | 164 Ų | 164 | 121.7 Ų | 121.7 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 124.1 | 162.3 | -79.9 | 78.7 | 0 | 0 | 0 | 110 | ||
| 387 | S | 35.2 | Very low | 46.5 | Very low | 132 Ų | 132 | 118.1 Ų | 118.1 | 92% | 0.923 | 79% | 0.786 | S | S | * | * | trans | 179.7 | 157 | 145.2 | -87 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 388 | G | 33.8 | Very low | 48.2 | Very low | 74 Ų | 74 | 121 Ų | 121 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | 108.4 | 98.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 389 | A | 43.5 | Very low | 49.5 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -72.8 | 135.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 390 | Q | 38.2 | Very low | 50.8 | Low | 187 Ų | 187 | 115.5 Ų | 115.5 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -133.6 | 153.1 | 168.3 | -75.7 | -62.8 | -75.8 | 0 | 0 | 110.1 | ||||
| 391 | V | 40.2 | Very low | 51.7 | Low | 139 Ų | 139 | 117.1 Ų | 117.1 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -82 | 138.7 | -163.1 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 392 | A | 44 | Very low | 52.5 | Low | 84 Ų | 84 | 116.8 Ų | 116.8 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 136.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 393 | P | 52.3 | Low | 53 | Low | 116 Ų | 116 | 116.9 Ų | 116.9 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 149.4 | 174.5 | 29.8 | -34.7 | 0 | 0 | 0 | 111.3 | ||
| 394 | P | 60.7 | Low | 53.4 | Low | 115 Ų | 115 | 116.9 Ų | 116.9 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 150.9 | 178.9 | 29.2 | -35.2 | 0 | 0 | 0 | 112.1 | ||
| 395 | P | 66.2 | Low | 53.3 | Low | 117 Ų | 117 | 117.7 Ų | 117.7 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 151.3 | 179.9 | 29.4 | -35.4 | 0 | 0 | 0 | 112.3 | ||
| 396 | P | 58.2 | Low | 53.5 | Low | 128 Ų | 128 | 118 Ų | 118 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 141 | 172.3 | -22.3 | 33.7 | 0 | 0 | 0 | 112.5 | ||
| 397 | G | 58.1 | Low | 53.5 | Low | 66 Ų | 66 | 116.3 Ų | 116.3 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 158.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 398 | P | 66.3 | Low | 53.5 | Low | 125 Ų | 125 | 115.3 Ų | 115.3 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 148.4 | -179.6 | 28.7 | -35.3 | 0 | 0 | 0 | 112.2 | ||
| 399 | P | 60.5 | Low | 53.4 | Low | 129 Ų | 129 | 115.7 Ų | 115.7 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 143.5 | 176.3 | 28.9 | -34.8 | 0 | 0 | 0 | 111.7 | ||
| 400 | G | 62.7 | Low | 52.8 | Low | 66 Ų | 66 | 115.5 Ų | 115.5 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 157.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 401 | P | 62.9 | Low | 52.5 | Low | 125 Ų | 125 | 111.1 Ų | 111.1 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 148.2 | -177.7 | 29.7 | -35.5 | 0 | 0 | 0 | 112.6 | ||
| 402 | P | 64.4 | Low | 52.1 | Low | 114 Ų | 114 | 112.8 Ų | 112.8 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 152.5 | 175.7 | 31.3 | -35.4 | 0 | 0 | 0 | 112.2 | ||
| 403 | P | 64.5 | Low | 51.5 | Low | 119 Ų | 119 | 113.6 Ų | 113.6 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 152.9 | 175.8 | 30.1 | -35.3 | 0 | 0 | 0 | 112.5 | ||
| 404 | P | 61.5 | Low | 50.5 | Low | 117 Ų | 117 | 114.6 Ų | 114.6 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 153.1 | -177.6 | 31.2 | -36 | 0 | 0 | 0 | 113.2 | ||
| 405 | P | 52.7 | Low | 49 | Very low | 128 Ų | 128 | 114.1 Ų | 114.1 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 148.8 | 177.2 | 32.8 | -35.2 | 0 | 0 | 0 | 112.6 | ||
| 406 | V | 53.2 | Low | 47.4 | Very low | 136 Ų | 136 | 119.2 Ų | 119.2 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -104.4 | 145.2 | 170.5 | -70.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 407 | P | 44.6 | Very low | 46.3 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -81.9 | 169.6 | -172 | 33.4 | -36.7 | 0 | 0 | 0 | 114.2 | ||||
