| 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 | 36.9 | Very low | 73.7 | Confident | 227 Ų | 227 | 100.3 Ų | 100.3 | 100% | 1.118 | 49% | 0.492 | S | S | * | . | 0 | 114.1 | 0 | -68.2 | -175.6 | -80.9 | 0 | 0 | 108 | R3 | M1-R3 PolarHBondContact O-N 2.89Š| |||
| 2 | L | 43 | Very low | 75 | Confident | 155 Ų | 155 | 93.2 Ų | 93.2 | 81% | 0.812 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 119.9 | 164.3 | -76.2 | 127 | 0 | 0 | 0 | 106.9 | H4 | L2-H4 PolarHBondContact O-N 3.49Š|
| 3 | R | 48.7 | Very low | 76.2 | Confident | 236 Ų | 236 | 90 Ų | 90 | 89% | 0.891 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 116.4 | 172.6 | -80.4 | -169.6 | 166.3 | -108.4 | -4.6 | 108.1 | M1 S5 | M1-R3 PolarHBondContact O-N 2.89Å; R3-S5 PolarHBondContact O-N 2.81Å |
| 4 | H | 65.3 | Low | 77.3 | Confident | 132 Ų | 132 | 94.2 Ų | 94.2 | 61% | 0.611 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -59 | 121.8 | 166.9 | -54.7 | -85 | 0 | 0 | 0 | 107.8 | L2 | L2-H4 PolarHBondContact O-N 3.49Š|
| 5 | S | 76.4 | Confident | 77.9 | Confident | 77 Ų | 77 | 97.8 Ų | 97.8 | 54% | 0.538 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 135.6 | 166.5 | 39.8 | 0 | 0 | 0 | 0 | 108.4 | R3 R40 | R3-S5 PolarHBondContact O-N 2.81Å; S5-R40 PolarHBondContact O-NH1 3.14Å |
| 6 | P | 83.3 | Confident | 78.6 | Confident | 60 Ų | 60 | 93.7 Ų | 93.7 | 39% | 0.39 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 161.7 | 177 | 26.7 | -34.9 | 0 | 0 | 0 | 111.2 | E10 L11 R40 | P6-E10 WeakPolarHBondContact CA-OE2 3.37Å; P6-E10 HydrophobicContact CB-CB 4.18Å; P6-E10 VanDerWaalsContact CB-OE2 3.23Å; P6-E10 WeakPolarHBondContact CB-OE2 3.4Å; P6-L11 HydrophobicContact CB-CD2 4.42Å; P6-L11 HydrophobicContact CB-CG 4.27Å; P6-L11 HydrophobicContact CG-CD1 4.16Å; P6-L11 HydrophobicContact CG-CD2 3.74Å; P6-L11 HydrophobicContact CG-CG 3.87Å; P6-R40 PolarHBondContact O-NH1 2.98Å; P6-R40 PolarHBondContact O-NH2 2.94Å |
| 7 | S | 89.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 92.3 Ų | 92.3 | 0% | 0 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -69 | 152 | 170.1 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | W9 E10 L11 R40 | S7-W9 PolarHBondContact O-N 2.83Å; S7-E10 VanDerWaalsContact CB-OE1 3.22Å; S7-E10 WeakPolarHBondContact CB-OE1 3.27Å; S7-E10 VanDerWaalsContact N-CD 3.29Å; S7-E10 PolarHBondContact N-OE1 3.32Å; S7-E10 PolarHBondContact N-OE2 3.44Å; S7-E10 PolarHBondContact O-N 3.32Å; S7-E10 VanDerWaalsContact O-N 3.16Å; S7-E10 WeakPolarHBondContact OG-CB 3.49Å; S7-E10 WeakPolarHBondContact OG-CG 3.46Å; S7-E10 PolarHBondContact OG-N 3.03Å; S7-E10 PolarHBondContact OG-OE1 3.09Å; S7-L11 WeakPolarHBondContact O-CG 3.31Å; S7-L11 PolarHBondContact O-N 3.24Å; S7-R40 VanDerWaalsContact CB-CD 3.43Å |
| 8 | L | 91.8 | Very high | 79.7 | Confident | 27 Ų | 27 | 94.9 Ų | 94.9 | 14% | 0.141 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -55.7 | -35 | 168.8 | -176.3 | 66.7 | 0 | 0 | 0 | 110.7 | V12 L165 L168 L169 E172 | L8-V12 WeakPolarHBondContact O-CB 2.96Å; L8-V12 WeakPolarHBondContact O-CG2 3.31Å; L8-V12 PolarHBondContact O-N 3.48Å; L8-L165 HydrophobicContact CD1-CD2 4.35Å; L8-L168 HydrophobicContact CD1-CB 4.45Å; L8-L168 HydrophobicContact CD2-CB 3.58Å; L8-L169 HydrophobicContact CD2-CB 3.86Å; L8-L169 HydrophobicContact CD2-CD1 4.3Å; L8-L169 VanDerWaalsContact CD2-N 3.32Å; L8-E172 PolarHBondContact N-OE2 2.99Å; L8-E172 VanDerWaalsContact N-OE2 3.15Å |
| 9 | W | 93.8 | Very high | 80.2 | Confident | 19 Ų | 19 | 102.3 Ų | 102.3 | 7% | 0.072 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -65.5 | -46 | 174.3 | -174.7 | -110.2 | 0 | 0 | 0 | 112.9 | S7 L11 V12 E13 K25 L28 V33 L37 | S7-W9 PolarHBondContact O-N 2.83Å; W9-L11 VanDerWaalsContact C-N 3.33Å; W9-L11 PolarHBondContact O-N 3.37Å; W9-V12 HydrophobicContact CE3-CB 4.49Å; W9-V12 HydrophobicContact CE3-CG1 4.06Å; W9-V12 HydrophobicContact CZ3-CG1 3.89Å; W9-V12 CarbonylContact O-C 3.45Å; W9-V12 PolarHBondContact O-N 3.03Å; W9-E13 HydrophobicContact CD2-CG 4.19Å; W9-E13 HydrophobicContact CG-CG 4.39Å; W9-E13 HydrophobicContact CZ2-CG 3.84Å; W9-E13 VanDerWaalsContact NE1-CD 3.3Å; W9-E13 PolarHBondContact NE1-OE1 2.88Å; W9-E13 VanDerWaalsContact NE1-OE1 3.12Å; W9-E13 WeakPolarHBondContact O-CB 3.43Å; W9-E13 WeakPolarHBondContact O-CG 3.46Å; W9-E13 PolarHBondContact O-N 2.98Å; W9-K25 HydrophobicContact CH2-CB 3.51Å; W9-K25 HydrophobicContact CH2-CG 4.03Å; W9-K25 HydrophobicContact CZ2-CB 3.98Å; W9-K25 HydrophobicContact CZ2-CG 4.2Å; W9-K25 HydrophobicContact CZ3-CB 4.11Å; W9-K25 HydrophobicContact CZ3-CG 4.37Å; W9-L28 HydrophobicContact CE3-CD1 4.37Å; W9-L28 HydrophobicContact CZ3-CD1 4.13Å; W9-V33 HydrophobicContact CB-CG1 4.02Å; W9-V33 HydrophobicContact CD2-CG1 3.46Å; W9-V33 VanDerWaalsContact CD2-CG1 3.46Å; W9-V33 HydrophobicContact CE3-CG1 3.74Å; W9-V33 HydrophobicContact CE3-CG2 3.93Å; W9-V33 HydrophobicContact CG-CG1 3.56Å; W9-V33 HydrophobicContact CZ3-CG2 4.34Å; W9-L37 HydrophobicContact CB-CD2 4.38Å |
| 10 | E | 91.3 | Very high | 80.7 | Confident | 94 Ų | 94 | 102.6 Ų | 102.6 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.2 | -43.6 | 174.3 | -77.1 | 144.9 | -125.5 | 0 | 0 | 112.4 | P6 S7 V12 E13 E14 | P6-E10 WeakPolarHBondContact CA-OE2 3.37Å; P6-E10 HydrophobicContact CB-CB 4.18Å; P6-E10 VanDerWaalsContact CB-OE2 3.23Å; P6-E10 WeakPolarHBondContact CB-OE2 3.4Å; S7-E10 VanDerWaalsContact CB-OE1 3.22Å; S7-E10 WeakPolarHBondContact CB-OE1 3.27Å; S7-E10 VanDerWaalsContact N-CD 3.29Å; S7-E10 PolarHBondContact N-OE1 3.32Å; S7-E10 PolarHBondContact N-OE2 3.44Å; S7-E10 PolarHBondContact O-N 3.32Å; S7-E10 VanDerWaalsContact O-N 3.16Å; S7-E10 WeakPolarHBondContact OG-CB 3.49Å; S7-E10 WeakPolarHBondContact OG-CG 3.46Å; S7-E10 PolarHBondContact OG-N 3.03Å; S7-E10 PolarHBondContact OG-OE1 3.09Å; E10-V12 VanDerWaalsContact C-N 3.35Å; E10-E13 WeakPolarHBondContact O-CB 3.47Å; E10-E13 PolarHBondContact O-N 3.43Å; E10-E14 PolarHBondContact O-N 3.19Å |
| 11 | L | 91.1 | Very high | 81.3 | Confident | 76 Ų | 76 | 100.4 Ų | 100.4 | 40% | 0.398 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 177 | -69.2 | 171.3 | 0 | 0 | 0 | 112 | P6 S7 W9 H15 | P6-L11 HydrophobicContact CB-CD2 4.42Å; P6-L11 HydrophobicContact CB-CG 4.27Å; P6-L11 HydrophobicContact CG-CD1 4.16Å; P6-L11 HydrophobicContact CG-CD2 3.74Å; P6-L11 HydrophobicContact CG-CG 3.87Å; S7-L11 WeakPolarHBondContact O-CG 3.31Å; S7-L11 PolarHBondContact O-N 3.24Å; W9-L11 VanDerWaalsContact C-N 3.33Å; W9-L11 PolarHBondContact O-N 3.37Å; L11-H15 PolarHBondContact O-ND1 2.85Å |
| 12 | V | 88.9 | Confident | 83.9 | Confident | 15 Ų | 15 | 93.7 Ų | 93.7 | 9% | 0.091 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 174.6 | 163.2 | 0 | 0 | 0 | 0 | 110.8 | L8 W9 E10 E14 H15 I16 V24 L28 L165 | L8-V12 WeakPolarHBondContact O-CB 2.96Å; L8-V12 WeakPolarHBondContact O-CG2 3.31Å; L8-V12 PolarHBondContact O-N 3.48Å; W9-V12 HydrophobicContact CE3-CB 4.49Å; W9-V12 HydrophobicContact CE3-CG1 4.06Å; W9-V12 HydrophobicContact CZ3-CG1 3.89Å; W9-V12 CarbonylContact O-C 3.45Å; W9-V12 PolarHBondContact O-N 3.03Å; E10-V12 VanDerWaalsContact C-N 3.35Å; V12-E14 PolarHBondContact O-N 2.68Å; V12-H15 PolarHBondContact O-N 2.85Å; V12-I16 HydrophobicContact CG1-CD1 3.45Å; V12-I16 VanDerWaalsContact CG1-CD1 3.45Å; V12-I16 WeakPolarHBondContact O-CD1 3.28Å; V12-I16 VanDerWaalsContact O-CG1 3.3Å; V12-I16 WeakPolarHBondContact O-CG1 3.31Å; V12-I16 PolarHBondContact O-N 3.35Å; V12-V24 HydrophobicContact CG1-CG1 4.4Å; V12-L28 HydrophobicContact CG1-CD1 4.24Å; V12-L165 HydrophobicContact CG2-CD1 4.31Å; V12-L165 HydrophobicContact CG2-CD2 4Å |
| 13 | E | 91.3 | Very high | 86.2 | Confident | 52 Ų | 52 | 90.2 Ų | 90.2 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 177 | -83.9 | -150.2 | 148.6 | 0 | 0 | 113.8 | W9 E10 H15 I16 R21 | W9-E13 HydrophobicContact CD2-CG 4.19Å; W9-E13 HydrophobicContact CG-CG 4.39Å; W9-E13 HydrophobicContact CZ2-CG 3.84Å; W9-E13 VanDerWaalsContact NE1-CD 3.3Å; W9-E13 PolarHBondContact NE1-OE1 2.88Å; W9-E13 VanDerWaalsContact NE1-OE1 3.12Å; W9-E13 WeakPolarHBondContact O-CB 3.43Å; W9-E13 WeakPolarHBondContact O-CG 3.46Å; W9-E13 PolarHBondContact O-N 2.98Å; E10-E13 WeakPolarHBondContact O-CB 3.47Å; E10-E13 PolarHBondContact O-N 3.43Å; E13-H15 PolarHBondContact O-N 2.87Å; E13-I16 PolarHBondContact O-N 3.03Å; E13-R21 VanDerWaalsContact CD-CZ 3.5Å; E13-R21 PolarHBondContact O-NE 3.45Å; E13-R21 PolarHBondContact O-NH2 2.9Å; E13-R21 WeakPolarHBondContact OE1-CD 3.39Å; E13-R21 IonicContact OE1-CZ 2.83Å; E13-R21 IonicContact OE1-NE 3.62Å; E13-R21 IonicContact OE1-NH1 2.82Å; E13-R21 PolarHBondContact OE1-NH1 3.34Å; E13-R21 VanDerWaalsContact OE1-NH1 3.09Å; E13-R21 IonicContact OE2-CZ 3.29Å; E13-R21 IonicContact OE2-NH1 3.94Å; E13-R21 PolarHBondContact OE2-NH1 3.4Å; E13-R21 IonicContact OE2-NH2 2.66Å |
| 14 | E | 90.7 | Very high | 88.2 | Confident | 149 Ų | 149 | 80.5 Ų | 80.5 | 70% | 0.696 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -57.9 | -32 | 176.2 | -176 | 173.2 | -158.5 | 0 | 0 | 111.9 | E10 V12 | E10-E14 PolarHBondContact O-N 3.19Å; V12-E14 PolarHBondContact O-N 2.68Å |
| 15 | H | 87.3 | Confident | 89.6 | Confident | 148 Ų | 148 | 75.8 Ų | 75.8 | 69% | 0.685 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -5.1 | -175 | -65.3 | 80.4 | 0 | 0 | 0 | 114.1 | L11 V12 E13 | L11-H15 PolarHBondContact O-ND1 2.85Å; V12-H15 PolarHBondContact O-N 2.85Å; E13-H15 PolarHBondContact O-N 2.87Å |
| 16 | I | 88.4 | Confident | 90.4 | Very high | 32 Ų | 32 | 79.8 Ų | 79.8 | 16% | 0.164 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -119.8 | 128 | -171.1 | -65.6 | 169.7 | 0 | 0 | 0 | 112 | V12 E13 L18 E20 R21 V24 | V12-I16 HydrophobicContact CG1-CD1 3.45Å; V12-I16 VanDerWaalsContact CG1-CD1 3.45Å; V12-I16 WeakPolarHBondContact O-CD1 3.28Å; V12-I16 VanDerWaalsContact O-CG1 3.3Å; V12-I16 WeakPolarHBondContact O-CG1 3.31Å; V12-I16 PolarHBondContact O-N 3.35Å; E13-I16 PolarHBondContact O-N 3.03Å; I16-L18 PolarHBondContact O-N 3.01Å; I16-E20 HydrophobicContact CG2-CB 3.81Å; I16-R21 HydrophobicContact CB-CG 4.23Å; I16-R21 HydrophobicContact CG2-CB 4.5Å; I16-R21 HydrophobicContact CG2-CG 3.79Å; I16-R21 PolarHBondContact O-NE 3.09Å; I16-V24 HydrophobicContact CD1-CB 3.9Å; I16-V24 HydrophobicContact CD1-CG1 3.65Å; I16-V24 HydrophobicContact CD1-CG2 3.95Å; I16-V24 HydrophobicContact CG2-CG2 4.41Å |
| 17 | P | 90.7 | Very high | 90.8 | Very high | 70 Ų | 70 | 80 Ų | 80 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | trans | -53.9 | 138.4 | 173.8 | -25.6 | 34.6 | 0 | 0 | 0 | 112.6 | R19 E20 R21 | P17-R19 PolarHBondContact O-N 3.11Å; P17-E20 PolarHBondContact O-N 3.33Å; P17-R21 PolarHBondContact O-N 3.38Å | ||
| 18 | L | 87.4 | Confident | 90.9 | Very high | 140 Ų | 140 | 80.2 Ų | 80.2 | 73% | 0.733 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -27 | -177.7 | -71.1 | 166.2 | 0 | 0 | 0 | 115 | I16 | I16-L18 PolarHBondContact O-N 3.01Š|
| 19 | R | 89 | Confident | 91.1 | Very high | 235 Ų | 235 | 80.2 Ų | 80.2 | 89% | 0.887 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -25.2 | 177.5 | -66.7 | -176.8 | 175.3 | -173 | -2.3 | 114.1 | P17 | P17-R19 PolarHBondContact O-N 3.11Š|
| 20 | E | 90.4 | Very high | 91.1 | Very high | 108 Ų | 108 | 84.3 Ų | 84.3 | 51% | 0.505 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -20.4 | -174 | -71.3 | 158.4 | -139.6 | 0 | 0 | 112 | I16 P17 E23 V24 | I16-E20 HydrophobicContact CG2-CB 3.81Å; P17-E20 PolarHBondContact O-N 3.33Å; E20-E23 WeakPolarHBondContact O-CB 3.41Å; E20-E23 PolarHBondContact O-N 3.34Å; E20-V24 PolarHBondContact O-N 3.4Å |
| 21 | R | 91.6 | Very high | 91.3 | Very high | 56 Ų | 56 | 83.6 Ų | 83.6 | 21% | 0.211 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -46.5 | -49 | 174.7 | -68.1 | -176 | -179.7 | -165 | -4.3 | 115.1 | E13 I16 P17 E23 V24 K25 | E13-R21 VanDerWaalsContact CD-CZ 3.5Å; E13-R21 PolarHBondContact O-NE 3.45Å; E13-R21 PolarHBondContact O-NH2 2.9Å; E13-R21 WeakPolarHBondContact OE1-CD 3.39Å; E13-R21 IonicContact OE1-CZ 2.83Å; E13-R21 IonicContact OE1-NE 3.62Å; E13-R21 IonicContact OE1-NH1 2.82Å; E13-R21 PolarHBondContact OE1-NH1 3.34Å; E13-R21 VanDerWaalsContact OE1-NH1 3.09Å; E13-R21 IonicContact OE2-CZ 3.29Å; E13-R21 IonicContact OE2-NH1 3.94Å; E13-R21 PolarHBondContact OE2-NH1 3.4Å; E13-R21 IonicContact OE2-NH2 2.66Å; I16-R21 HydrophobicContact CB-CG 4.23Å; I16-R21 HydrophobicContact CG2-CB 4.5Å; I16-R21 HydrophobicContact CG2-CG 3.79Å; I16-R21 PolarHBondContact O-NE 3.09Å; P17-R21 PolarHBondContact O-N 3.38Å; R21-E23 VanDerWaalsContact C-N 3.3Å; R21-E23 PolarHBondContact O-N 2.95Å; R21-V24 PolarHBondContact O-N 2.81Å; R21-K25 WeakPolarHBondContact O-CB 3.43Å; R21-K25 PolarHBondContact O-N 2.87Å |
| 22 | P | 91.9 | Very high | 91.4 | Very high | 86 Ų | 86 | 81.6 Ų | 81.6 | 56% | 0.558 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.9 | -31.9 | 178.8 | 25.8 | -34.8 | 0 | 0 | 0 | 113 | R26 | P22-R26 WeakPolarHBondContact O-CB 3.49Å; P22-R26 PolarHBondContact O-N 3.03Å |
| 23 | E | 92.1 | Very high | 91.7 | Very high | 82 Ų | 82 | 80.9 Ų | 80.9 | 38% | 0.383 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.2 | -44.2 | 175 | -175.2 | 58.5 | -121.8 | 0 | 0 | 110.7 | E20 R21 R26 I27 | E20-E23 WeakPolarHBondContact O-CB 3.41Å; E20-E23 PolarHBondContact O-N 3.34Å; R21-E23 VanDerWaalsContact C-N 3.3Å; R21-E23 PolarHBondContact O-N 2.95Å; E23-R26 WeakPolarHBondContact O-CB 3.04Å; E23-R26 PolarHBondContact O-N 3.5Å; E23-R26 IonicContact OE1-CZ 3.81Å; E23-R26 VanDerWaalsContact OE1-CZ 3.24Å; E23-R26 IonicContact OE1-NE 3.16Å; E23-R26 PolarHBondContact OE1-NE 3.05Å; E23-R26 VanDerWaalsContact OE1-NE 3.07Å; E23-R26 IonicContact OE1-NH2 3.6Å; E23-R26 PolarHBondContact OE1-NH2 3.04Å; E23-R26 IonicContact OE2-CZ 3.24Å; E23-R26 VanDerWaalsContact OE2-CZ 3.32Å; E23-R26 IonicContact OE2-NE 3.07Å; E23-R26 IonicContact OE2-NH2 2.66Å; E23-R26 PolarHBondContact OE2-NH2 2.98Å; E23-I27 HydrophobicContact CG-CD1 4.08Å; E23-I27 VanDerWaalsContact O-CG1 3.3Å; E23-I27 WeakPolarHBondContact O-CG1 3.17Å; E23-I27 PolarHBondContact O-N 3.04Å |
| 24 | V | 90.9 | Very high | 91.9 | Very high | 33 Ų | 33 | 81 Ų | 81 | 20% | 0.2 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.9 | -34.9 | 176.9 | -178 | 0 | 0 | 0 | 0 | 111.9 | V12 I16 E20 R21 R26 I27 L28 | V12-V24 HydrophobicContact CG1-CG1 4.4Å; I16-V24 HydrophobicContact CD1-CB 3.9Å; I16-V24 HydrophobicContact CD1-CG1 3.65Å; I16-V24 HydrophobicContact CD1-CG2 3.95Å; I16-V24 HydrophobicContact CG2-CG2 4.41Å; E20-V24 PolarHBondContact O-N 3.4Å; R21-V24 PolarHBondContact O-N 2.81Å; V24-R26 VanDerWaalsContact C-N 3.32Å; V24-R26 PolarHBondContact O-N 2.58Å; V24-I27 PolarHBondContact O-N 3Å; V24-L28 HydrophobicContact CG1-CD1 4.3Å; V24-L28 HydrophobicContact CG1-CG 4.15Å; V24-L28 WeakPolarHBondContact O-CG 3.4Å; V24-L28 PolarHBondContact O-N 2.98Å |
| 25 | K | 94.3 | Very high | 92.2 | Very high | 32 Ų | 32 | 77.3 Ų | 77.3 | 14% | 0.139 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 171.3 | -164.1 | -169.8 | 175.4 | -156.5 | 0 | 110.7 | W9 R21 I27 L28 G29 E30 V33 D34 | W9-K25 HydrophobicContact CH2-CB 3.51Å; W9-K25 HydrophobicContact CH2-CG 4.03Å; W9-K25 HydrophobicContact CZ2-CB 3.98Å; W9-K25 HydrophobicContact CZ2-CG 4.2Å; W9-K25 HydrophobicContact CZ3-CB 4.11Å; W9-K25 HydrophobicContact CZ3-CG 4.37Å; R21-K25 WeakPolarHBondContact O-CB 3.43Å; R21-K25 PolarHBondContact O-N 2.87Å; K25-I27 PolarHBondContact O-N 2.76Å; K25-L28 PolarHBondContact O-N 3.4Å; K25-G29 CarbonylContact O-C 3.47Å; K25-G29 PolarHBondContact O-N 2.76Å; K25-E30 HydrophobicContact CD-CG 4.23Å; K25-E30 WeakPolarHBondContact CD-OE1 3.35Å; K25-E30 WeakPolarHBondContact CE-OE1 3.3Å; K25-E30 HydrophobicContact CG-CB 4.5Å; K25-E30 IonicContact NZ-OE1 3.68Å; K25-E30 PolarHBondContact NZ-OE1 2.88Å; K25-E30 PolarHBondContact O-N 3.49Å; K25-V33 HydrophobicContact CG-CB 4.12Å; K25-V33 HydrophobicContact CG-CG1 4.11Å; K25-V33 HydrophobicContact CG-CG2 4.17Å; K25-D34 WeakPolarHBondContact CE-OD1 3.25Å; K25-D34 WeakPolarHBondContact CE-OD2 3.25Å; K25-D34 IonicContact NZ-OD1 3.32Å; K25-D34 PolarHBondContact NZ-OD1 2.99Å; K25-D34 IonicContact NZ-OD2 2.7Å; K25-D34 PolarHBondContact NZ-OD2 3.49Å |
| 26 | R | 93.8 | Very high | 92.6 | Very high | 161 Ų | 161 | 70.2 Ų | 70.2 | 61% | 0.608 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.4 | -43.7 | 174.4 | -175.9 | 176.4 | 73.7 | 169.1 | 3 | 112.2 | P22 E23 V24 G29 | P22-R26 WeakPolarHBondContact O-CB 3.49Å; P22-R26 PolarHBondContact O-N 3.03Å; E23-R26 WeakPolarHBondContact O-CB 3.04Å; E23-R26 PolarHBondContact O-N 3.5Å; E23-R26 IonicContact OE1-CZ 3.81Å; E23-R26 VanDerWaalsContact OE1-CZ 3.24Å; E23-R26 IonicContact OE1-NE 3.16Å; E23-R26 PolarHBondContact OE1-NE 3.05Å; E23-R26 VanDerWaalsContact OE1-NE 3.07Å; E23-R26 IonicContact OE1-NH2 3.6Å; E23-R26 PolarHBondContact OE1-NH2 3.04Å; E23-R26 IonicContact OE2-CZ 3.24Å; E23-R26 VanDerWaalsContact OE2-CZ 3.32Å; E23-R26 IonicContact OE2-NE 3.07Å; E23-R26 IonicContact OE2-NH2 2.66Å; E23-R26 PolarHBondContact OE2-NH2 2.98Å; V24-R26 VanDerWaalsContact C-N 3.32Å; V24-R26 PolarHBondContact O-N 2.58Å; R26-G29 PolarHBondContact O-N 3.48Å |
| 27 | I | 91.6 | Very high | 92.9 | Very high | 64 Ų | 64 | 71.5 Ų | 71.5 | 33% | 0.328 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 177.9 | -70.5 | 165 | 0 | 0 | 0 | 111.7 | E23 V24 K25 G29 A162 R166 | E23-I27 HydrophobicContact CG-CD1 4.08Å; E23-I27 VanDerWaalsContact O-CG1 3.3Å; E23-I27 WeakPolarHBondContact O-CG1 3.17Å; E23-I27 PolarHBondContact O-N 3.04Å; V24-I27 PolarHBondContact O-N 3Å; K25-I27 PolarHBondContact O-N 2.76Å; I27-G29 PolarHBondContact O-N 3.33Å; I27-A162 HydrophobicContact CG2-CB 3.6Å; I27-R166 PolarHBondContact O-NH1 3.41Å |
| 28 | L | 91.5 | Very high | 93.2 | Very high | 5 Ų | 5 | 74.6 Ų | 74.6 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -75.5 | -8.3 | 175.7 | -63 | -170.8 | 0 | 0 | 0 | 113.5 | W9 V12 V24 K25 V33 A162 L165 R166 | W9-L28 HydrophobicContact CE3-CD1 4.37Å; W9-L28 HydrophobicContact CZ3-CD1 4.13Å; V12-L28 HydrophobicContact CG1-CD1 4.24Å; V24-L28 HydrophobicContact CG1-CD1 4.3Å; V24-L28 HydrophobicContact CG1-CG 4.15Å; V24-L28 WeakPolarHBondContact O-CG 3.4Å; V24-L28 PolarHBondContact O-N 2.98Å; K25-L28 PolarHBondContact O-N 3.4Å; L28-V33 HydrophobicContact CB-CG2 4.2Å; L28-A162 HydrophobicContact CD2-CB 4.38Å; L28-L165 HydrophobicContact CD1-CB 4.21Å; L28-L165 HydrophobicContact CD1-CD1 4.36Å; L28-L165 HydrophobicContact CD2-CB 3.54Å; L28-L165 HydrophobicContact CD2-CD1 4.1Å; L28-L165 HydrophobicContact CD2-CG 4.49Å; L28-R166 HydrophobicContact CB-CG 4.49Å; L28-R166 HydrophobicContact CD2-CG 4.29Å; L28-R166 VanDerWaalsContact O-CG 3.24Å; L28-R166 WeakPolarHBondContact O-CG 3.36Å |
| 29 | G | 94.6 | Very high | 93.6 | Very high | 28 Ų | 28 | 68.7 Ų | 68.7 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | trans | 88.7 | 97.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | K25 R26 I27 A31 A32 V33 | K25-G29 CarbonylContact O-C 3.47Å; K25-G29 PolarHBondContact O-N 2.76Å; R26-G29 PolarHBondContact O-N 3.48Å; I27-G29 PolarHBondContact O-N 3.33Å; G29-A31 PolarHBondContact O-N 2.9Å; G29-A32 WeakPolarHBondContact O-CB 3.26Å; G29-A32 PolarHBondContact O-N 2.88Å; G29-V33 PolarHBondContact O-N 3.2Å | ||
| 30 | E | 95 | Very high | 93.9 | Very high | 104 Ų | 104 | 59.9 Ų | 59.9 | 49% | 0.486 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -51.1 | -49.1 | -172.6 | 170.6 | 143.7 | -124.7 | 0 | 0 | 113.5 | K25 A32 V33 D34 | K25-E30 HydrophobicContact CD-CG 4.23Å; K25-E30 WeakPolarHBondContact CD-OE1 3.35Å; K25-E30 WeakPolarHBondContact CE-OE1 3.3Å; K25-E30 HydrophobicContact CG-CB 4.5Å; K25-E30 IonicContact NZ-OE1 3.68Å; K25-E30 PolarHBondContact NZ-OE1 2.88Å; K25-E30 PolarHBondContact O-N 3.49Å; E30-A32 VanDerWaalsContact C-N 3.28Å; E30-A32 PolarHBondContact O-N 3.41Å; E30-V33 PolarHBondContact O-N 3.2Å; E30-V33 VanDerWaalsContact O-N 3.13Å; E30-D34 WeakPolarHBondContact CG-OD2 3.34Å; E30-D34 PolarHBondContact O-N 3.44Å |
| 31 | A | 94.6 | Very high | 94.1 | Very high | 80 Ų | 80 | 57.7 Ų | 57.7 | 66% | 0.661 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.4 | -27 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G29 L35 | G29-A31 PolarHBondContact O-N 2.9Å; A31-L35 WeakPolarHBondContact O-CB 3.4Å; A31-L35 PolarHBondContact O-N 3.38Å |
| 32 | A | 93.2 | Very high | 94.3 | Very high | 33 Ų | 33 | 58 Ų | 58 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -76.6 | -33.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G29 E30 S36 L169 | G29-A32 WeakPolarHBondContact O-CB 3.26Å; G29-A32 PolarHBondContact O-N 2.88Å; E30-A32 VanDerWaalsContact C-N 3.28Å; E30-A32 PolarHBondContact O-N 3.41Å; A32-S36 PolarHBondContact O-N 3.29Å; A32-S36 VanDerWaalsContact O-N 3.14Å; A32-L169 HydrophobicContact CB-CD2 3.83Å; A32-L169 HydrophobicContact CB-CG 4.48Å |
| 33 | V | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.7 | -47 | 173.2 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | W9 K25 L28 G29 E30 L35 S36 L37 L169 | W9-V33 HydrophobicContact CB-CG1 4.02Å; W9-V33 HydrophobicContact CD2-CG1 3.46Å; W9-V33 VanDerWaalsContact CD2-CG1 3.46Å; W9-V33 HydrophobicContact CE3-CG1 3.74Å; W9-V33 HydrophobicContact CE3-CG2 3.93Å; W9-V33 HydrophobicContact CG-CG1 3.56Å; W9-V33 HydrophobicContact CZ3-CG2 4.34Å; K25-V33 HydrophobicContact CG-CB 4.12Å; K25-V33 HydrophobicContact CG-CG1 4.11Å; K25-V33 HydrophobicContact CG-CG2 4.17Å; L28-V33 HydrophobicContact CB-CG2 4.2Å; G29-V33 PolarHBondContact O-N 3.2Å; E30-V33 PolarHBondContact O-N 3.2Å; E30-V33 VanDerWaalsContact O-N 3.13Å; V33-L35 PolarHBondContact O-N 2.93Å; V33-S36 PolarHBondContact O-N 3.36Å; V33-L37 HydrophobicContact CG1-CD1 4.19Å; V33-L37 WeakPolarHBondContact O-CG 3.49Å; V33-L37 PolarHBondContact O-N 2.93Å; V33-L37 VanDerWaalsContact O-N 3.17Å; V33-L169 HydrophobicContact CB-CD2 4.47Å; V33-L169 HydrophobicContact CG2-CD2 3.65Å |
| 34 | D | 95.9 | Very high | 94.6 | Very high | 56 Ų | 56 | 52 Ų | 52 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 179.5 | -67.1 | -37 | 0 | 0 | 0 | 111.3 | K25 E30 S36 L37 E38 | K25-D34 WeakPolarHBondContact CE-OD1 3.25Å; K25-D34 WeakPolarHBondContact CE-OD2 3.25Å; K25-D34 IonicContact NZ-OD1 3.32Å; K25-D34 PolarHBondContact NZ-OD1 2.99Å; K25-D34 IonicContact NZ-OD2 2.7Å; K25-D34 PolarHBondContact NZ-OD2 3.49Å; E30-D34 WeakPolarHBondContact CG-OD2 3.34Å; E30-D34 PolarHBondContact O-N 3.44Å; D34-S36 PolarHBondContact O-N 3.06Å; D34-L37 PolarHBondContact O-N 3.05Å; D34-E38 WeakPolarHBondContact O-CG 3.24Å; D34-E38 PolarHBondContact O-N 3.24Å |
| 35 | L | 96.1 | Very high | 94.9 | Very high | 70 Ų | 70 | 55.6 Ų | 55.6 | 37% | 0.366 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 173.7 | 179.2 | 62.8 | 0 | 0 | 0 | 112.7 | A31 V33 L37 E38 L39 | A31-L35 WeakPolarHBondContact O-CB 3.4Å; A31-L35 PolarHBondContact O-N 3.38Å; V33-L35 PolarHBondContact O-N 2.93Å; L35-L37 VanDerWaalsContact C-N 3.3Å; L35-L37 PolarHBondContact O-N 3.19Å; L35-E38 PolarHBondContact O-N 2.94Å; L35-L39 HydrophobicContact CD1-CD1 3.96Å; L35-L39 HydrophobicContact CD1-CG 3.94Å; L35-L39 HydrophobicContact CD2-CD1 4.49Å; L35-L39 HydrophobicContact CG-CD1 3.81Å; L35-L39 HydrophobicContact CG-CG 4.26Å; L35-L39 WeakPolarHBondContact O-CB 3.47Å; L35-L39 VanDerWaalsContact O-CG 3.22Å; L35-L39 WeakPolarHBondContact O-CG 3.5Å; L35-L39 PolarHBondContact O-N 3.28Å |
| 36 | S | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.6 | -34.6 | 179.5 | 105.6 | 0 | 0 | 0 | 0 | 112.1 | A32 V33 D34 R40 L169 E172 C173 | A32-S36 PolarHBondContact O-N 3.29Å; A32-S36 VanDerWaalsContact O-N 3.14Å; V33-S36 PolarHBondContact O-N 3.36Å; D34-S36 PolarHBondContact O-N 3.06Å; S36-R40 WeakPolarHBondContact O-CB 3.4Å; S36-R40 VanDerWaalsContact O-CG 3.25Å; S36-R40 WeakPolarHBondContact O-CG 3.35Å; S36-R40 PolarHBondContact O-N 2.92Å; S36-L169 WeakPolarHBondContact OG-CD1 3.36Å; S36-E172 PolarHBondContact OG-OE1 2.87Å; S36-C173 WeakPolarHBondContact CB-SG 3.23Å |
| 37 | L | 95.1 | Very high | 94.9 | Very high | 58 Ų | 58 | 51.3 Ų | 51.3 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.1 | -41.5 | 175 | -65 | 172.3 | 0 | 0 | 0 | 111.9 | W9 V33 D34 L35 R40 A41 | W9-L37 HydrophobicContact CB-CD2 4.38Å; V33-L37 HydrophobicContact CG1-CD1 4.19Å; V33-L37 WeakPolarHBondContact O-CG 3.49Å; V33-L37 PolarHBondContact O-N 2.93Å; V33-L37 VanDerWaalsContact O-N 3.17Å; D34-L37 PolarHBondContact O-N 3.05Å; L35-L37 VanDerWaalsContact C-N 3.3Å; L35-L37 PolarHBondContact O-N 3.19Å; L37-R40 PolarHBondContact O-N 3.36Å; L37-A41 WeakPolarHBondContact O-CB 3.34Å; L37-A41 PolarHBondContact O-N 3.42Å |
| 38 | E | 96.7 | Very high | 95 | Very high | 135 Ų | 135 | 51 Ų | 51 | 63% | 0.631 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.4 | -49.6 | 174.4 | -73.8 | 179.1 | -178.5 | 0 | 0 | 111.7 | D34 L35 R40 A41 E42 | D34-E38 WeakPolarHBondContact O-CG 3.24Å; D34-E38 PolarHBondContact O-N 3.24Å; L35-E38 PolarHBondContact O-N 2.94Å; E38-R40 VanDerWaalsContact C-N 3.28Å; E38-R40 PolarHBondContact O-N 2.95Å; E38-A41 WeakPolarHBondContact O-CB 3.33Å; E38-A41 PolarHBondContact O-N 3.06Å; E38-A41 VanDerWaalsContact O-N 3.09Å; E38-E42 PolarHBondContact O-N 3.39Å |
| 39 | L | 96.6 | Very high | 95.2 | Very high | 16 Ų | 16 | 54.5 Ų | 54.5 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60 | -36.9 | 176 | -70.8 | 169.8 | 0 | 0 | 0 | 112 | L35 V43 C173 L176 E177 I180 | L35-L39 HydrophobicContact CD1-CD1 3.96Å; L35-L39 HydrophobicContact CD1-CG 3.94Å; L35-L39 HydrophobicContact CD2-CD1 4.49Å; L35-L39 HydrophobicContact CG-CD1 3.81Å; L35-L39 HydrophobicContact CG-CG 4.26Å; L35-L39 WeakPolarHBondContact O-CB 3.47Å; L35-L39 VanDerWaalsContact O-CG 3.22Å; L35-L39 WeakPolarHBondContact O-CG 3.5Å; L35-L39 PolarHBondContact O-N 3.28Å; L39-V43 WeakPolarHBondContact O-CB 3.48Å; L39-V43 WeakPolarHBondContact O-CG2 3.42Å; L39-V43 PolarHBondContact O-N 2.92Å; L39-C173 HydrophobicContact CD1-CB 3.85Å; L39-L176 HydrophobicContact CB-CB 3.88Å; L39-L176 HydrophobicContact CB-CD1 3.87Å; L39-L176 HydrophobicContact CB-CG 4.48Å; L39-L176 HydrophobicContact CD1-CB 4.43Å; L39-E177 HydrophobicContact CD1-CG 3.88Å; L39-E177 HydrophobicContact CD2-CG 3.94Å; L39-I180 HydrophobicContact CD2-CD1 3.51Å |
| 40 | R | 94.4 | Very high | 95.1 | Very high | 51 Ų | 51 | 53.7 Ų | 53.7 | 19% | 0.192 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.8 | -37.5 | 173.7 | -81.3 | 176.1 | 166.7 | -94.2 | 5.5 | 112.9 | S5 P6 S7 S36 L37 E38 A44 E172 L176 | S5-R40 PolarHBondContact O-NH1 3.14Å; P6-R40 PolarHBondContact O-NH1 2.98Å; P6-R40 PolarHBondContact O-NH2 2.94Å; S7-R40 VanDerWaalsContact CB-CD 3.43Å; S36-R40 WeakPolarHBondContact O-CB 3.4Å; S36-R40 VanDerWaalsContact O-CG 3.25Å; S36-R40 WeakPolarHBondContact O-CG 3.35Å; S36-R40 PolarHBondContact O-N 2.92Å; L37-R40 PolarHBondContact O-N 3.36Å; E38-R40 VanDerWaalsContact C-N 3.28Å; E38-R40 PolarHBondContact O-N 2.95Å; R40-A44 WeakPolarHBondContact O-CB 3.3Å; R40-A44 PolarHBondContact O-N 2.83Å; R40-E172 IonicContact CZ-OE1 2.71Å; R40-E172 IonicContact CZ-OE2 3.97Å; R40-E172 IonicContact NE-OE1 2.75Å; R40-E172 PolarHBondContact NE-OE1 3.1Å; R40-E172 IonicContact NE-OE2 3.09Å; R40-E172 PolarHBondContact NE-OE2 3.35Å; R40-E172 VanDerWaalsContact NH2-CD 3.35Å; R40-E172 IonicContact NH2-OE1 2.77Å; R40-E172 IonicContact NH2-OE2 2.68Å; R40-E172 PolarHBondContact NH2-OE2 2.97Å; R40-L176 HydrophobicContact CG-CD1 3.59Å; R40-L176 HydrophobicContact CG-CD2 3.9Å; R40-L176 HydrophobicContact CG-CG 4.42Å |
| 41 | A | 95.1 | Very high | 94.9 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 51% | 0.512 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L37 E38 A44 M45 | L37-A41 WeakPolarHBondContact O-CB 3.34Å; L37-A41 PolarHBondContact O-N 3.42Å; E38-A41 WeakPolarHBondContact O-CB 3.33Å; E38-A41 PolarHBondContact O-N 3.06Å; E38-A41 VanDerWaalsContact O-N 3.09Å; A41-A44 PolarHBondContact O-N 3.41Å; A41-M45 WeakPolarHBondContact O-CB 3.21Å; A41-M45 PolarHBondContact O-N 3.07Å |
| 42 | E | 96.4 | Very high | 94.7 | Very high | 63 Ų | 63 | 55.9 Ų | 55.9 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.8 | -51.3 | 173.4 | -173.4 | 178.3 | 169.6 | 0 | 0 | 111.3 | E38 A44 M45 L46 I180 Q184 | E38-E42 PolarHBondContact O-N 3.39Å; E42-A44 VanDerWaalsContact C-N 3.27Å; E42-A44 PolarHBondContact O-N 3.05Å; E42-M45 HydrophobicContact CG-CE 4.46Å; E42-M45 WeakPolarHBondContact O-CB 2.86Å; E42-M45 PolarHBondContact O-N 3.07Å; E42-M45 VanDerWaalsContact O-N 3.09Å; E42-L46 HydrophobicContact CG-CD1 3.77Å; E42-L46 HydrophobicContact CG-CG 4.03Å; E42-L46 WeakPolarHBondContact O-CB 3.43Å; E42-L46 WeakPolarHBondContact O-CG 3.3Å; E42-L46 PolarHBondContact O-N 3.17Å; E42-I180 HydrophobicContact CB-CD1 4.43Å; E42-I180 HydrophobicContact CG-CD1 4.38Å; E42-I180 HydrophobicContact CG-CG1 4.46Å; E42-I180 WeakPolarHBondContact OE1-CG2 3.34Å; E42-Q184 PolarHBondContact OE1-NE2 2.95Å; E42-Q184 VanDerWaalsContact OE1-NE2 3.1Å |
| 43 | V | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.8 | -37.8 | 178 | 165.3 | 0 | 0 | 0 | 0 | 111.9 | L39 R47 L176 I180 L183 | L39-V43 WeakPolarHBondContact O-CB 3.48Å; L39-V43 WeakPolarHBondContact O-CG2 3.42Å; L39-V43 PolarHBondContact O-N 2.92Å; V43-R47 VanDerWaalsContact O-CB 3.3Å; V43-R47 WeakPolarHBondContact O-CB 3.5Å; V43-R47 WeakPolarHBondContact O-CD 3.29Å; V43-R47 WeakPolarHBondContact O-CG 3.25Å; V43-R47 PolarHBondContact O-N 3.37Å; V43-L176 HydrophobicContact CB-CD2 4.15Å; V43-L176 HydrophobicContact CG1-CD2 4.24Å; V43-L176 HydrophobicContact CG2-CB 4.26Å; V43-L176 HydrophobicContact CG2-CD2 3.89Å; V43-I180 HydrophobicContact CG2-CD1 4.19Å; V43-I180 HydrophobicContact CG2-CG1 3.55Å; V43-L183 HydrophobicContact CB-CD1 4.44Å; V43-L183 HydrophobicContact CG1-CD1 4Å; V43-L183 HydrophobicContact CG2-CD1 4.36Å |
| 44 | A | 94.1 | Very high | 93.9 | Very high | 40 Ų | 40 | 60.1 Ų | 60.1 | 33% | 0.331 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R40 A41 E42 R47 A48 | R40-A44 WeakPolarHBondContact O-CB 3.3Å; R40-A44 PolarHBondContact O-N 2.83Å; A41-A44 PolarHBondContact O-N 3.41Å; E42-A44 VanDerWaalsContact C-N 3.27Å; E42-A44 PolarHBondContact O-N 3.05Å; A44-R47 PolarHBondContact O-N 3.34Å; A44-A48 WeakPolarHBondContact O-CB 3.48Å; A44-A48 PolarHBondContact O-N 3.02Å |