| 408 | A | 35.6 | Very low | 45.1 | Very low | 111 Ų | 111 | 128 Ų | 128 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -77.7 | 154.1 | -171 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 409 | G | 30.3 | Very low | 43.4 | Very low | 81 Ų | 81 | 127.3 Ų | 127.3 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -157.9 | 135.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 410 | A | 31.1 | Very low | 41.9 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -108.8 | 155.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 411 | S | 31.9 | Very low | 40.5 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | 159.6 | 163.1 | 119.9 | -70.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 412 | H | 33.1 | Very low | 39 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | trans | 69.8 | 125.3 | 167.4 | -54.1 | -63.2 | 0 | 0 | 0 | 117.6 | ||||
| 413 | S | 30.6 | Very low | 37.5 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | cis | 105.3 | 101.4 | 17.3 | 78.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 414 | T | 32.1 | Very low | 36 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | trans | -139.8 | 157.4 | 157.3 | 39.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 415 | S | 29.5 | Very low | 34.7 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | trans | -143.1 | 146.1 | -165.4 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 416 | Y | 32.8 | Very low | 33.9 | Very low | 225 Ų | 225 | 137 Ų | 137 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -138.2 | 148.4 | 170.1 | -64.4 | -74.2 | 0 | 0 | 0 | 110.7 | ||||
| 417 | K | 34.2 | Very low | 33 | Very low | 197 Ų | 197 | 134.5 Ų | 134.5 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | -102.1 | 146.3 | -177.4 | -55.4 | 170.8 | -177.2 | 174.2 | 0 | 108.4 | ||||
| 418 | M | 32.9 | Very low | 33 | Very low | 181 Ų | 181 | 133.6 Ų | 133.6 | 89% | 0.892 | 83% | 0.827 | S | S | * | * | 172.8 | 168.8 | 80.7 | -98.1 | -167 | 177.6 | 0 | 0 | 108 | |||||
| 419 | S | 31.3 | Very low | 33.5 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | cis | -133.1 | -143.1 | -7.2 | 52.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 420 | S | 28.9 | Very low | 34.6 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | cis | -148 | 175.3 | -2.4 | -170 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 421 | A | 32.7 | Very low | 36.1 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -122.2 | 146.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 422 | A | 31.2 | Very low | 37.9 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -140.9 | 147.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 423 | K | 33.5 | Very low | 39.5 | Very low | 215 Ų | 215 | 140.1 Ų | 140.1 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | trans | -86.7 | 148.2 | -178.9 | -67.6 | 179.2 | 179.3 | 177.2 | 0 | 111.3 | ||||
| 424 | A | 33.2 | Very low | 41.6 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -122.7 | 149 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 425 | E | 33.5 | Very low | 43.3 | Very low | 194 Ų | 194 | 137.5 Ų | 137.5 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -98.3 | 142.1 | -171.7 | -166.1 | 162.6 | -154.4 | 0 | 0 | 111 | A427 | E425-A427 PolarHBondContact O-N 3.5Š| ||
| 426 | N | 35.2 | Very low | 45.6 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | -87.4 | 110.4 | -170.8 | -92.4 | -40.8 | 0 | 0 | 0 | 112.3 | ||||
| 427 | A | 34.5 | Very low | 47.6 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -135.5 | 126.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E425 V429 | E425-A427 PolarHBondContact O-N 3.5Å; A427-V429 PolarHBondContact O-N 2.9Å | ||
| 428 | A | 45.8 | Very low | 49.3 | Very low | 110 Ų | 110 | 123 Ų | 123 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | trans | 46.9 | 57.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 429 | V | 45.9 | Very low | 51.1 | Low | 131 Ų | 131 | 116.4 Ų | 116.4 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | trans | -120.8 | 58.6 | 166.5 | -164.3 | 0 | 0 | 0 | 0 | 111.7 | A427 | A427-V429 PolarHBondContact O-N 2.9Š| ||
| 430 | N | 53.3 | Low | 52.9 | Low | 144 Ų | 144 | 116.4 Ų | 116.4 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | trans | -112.6 | -11 | -177.7 | -102.7 | -13.7 | 0 | 0 | 0 | 115.3 | S434 | N430-S434 WeakPolarHBondContact O-CB 3.4Š| ||