| 45 | M | 95.7 | Very high | 93.2 | Very high | 108 Ų | 108 | 60.4 Ų | 60.4 | 53% | 0.532 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.8 | -48 | 176.4 | 179.7 | 177.4 | 65.6 | 0 | 0 | 111.9 | A41 E42 R47 A48 L49 | A41-M45 WeakPolarHBondContact O-CB 3.21Å; A41-M45 PolarHBondContact O-N 3.07Å; E42-M45 HydrophobicContact CG-CE 4.46Å; E42-M45 WeakPolarHBondContact O-CB 2.86Å; E42-M45 PolarHBondContact O-N 3.07Å; E42-M45 VanDerWaalsContact O-N 3.09Å; M45-R47 PolarHBondContact O-N 2.94Å; M45-A48 WeakPolarHBondContact O-CB 3.41Å; M45-A48 PolarHBondContact O-N 3.26Å; M45-A48 VanDerWaalsContact O-N 3.14Å; M45-L49 HydrophobicContact CG-CD1 4.02Å; M45-L49 HydrophobicContact CG-CG 4.48Å; M45-L49 WeakPolarHBondContact O-CG 3.43Å; M45-L49 PolarHBondContact O-N 3.16Å |
| 46 | L | 95.8 | Very high | 91.9 | Very high | 14 Ų | 14 | 61.9 Ų | 61.9 | 7% | 0.073 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 177.8 | -67.7 | 172.5 | 0 | 0 | 0 | 111.4 | E42 A48 L50 I180 L183 Q184 L187 | E42-L46 HydrophobicContact CG-CD1 3.77Å; E42-L46 HydrophobicContact CG-CG 4.03Å; E42-L46 WeakPolarHBondContact O-CB 3.43Å; E42-L46 WeakPolarHBondContact O-CG 3.3Å; E42-L46 PolarHBondContact O-N 3.17Å; L46-A48 VanDerWaalsContact C-N 3.34Å; L46-A48 PolarHBondContact O-N 3.07Å; L46-L50 WeakPolarHBondContact O-CB 3.29Å; L46-L50 PolarHBondContact O-N 2.93Å; L46-I180 HydrophobicContact CD1-CB 4.36Å; L46-I180 HydrophobicContact CD1-CG1 4.21Å; L46-I180 HydrophobicContact CD1-CG2 4.07Å; L46-L183 HydrophobicContact CB-CB 3.98Å; L46-L183 HydrophobicContact CB-CD1 4.07Å; L46-L183 HydrophobicContact CD1-CB 4.15Å; L46-L183 HydrophobicContact CD1-CD1 4.45Å; L46-Q184 HydrophobicContact CD1-CG 3.98Å; L46-Q184 HydrophobicContact CD2-CG 3.97Å; L46-L187 HydrophobicContact CB-CD1 4.23Å; L46-L187 HydrophobicContact CD2-CD1 3.6Å |
| 47 | R | 93.9 | Very high | 90.4 | Very high | 90 Ų | 90 | 65.3 Ų | 65.3 | 34% | 0.34 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 173.7 | -73.3 | 167.4 | 176.9 | 170.7 | -7.8 | 112.2 | V43 A44 M45 Q51 E179 L183 | V43-R47 VanDerWaalsContact O-CB 3.3Å; V43-R47 WeakPolarHBondContact O-CB 3.5Å; V43-R47 WeakPolarHBondContact O-CD 3.29Å; V43-R47 WeakPolarHBondContact O-CG 3.25Å; V43-R47 PolarHBondContact O-N 3.37Å; A44-R47 PolarHBondContact O-N 3.34Å; M45-R47 PolarHBondContact O-N 2.94Å; R47-Q51 WeakPolarHBondContact O-CB 3.07Å; R47-Q51 PolarHBondContact O-N 2.87Å; R47-E179 IonicContact CZ-OE1 3.33Å; R47-E179 IonicContact CZ-OE2 2.9Å; R47-E179 IonicContact NE-OE1 3.67Å; R47-E179 PolarHBondContact NE-OE1 2.86Å; R47-E179 IonicContact NH2-OE1 3.34Å; R47-E179 PolarHBondContact NH2-OE1 3.45Å; R47-E179 IonicContact NH2-OE2 2.87Å; R47-E179 PolarHBondContact NH2-OE2 3.11Å; R47-L183 HydrophobicContact CG-CD1 3.84Å; R47-L183 HydrophobicContact CG-CD2 3.81Å |
| 48 | A | 93.8 | Very high | 88.3 | Confident | 57 Ų | 57 | 64.7 Ų | 64.7 | 47% | 0.471 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.2 | -48.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A44 M45 L46 L50 Q51 E52 | A44-A48 WeakPolarHBondContact O-CB 3.48Å; A44-A48 PolarHBondContact O-N 3.02Å; M45-A48 WeakPolarHBondContact O-CB 3.41Å; M45-A48 PolarHBondContact O-N 3.26Å; M45-A48 VanDerWaalsContact O-N 3.14Å; L46-A48 VanDerWaalsContact C-N 3.34Å; L46-A48 PolarHBondContact O-N 3.07Å; A48-L50 VanDerWaalsContact C-N 3.28Å; A48-L50 PolarHBondContact O-N 3.42Å; A48-Q51 CarbonylContact O-C 3.58Å; A48-Q51 WeakPolarHBondContact O-CB 3.49Å; A48-Q51 PolarHBondContact O-N 3.24Å; A48-E52 WeakPolarHBondContact O-CB 3.46Å; A48-E52 PolarHBondContact O-N 2.93Å |
| 49 | L | 94.4 | Very high | 86.2 | Confident | 78 Ų | 78 | 65 Ų | 65 | 41% | 0.408 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 174.3 | -68.8 | 169.5 | 0 | 0 | 0 | 111.8 | M45 E52 A53 L187 | M45-L49 HydrophobicContact CG-CD1 4.02Å; M45-L49 HydrophobicContact CG-CG 4.48Å; M45-L49 WeakPolarHBondContact O-CG 3.43Å; M45-L49 PolarHBondContact O-N 3.16Å; L49-E52 PolarHBondContact O-N 3.4Å; L49-A53 WeakPolarHBondContact O-CB 3.15Å; L49-A53 PolarHBondContact O-N 3.1Å; L49-L187 HydrophobicContact CB-CD1 4.45Å; L49-L187 HydrophobicContact CB-CD2 3.89Å |
| 50 | L | 92.6 | Very high | 83.8 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 6% | 0.058 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.8 | -36.1 | 178.3 | -175.3 | 63 | 0 | 0 | 0 | 111.6 | L46 A48 R54 L183 C186 L187 E190 | L46-L50 WeakPolarHBondContact O-CB 3.29Å; L46-L50 PolarHBondContact O-N 2.93Å; A48-L50 VanDerWaalsContact C-N 3.28Å; A48-L50 PolarHBondContact O-N 3.42Å; L50-R54 WeakPolarHBondContact O-CB 3.34Å; L50-R54 WeakPolarHBondContact O-CD 3.47Å; L50-R54 VanDerWaalsContact O-CG 3.27Å; L50-R54 WeakPolarHBondContact O-CG 3.41Å; L50-R54 PolarHBondContact O-N 3.49Å; L50-R54 VanDerWaalsContact O-N 3.17Å; L50-L183 HydrophobicContact CD2-CD2 4.02Å; L50-C186 HydrophobicContact CD1-CB 4.14Å; L50-C186 HydrophobicContact CD2-CB 4.03Å; L50-L187 HydrophobicContact CB-CD2 3.93Å; L50-L187 HydrophobicContact CB-CG 4.11Å; L50-L187 HydrophobicContact CD1-CD2 4.15Å; L50-L187 HydrophobicContact CD1-CG 4.11Å; L50-E190 HydrophobicContact CD1-CB 4.48Å; L50-E190 HydrophobicContact CD1-CG 3.63Å |
| 51 | Q | 91.1 | Very high | 81.4 | Confident | 107 Ų | 107 | 70.9 Ų | 70.9 | 50% | 0.5 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69 | -38 | 172.1 | -176.5 | 60.7 | 44.4 | 0 | 0 | 111.3 | R47 A48 S55 | R47-Q51 WeakPolarHBondContact O-CB 3.07Å; R47-Q51 PolarHBondContact O-N 2.87Å; A48-Q51 CarbonylContact O-C 3.58Å; A48-Q51 WeakPolarHBondContact O-CB 3.49Å; A48-Q51 PolarHBondContact O-N 3.24Å; Q51-S55 PolarHBondContact NE2-OG 2.98Å; Q51-S55 VanDerWaalsContact O-CB 3.28Å; Q51-S55 WeakPolarHBondContact O-CB 3.39Å; Q51-S55 PolarHBondContact O-N 2.95Å; Q51-S55 PolarHBondContact O-OG 2.85Å |
| 52 | E | 90.4 | Very high | 78.9 | Confident | 123 Ų | 123 | 78.8 Ų | 78.8 | 58% | 0.575 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.2 | -52.8 | 175.9 | -174 | 178.5 | 167.4 | 0 | 0 | 111.3 | A48 L49 R54 S55 S56 | A48-E52 WeakPolarHBondContact O-CB 3.46Å; A48-E52 PolarHBondContact O-N 2.93Å; L49-E52 PolarHBondContact O-N 3.4Å; E52-R54 VanDerWaalsContact C-N 3.28Å; E52-R54 PolarHBondContact O-N 2.63Å; E52-S55 CarbonylContact O-C 3.59Å; E52-S55 WeakPolarHBondContact O-CA 3.44Å; E52-S55 PolarHBondContact O-N 3.31Å; E52-S56 PolarHBondContact O-N 2.7Å; E52-S56 PolarHBondContact O-OG 2.84Å |
| 53 | A | 87.1 | Confident | 76.4 | Confident | 26 Ų | 26 | 81.9 Ų | 81.9 | 22% | 0.215 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -54.6 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L49 S56 Q57 | L49-A53 WeakPolarHBondContact O-CB 3.15Å; L49-A53 PolarHBondContact O-N 3.1Å; A53-S56 PolarHBondContact O-N 3.5Å; A53-Q57 PolarHBondContact O-N 3.45Å; A53-Q57 VanDerWaalsContact O-N 3.13Å |
| 54 | R | 86.1 | Confident | 73.6 | Confident | 97 Ų | 97 | 89.3 Ų | 89.3 | 37% | 0.366 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.9 | -34.2 | 174.4 | -76.3 | 172.7 | 173.1 | 154.2 | 6.8 | 113.6 | L50 E52 Q57 A58 E190 | L50-R54 WeakPolarHBondContact O-CB 3.34Å; L50-R54 WeakPolarHBondContact O-CD 3.47Å; L50-R54 VanDerWaalsContact O-CG 3.27Å; L50-R54 WeakPolarHBondContact O-CG 3.41Å; L50-R54 PolarHBondContact O-N 3.49Å; L50-R54 VanDerWaalsContact O-N 3.17Å; E52-R54 VanDerWaalsContact C-N 3.28Å; E52-R54 PolarHBondContact O-N 2.63Å; R54-Q57 PolarHBondContact O-N 2.96Å; R54-A58 WeakPolarHBondContact O-CB 3.22Å; R54-A58 PolarHBondContact O-N 3.26Å; R54-E190 HydrophobicContact CG-CG 4.17Å; R54-E190 VanDerWaalsContact CG-OE2 3.3Å; R54-E190 WeakPolarHBondContact CG-OE2 3.48Å; R54-E190 IonicContact CZ-OE1 2.96Å; R54-E190 IonicContact NE-OE1 3.45Å; R54-E190 PolarHBondContact NE-OE1 2.82Å; R54-E190 IonicContact NE-OE2 3.64Å; R54-E190 IonicContact NH2-OE1 3.22Å; R54-E190 PolarHBondContact NH2-OE1 2.93Å |
| 55 | S | 80 | Confident | 71.1 | Confident | 62 Ų | 62 | 92.8 Ų | 92.8 | 43% | 0.434 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72 | -36.9 | 177.4 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | Q51 E52 Q57 A58 | Q51-S55 PolarHBondContact NE2-OG 2.98Å; Q51-S55 VanDerWaalsContact O-CB 3.28Å; Q51-S55 WeakPolarHBondContact O-CB 3.39Å; Q51-S55 PolarHBondContact O-N 2.95Å; Q51-S55 PolarHBondContact O-OG 2.85Å; E52-S55 CarbonylContact O-C 3.59Å; E52-S55 WeakPolarHBondContact O-CA 3.44Å; E52-S55 PolarHBondContact O-N 3.31Å; S55-Q57 VanDerWaalsContact C-N 3.28Å; S55-Q57 PolarHBondContact O-N 3.4Å; S55-A58 PolarHBondContact O-N 3.08Å |
| 56 | S | 69.8 | Low | 68.3 | Low | 101 Ų | 101 | 92.4 Ų | 92.4 | 71% | 0.706 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.7 | -23.9 | 172.8 | -61 | 0 | 0 | 0 | 0 | 113.2 | E52 A53 | E52-S56 PolarHBondContact O-N 2.7Å; E52-S56 PolarHBondContact O-OG 2.84Å; A53-S56 PolarHBondContact O-N 3.5Å |
| 57 | Q | 62.9 | Low | 65.8 | Low | 72 Ų | 72 | 97 Ų | 97 | 34% | 0.336 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -91.4 | -10.4 | 170.6 | -70 | -176.1 | 31.7 | 0 | 0 | 113.8 | A53 R54 S55 P59 E190 | A53-Q57 PolarHBondContact O-N 3.45Å; A53-Q57 VanDerWaalsContact O-N 3.13Å; R54-Q57 PolarHBondContact O-N 2.96Å; S55-Q57 VanDerWaalsContact C-N 3.28Å; S55-Q57 PolarHBondContact O-N 3.4Å; Q57-P59 WeakPolarHBondContact O-CD 3.2Å; Q57-E190 PolarHBondContact NE2-O 3.22Å |
| 58 | A | 51.5 | Low | 63.3 | Low | 44 Ų | 44 | 96.6 Ų | 96.6 | 36% | 0.364 | 56% | 0.561 | S | S | . | * | trans | -80.9 | 118.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R54 S55 S60 | R54-A58 WeakPolarHBondContact O-CB 3.22Å; R54-A58 PolarHBondContact O-N 3.26Å; S55-A58 PolarHBondContact O-N 3.08Å; A58-S60 PolarHBondContact O-N 2.96Å | ||
| 59 | P | 52 | Low | 60.7 | Low | 143 Ų | 143 | 96.9 Ų | 96.9 | 93% | 0.929 | 56% | 0.56 | S | S | * | * | trans | -78.5 | 44.6 | -177.6 | 34.5 | -37.3 | 0 | 0 | 0 | 112.4 | Q57 | Q57-P59 WeakPolarHBondContact O-CD 3.2Š| ||
| 60 | S | 46.2 | Very low | 58.3 | Low | 81 Ų | 81 | 101 Ų | 101 | 57% | 0.566 | 58% | 0.582 | S | S | * | * | trans | -137.6 | 100.5 | -173 | 61 | 0 | 0 | 0 | 0 | 113.5 | A58 | A58-S60 PolarHBondContact O-N 2.96Š| ||
| 61 | S | 44.6 | Very low | 56.2 | Low | 108 Ų | 108 | 108.3 Ų | 108.3 | 76% | 0.755 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 58.9 | 78.7 | 150.3 | 62.6 | 0 | 0 | 0 | 0 | 119.3 | ||
| 62 | R | 42.2 | Very low | 54.3 | Low | 228 Ų | 228 | 106.1 Ų | 106.1 | 86% | 0.86 | 62% | 0.62 | S | S | * | * | -173.8 | 152.2 | 108.9 | -97.5 | 161.1 | -170.8 | -153.5 | 0.5 | 111.8 | I64 | R62-I64 PolarHBondContact O-N 3.39Å; R62-I64 VanDerWaalsContact O-N 3.15Å | |||
| 63 | P | 44 | Very low | 52.2 | Low | 129 Ų | 129 | 102.3 Ų | 102.3 | 84% | 0.838 | 61% | 0.606 | S | S | * | * | trans | -82 | 93.6 | -175.5 | 32.6 | -33.7 | 0 | 0 | 0 | 111.2 | ||||
| 64 | I | 37.1 | Very low | 50.5 | Low | 157 Ų | 157 | 105.2 Ų | 105.2 | 81% | 0.805 | 62% | 0.623 | S | S | * | * | trans | -101.6 | 125.9 | 165.9 | -57.4 | -177.6 | 0 | 0 | 0 | 107.8 | R62 D66 | R62-I64 PolarHBondContact O-N 3.39Å; R62-I64 VanDerWaalsContact O-N 3.15Å; I64-D66 PolarHBondContact O-N 3.22Å | ||
| 65 | S | 43 | Very low | 49.2 | Very low | 112 Ų | 112 | 105.3 Ų | 105.3 | 78% | 0.783 | 64% | 0.636 | S | S | * | * | trans | -58.7 | 88.5 | -165.1 | -51.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 66 | D | 34.9 | Very low | 48.2 | Very low | 101 Ų | 101 | 108.8 Ų | 108.8 | 54% | 0.54 | 65% | 0.649 | S | S | . | * | trans | -58.2 | 137.4 | 162.8 | -139.4 | -15.2 | 0 | 0 | 0 | 109.3 | I64 S68 S69 | I64-D66 PolarHBondContact O-N 3.22Å; D66-S68 PolarHBondContact O-N 2.96Å; D66-S68 VanDerWaalsContact O-N 3.1Å; D66-S69 WeakPolarHBondContact O-CB 3.32Å; D66-S69 PolarHBondContact O-N 3.25Å; D66-S69 PolarHBondContact O-OG 2.99Å | ||
| 67 | P | 43.9 | Very low | 48 | Very low | 111 Ų | 111 | 107.4 Ų | 107.4 | 72% | 0.721 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -60 | -21.7 | 175.3 | 22.6 | -34 | 0 | 0 | 0 | 113 | S69 | P67-S69 PolarHBondContact O-N 3.18Š|
| 68 | S | 41.4 | Very low | 48.2 | Very low | 80 Ų | 80 | 108.4 Ų | 108.4 | 56% | 0.559 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -63 | -15.4 | 170.5 | -56.1 | 0 | 0 | 0 | 0 | 113.9 | D66 L70 L71 | D66-S68 PolarHBondContact O-N 2.96Å; D66-S68 VanDerWaalsContact O-N 3.1Å; S68-L70 PolarHBondContact O-N 2.69Å; S68-L70 VanDerWaalsContact O-N 3.09Å; S68-L71 PolarHBondContact O-N 2.93Å; S68-L71 VanDerWaalsContact O-N 3.08Å |
| 69 | S | 40 | Very low | 49.1 | Very low | 64 Ų | 64 | 109.8 Ų | 109.8 | 45% | 0.448 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -60.3 | -19.1 | 178 | -56.2 | 0 | 0 | 0 | 0 | 113.4 | D66 P67 L71 A72 | D66-S69 WeakPolarHBondContact O-CB 3.32Å; D66-S69 PolarHBondContact O-N 3.25Å; D66-S69 PolarHBondContact O-OG 2.99Å; P67-S69 PolarHBondContact O-N 3.18Å; S69-L71 PolarHBondContact O-N 3.05Å; S69-A72 PolarHBondContact O-N 3.39Å |
| 70 | L | 44.4 | Very low | 50.2 | Low | 164 Ų | 164 | 106.8 Ų | 106.8 | 86% | 0.859 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -67 | -10.5 | 173.9 | -88 | 165.1 | 0 | 0 | 0 | 114.6 | S68 | S68-L70 PolarHBondContact O-N 2.69Å; S68-L70 VanDerWaalsContact O-N 3.09Å |
| 71 | L | 47.2 | Very low | 51.6 | Low | 164 Ų | 164 | 104.5 Ų | 104.5 | 86% | 0.859 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -113.7 | -6 | 176 | -66.7 | 174 | 0 | 0 | 0 | 113.7 | S68 S69 | S68-L71 PolarHBondContact O-N 2.93Å; S68-L71 VanDerWaalsContact O-N 3.08Å; S69-L71 PolarHBondContact O-N 3.05Å |
| 72 | A | 50.9 | Low | 53.1 | Low | 62 Ų | 62 | 102.1 Ų | 102.1 | 51% | 0.512 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -82.4 | 136.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S69 | S69-A72 PolarHBondContact O-N 3.39Š|
| 73 | P | 48 | Very low | 54.6 | Low | 42 Ų | 42 | 97 Ų | 97 | 27% | 0.273 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 136 | 174.4 | -19.9 | 31.4 | 0 | 0 | 0 | 111 | L77 L206 | P73-L77 HydrophobicContact CB-CD2 3.99Å; P73-L206 HydrophobicContact CG-CD1 4.04Å; P73-L206 HydrophobicContact CG-CD2 3.49Å; P73-L206 VanDerWaalsContact CG-CD2 3.49Å; P73-L206 HydrophobicContact CG-CG 4.36Å |
| 74 | P | 51.2 | Low | 56.2 | Low | 87 Ų | 87 | 93.5 Ų | 93.5 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 145.8 | 179.4 | -28.5 | 35.4 | 0 | 0 | 0 | 112.6 | L76 L77 | P74-L76 PolarHBondContact O-N 2.9Å; P74-L76 VanDerWaalsContact O-N 3.14Å; P74-L77 WeakPolarHBondContact O-CB 3.38Å; P74-L77 PolarHBondContact O-N 3.25Å |
| 75 | P | 58.4 | Low | 58.3 | Low | 99 Ų | 99 | 86.9 Ų | 86.9 | 64% | 0.643 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56.7 | -35.2 | -177.8 | 21.6 | -32.8 | 0 | 0 | 0 | 112.3 | L77 K78 D79 | P75-L77 PolarHBondContact O-N 2.97Å; P75-L77 VanDerWaalsContact O-N 3.09Å; P75-K78 CarbonylContact O-C 3.6Å; P75-K78 WeakPolarHBondContact O-CA 3.16Å; P75-K78 WeakPolarHBondContact O-CB 3.42Å; P75-K78 PolarHBondContact O-N 3.11Å; P75-D79 PolarHBondContact O-N 2.68Å |