| 431 | D | 61.7 | Low | 54.9 | Low | 142 Ų | 142 | 119.2 Ų | 119.2 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -82.8 | -74.1 | -170.7 | -145 | 34.3 | 0 | 0 | 0 | 111.7 | R433 S434 D435 | D431-R433 PolarHBondContact O-N 3.32Å; D431-S434 WeakPolarHBondContact O-CA 3.47Å; D431-S434 WeakPolarHBondContact O-CB 3.47Å; D431-S434 PolarHBondContact O-N 3.32Å; D431-D435 PolarHBondContact O-N 3.18Å |
| 432 | A | 69.6 | Low | 56.4 | Low | 82 Ų | 82 | 122.2 Ų | 122.2 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -55.2 | -29.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L436 | A432-L436 WeakPolarHBondContact O-CB 3.29Å; A432-L436 PolarHBondContact O-N 3.31Å |
| 433 | R | 67.5 | Low | 57.3 | Low | 193 Ų | 193 | 119.7 Ų | 119.7 | 73% | 0.728 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -79.2 | -34.1 | 176.1 | -171.2 | 176.8 | -179.2 | -175.1 | 0.5 | 112.5 | D431 L437 | D431-R433 PolarHBondContact O-N 3.32Å; R433-L437 HydrophobicContact CG-CD1 4.43Å; R433-L437 VanDerWaalsContact O-CG 3.3Å; R433-L437 WeakPolarHBondContact O-CG 3.35Å; R433-L437 PolarHBondContact O-N 3.47Å |
| 434 | S | 73.7 | Confident | 58.3 | Low | 66 Ų | 66 | 115.8 Ų | 115.8 | 46% | 0.462 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -66.2 | -44.7 | 172.1 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | N430 D431 L437 A438 | N430-S434 WeakPolarHBondContact O-CB 3.4Å; D431-S434 WeakPolarHBondContact O-CA 3.47Å; D431-S434 WeakPolarHBondContact O-CB 3.47Å; D431-S434 PolarHBondContact O-N 3.32Å; S434-L437 CarbonylContact O-C 3.54Å; S434-L437 PolarHBondContact O-N 2.85Å; S434-A438 PolarHBondContact O-N 3.25Å |
| 435 | D | 69.2 | Low | 59.4 | Low | 117 Ų | 117 | 119.9 Ų | 119.9 | 63% | 0.626 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -65.5 | -43.1 | -178.5 | -143.1 | 35.8 | 0 | 0 | 0 | 112.1 | D431 L437 A438 A439 | D431-D435 PolarHBondContact O-N 3.18Å; D435-L437 VanDerWaalsContact C-N 3.34Å; D435-L437 PolarHBondContact O-N 2.87Å; D435-A438 WeakPolarHBondContact O-CB 3.3Å; D435-A438 PolarHBondContact O-N 3.01Å; D435-A438 VanDerWaalsContact O-N 3.14Å; D435-A439 WeakPolarHBondContact O-CB 3.34Å; D435-A439 PolarHBondContact O-N 3.46Å |
| 436 | L | 76.3 | Confident | 59.9 | Low | 108 Ų | 108 | 118.4 Ų | 118.4 | 57% | 0.565 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -58.9 | -43.1 | 171.3 | 178.2 | 61 | 0 | 0 | 0 | 112.2 | A432 A438 A439 I440 | A432-L436 WeakPolarHBondContact O-CB 3.29Å; A432-L436 PolarHBondContact O-N 3.31Å; L436-A438 VanDerWaalsContact C-N 3.33Å; L436-A439 PolarHBondContact O-N 3.47Å; L436-I440 HydrophobicContact CD1-CD1 4.1Å; L436-I440 HydrophobicContact CD1-CG1 4.46Å; L436-I440 HydrophobicContact CG-CD1 4.02Å; L436-I440 WeakPolarHBondContact O-CD1 3.44Å; L436-I440 VanDerWaalsContact O-CG1 3.25Å; L436-I440 WeakPolarHBondContact O-CG1 3.48Å; L436-I440 PolarHBondContact O-N 3.28Å |
| 437 | L | 74.9 | Confident | 60.9 | Low | 80 Ų | 80 | 118.7 Ų | 118.7 | 42% | 0.419 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -71.2 | -28.7 | 176.9 | -69.4 | 170.6 | 0 | 0 | 0 | 112.1 | R433 S434 D435 R441 | R433-L437 HydrophobicContact CG-CD1 4.43Å; R433-L437 VanDerWaalsContact O-CG 3.3Å; R433-L437 WeakPolarHBondContact O-CG 3.35Å; R433-L437 PolarHBondContact O-N 3.47Å; S434-L437 CarbonylContact O-C 3.54Å; S434-L437 PolarHBondContact O-N 2.85Å; D435-L437 VanDerWaalsContact C-N 3.34Å; D435-L437 PolarHBondContact O-N 2.87Å; L437-R441 WeakPolarHBondContact O-CB 3.43Å; L437-R441 WeakPolarHBondContact O-CG 3.3Å; L437-R441 PolarHBondContact O-N 3.39Å; L437-R441 VanDerWaalsContact O-N 3.16Å; L437-R441 PolarHBondContact O-NE 2.94Å; L437-R441 PolarHBondContact O-NH2 3.22Å |
| 438 | A | 71.1 | Confident | 61.8 | Low | 35 Ų | 35 | 123 Ų | 123 | 29% | 0.289 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -68.2 | -47.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S434 D435 L436 I440 R441 M442 | S434-A438 PolarHBondContact O-N 3.25Å; D435-A438 WeakPolarHBondContact O-CB 3.3Å; D435-A438 PolarHBondContact O-N 3.01Å; D435-A438 VanDerWaalsContact O-N 3.14Å; L436-A438 VanDerWaalsContact C-N 3.33Å; A438-I440 VanDerWaalsContact C-N 3.34Å; A438-I440 PolarHBondContact O-N 3.34Å; A438-R441 CarbonylContact O-C 3.56Å; A438-R441 PolarHBondContact O-N 3.37Å; A438-M442 WeakPolarHBondContact O-CG 3.26Å; A438-M442 PolarHBondContact O-N 3.45Å |