| 76 | L | 59.3 | Low | 60 | Low | 136 Ų | 136 | 85.6 Ų | 85.6 | 71% | 0.712 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -49.5 | -35.1 | 171.8 | -172.5 | 68.6 | 0 | 0 | 0 | 113.4 | P74 L80 | P74-L76 PolarHBondContact O-N 2.9Å; P74-L76 VanDerWaalsContact O-N 3.14Å; L76-L80 WeakPolarHBondContact O-CB 3.2Å; L76-L80 PolarHBondContact O-N 2.88Å |
| 77 | L | 65.3 | Low | 62 | Low | 72 Ų | 72 | 86.3 Ų | 86.3 | 38% | 0.377 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -76.1 | -37.4 | 175.7 | -170.7 | 69.3 | 0 | 0 | 0 | 112.1 | P73 P74 P75 D79 L81 | P73-L77 HydrophobicContact CB-CD2 3.99Å; P74-L77 WeakPolarHBondContact O-CB 3.38Å; P74-L77 PolarHBondContact O-N 3.25Å; P75-L77 PolarHBondContact O-N 2.97Å; P75-L77 VanDerWaalsContact O-N 3.09Å; L77-D79 VanDerWaalsContact C-N 3.31Å; L77-L81 HydrophobicContact CG-CD1 4.03Å; L77-L81 HydrophobicContact CG-CG 4.46Å; L77-L81 VanDerWaalsContact O-CB 3.22Å; L77-L81 WeakPolarHBondContact O-CB 3.47Å; L77-L81 WeakPolarHBondContact O-CD1 3.35Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 2.91Å |
| 78 | K | 66.2 | Low | 63.8 | Low | 92 Ų | 92 | 82.4 Ų | 82.4 | 40% | 0.4 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 172.6 | -76.1 | -166.5 | 173.2 | -168.3 | 0 | 110.7 | P75 R82 E203 | P75-K78 CarbonylContact O-C 3.6Å; P75-K78 WeakPolarHBondContact O-CA 3.16Å; P75-K78 WeakPolarHBondContact O-CB 3.42Å; P75-K78 PolarHBondContact O-N 3.11Å; K78-R82 WeakPolarHBondContact O-CB 3.45Å; K78-R82 PolarHBondContact O-N 2.88Å; K78-E203 IonicContact NZ-OE2 3.43Å |
| 79 | D | 71.2 | Confident | 65.7 | Low | 73 Ų | 73 | 78.9 Ų | 78.9 | 39% | 0.39 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -73.4 | -41.3 | 179 | -62.1 | -37.5 | 0 | 0 | 0 | 112.5 | P75 L77 R82 Q83 | P75-D79 PolarHBondContact O-N 2.68Å; L77-D79 VanDerWaalsContact C-N 3.31Å; D79-R82 WeakPolarHBondContact O-CB 3.27Å; D79-R82 PolarHBondContact O-N 2.81Å; D79-R82 IonicContact OD1-CZ 3.17Å; D79-R82 IonicContact OD1-NH1 2.85Å; D79-R82 PolarHBondContact OD1-NH1 3.22Å; D79-R82 IonicContact OD1-NH2 2.68Å; D79-R82 PolarHBondContact OD1-NH2 3.27Å; D79-Q83 PolarHBondContact O-N 3.14Å |
| 80 | L | 75 | Confident | 67.5 | Low | 80 Ų | 80 | 81.1 Ų | 81.1 | 42% | 0.419 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 172.4 | -176.2 | 149.8 | 0 | 0 | 0 | 111.4 | L76 R82 Q83 E84 | L76-L80 WeakPolarHBondContact O-CB 3.2Å; L76-L80 PolarHBondContact O-N 2.88Å; L80-R82 VanDerWaalsContact C-N 3.29Å; L80-R82 PolarHBondContact O-N 2.71Å; L80-Q83 WeakPolarHBondContact O-CB 3.3Å; L80-Q83 PolarHBondContact O-N 3.09Å; L80-Q83 VanDerWaalsContact O-N 3.08Å; L80-E84 HydrophobicContact CD2-CG 4.04Å; L80-E84 WeakPolarHBondContact O-CG 3.43Å; L80-E84 PolarHBondContact O-N 2.88Å |
| 81 | L | 74.5 | Confident | 69.1 | Low | 34 Ų | 34 | 74.8 Ų | 74.8 | 18% | 0.178 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.4 | -36.2 | 172.9 | -76.8 | 165.7 | 0 | 0 | 0 | 111.7 | L77 Q83 E84 L85 K213 | L77-L81 HydrophobicContact CG-CD1 4.03Å; L77-L81 HydrophobicContact CG-CG 4.46Å; L77-L81 VanDerWaalsContact O-CB 3.22Å; L77-L81 WeakPolarHBondContact O-CB 3.47Å; L77-L81 WeakPolarHBondContact O-CD1 3.35Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 2.91Å; L81-Q83 VanDerWaalsContact C-N 3.34Å; L81-E84 WeakPolarHBondContact CD2-OE2 3.34Å; L81-E84 PolarHBondContact O-N 2.85Å; L81-L85 VanDerWaalsContact O-CB 3.3Å; L81-L85 WeakPolarHBondContact O-CB 3.39Å; L81-L85 WeakPolarHBondContact O-CG 3.46Å; L81-L85 PolarHBondContact O-N 2.9Å; L81-K213 HydrophobicContact CD2-CD 3.98Å |
| 82 | R | 76.1 | Confident | 70.8 | Confident | 57 Ų | 57 | 67.4 Ų | 67.4 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 172.7 | -161.7 | -171.5 | -60.2 | 102.8 | 2 | 111.4 | K78 D79 L80 R86 F117 | K78-R82 WeakPolarHBondContact O-CB 3.45Å; K78-R82 PolarHBondContact O-N 2.88Å; D79-R82 WeakPolarHBondContact O-CB 3.27Å; D79-R82 PolarHBondContact O-N 2.81Å; D79-R82 IonicContact OD1-CZ 3.17Å; D79-R82 IonicContact OD1-NH1 2.85Å; D79-R82 PolarHBondContact OD1-NH1 3.22Å; D79-R82 IonicContact OD1-NH2 2.68Å; D79-R82 PolarHBondContact OD1-NH2 3.27Å; L80-R82 VanDerWaalsContact C-N 3.29Å; L80-R82 PolarHBondContact O-N 2.71Å; R82-R86 WeakPolarHBondContact O-CB 3.2Å; R82-R86 VanDerWaalsContact O-CG 3.24Å; R82-R86 WeakPolarHBondContact O-CG 3.39Å; R82-R86 PolarHBondContact O-N 3.39Å; R82-F117 HydrophobicContact CB-CE1 3.9Å; R82-F117 HydrophobicContact CB-CZ 4.44Å; R82-F117 WeakPolarHBondContact CD-O 3.31Å; R82-F117 HydrophobicContact CG-CD1 4.26Å; R82-F117 HydrophobicContact CG-CE1 4Å; R82-F117 WeakPolarHBondContact CG-O 3.3Å; R82-F117 PolarHBondContact NE-O 3.14Å |
| 83 | Q | 75.6 | Confident | 72 | Confident | 120 Ų | 120 | 66.9 Ų | 66.9 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -68.5 | -42.1 | 177 | -169.6 | 173.4 | 11.5 | 0 | 0 | 112.3 | D79 L80 L81 R86 Q87 | D79-Q83 PolarHBondContact O-N 3.14Å; L80-Q83 WeakPolarHBondContact O-CB 3.3Å; L80-Q83 PolarHBondContact O-N 3.09Å; L80-Q83 VanDerWaalsContact O-N 3.08Å; L81-Q83 VanDerWaalsContact C-N 3.34Å; Q83-R86 WeakPolarHBondContact O-CB 3.45Å; Q83-R86 PolarHBondContact O-N 3.13Å; Q83-Q87 WeakPolarHBondContact O-CG 3.33Å; Q83-Q87 PolarHBondContact O-N 2.66Å |
| 84 | E | 77.6 | Confident | 73.3 | Confident | 57 Ų | 57 | 70.5 Ų | 70.5 | 27% | 0.266 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 172 | -70.4 | -178.7 | 140.2 | 0 | 0 | 111.2 | L80 L81 R86 Q87 L88 K213 | L80-E84 HydrophobicContact CD2-CG 4.04Å; L80-E84 WeakPolarHBondContact O-CG 3.43Å; L80-E84 PolarHBondContact O-N 2.88Å; L81-E84 WeakPolarHBondContact CD2-OE2 3.34Å; L81-E84 PolarHBondContact O-N 2.85Å; E84-R86 VanDerWaalsContact C-N 3.31Å; E84-R86 PolarHBondContact O-N 2.87Å; E84-Q87 WeakPolarHBondContact O-CB 3.14Å; E84-Q87 PolarHBondContact O-N 2.81Å; E84-Q87 VanDerWaalsContact O-N 3.07Å; E84-L88 VanDerWaalsContact O-CG 3.3Å; E84-L88 WeakPolarHBondContact O-CG 3.28Å; E84-L88 PolarHBondContact O-N 3.37Å; E84-K213 IonicContact OE1-NZ 2.81Å; E84-K213 PolarHBondContact OE1-NZ 3.19Å; E84-K213 IonicContact OE2-NZ 3.72Å; E84-K213 PolarHBondContact OE2-NZ 2.98Å |
| 85 | L | 80.1 | Confident | 74.5 | Confident | 18 Ų | 18 | 68.8 Ų | 68.8 | 9% | 0.094 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 176.7 | -75.5 | 167.8 | 0 | 0 | 0 | 112 | L81 L88 L89 V114 A118 M216 | L81-L85 VanDerWaalsContact O-CB 3.3Å; L81-L85 WeakPolarHBondContact O-CB 3.39Å; L81-L85 WeakPolarHBondContact O-CG 3.46Å; L81-L85 PolarHBondContact O-N 2.9Å; L85-L88 PolarHBondContact O-N 3.43Å; L85-L89 WeakPolarHBondContact O-CB 3.49Å; L85-L89 VanDerWaalsContact O-CG 3.25Å; L85-L89 WeakPolarHBondContact O-CG 3.2Å; L85-L89 PolarHBondContact O-N 2.82Å; L85-V114 HydrophobicContact CD1-CG1 4.01Å; L85-V114 HydrophobicContact CD2-CG1 4.21Å; L85-A118 HydrophobicContact CB-CB 4.31Å; L85-M216 HydrophobicContact CD2-SD 3.96Å |
| 86 | R | 77.9 | Confident | 75.4 | Confident | 85 Ų | 85 | 64 Ų | 64 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.4 | -46.3 | 171.6 | -76.3 | 167.1 | 178.2 | -176.9 | -3.1 | 111.5 | R82 Q83 E84 Q90 A118 E120 | R82-R86 WeakPolarHBondContact O-CB 3.2Å; R82-R86 VanDerWaalsContact O-CG 3.24Å; R82-R86 WeakPolarHBondContact O-CG 3.39Å; R82-R86 PolarHBondContact O-N 3.39Å; Q83-R86 WeakPolarHBondContact O-CB 3.45Å; Q83-R86 PolarHBondContact O-N 3.13Å; E84-R86 VanDerWaalsContact C-N 3.31Å; E84-R86 PolarHBondContact O-N 2.87Å; R86-Q90 WeakPolarHBondContact O-CB 3.4Å; R86-Q90 WeakPolarHBondContact O-CG 3.46Å; R86-Q90 PolarHBondContact O-N 3.25Å; R86-A118 WeakPolarHBondContact CG-O 3.4Å; R86-A118 VanDerWaalsContact CZ-O 3.29Å; R86-A118 PolarHBondContact NE-O 3.29Å; R86-A118 PolarHBondContact NH2-O 2.83Å; R86-E120 PolarHBondContact NH2-O 3.38Å |
| 87 | Q | 77.6 | Confident | 76.1 | Confident | 116 Ų | 116 | 62.4 Ų | 62.4 | 54% | 0.542 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 178.5 | -71.4 | 174.1 | -14 | 0 | 0 | 112.6 | Q83 E84 Q90 G91 | Q83-Q87 WeakPolarHBondContact O-CG 3.33Å; Q83-Q87 PolarHBondContact O-N 2.66Å; E84-Q87 WeakPolarHBondContact O-CB 3.14Å; E84-Q87 PolarHBondContact O-N 2.81Å; E84-Q87 VanDerWaalsContact O-N 3.07Å; Q87-Q90 PolarHBondContact O-N 3.1Å; Q87-G91 PolarHBondContact O-N 3.45Å |
| 88 | L | 81.3 | Confident | 76.6 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 15% | 0.147 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 176.5 | -66.8 | 168.7 | 0 | 0 | 0 | 111.4 | E84 L85 Q90 G91 L92 M216 L220 | E84-L88 VanDerWaalsContact O-CG 3.3Å; E84-L88 WeakPolarHBondContact O-CG 3.28Å; E84-L88 PolarHBondContact O-N 3.37Å; L85-L88 PolarHBondContact O-N 3.43Å; L88-Q90 VanDerWaalsContact C-N 3.34Å; L88-Q90 PolarHBondContact O-N 2.91Å; L88-G91 PolarHBondContact O-N 3.15Å; L88-L92 WeakPolarHBondContact O-CB 3.22Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 2.88Å; L88-M216 HydrophobicContact CB-CE 4.25Å; L88-L220 HydrophobicContact CD2-CD1 3.48Å; L88-L220 VanDerWaalsContact CD2-CD1 3.48Å |
| 89 | L | 81.9 | Confident | 77.1 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64 | -37.5 | 175.6 | -71.6 | 169.9 | 0 | 0 | 0 | 112.3 | L85 H93 W107 L115 A118 M216 | L85-L89 WeakPolarHBondContact O-CB 3.49Å; L85-L89 VanDerWaalsContact O-CG 3.25Å; L85-L89 WeakPolarHBondContact O-CG 3.2Å; L85-L89 PolarHBondContact O-N 2.82Å; L89-H93 VanDerWaalsContact O-CB 3.31Å; L89-H93 WeakPolarHBondContact O-CB 3.44Å; L89-H93 PolarHBondContact O-N 2.7Å; L89-W107 HydrophobicContact CB-CZ2 4.43Å; L89-L115 HydrophobicContact CD1-CD2 3.9Å; L89-L115 HydrophobicContact CD2-CD2 3.55Å; L89-L115 HydrophobicContact CG-CD2 4.4Å; L89-A118 HydrophobicContact CD1-CB 3.73Å; L89-M216 HydrophobicContact CD2-CE 3.86Å; L89-M216 HydrophobicContact CG-CE 4.2Å |
| 90 | Q | 78.6 | Confident | 77.1 | Confident | 112 Ų | 112 | 64.7 Ų | 64.7 | 52% | 0.523 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 171.3 | -73.6 | 166.3 | 14.3 | 0 | 0 | 111.5 | R86 Q87 L88 H93 H94 | R86-Q90 WeakPolarHBondContact O-CB 3.4Å; R86-Q90 WeakPolarHBondContact O-CG 3.46Å; R86-Q90 PolarHBondContact O-N 3.25Å; Q87-Q90 PolarHBondContact O-N 3.1Å; L88-Q90 VanDerWaalsContact C-N 3.34Å; L88-Q90 PolarHBondContact O-N 2.91Å; Q90-H93 PolarHBondContact O-N 3.39Å; Q90-H94 PolarHBondContact O-N 3.26Å; Q90-H94 PolarHBondContact O-ND1 2.62Å |
| 91 | G | 77.6 | Confident | 77.1 | Confident | 31 Ų | 31 | 64.5 Ų | 64.5 | 32% | 0.32 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q87 L88 H93 H94 K95 | Q87-G91 PolarHBondContact O-N 3.45Å; L88-G91 PolarHBondContact O-N 3.15Å; G91-H93 PolarHBondContact O-N 3.24Å; G91-H94 PolarHBondContact O-N 3.35Å; G91-K95 WeakPolarHBondContact O-CB 3.32Å; G91-K95 PolarHBondContact O-N 2.89Å |
| 92 | L | 81.6 | Confident | 77 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64 | -37.9 | 175.8 | -71.1 | 162.8 | 0 | 0 | 0 | 112.2 | L88 K95 A96 Y110 M216 L220 | L88-L92 WeakPolarHBondContact O-CB 3.22Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.49Å; L88-L92 PolarHBondContact O-N 2.88Å; L92-K95 PolarHBondContact O-N 2.97Å; L92-A96 WeakPolarHBondContact O-CB 3.35Å; L92-A96 PolarHBondContact O-N 3.49Å; L92-Y110 HydrophobicContact CD1-CE2 3.83Å; L92-Y110 WeakPolarHBondContact CD1-OH 3.3Å; L92-M216 HydrophobicContact CD1-CE 3.55Å; L92-L220 HydrophobicContact CD2-CD2 3.82Å; L92-L220 HydrophobicContact CD2-CG 4.06Å; L92-L220 HydrophobicContact CG-CD1 4.45Å; L92-L220 HydrophobicContact CG-CD2 4.13Å; L92-L220 HydrophobicContact CG-CG 4.39Å |
| 93 | H | 77.3 | Confident | 76.6 | Confident | 52 Ų | 52 | 68.8 Ų | 68.8 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 174.1 | 178.5 | -114.5 | 0 | 0 | 0 | 112.2 | L89 Q90 G91 A96 I97 | L89-H93 VanDerWaalsContact O-CB 3.31Å; L89-H93 WeakPolarHBondContact O-CB 3.44Å; L89-H93 PolarHBondContact O-N 2.7Å; Q90-H93 PolarHBondContact O-N 3.39Å; G91-H93 PolarHBondContact O-N 3.24Å; H93-A96 PolarHBondContact O-N 3.35Å; H93-I97 WeakPolarHBondContact O-CG1 3.42Å; H93-I97 PolarHBondContact O-N 2.85Å |
| 94 | H | 73.9 | Confident | 75.9 | Confident | 118 Ų | 118 | 66.1 Ų | 66.1 | 55% | 0.546 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 175 | -69.8 | 89.9 | 0 | 0 | 0 | 112.1 | Q90 G91 I97 C98 | Q90-H94 PolarHBondContact O-N 3.26Å; Q90-H94 PolarHBondContact O-ND1 2.62Å; G91-H94 PolarHBondContact O-N 3.35Å; H94-I97 PolarHBondContact O-N 3.45Å; H94-C98 PolarHBondContact O-N 3.22Å; H94-C98 PolarHBondContact O-SG 3.1Å; H94-C98 VanDerWaalsContact O-SG 3.35Å |
| 95 | K | 78 | Confident | 75.2 | Confident | 50 Ų | 50 | 69 Ų | 69 | 22% | 0.217 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 172.9 | -179.2 | 177.7 | 176.4 | -175.1 | 0 | 111.2 | G91 L92 I97 C98 E99 E219 L220 | G91-K95 WeakPolarHBondContact O-CB 3.32Å; G91-K95 PolarHBondContact O-N 2.89Å; L92-K95 PolarHBondContact O-N 2.97Å; K95-I97 PolarHBondContact O-N 2.88Å; K95-C98 PolarHBondContact O-N 3.08Å; K95-E99 WeakPolarHBondContact CE-OE1 3.3Å; K95-E99 VanDerWaalsContact CG-OE1 3.31Å; K95-E99 WeakPolarHBondContact CG-OE1 3.33Å; K95-E99 WeakPolarHBondContact O-CB 3.49Å; K95-E99 VanDerWaalsContact O-CG 3.31Å; K95-E99 WeakPolarHBondContact O-CG 3.42Å; K95-E99 PolarHBondContact O-N 3.17Å; K95-E219 PolarHBondContact NZ-O 3.21Å; K95-L220 HydrophobicContact CD-CD2 4.41Å |
| 96 | A | 76.5 | Confident | 74.4 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59 | -45.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L92 H93 C98 E99 G100 R101 A106 | L92-A96 WeakPolarHBondContact O-CB 3.35Å; L92-A96 PolarHBondContact O-N 3.49Å; H93-A96 PolarHBondContact O-N 3.35Å; A96-C98 PolarHBondContact O-N 3.09Å; A96-E99 CarbonylContact O-C 3.59Å; A96-E99 PolarHBondContact O-N 3.27Å; A96-E99 VanDerWaalsContact O-N 3.09Å; A96-G100 PolarHBondContact O-N 3.18Å; A96-R101 CarbonylContact C-O 3.42Å; A96-R101 HydrophobicContact CB-CB 4.07Å; A96-R101 PolarHBondContact O-N 3.22Å; A96-A106 HydrophobicContact CB-CB 3.59Å |
| 97 | I | 75.1 | Confident | 74.2 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 52% | 0.518 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.9 | -46.8 | 174.8 | -70.1 | 165.7 | 0 | 0 | 0 | 111.3 | H93 H94 K95 E99 G100 | H93-I97 WeakPolarHBondContact O-CG1 3.42Å; H93-I97 PolarHBondContact O-N 2.85Å; H94-I97 PolarHBondContact O-N 3.45Å; K95-I97 PolarHBondContact O-N 2.88Å; I97-E99 PolarHBondContact O-N 2.86Å; I97-G100 PolarHBondContact O-N 2.95Å; I97-G100 VanDerWaalsContact O-N 3.14Å |
| 98 | C | 74.2 | Confident | 73.5 | Confident | 116 Ų | 116 | 66.7 Ų | 66.7 | 78% | 0.784 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.2 | -26.1 | 177 | -69.4 | 0 | 0 | 0 | 0 | 113.7 | H94 K95 A96 | H94-C98 PolarHBondContact O-N 3.22Å; H94-C98 PolarHBondContact O-SG 3.1Å; H94-C98 VanDerWaalsContact O-SG 3.35Å; K95-C98 PolarHBondContact O-N 3.08Å; A96-C98 PolarHBondContact O-N 3.09Å |
| 99 | E | 77.9 | Confident | 72.6 | Confident | 97 Ų | 97 | 70.3 Ų | 70.3 | 45% | 0.453 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -0.5 | 176.6 | -68.5 | 170.1 | 179.3 | 0 | 0 | 113.3 | K95 A96 I97 R101 | K95-E99 WeakPolarHBondContact CE-OE1 3.3Å; K95-E99 VanDerWaalsContact CG-OE1 3.31Å; K95-E99 WeakPolarHBondContact CG-OE1 3.33Å; K95-E99 WeakPolarHBondContact O-CB 3.49Å; K95-E99 VanDerWaalsContact O-CG 3.31Å; K95-E99 WeakPolarHBondContact O-CG 3.42Å; K95-E99 PolarHBondContact O-N 3.17Å; A96-E99 CarbonylContact O-C 3.59Å; A96-E99 PolarHBondContact O-N 3.27Å; A96-E99 VanDerWaalsContact O-N 3.09Å; I97-E99 PolarHBondContact O-N 2.86Å; E99-R101 HydrophobicContact CB-CG 4.22Å; E99-R101 IonicContact OE2-CZ 2.71Å; E99-R101 IonicContact OE2-NE 2.87Å; E99-R101 PolarHBondContact OE2-NE 3.31Å; E99-R101 IonicContact OE2-NH2 2.72Å; E99-R101 PolarHBondContact OE2-NH2 2.82Å |