| 439 | A | 70.1 | Confident | 62 | Low | 42 Ų | 42 | 123.3 Ų | 123.3 | 35% | 0.347 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -59.5 | -40.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D435 L436 R441 M442 G443 | D435-A439 WeakPolarHBondContact O-CB 3.34Å; D435-A439 PolarHBondContact O-N 3.46Å; L436-A439 PolarHBondContact O-N 3.47Å; A439-R441 VanDerWaalsContact C-N 3.35Å; A439-M442 PolarHBondContact O-N 3.01Å; A439-G443 PolarHBondContact O-N 2.89Å |
| 440 | I | 69.8 | Low | 62.2 | Low | 111 Ų | 111 | 123.6 Ų | 123.6 | 57% | 0.569 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.6 | -38.7 | 173.6 | -70.4 | 165 | 0 | 0 | 0 | 111.6 | L436 A438 | L436-I440 HydrophobicContact CD1-CD1 4.1Å; L436-I440 HydrophobicContact CD1-CG1 4.46Å; L436-I440 HydrophobicContact CG-CD1 4.02Å; L436-I440 WeakPolarHBondContact O-CD1 3.44Å; L436-I440 VanDerWaalsContact O-CG1 3.25Å; L436-I440 WeakPolarHBondContact O-CG1 3.48Å; L436-I440 PolarHBondContact O-N 3.28Å; A438-I440 VanDerWaalsContact C-N 3.34Å; A438-I440 PolarHBondContact O-N 3.34Å |
| 441 | R | 69.6 | Low | 62.2 | Low | 176 Ų | 176 | 122.5 Ų | 122.5 | 66% | 0.664 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75 | -26 | 177.2 | -76.7 | 173.7 | -70 | -156 | 2.7 | 113.9 | L437 A438 A439 | L437-R441 WeakPolarHBondContact O-CB 3.43Å; L437-R441 WeakPolarHBondContact O-CG 3.3Å; L437-R441 PolarHBondContact O-N 3.39Å; L437-R441 VanDerWaalsContact O-N 3.16Å; L437-R441 PolarHBondContact O-NE 2.94Å; L437-R441 PolarHBondContact O-NH2 3.22Å; A438-R441 CarbonylContact O-C 3.56Å; A438-R441 PolarHBondContact O-N 3.37Å; A439-R441 VanDerWaalsContact C-N 3.35Å |
| 442 | M | 64.3 | Low | 61.4 | Low | 162 Ų | 162 | 122.5 Ų | 122.5 | 80% | 0.798 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -84.1 | -26.9 | 176.4 | -68.9 | -75.2 | 92.7 | 0 | 0 | 113.2 | A438 A439 | A438-M442 WeakPolarHBondContact O-CG 3.26Å; A438-M442 PolarHBondContact O-N 3.45Å; A439-M442 PolarHBondContact O-N 3.01Å |
| 443 | G | 50.1 | Low | 60.7 | Low | 49 Ų | 49 | 125 Ų | 125 | 51% | 0.505 | 62% | 0.624 | S | S | . | * | trans | 81.2 | 122.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A439 Q445 | A439-G443 PolarHBondContact O-N 2.89Å; G443-Q445 PolarHBondContact O-N 3.13Å | ||
| 444 | I | 56.2 | Low | 60.2 | Low | 133 Ų | 133 | 120.8 Ų | 120.8 | 68% | 0.682 | 61% | 0.613 | S | S | * | * | trans | -81.1 | 106.3 | -177.5 | -58.1 | 175.3 | 0 | 0 | 0 | 109.9 | L446 | I444-L446 HydrophobicContact CG2-CD2 4.29Å; I444-L446 PolarHBondContact O-N 2.91Å | ||
| 445 | Q | 55.2 | Low | 59 | Low | 188 Ų | 188 | 123.7 Ų | 123.7 | 88% | 0.879 | 62% | 0.62 | S | S | * | * | trans | -70.6 | 113.2 | 162.1 | -69.6 | -166.5 | 9 | 0 | 0 | 109.6 | G443 K447 | G443-Q445 PolarHBondContact O-N 3.13Å; Q445-K447 PolarHBondContact O-N 3.28Å | ||
| 446 | L | 45 | Very low | 58.1 | Low | 162 Ų | 162 | 124.8 Ų | 124.8 | 85% | 0.848 | 62% | 0.621 | S | S | * | * | trans | -69.6 | 97.2 | -179.7 | -67.5 | 171.9 | 0 | 0 | 0 | 111.2 | I444 | I444-L446 HydrophobicContact CG2-CD2 4.29Å; I444-L446 PolarHBondContact O-N 2.91Å | ||
| 447 | K | 56 | Low | 57 | Low | 180 Ų | 180 | 122.9 Ų | 122.9 | 78% | 0.783 | 62% | 0.62 | S | S | * | * | trans | -60.5 | 136.4 | 163.8 | -108.9 | -171.5 | 174.7 | -168.2 | 0 | 109.6 | Q445 V449 | Q445-K447 PolarHBondContact O-N 3.28Å; K447-V449 PolarHBondContact O-N 3.25Å | ||
| 448 | K | 53.2 | Low | 55.8 | Low | 171 Ų | 171 | 127.5 Ų | 127.5 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | trans | -56.4 | 123.3 | -177.4 | -91 | -177 | 171.7 | -178.2 | 0 | 111.8 | Q450 | K448-Q450 PolarHBondContact O-N 2.93Š| ||
| 449 | V | 49.2 | Very low | 54.7 | Low | 118 Ų | 118 | 136.7 Ų | 136.7 | 72% | 0.715 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -22.6 | 178.4 | 178.5 | 0 | 0 | 0 | 0 | 113.7 | K447 E451 Q452 | K447-V449 PolarHBondContact O-N 3.25Å; V449-E451 VanDerWaalsContact C-N 3.26Å; V449-E451 PolarHBondContact O-N 3.24Å; V449-E451 VanDerWaalsContact O-N 3.15Å; V449-Q452 PolarHBondContact O-N 2.77Å; V449-Q452 VanDerWaalsContact O-N 3.15Å |