| 100 | G | 71.6 | Confident | 72.4 | Confident | 72 Ų | 72 | 71 Ų | 71 | 74% | 0.742 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 21.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | A96 I97 | A96-G100 PolarHBondContact O-N 3.18Å; I97-G100 PolarHBondContact O-N 2.95Å; I97-G100 VanDerWaalsContact O-N 3.14Å |
| 101 | R | 74.6 | Confident | 71.8 | Confident | 76 Ų | 76 | 68 Ų | 68 | 29% | 0.287 | 38% | 0.381 | S | S | . | . | trans | -98.4 | 144.4 | 179.2 | -57.3 | -164.8 | -74.7 | 148 | -10.2 | 111.3 | A96 E99 | A96-R101 CarbonylContact C-O 3.42Å; A96-R101 HydrophobicContact CB-CB 4.07Å; A96-R101 PolarHBondContact O-N 3.22Å; E99-R101 HydrophobicContact CB-CG 4.22Å; E99-R101 IonicContact OE2-CZ 2.71Å; E99-R101 IonicContact OE2-NE 2.87Å; E99-R101 PolarHBondContact OE2-NE 3.31Å; E99-R101 IonicContact OE2-NH2 2.72Å; E99-R101 PolarHBondContact OE2-NH2 2.82Å | ||
| 102 | D | 72.7 | Confident | 71.3 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 54% | 0.535 | 40% | 0.397 | S | S | . | . | trans | -74.2 | 155.3 | 177.8 | 174.8 | 54.6 | 0 | 0 | 0 | 113 | A104 Q105 A106 | D102-A104 PolarHBondContact O-N 2.9Å; D102-A104 VanDerWaalsContact OD2-CB 3.27Å; D102-A104 WeakPolarHBondContact OD2-CB 3.48Å; D102-A104 PolarHBondContact OD2-N 3.44Å; D102-Q105 HydrophobicContact CB-CB 4.2Å; D102-Q105 WeakPolarHBondContact O-CB 3.19Å; D102-Q105 PolarHBondContact O-N 2.98Å; D102-A106 WeakPolarHBondContact O-CB 3.37Å; D102-A106 PolarHBondContact O-N 3.47Å | ||
| 103 | Q | 66.3 | Low | 70.2 | Confident | 82 Ų | 82 | 79.1 Ų | 79.1 | 38% | 0.383 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 177.9 | -179.6 | 172.4 | 37.3 | 0 | 0 | 112.6 | Q105 A106 W107 | Q103-Q105 VanDerWaalsContact C-N 3.35Å; Q103-A106 PolarHBondContact O-N 2.82Å; Q103-W107 HydrophobicContact CG-CD2 4.25Å; Q103-W107 HydrophobicContact CG-CE3 4.19Å; Q103-W107 HydrophobicContact CG-CH2 4.11Å; Q103-W107 HydrophobicContact CG-CZ2 4.12Å; Q103-W107 HydrophobicContact CG-CZ3 4.12Å; Q103-W107 PolarHBondContact O-N 3.16Å |
| 104 | A | 60.8 | Low | 69.5 | Low | 63 Ų | 63 | 77.6 Ų | 77.6 | 52% | 0.521 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110 | D102 A106 W107 V108 | D102-A104 PolarHBondContact O-N 2.9Å; D102-A104 VanDerWaalsContact OD2-CB 3.27Å; D102-A104 WeakPolarHBondContact OD2-CB 3.48Å; D102-A104 PolarHBondContact OD2-N 3.44Å; A104-A106 VanDerWaalsContact C-N 3.28Å; A104-A106 PolarHBondContact O-N 2.95Å; A104-W107 PolarHBondContact O-N 3.46Å; A104-V108 VanDerWaalsContact O-CG2 3.28Å; A104-V108 WeakPolarHBondContact O-CG2 3.35Å; A104-V108 PolarHBondContact O-N 3.12Å; A104-V108 VanDerWaalsContact O-N 3.11Å |
| 105 | Q | 63 | Low | 69.3 | Low | 118 Ų | 118 | 73.1 Ų | 73.1 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.4 | -33.1 | 178.3 | -164.6 | -179.5 | 18.6 | 0 | 0 | 113.1 | D102 Q103 W107 | D102-Q105 HydrophobicContact CB-CB 4.2Å; D102-Q105 WeakPolarHBondContact O-CB 3.19Å; D102-Q105 PolarHBondContact O-N 2.98Å; Q103-Q105 VanDerWaalsContact C-N 3.35Å; Q105-W107 VanDerWaalsContact C-N 3.27Å; Q105-W107 PolarHBondContact O-N 3.41Å |
| 106 | A | 63.5 | Low | 68.6 | Low | 4 Ų | 4 | 76.4 Ų | 76.4 | 3% | 0.033 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.8 | -20.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A96 D102 Q103 A104 Y110 | A96-A106 HydrophobicContact CB-CB 3.59Å; D102-A106 WeakPolarHBondContact O-CB 3.37Å; D102-A106 PolarHBondContact O-N 3.47Å; Q103-A106 PolarHBondContact O-N 2.82Å; A104-A106 VanDerWaalsContact C-N 3.28Å; A104-A106 PolarHBondContact O-N 2.95Å; A106-Y110 WeakPolarHBondContact O-CE2 3.17Å |
| 107 | W | 73.4 | Confident | 68.1 | Low | 44 Ų | 44 | 80 Ų | 80 | 17% | 0.167 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -110.7 | -11.1 | -172.7 | -66.3 | -8.1 | 0 | 0 | 0 | 114.8 | L89 Q103 A104 Q105 Q109 Y110 L115 L119 | L89-W107 HydrophobicContact CB-CZ2 4.43Å; Q103-W107 HydrophobicContact CG-CD2 4.25Å; Q103-W107 HydrophobicContact CG-CE3 4.19Å; Q103-W107 HydrophobicContact CG-CH2 4.11Å; Q103-W107 HydrophobicContact CG-CZ2 4.12Å; Q103-W107 HydrophobicContact CG-CZ3 4.12Å; Q103-W107 PolarHBondContact O-N 3.16Å; A104-W107 PolarHBondContact O-N 3.46Å; Q105-W107 VanDerWaalsContact C-N 3.27Å; Q105-W107 PolarHBondContact O-N 3.41Å; W107-Q109 PolarHBondContact O-N 3.29Å; W107-Y110 PolarHBondContact O-N 3.18Å; W107-L115 HydrophobicContact CB-CD1 4.05Å; W107-L115 HydrophobicContact CD2-CD2 4.4Å; W107-L115 HydrophobicContact CG-CD2 4.43Å; W107-L119 HydrophobicContact CH2-CD1 4.17Å; W107-L119 HydrophobicContact CZ3-CD1 3.95Å |
| 108 | V | 64.6 | Low | 67.5 | Low | 123 Ų | 123 | 75.1 Ų | 75.1 | 75% | 0.745 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -32.3 | 178.1 | 178.8 | 0 | 0 | 0 | 0 | 113.3 | A104 Y110 | A104-V108 VanDerWaalsContact O-CG2 3.28Å; A104-V108 WeakPolarHBondContact O-CG2 3.35Å; A104-V108 PolarHBondContact O-N 3.12Å; A104-V108 VanDerWaalsContact O-N 3.11Å; V108-Y110 VanDerWaalsContact C-N 3.34Å; V108-Y110 PolarHBondContact O-N 3.46Å |
| 109 | Q | 62.4 | Low | 67 | Low | 103 Ų | 103 | 74.2 Ų | 74.2 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -4.6 | -176.1 | 65.6 | -170.3 | 14.9 | 0 | 0 | 114.9 | W107 E219 | W107-Q109 PolarHBondContact O-N 3.29Å; Q109-E219 VanDerWaalsContact NE2-CD 3.29Å; Q109-E219 PolarHBondContact NE2-OE1 3.05Å; Q109-E219 PolarHBondContact NE2-OE2 3.13Å |
| 110 | Y | 76.4 | Confident | 66.3 | Low | 21 Ų | 21 | 74.9 Ų | 74.9 | 8% | 0.082 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -111.6 | 151.1 | -179.8 | -50.6 | -56.7 | 0 | 0 | 0 | 112.2 | L92 A106 W107 V108 P112 M216 E219 | L92-Y110 HydrophobicContact CD1-CE2 3.83Å; L92-Y110 WeakPolarHBondContact CD1-OH 3.3Å; A106-Y110 WeakPolarHBondContact O-CE2 3.17Å; W107-Y110 PolarHBondContact O-N 3.18Å; V108-Y110 VanDerWaalsContact C-N 3.34Å; V108-Y110 PolarHBondContact O-N 3.46Å; Y110-P112 WeakPolarHBondContact O-CD 3.35Å; Y110-M216 HydrophobicContact CD1-CG 4.22Å; Y110-M216 HydrophobicContact CE1-CG 3.83Å; Y110-M216 HydrophobicContact CE2-CE 4.48Å; Y110-E219 PolarHBondContact OH-OE2 3.38Å |
| 111 | S | 67.3 | Low | 65 | Low | 49 Ų | 49 | 79.4 Ų | 79.4 | 34% | 0.343 | 40% | 0.398 | S | S | . | . | trans | -62.7 | 124 | -178.3 | 178.8 | 0 | 0 | 0 | 0 | 112.2 | R113 V114 L115 | S111-R113 PolarHBondContact O-N 2.95Å; S111-V114 PolarHBondContact O-N 2.81Å; S111-L115 PolarHBondContact O-N 2.81Å | ||
| 112 | P | 65.5 | Low | 63.4 | Low | 102 Ų | 102 | 81.5 Ų | 81.5 | 66% | 0.662 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -56.7 | -27.1 | 178.9 | -28.4 | 35.9 | 0 | 0 | 0 | 114.3 | Y110 V114 L115 H116 | Y110-P112 WeakPolarHBondContact O-CD 3.35Å; P112-V114 VanDerWaalsContact C-N 3.33Å; P112-V114 PolarHBondContact O-N 3.33Å; P112-L115 PolarHBondContact O-N 2.98Å; P112-H116 PolarHBondContact O-N 2.71Å |
| 113 | R | 59.4 | Low | 61.5 | Low | 171 Ų | 171 | 88.2 Ų | 88.2 | 65% | 0.645 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.1 | -37.1 | 175.3 | -63.2 | -175 | 176.4 | -157.6 | -1.5 | 112.2 | S111 F117 L202 | S111-R113 PolarHBondContact O-N 2.95Å; R113-F117 WeakPolarHBondContact O-CB 3.47Å; R113-F117 PolarHBondContact O-N 3.03Å; R113-F117 VanDerWaalsContact O-N 3.11Å; R113-L202 PolarHBondContact NH1-O 3.33Å; R113-L202 VanDerWaalsContact NH1-O 3.1Å |
| 114 | V | 62.2 | Low | 59.9 | Low | 19 Ų | 19 | 90.3 Ų | 90.3 | 12% | 0.115 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -74.5 | -37.6 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | L85 S111 P112 F117 A118 L209 | L85-V114 HydrophobicContact CD1-CG1 4.01Å; L85-V114 HydrophobicContact CD2-CG1 4.21Å; S111-V114 PolarHBondContact O-N 2.81Å; P112-V114 VanDerWaalsContact C-N 3.33Å; P112-V114 PolarHBondContact O-N 3.33Å; V114-F117 PolarHBondContact O-N 3.5Å; V114-A118 WeakPolarHBondContact O-CB 3.39Å; V114-A118 PolarHBondContact O-N 2.91Å; V114-L209 HydrophobicContact CG2-CD2 4.32Å |
| 115 | L | 69.5 | Low | 58.8 | Low | 25 Ų | 25 | 94.7 Ų | 94.7 | 13% | 0.131 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 174.3 | -60.3 | 176.8 | 0 | 0 | 0 | 111.5 | L89 W107 S111 P112 A118 L119 | L89-L115 HydrophobicContact CD1-CD2 3.9Å; L89-L115 HydrophobicContact CD2-CD2 3.55Å; L89-L115 HydrophobicContact CG-CD2 4.4Å; W107-L115 HydrophobicContact CB-CD1 4.05Å; W107-L115 HydrophobicContact CD2-CD2 4.4Å; W107-L115 HydrophobicContact CG-CD2 4.43Å; S111-L115 PolarHBondContact O-N 2.81Å; P112-L115 PolarHBondContact O-N 2.98Å; L115-A118 PolarHBondContact O-N 3.46Å; L115-L119 WeakPolarHBondContact O-CB 3.45Å; L115-L119 VanDerWaalsContact O-CG 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.5Å; L115-L119 PolarHBondContact O-N 3.48Å |
| 116 | H | 64.3 | Low | 57.6 | Low | 119 Ų | 119 | 96.8 Ų | 96.8 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.5 | -53.2 | 174.2 | -161.8 | -72.7 | 0 | 0 | 0 | 111.4 | P112 A118 L119 E120 | P112-H116 PolarHBondContact O-N 2.71Å; H116-A118 PolarHBondContact O-N 2.72Å; H116-A118 VanDerWaalsContact O-N 3.17Å; H116-L119 PolarHBondContact O-N 2.87Å; H116-E120 VanDerWaalsContact CE1-CD 3.44Å; H116-E120 IonicContact CE1-OE1 2.71Å; H116-E120 PolarHBondContact CE1-OE1 2.87Å; H116-E120 IonicContact CE1-OE2 3.68Å; H116-E120 PolarHBondContact CE1-OE2 2.67Å; H116-E120 IonicContact ND1-OE2 3.37Å; H116-E120 PolarHBondContact ND1-OE2 3.13Å; H116-E120 WeakPolarHBondContact O-CB 3.37Å; H116-E120 PolarHBondContact O-N 2.92Å |
| 117 | F | 65.1 | Low | 56.9 | Low | 74 Ų | 74 | 102.4 Ų | 102.4 | 33% | 0.325 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.2 | -32.5 | 179.2 | 178.3 | -94.7 | 0 | 0 | 0 | 113.3 | R82 R113 V114 | R82-F117 HydrophobicContact CB-CE1 3.9Å; R82-F117 HydrophobicContact CB-CZ 4.44Å; R82-F117 WeakPolarHBondContact CD-O 3.31Å; R82-F117 HydrophobicContact CG-CD1 4.26Å; R82-F117 HydrophobicContact CG-CE1 4Å; R82-F117 WeakPolarHBondContact CG-O 3.3Å; R82-F117 PolarHBondContact NE-O 3.14Å; R113-F117 WeakPolarHBondContact O-CB 3.47Å; R113-F117 PolarHBondContact O-N 3.03Å; R113-F117 VanDerWaalsContact O-N 3.11Å; V114-F117 PolarHBondContact O-N 3.5Å |
| 118 | A | 62.4 | Low | 54.9 | Low | 0 Ų | 0 | 108.8 Ų | 108.8 | 0% | 0 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -77.5 | -39.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L85 R86 L89 V114 L115 H116 | L85-A118 HydrophobicContact CB-CB 4.31Å; R86-A118 WeakPolarHBondContact CG-O 3.4Å; R86-A118 VanDerWaalsContact CZ-O 3.29Å; R86-A118 PolarHBondContact NE-O 3.29Å; R86-A118 PolarHBondContact NH2-O 2.83Å; L89-A118 HydrophobicContact CD1-CB 3.73Å; V114-A118 WeakPolarHBondContact O-CB 3.39Å; V114-A118 PolarHBondContact O-N 2.91Å; L115-A118 PolarHBondContact O-N 3.46Å; H116-A118 PolarHBondContact O-N 2.72Å; H116-A118 VanDerWaalsContact O-N 3.17Å |
| 119 | L | 64.7 | Low | 53.6 | Low | 96 Ų | 96 | 111.9 Ų | 111.9 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -91.2 | -10.2 | -170.2 | -65 | 172 | 0 | 0 | 0 | 114.9 | W107 L115 H116 | W107-L119 HydrophobicContact CH2-CD1 4.17Å; W107-L119 HydrophobicContact CZ3-CD1 3.95Å; L115-L119 WeakPolarHBondContact O-CB 3.45Å; L115-L119 VanDerWaalsContact O-CG 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.5Å; L115-L119 PolarHBondContact O-N 3.48Å; H116-L119 PolarHBondContact O-N 2.87Å |
| 120 | E | 63.3 | Low | 52.3 | Low | 112 Ų | 112 | 116 Ų | 116 | 52% | 0.523 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -70.4 | 131.3 | -175.9 | -166 | 157.1 | -158.5 | 0 | 0 | 113.7 | R86 H116 | R86-E120 PolarHBondContact NH2-O 3.38Å; H116-E120 VanDerWaalsContact CE1-CD 3.44Å; H116-E120 IonicContact CE1-OE1 2.71Å; H116-E120 PolarHBondContact CE1-OE1 2.87Å; H116-E120 IonicContact CE1-OE2 3.68Å; H116-E120 PolarHBondContact CE1-OE2 2.67Å; H116-E120 IonicContact ND1-OE2 3.37Å; H116-E120 PolarHBondContact ND1-OE2 3.13Å; H116-E120 WeakPolarHBondContact O-CB 3.37Å; H116-E120 PolarHBondContact O-N 2.92Å |
| 121 | E | 43.6 | Very low | 50.3 | Low | 166 Ų | 166 | 121.4 Ų | 121.4 | 78% | 0.776 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 130.5 | 179.7 | -69.3 | -168.8 | 142.9 | 0 | 0 | 111.7 | R123 | E121-R123 PolarHBondContact O-N 2.98Š|
| 122 | P | 40.8 | Very low | 48.8 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 79% | 0.786 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 126.9 | 172.5 | -18.3 | 31.7 | 0 | 0 | 0 | 111.4 | ||
| 123 | R | 33.8 | Very low | 47.5 | Very low | 241 Ų | 241 | 131.6 Ų | 131.6 | 91% | 0.909 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 139.9 | 170.3 | -66 | -174.3 | 176.2 | -167.3 | -1.5 | 110.5 | E121 | E121-R123 PolarHBondContact O-N 2.98Š|
| 124 | C | 32.4 | Very low | 46.2 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 85% | 0.851 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 135.3 | 171.2 | -64.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 125 | D | 37.3 | Very low | 45 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 83% | 0.829 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 154.8 | 170.5 | -58.8 | -60.7 | 0 | 0 | 0 | 111.7 | ||
| 126 | L | 36.9 | Very low | 43.2 | Very low | 161 Ų | 161 | 146 Ų | 146 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | trans | -151.8 | 130.7 | 161.5 | -108.8 | 143.7 | 0 | 0 | 0 | 110.1 | ||||
| 127 | P | 49.1 | Very low | 41.7 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | trans | -101.9 | 130.3 | -179.2 | 35.6 | -30.2 | 0 | 0 | 0 | 112.8 | ||||
| 128 | E | 31.6 | Very low | 40.6 | Very low | 179 Ų | 179 | 152.5 Ų | 152.5 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | -139.9 | 114.3 | 168.4 | -70.6 | -168.3 | 151.5 | 0 | 0 | 111.6 | ||||
| 129 | Q | 36.7 | Very low | 40 | Very low | 188 Ų | 188 | 157.8 Ų | 157.8 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | 179.8 | 91.5 | 122.5 | -97.7 | 176.1 | 26.5 | 0 | 0 | 110.9 | |||||
| 130 | E | 35.3 | Very low | 38.6 | Very low | 190 Ų | 190 | 159 Ų | 159 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | -79.1 | 130.4 | 153.1 | 174.3 | -175.8 | -103.6 | 0 | 0 | 107.8 | ||||
| 131 | I | 35.8 | Very low | 37.8 | Very low | 133 Ų | 133 | 159.4 Ų | 159.4 | 68% | 0.682 | 84% | 0.839 | S | S | * | * | trans | -158.8 | 135.5 | 162.4 | -118.5 | 167.9 | 0 | 0 | 0 | 115.7 | ||||
| 132 | F | 35.2 | Very low | 37.6 | Very low | 184 Ų | 184 | 154.3 Ų | 154.3 | 81% | 0.807 | 83% | 0.831 | S | S | * | * | trans | 47.3 | 119.4 | 163.4 | -58.2 | -50.7 | 0 | 0 | 0 | 123.9 | ||||
| 133 | Q | 38.6 | Very low | 38.1 | Very low | 181 Ų | 181 | 157 Ų | 157 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | trans | -62.9 | 154.7 | 153.1 | -51.8 | 168.7 | 32.5 | 0 | 0 | 111.6 | ||||
| 134 | M | 31.9 | Very low | 38.8 | Very low | 198 Ų | 198 | 155.4 Ų | 155.4 | 98% | 0.975 | 83% | 0.827 | S | S | * | * | trans | -131.2 | 126.8 | 162 | -157.1 | 69.3 | 162.8 | 0 | 0 | 109.7 | ||||
| 135 | R | 36.1 | Very low | 39.8 | Very low | 241 Ų | 241 | 154.2 Ų | 154.2 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -125 | 134 | -179.2 | 167.3 | -170.8 | -84.9 | -136.2 | -0.6 | 109.8 | ||||
| 136 | G | 33.2 | Very low | 40.8 | Very low | 80 Ų | 80 | 152.6 Ų | 152.6 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 151.9 | 109.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 137 | G | 31.1 | Very low | 41.8 | Very low | 82 Ų | 82 | 148 Ų | 148 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | 170.9 | 103.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 138 | R | 42.1 | Very low | 42.1 | Very low | 247 Ų | 247 | 147.3 Ų | 147.3 | 93% | 0.932 | 77% | 0.773 | S | S | * | * | trans | -106.2 | 167 | 169.3 | -114.8 | -155.7 | 127.6 | -173.8 | -0.6 | 109.8 | ||||
| 139 | P | 49.6 | Very low | 43.3 | Very low | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -93 | 159.5 | -145.8 | 36.5 | -38 | 0 | 0 | 0 | 114.2 | ||
| 140 | S | 37.2 | Very low | 44.2 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 146.5 | 166.1 | -166.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 141 | S | 46.7 | Very low | 45.3 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 151.9 | -177.5 | 54.3 | 0 | 0 | 0 | 0 | 113 | ||
| 142 | G | 38.4 | Very low | 46.1 | Very low | 59 Ų | 59 | 136.4 Ų | 136.4 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | trans | -175.5 | 58.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R144 | G142-R144 PolarHBondContact O-N 3.06Š| ||
| 143 | H | 51 | Low | 47.1 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | trans | -64.9 | 103.3 | 169.3 | -167.4 | -16.4 | 0 | 0 | 0 | 108.5 | ||||
| 144 | R | 48.3 | Very low | 48.2 | Very low | 206 Ų | 206 | 128.9 Ų | 128.9 | 78% | 0.777 | 70% | 0.695 | S | S | * | * | trans | -98.9 | 165.3 | 170.8 | -62 | -172.4 | -168.5 | -86.3 | 0.7 | 109.6 | G142 L146 | G142-R144 PolarHBondContact O-N 3.06Å; R144-L146 PolarHBondContact O-N 2.91Å | ||
| 145 | D | 53.6 | Low | 49.5 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 54% | 0.54 | 68% | 0.678 | S | S | . | * | trans | -73.1 | 122.6 | -167.8 | -153.4 | -46 | 0 | 0 | 0 | 111.9 | S147 | D145-S147 PolarHBondContact O-N 2.89Å; D145-S147 VanDerWaalsContact OD1-CB 3.32Å; D145-S147 WeakPolarHBondContact OD1-CB 3.48Å; D145-S147 PolarHBondContact OD1-N 2.93Å; D145-S147 VanDerWaalsContact OD1-N 3.09Å; D145-S147 PolarHBondContact OD1-OG 3.23Å | ||
| 146 | L | 59 | Low | 50.8 | Low | 121 Ų | 121 | 116.7 Ų | 116.7 | 63% | 0.634 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72.8 | -19 | -178.5 | -66.8 | 173.2 | 0 | 0 | 0 | 112.4 | R144 I148 I149 K150 | R144-L146 PolarHBondContact O-N 2.91Å; L146-I148 VanDerWaalsContact C-N 3.32Å; L146-I148 PolarHBondContact O-N 3.09Å; L146-I149 HydrophobicContact CD2-CD1 4.37Å; L146-I149 PolarHBondContact O-N 3.38Å; L146-K150 PolarHBondContact O-N 2.85Å |
| 147 | S | 58 | Low | 52.7 | Low | 65 Ų | 65 | 116.6 Ų | 116.6 | 46% | 0.455 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -59.7 | -40.1 | 179.2 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | D145 | D145-S147 PolarHBondContact O-N 2.89Å; D145-S147 VanDerWaalsContact OD1-CB 3.32Å; D145-S147 WeakPolarHBondContact OD1-CB 3.48Å; D145-S147 PolarHBondContact OD1-N 2.93Å; D145-S147 VanDerWaalsContact OD1-N 3.09Å; D145-S147 PolarHBondContact OD1-OG 3.23Å |
| 148 | I | 54.7 | Low | 55.1 | Low | 108 Ų | 108 | 117 Ų | 117 | 55% | 0.554 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.5 | -32.4 | -176.7 | -58.8 | 172.9 | 0 | 0 | 0 | 111.8 | L146 | L146-I148 VanDerWaalsContact C-N 3.32Å; L146-I148 PolarHBondContact O-N 3.09Å |
| 149 | I | 56 | Low | 57.1 | Low | 87 Ų | 87 | 109.1 Ų | 109.1 | 45% | 0.446 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -72.1 | -38.3 | -178.7 | -60.8 | 174 | 0 | 0 | 0 | 110.7 | L146 D151 Q152 L153 | L146-I149 HydrophobicContact CD2-CD1 4.37Å; L146-I149 PolarHBondContact O-N 3.38Å; I149-D151 PolarHBondContact O-N 3.25Å; I149-Q152 PolarHBondContact O-N 2.76Å; I149-L153 HydrophobicContact CG2-CD1 4.34Å; I149-L153 HydrophobicContact CG2-CG 4.44Å; I149-L153 PolarHBondContact O-N 3.27Å |
| 150 | K | 57.5 | Low | 58.8 | Low | 139 Ų | 139 | 109.9 Ų | 109.9 | 60% | 0.604 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -57.6 | -34 | -178.1 | -167.9 | -137.8 | 73 | -153.4 | 0 | 112.8 | L146 | L146-K150 PolarHBondContact O-N 2.85Å |
| 151 | D | 57.3 | Low | 61.2 | Low | 99 Ų | 99 | 108.2 Ų | 108.2 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.9 | -5.2 | 178.7 | -61.7 | -39.9 | 0 | 0 | 0 | 113.5 | I149 | I149-D151 PolarHBondContact O-N 3.25Š|
| 152 | Q | 53.5 | Low | 63.2 | Low | 135 Ų | 135 | 102.7 Ų | 102.7 | 63% | 0.631 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -20.3 | 169.5 | -69.9 | -174.7 | 11.5 | 0 | 0 | 113 | I149 N154 N157 | I149-Q152 PolarHBondContact O-N 2.76Å; Q152-N154 PolarHBondContact O-N 3.08Å; Q152-N157 PolarHBondContact O-ND2 3.37Å; Q152-N157 VanDerWaalsContact O-ND2 3.11Å |
| 153 | L | 56.2 | Low | 65.8 | Low | 119 Ų | 119 | 107 Ų | 107 | 62% | 0.623 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -73.1 | 48.1 | 163 | -65.6 | 175.2 | 0 | 0 | 0 | 111.4 | I149 V155 | I149-L153 HydrophobicContact CG2-CD1 4.34Å; I149-L153 HydrophobicContact CG2-CG 4.44Å; I149-L153 PolarHBondContact O-N 3.27Å; L153-V155 PolarHBondContact O-N 3.43Å |
| 154 | N | 61.4 | Low | 67.8 | Low | 89 Ų | 89 | 104.3 Ų | 104.3 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | trans | -57.6 | 132.1 | 176.9 | -102 | -28.9 | 0 | 0 | 0 | 110.3 | Q152 S156 N157 I158 | Q152-N154 PolarHBondContact O-N 3.08Å; N154-S156 PolarHBondContact O-N 2.95Å; N154-S156 VanDerWaalsContact O-N 3.17Å; N154-N157 HydrophobicContact CB-CB 4.46Å; N154-N157 WeakPolarHBondContact O-CA 3.35Å; N154-N157 VanDerWaalsContact O-CB 3.29Å; N154-N157 WeakPolarHBondContact O-CB 3.48Å; N154-N157 PolarHBondContact O-N 2.85Å; N154-I158 PolarHBondContact O-N 3.5Å | ||
| 155 | V | 58.7 | Low | 70 | Confident | 102 Ų | 102 | 96.3 Ų | 96.3 | 62% | 0.618 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -52.9 | -41.1 | 178.4 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | L153 N157 I158 D159 | L153-V155 PolarHBondContact O-N 3.43Å; V155-N157 VanDerWaalsContact C-N 3.26Å; V155-N157 PolarHBondContact O-N 2.98Å; V155-I158 WeakPolarHBondContact O-CB 3.22Å; V155-I158 PolarHBondContact O-N 3.16Å; V155-D159 PolarHBondContact O-N 3.26Å |
| 156 | S | 62.9 | Low | 71.9 | Confident | 81 Ų | 81 | 94.9 Ų | 94.9 | 57% | 0.566 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60 | -30.1 | 176.4 | -46.6 | 0 | 0 | 0 | 0 | 114.4 | N154 Q160 | N154-S156 PolarHBondContact O-N 2.95Å; N154-S156 VanDerWaalsContact O-N 3.17Å; S156-Q160 VanDerWaalsContact O-CB 3.26Å; S156-Q160 WeakPolarHBondContact O-CB 3.01Å; S156-Q160 PolarHBondContact O-N 3.39Å |
| 157 | N | 73.9 | Confident | 73.4 | Confident | 77 Ų | 77 | 90.1 Ų | 90.1 | 41% | 0.412 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.3 | -40.4 | 174.9 | -64.4 | -8.7 | 0 | 0 | 0 | 110.2 | Q152 N154 V155 Q160 V161 | Q152-N157 PolarHBondContact O-ND2 3.37Å; Q152-N157 VanDerWaalsContact O-ND2 3.11Å; N154-N157 HydrophobicContact CB-CB 4.46Å; N154-N157 WeakPolarHBondContact O-CA 3.35Å; N154-N157 VanDerWaalsContact O-CB 3.29Å; N154-N157 WeakPolarHBondContact O-CB 3.48Å; N154-N157 PolarHBondContact O-N 2.85Å; V155-N157 VanDerWaalsContact C-N 3.26Å; V155-N157 PolarHBondContact O-N 2.98Å; N157-Q160 PolarHBondContact O-N 2.82Å; N157-V161 WeakPolarHBondContact O-CB 3.29Å; N157-V161 WeakPolarHBondContact O-CG2 3.23Å; N157-V161 PolarHBondContact O-N 3.15Å |
| 158 | I | 80.9 | Confident | 75.2 | Confident | 92 Ų | 92 | 89.7 Ų | 89.7 | 47% | 0.472 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 176.6 | -56.8 | 172.5 | 0 | 0 | 0 | 109.6 | N154 V155 Q160 V161 A162 | N154-I158 PolarHBondContact O-N 3.5Å; V155-I158 WeakPolarHBondContact O-CB 3.22Å; V155-I158 PolarHBondContact O-N 3.16Å; I158-Q160 VanDerWaalsContact C-N 3.29Å; I158-Q160 PolarHBondContact O-N 3.31Å; I158-V161 PolarHBondContact O-N 2.94Å; I158-A162 VanDerWaalsContact O-CB 3.24Å; I158-A162 WeakPolarHBondContact O-CB 3.47Å; I158-A162 PolarHBondContact O-N 3.27Å |
| 159 | D | 83.8 | Confident | 77.1 | Confident | 80 Ų | 80 | 84.8 Ų | 84.8 | 43% | 0.428 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.7 | -36.3 | 175.2 | -71.4 | -44.4 | 0 | 0 | 0 | 112.9 | V155 R163 | V155-D159 PolarHBondContact O-N 3.26Å; D159-R163 VanDerWaalsContact O-CB 3.26Å; D159-R163 WeakPolarHBondContact O-CB 3.46Å; D159-R163 PolarHBondContact O-N 3.34Å; D159-R163 PolarHBondContact O-NH1 2.87Å |
| 160 | Q | 86.9 | Confident | 79 | Confident | 126 Ų | 126 | 85.6 Ų | 85.6 | 59% | 0.589 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -71.4 | -46.3 | 177.3 | -175.7 | 172.9 | -0.4 | 0 | 0 | 112.1 | S156 N157 I158 R163 H164 | S156-Q160 VanDerWaalsContact O-CB 3.26Å; S156-Q160 WeakPolarHBondContact O-CB 3.01Å; S156-Q160 PolarHBondContact O-N 3.39Å; N157-Q160 PolarHBondContact O-N 2.82Å; I158-Q160 VanDerWaalsContact C-N 3.29Å; I158-Q160 PolarHBondContact O-N 3.31Å; Q160-R163 PolarHBondContact O-N 3.18Å; Q160-H164 PolarHBondContact O-N 3.44Å |
| 161 | V | 87.6 | Confident | 80.8 | Confident | 86 Ų | 86 | 84.8 Ų | 84.8 | 52% | 0.521 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 175.6 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | N157 I158 R163 H164 L165 | N157-V161 WeakPolarHBondContact O-CB 3.29Å; N157-V161 WeakPolarHBondContact O-CG2 3.23Å; N157-V161 PolarHBondContact O-N 3.15Å; I158-V161 PolarHBondContact O-N 2.94Å; V161-R163 VanDerWaalsContact C-N 3.32Å; V161-R163 PolarHBondContact O-N 2.71Å; V161-H164 PolarHBondContact O-N 3.37Å; V161-L165 HydrophobicContact CG1-CD1 3.82Å; V161-L165 HydrophobicContact CG1-CG 4.29Å; V161-L165 WeakPolarHBondContact O-CB 3.45Å; V161-L165 WeakPolarHBondContact O-CG 3.46Å; V161-L165 PolarHBondContact O-N 2.81Å |
| 162 | A | 88.6 | Confident | 82.5 | Confident | 6 Ų | 6 | 81.5 Ų | 81.5 | 5% | 0.05 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I27 L28 I158 R166 | I27-A162 HydrophobicContact CG2-CB 3.6Å; L28-A162 HydrophobicContact CD2-CB 4.38Å; I158-A162 VanDerWaalsContact O-CB 3.24Å; I158-A162 WeakPolarHBondContact O-CB 3.47Å; I158-A162 PolarHBondContact O-N 3.27Å; A162-R166 WeakPolarHBondContact O-CB 3.17Å; A162-R166 VanDerWaalsContact O-CG 3.29Å; A162-R166 WeakPolarHBondContact O-CG 3.22Å; A162-R166 PolarHBondContact O-N 3.38Å; A162-R166 PolarHBondContact O-NE 3.03Å |
| 163 | R | 92 | Very high | 84.5 | Confident | 150 Ų | 150 | 75.5 Ų | 75.5 | 57% | 0.566 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.3 | -39.6 | 174.3 | -172.2 | -175.2 | -60.1 | 95.4 | 4 | 112.2 | D159 Q160 V161 G167 | D159-R163 VanDerWaalsContact O-CB 3.26Å; D159-R163 WeakPolarHBondContact O-CB 3.46Å; D159-R163 PolarHBondContact O-N 3.34Å; D159-R163 PolarHBondContact O-NH1 2.87Å; Q160-R163 PolarHBondContact O-N 3.18Å; V161-R163 VanDerWaalsContact C-N 3.32Å; V161-R163 PolarHBondContact O-N 2.71Å; R163-G167 PolarHBondContact O-N 3.43Å; R163-G167 VanDerWaalsContact O-N 3.1Å |
| 164 | H | 93 | Very high | 86.4 | Confident | 122 Ų | 122 | 74.8 Ų | 74.8 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68.9 | -45 | 177.8 | -177.4 | 27 | 0 | 0 | 0 | 112 | Q160 V161 R166 G167 L168 | Q160-H164 PolarHBondContact O-N 3.44Å; V161-H164 PolarHBondContact O-N 3.37Å; H164-R166 VanDerWaalsContact C-N 3.32Å; H164-R166 PolarHBondContact O-N 3.28Å; H164-G167 PolarHBondContact O-N 2.92Å; H164-L168 WeakPolarHBondContact O-CG 3.5Å; H164-L168 PolarHBondContact O-N 2.91Å |
| 165 | L | 93.8 | Very high | 88 | Confident | 37 Ų | 37 | 73.9 Ų | 73.9 | 19% | 0.194 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 175.8 | -72.4 | 173.6 | 0 | 0 | 0 | 112.1 | L8 V12 L28 V161 L168 L169 | L8-L165 HydrophobicContact CD1-CD2 4.35Å; V12-L165 HydrophobicContact CG2-CD1 4.31Å; V12-L165 HydrophobicContact CG2-CD2 4Å; L28-L165 HydrophobicContact CD1-CB 4.21Å; L28-L165 HydrophobicContact CD1-CD1 4.36Å; L28-L165 HydrophobicContact CD2-CB 3.54Å; L28-L165 HydrophobicContact CD2-CD1 4.1Å; L28-L165 HydrophobicContact CD2-CG 4.49Å; V161-L165 HydrophobicContact CG1-CD1 3.82Å; V161-L165 HydrophobicContact CG1-CG 4.29Å; V161-L165 WeakPolarHBondContact O-CB 3.45Å; V161-L165 WeakPolarHBondContact O-CG 3.46Å; V161-L165 PolarHBondContact O-N 2.81Å; L165-L168 PolarHBondContact O-N 2.8Å; L165-L169 VanDerWaalsContact O-CB 3.29Å; L165-L169 WeakPolarHBondContact O-CB 3.25Å; L165-L169 PolarHBondContact O-N 3.09Å |
| 166 | R | 94.5 | Very high | 89.8 | Confident | 71 Ų | 71 | 69.6 Ų | 69.6 | 27% | 0.268 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 170.6 | -77.4 | -176.8 | -59.4 | -109 | -3.3 | 112.4 | I27 L28 A162 H164 L168 L169 E170 | I27-R166 PolarHBondContact O-NH1 3.41Å; L28-R166 HydrophobicContact CB-CG 4.49Å; L28-R166 HydrophobicContact CD2-CG 4.29Å; L28-R166 VanDerWaalsContact O-CG 3.24Å; L28-R166 WeakPolarHBondContact O-CG 3.36Å; A162-R166 WeakPolarHBondContact O-CB 3.17Å; A162-R166 VanDerWaalsContact O-CG 3.29Å; A162-R166 WeakPolarHBondContact O-CG 3.22Å; A162-R166 PolarHBondContact O-N 3.38Å; A162-R166 PolarHBondContact O-NE 3.03Å; H164-R166 VanDerWaalsContact C-N 3.32Å; H164-R166 PolarHBondContact O-N 3.28Å; R166-L168 VanDerWaalsContact C-N 3.35Å; R166-L168 PolarHBondContact O-N 3.3Å; R166-L169 WeakPolarHBondContact O-CB 3.33Å; R166-L169 PolarHBondContact O-N 2.93Å; R166-L169 VanDerWaalsContact O-N 3.14Å; R166-E170 WeakPolarHBondContact O-CB 3.21Å; R166-E170 VanDerWaalsContact O-CG 3.3Å; R166-E170 WeakPolarHBondContact O-CG 3.35Å; R166-E170 PolarHBondContact O-N 3.35Å |
| 167 | G | 91.1 | Very high | 91.4 | Very high | 22 Ų | 22 | 70 Ų | 70 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R163 H164 L169 E170 E171 | R163-G167 PolarHBondContact O-N 3.43Å; R163-G167 VanDerWaalsContact O-N 3.1Å; H164-G167 PolarHBondContact O-N 2.92Å; G167-L169 VanDerWaalsContact C-N 3.34Å; G167-L169 PolarHBondContact O-N 2.86Å; G167-E170 PolarHBondContact O-N 3.42Å; G167-E171 WeakPolarHBondContact O-CB 3.33Å; G167-E171 VanDerWaalsContact O-CG 3.3Å; G167-E171 WeakPolarHBondContact O-CG 3.35Å; G167-E171 PolarHBondContact O-N 3.46Å |
| 168 | L | 94.9 | Very high | 92.6 | Very high | 56 Ų | 56 | 73.9 Ų | 73.9 | 29% | 0.293 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.6 | -34.4 | 175.5 | -69.1 | 173.8 | 0 | 0 | 0 | 112.8 | L8 H164 L165 R166 E172 | L8-L168 HydrophobicContact CD1-CB 4.45Å; L8-L168 HydrophobicContact CD2-CB 3.58Å; H164-L168 WeakPolarHBondContact O-CG 3.5Å; H164-L168 PolarHBondContact O-N 2.91Å; L165-L168 PolarHBondContact O-N 2.8Å; R166-L168 VanDerWaalsContact C-N 3.35Å; R166-L168 PolarHBondContact O-N 3.3Å; L168-E172 WeakPolarHBondContact O-CB 3.5Å; L168-E172 PolarHBondContact O-N 3.5Å |