| 450 | Q | 51.3 | Low | 53.3 | Low | 136 Ų | 136 | 141.9 Ų | 141.9 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -54.8 | -32.5 | -175.3 | -161.3 | 166.3 | 7.6 | 0 | 0 | 114.5 | K448 E454 | K448-Q450 PolarHBondContact O-N 2.93Å; Q450-E454 PolarHBondContact O-N 2.89Å |
| 451 | E | 52.9 | Low | 52.4 | Low | 122 Ų | 122 | 142 Ų | 142 | 57% | 0.57 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -70.8 | -33.4 | -179.5 | -172.6 | 170.8 | -161.7 | 0 | 0 | 112.9 | V449 Q455 | V449-E451 VanDerWaalsContact C-N 3.26Å; V449-E451 PolarHBondContact O-N 3.24Å; V449-E451 VanDerWaalsContact O-N 3.15Å; E451-Q455 PolarHBondContact O-N 3.28Å |
| 452 | Q | 44.2 | Very low | 51.8 | Low | 141 Ų | 141 | 138 Ų | 138 | 66% | 0.659 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -76.4 | -32.8 | -178.7 | -162.3 | 171.4 | 51.8 | 0 | 0 | 111.8 | V449 Q455 Q456 | V449-Q452 PolarHBondContact O-N 2.77Å; V449-Q452 VanDerWaalsContact O-N 3.15Å; Q452-Q455 PolarHBondContact O-N 2.93Å; Q452-Q456 PolarHBondContact O-N 2.89Å |
| 453 | Q | 54.3 | Low | 51.4 | Low | 134 Ų | 134 | 131.9 Ų | 131.9 | 63% | 0.626 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.9 | -36.4 | 175.8 | -161.5 | 174.6 | 39.1 | 0 | 0 | 112 | Q455 Q456 A457 | Q453-Q455 VanDerWaalsContact C-N 3.32Å; Q453-Q455 PolarHBondContact O-N 3.44Å; Q453-Q456 PolarHBondContact O-N 3.48Å; Q453-A457 PolarHBondContact O-N 2.85Å |
| 454 | E | 57.5 | Low | 52.2 | Low | 105 Ų | 105 | 133.9 Ų | 133.9 | 49% | 0.491 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -67.3 | -31.2 | 174.9 | -174.5 | 166.6 | -159.4 | 0 | 0 | 112.7 | Q450 K458 | Q450-E454 PolarHBondContact O-N 2.89Å; E454-K458 PolarHBondContact O-N 2.99Å |
| 455 | Q | 48 | Very low | 53 | Low | 128 Ų | 128 | 131 Ų | 131 | 60% | 0.598 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.7 | -34.5 | 174.6 | -68.3 | -175.8 | 30.8 | 0 | 0 | 112.8 | E451 Q452 Q453 K458 | E451-Q455 PolarHBondContact O-N 3.28Å; Q452-Q455 PolarHBondContact O-N 2.93Å; Q453-Q455 VanDerWaalsContact C-N 3.32Å; Q453-Q455 PolarHBondContact O-N 3.44Å; Q455-K458 PolarHBondContact O-N 3.37Å |
| 456 | Q | 51.4 | Low | 53.7 | Low | 140 Ų | 140 | 125 Ų | 125 | 65% | 0.654 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.2 | -42.1 | 172.1 | -71.9 | -177.8 | -13.1 | 0 | 0 | 111.7 | Q452 Q453 K458 R459 E460 | Q452-Q456 PolarHBondContact O-N 2.89Å; Q453-Q456 PolarHBondContact O-N 3.48Å; Q456-K458 PolarHBondContact O-N 3.2Å; Q456-K458 VanDerWaalsContact O-N 3.1Å; Q456-R459 PolarHBondContact O-N 2.88Å; Q456-E460 PolarHBondContact O-N 3.22Å |
| 457 | A | 53.7 | Low | 55.1 | Low | 67 Ų | 67 | 118.1 Ų | 118.1 | 55% | 0.554 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -13.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q453 | Q453-A457 PolarHBondContact O-N 2.85Š|
| 458 | K | 49.8 | Very low | 56.1 | Low | 177 Ų | 177 | 111.7 Ų | 111.7 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -10.2 | 169.6 | -84.3 | -175.9 | 175.4 | 176.3 | 0 | 114.3 | E454 Q455 Q456 | E454-K458 PolarHBondContact O-N 2.99Å; Q455-K458 PolarHBondContact O-N 3.37Å; Q456-K458 PolarHBondContact O-N 3.2Å; Q456-K458 VanDerWaalsContact O-N 3.1Å |
| 459 | R | 46.9 | Very low | 57.3 | Low | 229 Ų | 229 | 107.7 Ų | 107.7 | 86% | 0.864 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | -10.3 | -173.5 | -130.9 | -177.5 | -171.9 | -166.4 | 2.1 | 113.7 | Q456 | Q456-R459 PolarHBondContact O-N 2.88Š|
| 460 | E | 41 | Very low | 58.7 | Low | 151 Ų | 151 | 103.9 Ų | 103.9 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -64.2 | 134.7 | 172.2 | -164.1 | 167.3 | -148.6 | 0 | 0 | 110 | Q456 | Q456-E460 PolarHBondContact O-N 3.22Š|
| 461 | P | 50 | Low | 59.8 | Low | 112 Ų | 112 | 99.9 Ų | 99.9 | 73% | 0.727 | 52% | 0.515 | S | S | * | . | trans | -61.5 | 164.2 | 172.9 | 27.8 | -35.5 | 0 | 0 | 0 | 110.6 | G463 | P461-G463 VanDerWaalsContact C-N 3.32Å; P461-G463 PolarHBondContact O-N 2.83Å | ||
| 462 | V | 58.5 | Low | 61 | Low | 93 Ų | 93 | 100.4 Ų | 100.4 | 56% | 0.564 | 51% | 0.511 | S | S | * | . | trans | -65.2 | 90.7 | -179.6 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | R472 | V462-R472 VanDerWaalsContact CG1-CZ 3.5Š| ||
| 463 | G | 55.6 | Low | 62.6 | Low | 33 Ų | 33 | 102 Ų | 102 | 34% | 0.34 | 51% | 0.511 | S | S | . | . | trans | -70.1 | 130.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | P461 D465 T468 | P461-G463 VanDerWaalsContact C-N 3.32Å; P461-G463 PolarHBondContact O-N 2.83Å; G463-D465 PolarHBondContact O-N 3.04Å; G463-T468 WeakPolarHBondContact O-CG2 3.23Å | ||
| 464 | N | 65.6 | Low | 63.4 | Low | 91 Ų | 91 | 96.9 Ų | 96.9 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | trans | -77.7 | 35.4 | 169.9 | -72.7 | 1.2 | 0 | 0 | 0 | 111.8 | Q107 | Q107-N464 VanDerWaalsContact CD-ND2 3.34Å; Q107-N464 PolarHBondContact NE2-ND2 3.43Å; Q107-N464 VanDerWaalsContact NE2-ND2 3.18Å; Q107-N464 PolarHBondContact OE1-ND2 3.1Å | ||
| 465 | D | 74 | Confident | 64 | Low | 74 Ų | 74 | 94.5 Ų | 94.5 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | trans | -75.1 | 146.2 | 170.5 | 164 | 62.4 | 0 | 0 | 0 | 110.5 | G463 A467 T468 I469 | G463-D465 PolarHBondContact O-N 3.04Å; D465-A467 PolarHBondContact O-N 3.2Å; D465-A467 WeakPolarHBondContact OD2-CA 3.36Å; D465-A467 VanDerWaalsContact OD2-CB 3.28Å; D465-A467 WeakPolarHBondContact OD2-CB 3.46Å; D465-A467 PolarHBondContact OD2-N 2.9Å; D465-T468 WeakPolarHBondContact O-CB 3.34Å; D465-T468 PolarHBondContact O-N 3.4Å; D465-T468 PolarHBondContact OD2-N 3.36Å; D465-T468 VanDerWaalsContact OD2-N 3.11Å; D465-I469 VanDerWaalsContact O-CG1 3.31Å; D465-I469 WeakPolarHBondContact O-CG1 3.39Å; D465-I469 PolarHBondContact O-N 2.95Å | ||
| 466 | V | 70.1 | Confident | 65.2 | Low | 60 Ų | 60 | 93.4 Ų | 93.4 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.2 | -38.4 | -175.2 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | W161 T468 I469 L470 | W161-V466 HydrophobicContact CH2-CB 3.67Å; W161-V466 HydrophobicContact CH2-CG1 4.24Å; W161-V466 HydrophobicContact CH2-CG2 3.82Å; W161-V466 HydrophobicContact CZ3-CB 4.33Å; W161-V466 HydrophobicContact CZ3-CG1 4.44Å; W161-V466 HydrophobicContact CZ3-CG2 4.4Å; V466-T468 VanDerWaalsContact C-N 3.31Å; V466-T468 PolarHBondContact O-N 3.06Å; V466-I469 PolarHBondContact O-N 3.15Å; V466-L470 HydrophobicContact CG1-CD1 3.95Å; V466-L470 HydrophobicContact CG1-CG 4.28Å; V466-L470 WeakPolarHBondContact O-CB 3.46Å; V466-L470 WeakPolarHBondContact O-CG 3.5Å; V466-L470 PolarHBondContact O-N 3.48Å |
| 467 | A | 73.1 | Confident | 65.7 | Low | 18 Ų | 18 | 92.2 Ų | 92.2 | 15% | 0.149 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -68.3 | -33.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | M165 D465 S471 | M165-A467 HydrophobicContact CB-CB 4.37Å; M165-A467 HydrophobicContact CG-CB 4.3Å; M165-A467 HydrophobicContact SD-CB 3.85Å; D465-A467 PolarHBondContact O-N 3.2Å; D465-A467 WeakPolarHBondContact OD2-CA 3.36Å; D465-A467 VanDerWaalsContact OD2-CB 3.28Å; D465-A467 WeakPolarHBondContact OD2-CB 3.46Å; D465-A467 PolarHBondContact OD2-N 2.9Å; A467-S471 VanDerWaalsContact O-CB 3.23Å; A467-S471 WeakPolarHBondContact O-CB 3.48Å; A467-S471 PolarHBondContact O-N 2.88Å; A467-S471 PolarHBondContact O-OG 2.68Å |
| 468 | T | 78 | Confident | 65.7 | Low | 45 Ų | 45 | 94.4 Ų | 94.4 | 28% | 0.276 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 171.1 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | G463 D465 V466 R472 | G463-T468 WeakPolarHBondContact O-CG2 3.23Å; D465-T468 WeakPolarHBondContact O-CB 3.34Å; D465-T468 PolarHBondContact O-N 3.4Å; D465-T468 PolarHBondContact OD2-N 3.36Å; D465-T468 VanDerWaalsContact OD2-N 3.11Å; V466-T468 VanDerWaalsContact C-N 3.31Å; V466-T468 PolarHBondContact O-N 3.06Å; T468-R472 WeakPolarHBondContact O-CB 3.25Å; T468-R472 WeakPolarHBondContact O-CD 3.36Å; T468-R472 VanDerWaalsContact O-CG 3.25Å; T468-R472 WeakPolarHBondContact O-CG 3.34Å; T468-R472 PolarHBondContact O-N 3.46Å |
| 469 | I | 78.6 | Confident | 65.9 | Low | 87 Ų | 87 | 90.2 Ų | 90.2 | 45% | 0.446 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.1 | -44.9 | 176.8 | -68.2 | 163.1 | 0 | 0 | 0 | 111.1 | D465 V466 R472 R473 | D465-I469 VanDerWaalsContact O-CG1 3.31Å; D465-I469 WeakPolarHBondContact O-CG1 3.39Å; D465-I469 PolarHBondContact O-N 2.95Å; V466-I469 PolarHBondContact O-N 3.15Å; I469-R472 PolarHBondContact O-N 2.84Å; I469-R473 PolarHBondContact O-N 3.17Å |