| 169 | L | 94.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.9 | -43.6 | 176.7 | -172.6 | 64.5 | 0 | 0 | 0 | 111.1 | L8 A32 V33 S36 L165 R166 G167 E172 C173 | L8-L169 HydrophobicContact CD2-CB 3.86Å; L8-L169 HydrophobicContact CD2-CD1 4.3Å; L8-L169 VanDerWaalsContact CD2-N 3.32Å; A32-L169 HydrophobicContact CB-CD2 3.83Å; A32-L169 HydrophobicContact CB-CG 4.48Å; V33-L169 HydrophobicContact CB-CD2 4.47Å; V33-L169 HydrophobicContact CG2-CD2 3.65Å; S36-L169 WeakPolarHBondContact OG-CD1 3.36Å; L165-L169 VanDerWaalsContact O-CB 3.29Å; L165-L169 WeakPolarHBondContact O-CB 3.25Å; L165-L169 PolarHBondContact O-N 3.09Å; R166-L169 WeakPolarHBondContact O-CB 3.33Å; R166-L169 PolarHBondContact O-N 2.93Å; R166-L169 VanDerWaalsContact O-N 3.14Å; G167-L169 VanDerWaalsContact C-N 3.34Å; G167-L169 PolarHBondContact O-N 2.86Å; L169-E172 WeakPolarHBondContact O-CB 3.4Å; L169-E172 PolarHBondContact O-N 3.05Å; L169-C173 PolarHBondContact O-N 3.43Å; L169-C173 PolarHBondContact O-SG 2.86Å; L169-C173 VanDerWaalsContact O-SG 3.35Å |
| 170 | E | 95.6 | Very high | 93.9 | Very high | 104 Ų | 104 | 68.7 Ų | 68.7 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 172.4 | -70.1 | 162.9 | -149.1 | 0 | 0 | 110.7 | R166 G167 E172 C173 H174 | R166-E170 WeakPolarHBondContact O-CB 3.21Å; R166-E170 VanDerWaalsContact O-CG 3.3Å; R166-E170 WeakPolarHBondContact O-CG 3.35Å; R166-E170 PolarHBondContact O-N 3.35Å; G167-E170 PolarHBondContact O-N 3.42Å; E170-E172 VanDerWaalsContact C-N 3.32Å; E170-E172 PolarHBondContact O-N 2.92Å; E170-C173 PolarHBondContact O-N 2.89Å; E170-H174 PolarHBondContact O-N 2.96Å; E170-H174 PolarHBondContact O-ND1 3.26Å |
| 171 | E | 94.8 | Very high | 94.4 | Very high | 122 Ų | 122 | 65.8 Ų | 65.8 | 57% | 0.57 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.5 | -36.5 | 174.9 | -76.7 | 173.6 | -159.7 | 0 | 0 | 112.8 | G167 T175 | G167-E171 WeakPolarHBondContact O-CB 3.33Å; G167-E171 VanDerWaalsContact O-CG 3.3Å; G167-E171 WeakPolarHBondContact O-CG 3.35Å; G167-E171 PolarHBondContact O-N 3.46Å; E171-T175 VanDerWaalsContact O-CB 3.31Å; E171-T175 WeakPolarHBondContact O-CB 3.39Å; E171-T175 PolarHBondContact O-N 3.14Å; E171-T175 VanDerWaalsContact O-N 3.13Å; E171-T175 PolarHBondContact O-OG1 3.33Å |
| 172 | E | 94.3 | Very high | 94.9 | Very high | 31 Ų | 31 | 65.8 Ų | 65.8 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.9 | -52.2 | 173 | -179.5 | 172.3 | 111.7 | 0 | 0 | 110.9 | L8 S36 R40 L168 L169 E170 H174 T175 L176 | L8-E172 PolarHBondContact N-OE2 2.99Å; L8-E172 VanDerWaalsContact N-OE2 3.15Å; S36-E172 PolarHBondContact OG-OE1 2.87Å; R40-E172 IonicContact CZ-OE1 2.71Å; R40-E172 IonicContact CZ-OE2 3.97Å; R40-E172 IonicContact NE-OE1 2.75Å; R40-E172 PolarHBondContact NE-OE1 3.1Å; R40-E172 IonicContact NE-OE2 3.09Å; R40-E172 PolarHBondContact NE-OE2 3.35Å; R40-E172 VanDerWaalsContact NH2-CD 3.35Å; R40-E172 IonicContact NH2-OE1 2.77Å; R40-E172 IonicContact NH2-OE2 2.68Å; R40-E172 PolarHBondContact NH2-OE2 2.97Å; L168-E172 WeakPolarHBondContact O-CB 3.5Å; L168-E172 PolarHBondContact O-N 3.5Å; L169-E172 WeakPolarHBondContact O-CB 3.4Å; L169-E172 PolarHBondContact O-N 3.05Å; E170-E172 VanDerWaalsContact C-N 3.32Å; E170-E172 PolarHBondContact O-N 2.92Å; E172-H174 PolarHBondContact O-N 2.74Å; E172-T175 WeakPolarHBondContact O-CB 3.38Å; E172-T175 PolarHBondContact O-N 2.96Å; E172-L176 HydrophobicContact CG-CD1 3.82Å; E172-L176 WeakPolarHBondContact O-CG 3.33Å; E172-L176 PolarHBondContact O-N 2.76Å |
| 173 | C | 95.1 | Very high | 95.2 | Very high | 8 Ų | 8 | 66.3 Ų | 66.3 | 5% | 0.054 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.5 | -54.2 | 177.1 | -68.5 | 0 | 0 | 0 | 0 | 112 | S36 L39 L169 E170 T175 L176 E177 | S36-C173 WeakPolarHBondContact CB-SG 3.23Å; L39-C173 HydrophobicContact CD1-CB 3.85Å; L169-C173 PolarHBondContact O-N 3.43Å; L169-C173 PolarHBondContact O-SG 2.86Å; L169-C173 VanDerWaalsContact O-SG 3.35Å; E170-C173 PolarHBondContact O-N 2.89Å; C173-T175 PolarHBondContact O-N 3.26Å; C173-T175 VanDerWaalsContact O-N 3.08Å; C173-L176 PolarHBondContact O-N 3.42Å; C173-E177 WeakPolarHBondContact O-CB 3.34Å; C173-E177 WeakPolarHBondContact O-CG 3.48Å; C173-E177 PolarHBondContact O-N 3.11Å |
| 174 | H | 96 | Very high | 95.5 | Very high | 104 Ų | 104 | 62.8 Ų | 62.8 | 48% | 0.481 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.5 | -26.2 | 177.6 | -72.2 | 94.5 | 0 | 0 | 0 | 112.6 | E170 E172 R178 | E170-H174 PolarHBondContact O-N 2.96Å; E170-H174 PolarHBondContact O-ND1 3.26Å; E172-H174 PolarHBondContact O-N 2.74Å; H174-R178 WeakPolarHBondContact O-CD 3.5Å; H174-R178 WeakPolarHBondContact O-CG 3.38Å; H174-R178 PolarHBondContact O-N 2.81Å; H174-R178 PolarHBondContact O-NE 2.99Å |
| 175 | T | 95.7 | Very high | 95.6 | Very high | 70 Ų | 70 | 62.4 Ų | 62.4 | 43% | 0.429 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -78.7 | -39.8 | 177 | -59.6 | 0 | 0 | 0 | 0 | 112 | E171 E172 C173 R178 E179 | E171-T175 VanDerWaalsContact O-CB 3.31Å; E171-T175 WeakPolarHBondContact O-CB 3.39Å; E171-T175 PolarHBondContact O-N 3.14Å; E171-T175 VanDerWaalsContact O-N 3.13Å; E171-T175 PolarHBondContact O-OG1 3.33Å; E172-T175 WeakPolarHBondContact O-CB 3.38Å; E172-T175 PolarHBondContact O-N 2.96Å; C173-T175 PolarHBondContact O-N 3.26Å; C173-T175 VanDerWaalsContact O-N 3.08Å; T175-R178 PolarHBondContact O-N 3.5Å; T175-R178 PolarHBondContact OG1-NH2 3.3Å; T175-E179 PolarHBondContact O-N 3.01Å; T175-E179 VanDerWaalsContact O-N 3.09Å |
| 176 | L | 95.7 | Very high | 95.6 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.8 | -44.8 | 174.8 | -62.9 | 158.4 | 0 | 0 | 0 | 111.4 | L39 R40 V43 E172 C173 R178 E179 I180 | L39-L176 HydrophobicContact CB-CB 3.88Å; L39-L176 HydrophobicContact CB-CD1 3.87Å; L39-L176 HydrophobicContact CB-CG 4.48Å; L39-L176 HydrophobicContact CD1-CB 4.43Å; R40-L176 HydrophobicContact CG-CD1 3.59Å; R40-L176 HydrophobicContact CG-CD2 3.9Å; R40-L176 HydrophobicContact CG-CG 4.42Å; V43-L176 HydrophobicContact CB-CD2 4.15Å; V43-L176 HydrophobicContact CG1-CD2 4.24Å; V43-L176 HydrophobicContact CG2-CB 4.26Å; V43-L176 HydrophobicContact CG2-CD2 3.89Å; E172-L176 HydrophobicContact CG-CD1 3.82Å; E172-L176 WeakPolarHBondContact O-CG 3.33Å; E172-L176 PolarHBondContact O-N 2.76Å; C173-L176 PolarHBondContact O-N 3.42Å; L176-R178 PolarHBondContact O-N 3.39Å; L176-E179 WeakPolarHBondContact O-CA 3.21Å; L176-E179 PolarHBondContact O-N 3.05Å; L176-I180 WeakPolarHBondContact O-CG1 3.46Å; L176-I180 PolarHBondContact O-N 3.17Å |
| 177 | E | 97.5 | Very high | 95.5 | Very high | 89 Ų | 89 | 60 Ų | 60 | 42% | 0.416 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.5 | -33 | 173.8 | -72.4 | 174.3 | 167.1 | 0 | 0 | 112.9 | L39 C173 P181 | L39-E177 HydrophobicContact CD1-CG 3.88Å; L39-E177 HydrophobicContact CD2-CG 3.94Å; C173-E177 WeakPolarHBondContact O-CB 3.34Å; C173-E177 WeakPolarHBondContact O-CG 3.48Å; C173-E177 PolarHBondContact O-N 3.11Å; E177-P181 WeakPolarHBondContact O-CD 3.3Å |
| 178 | R | 97.5 | Very high | 95.6 | Very high | 158 Ų | 158 | 64.9 Ų | 64.9 | 60% | 0.596 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -79 | -26.5 | 173.7 | -73.7 | 176.4 | -63.7 | -177.7 | 2.6 | 113.1 | H174 T175 L176 I182 | H174-R178 WeakPolarHBondContact O-CD 3.5Å; H174-R178 WeakPolarHBondContact O-CG 3.38Å; H174-R178 PolarHBondContact O-N 2.81Å; H174-R178 PolarHBondContact O-NE 2.99Å; T175-R178 PolarHBondContact O-N 3.5Å; T175-R178 PolarHBondContact OG1-NH2 3.3Å; L176-R178 PolarHBondContact O-N 3.39Å; R178-I182 VanDerWaalsContact O-CD1 3.32Å; R178-I182 WeakPolarHBondContact O-CD1 3.26Å; R178-I182 WeakPolarHBondContact O-CG1 3.33Å |
| 179 | E | 96.3 | Very high | 95.4 | Very high | 49 Ų | 49 | 66.4 Ų | 66.4 | 23% | 0.229 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -80.8 | -38.9 | 178 | -167.8 | -179 | 167.1 | 0 | 0 | 112.4 | R47 T175 L176 I182 L183 | R47-E179 IonicContact CZ-OE1 3.33Å; R47-E179 IonicContact CZ-OE2 2.9Å; R47-E179 IonicContact NE-OE1 3.67Å; R47-E179 PolarHBondContact NE-OE1 2.86Å; R47-E179 IonicContact NH2-OE1 3.34Å; R47-E179 PolarHBondContact NH2-OE1 3.45Å; R47-E179 IonicContact NH2-OE2 2.87Å; R47-E179 PolarHBondContact NH2-OE2 3.11Å; T175-E179 PolarHBondContact O-N 3.01Å; T175-E179 VanDerWaalsContact O-N 3.09Å; L176-E179 WeakPolarHBondContact O-CA 3.21Å; L176-E179 PolarHBondContact O-N 3.05Å; E179-I182 WeakPolarHBondContact O-CA 3.47Å; E179-I182 WeakPolarHBondContact O-CB 3.2Å; E179-I182 PolarHBondContact O-N 2.62Å; E179-L183 HydrophobicContact CG-CD1 3.79Å; E179-L183 HydrophobicContact CG-CG 3.94Å; E179-L183 PolarHBondContact O-N 2.88Å |
| 180 | I | 97.1 | Very high | 95 | Very high | 15 Ų | 15 | 66.8 Ų | 66.8 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -46.2 | -56.2 | 178.8 | -74.6 | 166.8 | 0 | 0 | 0 | 113.2 | L39 E42 V43 L46 L176 I182 L183 Q184 | L39-I180 HydrophobicContact CD2-CD1 3.51Å; E42-I180 HydrophobicContact CB-CD1 4.43Å; E42-I180 HydrophobicContact CG-CD1 4.38Å; E42-I180 HydrophobicContact CG-CG1 4.46Å; E42-I180 WeakPolarHBondContact OE1-CG2 3.34Å; V43-I180 HydrophobicContact CG2-CD1 4.19Å; V43-I180 HydrophobicContact CG2-CG1 3.55Å; L46-I180 HydrophobicContact CD1-CB 4.36Å; L46-I180 HydrophobicContact CD1-CG1 4.21Å; L46-I180 HydrophobicContact CD1-CG2 4.07Å; L176-I180 WeakPolarHBondContact O-CG1 3.46Å; L176-I180 PolarHBondContact O-N 3.17Å; I180-I182 PolarHBondContact O-N 3.33Å; I180-L183 PolarHBondContact O-N 2.85Å; I180-L183 VanDerWaalsContact O-N 3.16Å; I180-Q184 HydrophobicContact CG2-CG 4.32Å; I180-Q184 WeakPolarHBondContact O-CB 3.44Å; I180-Q184 VanDerWaalsContact O-CG 3.29Å; I180-Q184 WeakPolarHBondContact O-CG 3.29Å; I180-Q184 PolarHBondContact O-N 2.93Å |
| 181 | P | 97.1 | Very high | 94.3 | Very high | 65 Ų | 65 | 71.4 Ų | 71.4 | 42% | 0.422 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.9 | -18.4 | 179.8 | 28.2 | -35.9 | 0 | 0 | 0 | 113.6 | E177 R185 | E177-P181 WeakPolarHBondContact O-CD 3.3Å; P181-R185 WeakPolarHBondContact O-CB 3.45Å; P181-R185 PolarHBondContact O-N 2.86Å |
| 182 | I | 97.3 | Very high | 93.6 | Very high | 86 Ų | 86 | 72.6 Ų | 72.6 | 44% | 0.441 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -75.4 | -43.9 | 171.7 | -60.8 | 172.6 | 0 | 0 | 0 | 109.6 | R178 E179 I180 C186 | R178-I182 VanDerWaalsContact O-CD1 3.32Å; R178-I182 WeakPolarHBondContact O-CD1 3.26Å; R178-I182 WeakPolarHBondContact O-CG1 3.33Å; E179-I182 WeakPolarHBondContact O-CA 3.47Å; E179-I182 WeakPolarHBondContact O-CB 3.2Å; E179-I182 PolarHBondContact O-N 2.62Å; I180-I182 PolarHBondContact O-N 3.33Å; I182-C186 WeakPolarHBondContact O-CB 3.29Å; I182-C186 PolarHBondContact O-N 2.97Å; I182-C186 PolarHBondContact O-SG 3.36Å |
| 183 | L | 96 | Very high | 92.6 | Very high | 16 Ų | 16 | 76.1 Ų | 76.1 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 176.7 | -68.2 | 169 | 0 | 0 | 0 | 112.3 | V43 L46 R47 L50 E179 I180 C186 L187 | V43-L183 HydrophobicContact CB-CD1 4.44Å; V43-L183 HydrophobicContact CG1-CD1 4Å; V43-L183 HydrophobicContact CG2-CD1 4.36Å; L46-L183 HydrophobicContact CB-CB 3.98Å; L46-L183 HydrophobicContact CB-CD1 4.07Å; L46-L183 HydrophobicContact CD1-CB 4.15Å; L46-L183 HydrophobicContact CD1-CD1 4.45Å; R47-L183 HydrophobicContact CG-CD1 3.84Å; R47-L183 HydrophobicContact CG-CD2 3.81Å; L50-L183 HydrophobicContact CD2-CD2 4.02Å; E179-L183 HydrophobicContact CG-CD1 3.79Å; E179-L183 HydrophobicContact CG-CG 3.94Å; E179-L183 PolarHBondContact O-N 2.88Å; I180-L183 PolarHBondContact O-N 2.85Å; I180-L183 VanDerWaalsContact O-N 3.16Å; L183-C186 PolarHBondContact O-N 3.17Å; L183-L187 PolarHBondContact O-N 3.39Å |
| 184 | Q | 96.7 | Very high | 90.7 | Very high | 76 Ų | 76 | 79.7 Ų | 79.7 | 36% | 0.355 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.4 | -48.8 | 174.6 | -71.5 | 170 | -7.4 | 0 | 0 | 110.7 | E42 L46 I180 C186 L187 E188 | E42-Q184 PolarHBondContact OE1-NE2 2.95Å; E42-Q184 VanDerWaalsContact OE1-NE2 3.1Å; L46-Q184 HydrophobicContact CD1-CG 3.98Å; L46-Q184 HydrophobicContact CD2-CG 3.97Å; I180-Q184 HydrophobicContact CG2-CG 4.32Å; I180-Q184 WeakPolarHBondContact O-CB 3.44Å; I180-Q184 VanDerWaalsContact O-CG 3.29Å; I180-Q184 WeakPolarHBondContact O-CG 3.29Å; I180-Q184 PolarHBondContact O-N 2.93Å; Q184-C186 VanDerWaalsContact C-N 3.34Å; Q184-C186 PolarHBondContact O-N 3.3Å; Q184-L187 WeakPolarHBondContact O-CB 3.43Å; Q184-L187 PolarHBondContact O-N 3.41Å; Q184-L187 VanDerWaalsContact O-N 3.12Å; Q184-E188 WeakPolarHBondContact O-CG 3.41Å; Q184-E188 PolarHBondContact O-N 3.36Å |
| 185 | R | 95.6 | Very high | 88.5 | Confident | 114 Ų | 114 | 80.2 Ų | 80.2 | 43% | 0.43 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 174.9 | -166.5 | -169.8 | 66.4 | -103.7 | -6.6 | 112.2 | P181 L187 E188 E189 | P181-R185 WeakPolarHBondContact O-CB 3.45Å; P181-R185 PolarHBondContact O-N 2.86Å; R185-L187 VanDerWaalsContact C-N 3.32Å; R185-L187 PolarHBondContact O-N 3Å; R185-E188 WeakPolarHBondContact O-CB 3.29Å; R185-E188 PolarHBondContact O-N 3.37Å; R185-E189 WeakPolarHBondContact CD-OE1 3.3Å; R185-E189 HydrophobicContact CG-CG 4.41Å; R185-E189 WeakPolarHBondContact CG-OE1 3.24Å; R185-E189 IonicContact CZ-OE1 3.89Å; R185-E189 IonicContact NE-OE1 3.79Å; R185-E189 PolarHBondContact NE-OE1 3.17Å; R185-E189 IonicContact NH2-OE1 3.68Å; R185-E189 WeakPolarHBondContact O-CB 3.48Å; R185-E189 WeakPolarHBondContact O-CG 3.26Å; R185-E189 PolarHBondContact O-N 2.93Å |
| 186 | C | 93.4 | Very high | 86 | Confident | 23 Ų | 23 | 83.7 Ų | 83.7 | 16% | 0.155 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.9 | -32.7 | 174.6 | -76.7 | 0 | 0 | 0 | 0 | 112.9 | L50 I182 L183 Q184 E189 E190 | L50-C186 HydrophobicContact CD1-CB 4.14Å; L50-C186 HydrophobicContact CD2-CB 4.03Å; I182-C186 WeakPolarHBondContact O-CB 3.29Å; I182-C186 PolarHBondContact O-N 2.97Å; I182-C186 PolarHBondContact O-SG 3.36Å; L183-C186 PolarHBondContact O-N 3.17Å; Q184-C186 VanDerWaalsContact C-N 3.34Å; Q184-C186 PolarHBondContact O-N 3.3Å; C186-E189 PolarHBondContact O-N 3.42Å; C186-E189 PolarHBondContact SG-OE2 3.09Å; C186-E190 VanDerWaalsContact O-CG 3.22Å; C186-E190 WeakPolarHBondContact O-CG 3.43Å; C186-E190 PolarHBondContact O-N 2.92Å |
| 187 | L | 93.6 | Very high | 83.4 | Confident | 34 Ų | 34 | 88.5 Ų | 88.5 | 18% | 0.178 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 171.4 | -83.1 | 161 | 0 | 0 | 0 | 111.5 | L46 L49 L50 L183 Q184 R185 E190 Y191 | L46-L187 HydrophobicContact CB-CD1 4.23Å; L46-L187 HydrophobicContact CD2-CD1 3.6Å; L49-L187 HydrophobicContact CB-CD1 4.45Å; L49-L187 HydrophobicContact CB-CD2 3.89Å; L50-L187 HydrophobicContact CB-CD2 3.93Å; L50-L187 HydrophobicContact CB-CG 4.11Å; L50-L187 HydrophobicContact CD1-CD2 4.15Å; L50-L187 HydrophobicContact CD1-CG 4.11Å; L183-L187 PolarHBondContact O-N 3.39Å; Q184-L187 WeakPolarHBondContact O-CB 3.43Å; Q184-L187 PolarHBondContact O-N 3.41Å; Q184-L187 VanDerWaalsContact O-N 3.12Å; R185-L187 VanDerWaalsContact C-N 3.32Å; R185-L187 PolarHBondContact O-N 3Å; L187-E190 PolarHBondContact O-N 3.39Å; L187-Y191 WeakPolarHBondContact O-CB 3.45Å; L187-Y191 PolarHBondContact O-N 2.91Å |
| 188 | E | 93.1 | Very high | 80.7 | Confident | 125 Ų | 125 | 88.4 Ų | 88.4 | 58% | 0.584 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -60.5 | -45 | 173.4 | -67 | 171.1 | 177 | 0 | 0 | 111.6 | Q184 R185 E190 Y191 M192 | Q184-E188 WeakPolarHBondContact O-CG 3.41Å; Q184-E188 PolarHBondContact O-N 3.36Å; R185-E188 WeakPolarHBondContact O-CB 3.29Å; R185-E188 PolarHBondContact O-N 3.37Å; E188-E190 PolarHBondContact O-N 3.1Å; E188-Y191 PolarHBondContact O-N 2.92Å; E188-M192 WeakPolarHBondContact O-CB 3.39Å; E188-M192 VanDerWaalsContact O-CG 3.3Å; E188-M192 WeakPolarHBondContact O-CG 3.38Å; E188-M192 PolarHBondContact O-N 3.22Å |