| 470 | L | 77.8 | Confident | 65.9 | Low | 39 Ų | 39 | 86.8 Ų | 86.8 | 20% | 0.204 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 174.9 | -72.9 | 166 | 0 | 0 | 0 | 111.5 | M165 L166 V466 R472 R473 I474 | M165-L470 HydrophobicContact CB-CD1 4.43Å; L166-L470 HydrophobicContact CD1-CD1 3.58Å; L166-L470 HydrophobicContact CD1-CD2 3.96Å; L166-L470 HydrophobicContact CD1-CG 4.41Å; L166-L470 HydrophobicContact CG-CD1 4.42Å; L166-L470 HydrophobicContact CG-CD2 4.41Å; V466-L470 HydrophobicContact CG1-CD1 3.95Å; V466-L470 HydrophobicContact CG1-CG 4.28Å; V466-L470 WeakPolarHBondContact O-CB 3.46Å; V466-L470 WeakPolarHBondContact O-CG 3.5Å; V466-L470 PolarHBondContact O-N 3.48Å; L470-R472 VanDerWaalsContact C-N 3.25Å; L470-R472 PolarHBondContact O-N 3.46Å; L470-R473 PolarHBondContact O-N 3.01Å; L470-I474 WeakPolarHBondContact O-CG1 3.3Å; L470-I474 PolarHBondContact O-N 3.07Å; L470-I474 VanDerWaalsContact O-N 3.1Å |
| 471 | S | 74.6 | Confident | 66.1 | Low | 52 Ų | 52 | 82.5 Ų | 82.5 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -56 | -40.2 | 176 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | A467 A475 | A467-S471 VanDerWaalsContact O-CB 3.23Å; A467-S471 WeakPolarHBondContact O-CB 3.48Å; A467-S471 PolarHBondContact O-N 2.88Å; A467-S471 PolarHBondContact O-OG 2.68Å; S471-A475 VanDerWaalsContact O-CB 3.27Å; S471-A475 WeakPolarHBondContact O-CB 3.48Å; S471-A475 PolarHBondContact O-N 2.8Å |
| 472 | R | 78 | Confident | 65.9 | Low | 132 Ų | 132 | 82.6 Ų | 82.6 | 50% | 0.498 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.4 | -48.9 | 177.6 | -75.5 | 166.8 | 177.8 | -102.1 | -10.6 | 112.3 | V462 T468 I469 L470 I474 A475 V476 | V462-R472 VanDerWaalsContact CG1-CZ 3.5Å; T468-R472 WeakPolarHBondContact O-CB 3.25Å; T468-R472 WeakPolarHBondContact O-CD 3.36Å; T468-R472 VanDerWaalsContact O-CG 3.25Å; T468-R472 WeakPolarHBondContact O-CG 3.34Å; T468-R472 PolarHBondContact O-N 3.46Å; I469-R472 PolarHBondContact O-N 2.84Å; L470-R472 VanDerWaalsContact C-N 3.25Å; L470-R472 PolarHBondContact O-N 3.46Å; R472-I474 PolarHBondContact O-N 3.16Å; R472-A475 PolarHBondContact O-N 3.4Å; R472-V476 WeakPolarHBondContact O-CG2 3.41Å; R472-V476 PolarHBondContact O-N 2.8Å |
| 473 | R | 78.6 | Confident | 65.1 | Low | 174 Ų | 174 | 85.3 Ų | 85.3 | 66% | 0.657 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -58 | -50.2 | -177.4 | -178.1 | 173 | 177.2 | 151.4 | 3 | 111.1 | I469 L470 A475 V476 E477 | I469-R473 PolarHBondContact O-N 3.17Å; L470-R473 PolarHBondContact O-N 3.01Å; R473-A475 VanDerWaalsContact C-N 3.31Å; R473-A475 PolarHBondContact O-N 2.9Å; R473-V476 PolarHBondContact O-N 2.87Å; R473-E477 WeakPolarHBondContact O-CB 3.28Å; R473-E477 PolarHBondContact O-N 3.14Å |
| 474 | I | 71.7 | Confident | 64.5 | Low | 28 Ų | 28 | 91.1 Ų | 91.1 | 14% | 0.144 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -67.4 | -33.3 | -179.1 | -54.4 | 164.7 | 0 | 0 | 0 | 111 | T169 L470 R472 V476 E477 Y478 | T169-I474 HydrophobicContact CG2-CD1 4.19Å; L470-I474 WeakPolarHBondContact O-CG1 3.3Å; L470-I474 PolarHBondContact O-N 3.07Å; L470-I474 VanDerWaalsContact O-N 3.1Å; R472-I474 PolarHBondContact O-N 3.16Å; I474-V476 VanDerWaalsContact C-N 3.34Å; I474-V476 PolarHBondContact O-N 2.98Å; I474-E477 PolarHBondContact O-N 3.48Å; I474-Y478 HydrophobicContact CG2-CD2 3.73Å; I474-Y478 HydrophobicContact CG2-CE2 3.73Å; I474-Y478 WeakPolarHBondContact O-CD2 3.18Å; I474-Y478 PolarHBondContact O-N 3.18Å |
| 475 | A | 69.4 | Low | 63.6 | Low | 54 Ų | 54 | 91.6 Ų | 91.6 | 45% | 0.446 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -33.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S471 R472 R473 S479 | S471-A475 VanDerWaalsContact O-CB 3.27Å; S471-A475 WeakPolarHBondContact O-CB 3.48Å; S471-A475 PolarHBondContact O-N 2.8Å; R472-A475 PolarHBondContact O-N 3.4Å; R473-A475 VanDerWaalsContact C-N 3.31Å; R473-A475 PolarHBondContact O-N 2.9Å; A475-S479 PolarHBondContact O-N 3.47Å; A475-S479 PolarHBondContact O-OG 2.64Å |
| 476 | V | 73.3 | Confident | 62.3 | Low | 105 Ų | 105 | 96.8 Ų | 96.8 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.2 | -45.9 | 174.2 | 174 | 0 | 0 | 0 | 0 | 110.9 | R472 R473 I474 Y478 S479 | R472-V476 WeakPolarHBondContact O-CG2 3.41Å; R472-V476 PolarHBondContact O-N 2.8Å; R473-V476 PolarHBondContact O-N 2.87Å; I474-V476 VanDerWaalsContact C-N 3.34Å; I474-V476 PolarHBondContact O-N 2.98Å; V476-Y478 PolarHBondContact O-N 3.24Å; V476-Y478 VanDerWaalsContact O-N 3.16Å; V476-S479 WeakPolarHBondContact O-CB 3.18Å; V476-S479 PolarHBondContact O-N 3.42Å |
| 477 | E | 61.4 | Low | 60.9 | Low | 115 Ų | 115 | 102 Ų | 102 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.6 | -25.8 | -175.5 | -163.8 | 159 | -154.7 | 0 | 0 | 113.7 | R473 I474 | R473-E477 WeakPolarHBondContact O-CB 3.28Å; R473-E477 PolarHBondContact O-N 3.14Å; I474-E477 PolarHBondContact O-N 3.48Å |
| 478 | Y | 53.5 | Low | 59.6 | Low | 114 Ų | 114 | 110.7 Ų | 110.7 | 45% | 0.447 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.4 | -2.3 | 171.6 | -71.4 | -76.4 | 0 | 0 | 0 | 114.8 | I474 V476 | I474-Y478 HydrophobicContact CG2-CD2 3.73Å; I474-Y478 HydrophobicContact CG2-CE2 3.73Å; I474-Y478 WeakPolarHBondContact O-CD2 3.18Å; I474-Y478 PolarHBondContact O-N 3.18Å; V476-Y478 PolarHBondContact O-N 3.24Å; V476-Y478 VanDerWaalsContact O-N 3.16Å |
| 479 | S | 54.3 | Low | 58.1 | Low | 89 Ų | 89 | 117.8 Ų | 117.8 | 62% | 0.622 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -27 | 171.8 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | A475 V476 S481 | A475-S479 PolarHBondContact O-N 3.47Å; A475-S479 PolarHBondContact O-OG 2.64Å; V476-S479 WeakPolarHBondContact O-CB 3.18Å; V476-S479 PolarHBondContact O-N 3.42Å; S479-S481 VanDerWaalsContact C-N 3.28Å |
| 480 | D | 46.9 | Very low | 56.3 | Low | 156 Ų | 156 | 121.2 Ų | 121.2 | 83% | 0.834 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -79.6 | -6.8 | 175 | -117.7 | 15.9 | 0 | 0 | 0 | 112.9 | ||
| 481 | S | 45.1 | Very low | 54.3 | Low | 61 Ų | 61 | 130.7 Ų | 130.7 | 43% | 0.427 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -123.7 | 9.9 | -168.9 | 86.9 | 0 | 0 | 0 | 0 | 115.1 | S479 | S479-S481 VanDerWaalsContact C-N 3.28Š|
| 482 | E | 46.2 | Very low | 53.3 | Low | 115 Ų | 115 | 134.6 Ų | 134.6 | 54% | 0.537 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -114.7 | -0.5 | 176 | -76.3 | -168.2 | 167.5 | 0 | 0 | 113.2 | R177 | R177-E482 IonicContact CZ-OE1 3.9Å; R177-E482 IonicContact NE-OE1 3.37Å; R177-E482 IonicContact NH2-OE1 3.03Å; R177-E482 PolarHBondContact NH2-OE1 3.4Å |
| 483 | D | 41.4 | Very low | 52 | Low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -97.4 | -27.9 | -179.2 | -148.6 | 44.4 | 0 | 0 | 0 | 113 | S485 | D483-S485 VanDerWaalsContact C-N 3.31Å; D483-S485 PolarHBondContact O-N 3.45Å |
| 484 | D | 43.7 | Very low | 50.5 | Low | 156 Ų | 156 | 132.6 Ų | 132.6 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 33.6 | -171.3 | -151.7 | 26.8 | 0 | 0 | 0 | 112.7 | ||
| 485 | S | 45.3 | Very low | 49.3 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.3 | 5.9 | -170.2 | -63.4 | 0 | 0 | 0 | 0 | 117.1 | D483 | D483-S485 VanDerWaalsContact C-N 3.31Å; D483-S485 PolarHBondContact O-N 3.45Å |
| 486 | E | 46.5 | Very low | 48 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -106.2 | 16.6 | 176.2 | -73.1 | -161 | 165.4 | 0 | 0 | 114.2 | ||
| 487 | L | 41.2 | Very low | 46.3 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -124.2 | 10.7 | -168.3 | -71.3 | -179.7 | 0 | 0 | 0 | 118 | ||
| 488 | E | 46 | Very low | 45.2 | Very low | 199 Ų | 199 | 148.9 Ų | 148.9 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -137.3 | 52.3 | -179.1 | -153.8 | 169.6 | -115.8 | 0 | 0 | 114.6 | ||
| 489 | E | 46.8 | Very low | 44.6 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | trans | -146.7 | 60.2 | 164.2 | -162 | 178.6 | -158.1 | 0 | 0 | 112.4 | ||||
| 490 | N | 40 | Very low | 43.8 | Very low | 159 Ų | 159 | 156.8 Ų | 156.8 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -160.8 | 86.8 | 159.6 | -167.9 | 107.5 | 0 | 0 | 0 | 112.9 | ||||
| 491 | D | 36.5 | Very low | 43.5 | Very low | 238 Ų | 238 | 156.8 Ų | 156.8 | 100% | 1.273 | 82% | 0.819 | S | S | * | * | trans | -149.1 | 0 | 149.4 | -140.9 | 2.2 | 0 | 0 | 0 | 108.6 |
Retrieved 491 of 491 residues in 195.1 ms
(Link to these results)