| 189 | E | 90.3 | Very high | 78.1 | Confident | 88 Ų | 88 | 89.3 Ų | 89.3 | 41% | 0.411 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 177 | -73.9 | 163.2 | -170.8 | 0 | 0 | 112.7 | R185 C186 R193 | R185-E189 WeakPolarHBondContact CD-OE1 3.3Å; R185-E189 HydrophobicContact CG-CG 4.41Å; R185-E189 WeakPolarHBondContact CG-OE1 3.24Å; R185-E189 IonicContact CZ-OE1 3.89Å; R185-E189 IonicContact NE-OE1 3.79Å; R185-E189 PolarHBondContact NE-OE1 3.17Å; R185-E189 IonicContact NH2-OE1 3.68Å; R185-E189 WeakPolarHBondContact O-CB 3.48Å; R185-E189 WeakPolarHBondContact O-CG 3.26Å; R185-E189 PolarHBondContact O-N 2.93Å; C186-E189 PolarHBondContact O-N 3.42Å; C186-E189 PolarHBondContact SG-OE2 3.09Å; E189-R193 WeakPolarHBondContact O-CB 3.45Å; E189-R193 PolarHBondContact O-N 3.43Å |
| 190 | E | 86.5 | Confident | 75.6 | Confident | 12 Ų | 12 | 91.7 Ų | 91.7 | 6% | 0.056 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -74 | -39.2 | 175.4 | -62.7 | -72.4 | 148.3 | 0 | 0 | 111.9 | L50 R54 Q57 C186 L187 E188 R193 | L50-E190 HydrophobicContact CD1-CB 4.48Å; L50-E190 HydrophobicContact CD1-CG 3.63Å; R54-E190 HydrophobicContact CG-CG 4.17Å; R54-E190 VanDerWaalsContact CG-OE2 3.3Å; R54-E190 WeakPolarHBondContact CG-OE2 3.48Å; R54-E190 IonicContact CZ-OE1 2.96Å; R54-E190 IonicContact NE-OE1 3.45Å; R54-E190 PolarHBondContact NE-OE1 2.82Å; R54-E190 IonicContact NE-OE2 3.64Å; R54-E190 IonicContact NH2-OE1 3.22Å; R54-E190 PolarHBondContact NH2-OE1 2.93Å; Q57-E190 PolarHBondContact NE2-O 3.22Å; C186-E190 VanDerWaalsContact O-CG 3.22Å; C186-E190 WeakPolarHBondContact O-CG 3.43Å; C186-E190 PolarHBondContact O-N 2.92Å; L187-E190 PolarHBondContact O-N 3.39Å; E188-E190 PolarHBondContact O-N 3.1Å; E190-R193 WeakPolarHBondContact O-CB 3.47Å; E190-R193 IonicContact OE1-CZ 2.69Å; E190-R193 IonicContact OE1-NH1 3.59Å; E190-R193 IonicContact OE1-NH2 3.25Å; E190-R193 PolarHBondContact OE1-NH2 3.14Å; E190-R193 IonicContact OE2-CZ 3.42Å; E190-R193 IonicContact OE2-NH1 2.68Å; E190-R193 PolarHBondContact OE2-NH1 3.01Å; E190-R193 IonicContact OE2-NH2 2.93Å; E190-R193 PolarHBondContact OE2-NH2 3.4Å |
| 191 | Y | 81.2 | Confident | 73.1 | Confident | 201 Ų | 201 | 94.7 Ų | 94.7 | 79% | 0.788 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -77.4 | -32.2 | -178 | -165.1 | -89.5 | 0 | 0 | 0 | 113.3 | L187 E188 | L187-Y191 WeakPolarHBondContact O-CB 3.45Å; L187-Y191 PolarHBondContact O-N 2.91Å; E188-Y191 PolarHBondContact O-N 2.92Å |
| 192 | M | 79.1 | Confident | 70.8 | Confident | 148 Ų | 148 | 97.4 Ų | 97.4 | 73% | 0.729 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -85.8 | -8.4 | 174.9 | -66.2 | -63.7 | -63.2 | 0 | 0 | 113.1 | E188 P194 | E188-M192 WeakPolarHBondContact O-CB 3.39Å; E188-M192 VanDerWaalsContact O-CG 3.3Å; E188-M192 WeakPolarHBondContact O-CG 3.38Å; E188-M192 PolarHBondContact O-N 3.22Å; M192-P194 WeakPolarHBondContact O-CD 3.21Å |
| 193 | R | 73 | Confident | 68.6 | Low | 105 Ų | 105 | 99.9 Ų | 99.9 | 40% | 0.396 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -61.1 | 123.3 | 169.2 | -171.5 | 179.1 | -60.7 | 139 | 6.9 | 108.3 | E189 E190 C195 | E189-R193 WeakPolarHBondContact O-CB 3.45Å; E189-R193 PolarHBondContact O-N 3.43Å; E190-R193 WeakPolarHBondContact O-CB 3.47Å; E190-R193 IonicContact OE1-CZ 2.69Å; E190-R193 IonicContact OE1-NH1 3.59Å; E190-R193 IonicContact OE1-NH2 3.25Å; E190-R193 PolarHBondContact OE1-NH2 3.14Å; E190-R193 IonicContact OE2-CZ 3.42Å; E190-R193 IonicContact OE2-NH1 2.68Å; E190-R193 PolarHBondContact OE2-NH1 3.01Å; E190-R193 IonicContact OE2-NH2 2.93Å; E190-R193 PolarHBondContact OE2-NH2 3.4Å; R193-C195 PolarHBondContact O-N 2.9Å |
| 194 | P | 56 | Low | 66.8 | Low | 82 Ų | 82 | 101.4 Ų | 101.4 | 53% | 0.532 | 54% | 0.538 | S | S | . | . | trans | -58.9 | 137.6 | 173 | -19.7 | 31.4 | 0 | 0 | 0 | 109.3 | M192 H196 | M192-P194 WeakPolarHBondContact O-CD 3.21Å; P194-H196 PolarHBondContact O-CD2 3.45Å; P194-H196 VanDerWaalsContact O-CD2 3.22Å; P194-H196 PolarHBondContact O-N 3.18Å | ||
| 195 | C | 50.1 | Low | 65.6 | Low | 116 Ų | 116 | 101.5 Ų | 101.5 | 78% | 0.784 | 54% | 0.543 | S | S | * | . | trans | -66.8 | 75.9 | 166.4 | -67.5 | 0 | 0 | 0 | 0 | 109.1 | R193 P197 | R193-C195 PolarHBondContact O-N 2.9Å; C195-P197 WeakPolarHBondContact O-CD 3.22Å | ||
| 196 | H | 42.4 | Very low | 64.3 | Low | 143 Ų | 143 | 99.1 Ų | 99.1 | 66% | 0.662 | 54% | 0.539 | S | S | * | . | trans | -63 | 114.2 | 172.3 | -73.5 | -82 | 0 | 0 | 0 | 107.7 | P194 S198 | P194-H196 PolarHBondContact O-CD2 3.45Å; P194-H196 VanDerWaalsContact O-CD2 3.22Å; P194-H196 PolarHBondContact O-N 3.18Å; H196-S198 PolarHBondContact O-N 3.09Å; H196-S198 VanDerWaalsContact O-N 3.11Å | ||
| 197 | P | 41.2 | Very low | 63.3 | Low | 113 Ų | 113 | 101.2 Ų | 101.2 | 73% | 0.734 | 56% | 0.558 | S | S | * | * | trans | -61 | 120.2 | 164.7 | 27.6 | -32.3 | 0 | 0 | 0 | 106.6 | C195 E199 | C195-P197 WeakPolarHBondContact O-CD 3.22Å; P197-E199 PolarHBondContact O-N 2.59Å | ||
| 198 | S | 40.8 | Very low | 62.5 | Low | 88 Ų | 88 | 103.6 Ų | 103.6 | 62% | 0.615 | 57% | 0.568 | S | S | * | * | trans | -70.9 | 95.9 | -180 | -172.3 | 0 | 0 | 0 | 0 | 109 | H196 A200 A201 | H196-S198 PolarHBondContact O-N 3.09Å; H196-S198 VanDerWaalsContact O-N 3.11Å; S198-A200 PolarHBondContact O-N 3.38Å; S198-A201 PolarHBondContact O-N 3.4Å | ||
| 199 | E | 44 | Very low | 61.6 | Low | 177 Ų | 177 | 100.5 Ų | 100.5 | 83% | 0.827 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -56.4 | -17.1 | -179 | -63.5 | -175.4 | 125.8 | 0 | 0 | 112.9 | P197 A201 | P197-E199 PolarHBondContact O-N 2.59Å; E199-A201 PolarHBondContact O-N 3.41Å |
| 200 | A | 43.6 | Very low | 61 | Low | 99 Ų | 99 | 102.3 Ų | 102.3 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -68.1 | -11.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S198 | S198-A200 PolarHBondContact O-N 3.38Š|
| 201 | A | 45.2 | Very low | 60.8 | Low | 77 Ų | 77 | 108 Ų | 108 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -129.7 | 43.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S198 E199 E203 | S198-A201 PolarHBondContact O-N 3.4Å; E199-A201 PolarHBondContact O-N 3.41Å; A201-E203 PolarHBondContact O-N 3.22Å |
| 202 | L | 47.6 | Very low | 60.9 | Low | 122 Ų | 122 | 101.8 Ų | 101.8 | 64% | 0.639 | 57% | 0.567 | S | S | * | * | trans | -63.1 | 104.2 | 168.5 | -89.8 | 151.4 | 0 | 0 | 0 | 111.6 | R113 | R113-L202 PolarHBondContact NH1-O 3.33Å; R113-L202 VanDerWaalsContact NH1-O 3.1Å | ||
| 203 | E | 51.4 | Low | 61.1 | Low | 139 Ų | 139 | 96.8 Ų | 96.8 | 65% | 0.65 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 143.1 | 152.4 | -73.9 | -157.4 | 154.2 | 0 | 0 | 109 | K78 A201 T205 | K78-E203 IonicContact NZ-OE2 3.43Å; A201-E203 PolarHBondContact O-N 3.22Å; E203-T205 PolarHBondContact O-N 3.06Å |
| 204 | P | 57.5 | Low | 61.7 | Low | 48 Ų | 48 | 97.5 Ų | 97.5 | 31% | 0.312 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 130.6 | 176 | 27.5 | -34.2 | 0 | 0 | 0 | 110.7 | E208 L209 | P204-E208 VanDerWaalsContact CA-OE2 3.29Å; P204-E208 WeakPolarHBondContact CA-OE2 3.32Å; P204-E208 VanDerWaalsContact CB-OE2 3.25Å; P204-E208 WeakPolarHBondContact CB-OE2 3.47Å; P204-L209 HydrophobicContact CB-CD2 4.45Å; P204-L209 HydrophobicContact CG-CD2 4.14Å |
| 205 | T | 72.6 | Confident | 63 | Low | 77 Ų | 77 | 95.8 Ų | 95.8 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 149.4 | -175.4 | -44.4 | 0 | 0 | 0 | 0 | 110.9 | E203 A207 E208 L209 | E203-T205 PolarHBondContact O-N 3.06Å; T205-A207 HydrophobicContact CG2-CB 4.34Å; T205-A207 PolarHBondContact O-N 3Å; T205-E208 WeakPolarHBondContact CA-OE1 3.37Å; T205-E208 WeakPolarHBondContact CB-OE1 3.49Å; T205-E208 PolarHBondContact N-OE1 3.32Å; T205-E208 PolarHBondContact N-OE2 2.68Å; T205-E208 WeakPolarHBondContact O-CB 3.4Å; T205-E208 PolarHBondContact O-N 3.32Å; T205-E208 PolarHBondContact OG1-OE1 3.38Å; T205-L209 PolarHBondContact O-N 3.09Å; T205-L209 VanDerWaalsContact O-N 3.16Å |
| 206 | L | 67.4 | Low | 64.4 | Low | 65 Ų | 65 | 90.5 Ų | 90.5 | 34% | 0.34 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -52.6 | -27.2 | 174.1 | -176.6 | 65.9 | 0 | 0 | 0 | 113.5 | P73 K210 | P73-L206 HydrophobicContact CG-CD1 4.04Å; P73-L206 HydrophobicContact CG-CD2 3.49Å; P73-L206 VanDerWaalsContact CG-CD2 3.49Å; P73-L206 HydrophobicContact CG-CG 4.36Å; L206-K210 HydrophobicContact CG-CD 4.44Å; L206-K210 WeakPolarHBondContact O-CG 3.24Å; L206-K210 PolarHBondContact O-N 3.41Å |
| 207 | A | 72 | Confident | 66.2 | Low | 67 Ų | 67 | 87 Ų | 87 | 55% | 0.554 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.1 | -50 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | T205 L209 K210 E211 | T205-A207 HydrophobicContact CG2-CB 4.34Å; T205-A207 PolarHBondContact O-N 3Å; A207-L209 VanDerWaalsContact C-N 3.34Å; A207-L209 PolarHBondContact O-N 3.12Å; A207-K210 PolarHBondContact O-N 2.87Å; A207-E211 PolarHBondContact O-N 3.17Å |
| 208 | E | 77 | Confident | 68.1 | Low | 84 Ų | 84 | 86.7 Ų | 86.7 | 39% | 0.393 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.2 | -45 | 177.9 | -60.6 | 158.9 | -128.8 | 0 | 0 | 110.9 | P204 T205 K210 E211 Q212 | P204-E208 VanDerWaalsContact CA-OE2 3.29Å; P204-E208 WeakPolarHBondContact CA-OE2 3.32Å; P204-E208 VanDerWaalsContact CB-OE2 3.25Å; P204-E208 WeakPolarHBondContact CB-OE2 3.47Å; T205-E208 WeakPolarHBondContact CA-OE1 3.37Å; T205-E208 WeakPolarHBondContact CB-OE1 3.49Å; T205-E208 PolarHBondContact N-OE1 3.32Å; T205-E208 PolarHBondContact N-OE2 2.68Å; T205-E208 WeakPolarHBondContact O-CB 3.4Å; T205-E208 PolarHBondContact O-N 3.32Å; T205-E208 PolarHBondContact OG1-OE1 3.38Å; E208-K210 VanDerWaalsContact C-N 3.33Å; E208-K210 PolarHBondContact O-N 2.77Å; E208-E211 PolarHBondContact O-N 3.4Å; E208-Q212 WeakPolarHBondContact O-CB 3.41Å; E208-Q212 VanDerWaalsContact O-CG 3.29Å; E208-Q212 WeakPolarHBondContact O-CG 3.15Å; E208-Q212 PolarHBondContact O-N 3.24Å |
| 209 | L | 74.3 | Confident | 69.8 | Low | 60 Ų | 60 | 85 Ų | 85 | 31% | 0.314 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63 | -37.5 | 178.5 | -65.4 | 176.5 | 0 | 0 | 0 | 112.6 | V114 P204 T205 A207 K213 | V114-L209 HydrophobicContact CG2-CD2 4.32Å; P204-L209 HydrophobicContact CB-CD2 4.45Å; P204-L209 HydrophobicContact CG-CD2 4.14Å; T205-L209 PolarHBondContact O-N 3.09Å; T205-L209 VanDerWaalsContact O-N 3.16Å; A207-L209 VanDerWaalsContact C-N 3.34Å; A207-L209 PolarHBondContact O-N 3.12Å; L209-K213 WeakPolarHBondContact O-CB 3.45Å; L209-K213 PolarHBondContact O-N 2.83Å |
| 210 | K | 77.3 | Confident | 71.1 | Confident | 125 Ų | 125 | 79 Ų | 79 | 54% | 0.543 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.1 | -36.6 | 175.5 | -75.4 | 175.2 | 177.9 | -179.5 | 0 | 112.3 | L206 A207 E208 K214 | L206-K210 HydrophobicContact CG-CD 4.44Å; L206-K210 WeakPolarHBondContact O-CG 3.24Å; L206-K210 PolarHBondContact O-N 3.41Å; A207-K210 PolarHBondContact O-N 2.87Å; E208-K210 VanDerWaalsContact C-N 3.33Å; E208-K210 PolarHBondContact O-N 2.77Å; K210-K214 WeakPolarHBondContact O-CB 3.41Å; K210-K214 PolarHBondContact O-N 3.36Å |
| 211 | E | 84.3 | Confident | 72.4 | Confident | 133 Ų | 133 | 81.5 Ų | 81.5 | 62% | 0.621 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66 | -46.6 | 175 | -178.4 | 167.7 | -133.8 | 0 | 0 | 111.4 | A207 E208 K214 A215 | A207-E211 PolarHBondContact O-N 3.17Å; E208-E211 PolarHBondContact O-N 3.4Å; E211-K214 PolarHBondContact O-N 3.19Å; E211-A215 PolarHBondContact O-N 3.45Å |
| 212 | Q | 82.3 | Confident | 73.1 | Confident | 70 Ų | 70 | 81.2 Ų | 81.2 | 33% | 0.327 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 175.6 | -67.7 | -65.8 | -66.3 | 0 | 0 | 112 | E208 K214 A215 M216 | E208-Q212 WeakPolarHBondContact O-CB 3.41Å; E208-Q212 VanDerWaalsContact O-CG 3.29Å; E208-Q212 WeakPolarHBondContact O-CG 3.15Å; E208-Q212 PolarHBondContact O-N 3.24Å; Q212-K214 VanDerWaalsContact C-N 3.34Å; Q212-K214 PolarHBondContact O-N 2.96Å; Q212-A215 PolarHBondContact O-N 3.03Å; Q212-M216 WeakPolarHBondContact O-CG 3.43Å; Q212-M216 PolarHBondContact O-N 2.95Å |
| 213 | K | 84.1 | Confident | 73 | Confident | 42 Ų | 42 | 79.5 Ų | 79.5 | 18% | 0.183 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -55 | -50.2 | 173 | 174.1 | 173.4 | 173.6 | 173.1 | 0 | 111.1 | L81 E84 L209 A215 M216 E217 | L81-K213 HydrophobicContact CD2-CD 3.98Å; E84-K213 IonicContact OE1-NZ 2.81Å; E84-K213 PolarHBondContact OE1-NZ 3.19Å; E84-K213 IonicContact OE2-NZ 3.72Å; E84-K213 PolarHBondContact OE2-NZ 2.98Å; L209-K213 WeakPolarHBondContact O-CB 3.45Å; L209-K213 PolarHBondContact O-N 2.83Å; K213-A215 VanDerWaalsContact C-N 3.3Å; K213-A215 PolarHBondContact O-N 2.71Å; K213-M216 PolarHBondContact O-N 3.49Å; K213-E217 VanDerWaalsContact CE-CD 3.46Å; K213-E217 WeakPolarHBondContact CE-OE1 3.49Å; K213-E217 HydrophobicContact CG-CG 4.29Å; K213-E217 IonicContact NZ-OE1 3.44Å; K213-E217 WeakPolarHBondContact O-CG 3.43Å; K213-E217 PolarHBondContact O-N 2.7Å |
| 214 | K | 85.4 | Confident | 72.8 | Confident | 121 Ų | 121 | 79.9 Ų | 79.9 | 53% | 0.526 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | -179.7 | -178.3 | -176.8 | 172 | -169.8 | 0 | 112.1 | K210 E211 Q212 Q218 | K210-K214 WeakPolarHBondContact O-CB 3.41Å; K210-K214 PolarHBondContact O-N 3.36Å; E211-K214 PolarHBondContact O-N 3.19Å; Q212-K214 VanDerWaalsContact C-N 3.34Å; Q212-K214 PolarHBondContact O-N 2.96Å; K214-Q218 WeakPolarHBondContact O-CB 3.42Å; K214-Q218 VanDerWaalsContact O-CG 3.23Å; K214-Q218 WeakPolarHBondContact O-CG 3.4Å; K214-Q218 PolarHBondContact O-N 3.25Å |
| 215 | A | 82.7 | Confident | 72 | Confident | 45 Ų | 45 | 80 Ų | 80 | 37% | 0.372 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E211 Q212 K213 Q218 E219 | E211-A215 PolarHBondContact O-N 3.45Å; Q212-A215 PolarHBondContact O-N 3.03Å; K213-A215 VanDerWaalsContact C-N 3.3Å; K213-A215 PolarHBondContact O-N 2.71Å; A215-Q218 PolarHBondContact O-N 3.2Å; A215-E219 PolarHBondContact O-N 2.96Å |
| 216 | M | 79.5 | Confident | 70.7 | Confident | 5 Ų | 5 | 83.2 Ų | 83.2 | 3% | 0.025 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 176.6 | -64.3 | 175.2 | 80 | 0 | 0 | 112.3 | L85 L88 L89 L92 Y110 Q212 K213 Q218 E219 L220 | L85-M216 HydrophobicContact CD2-SD 3.96Å; L88-M216 HydrophobicContact CB-CE 4.25Å; L89-M216 HydrophobicContact CD2-CE 3.86Å; L89-M216 HydrophobicContact CG-CE 4.2Å; L92-M216 HydrophobicContact CD1-CE 3.55Å; Y110-M216 HydrophobicContact CD1-CG 4.22Å; Y110-M216 HydrophobicContact CE1-CG 3.83Å; Y110-M216 HydrophobicContact CE2-CE 4.48Å; Q212-M216 WeakPolarHBondContact O-CG 3.43Å; Q212-M216 PolarHBondContact O-N 2.95Å; K213-M216 PolarHBondContact O-N 3.49Å; M216-Q218 VanDerWaalsContact C-N 3.34Å; M216-E219 PolarHBondContact O-N 3.26Å; M216-L220 PolarHBondContact O-N 3.28Å |
| 217 | E | 79.4 | Confident | 69.4 | Low | 69 Ų | 69 | 84.8 Ų | 84.8 | 32% | 0.322 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 172.7 | -72.3 | 177.1 | 146.6 | 0 | 0 | 111.4 | K213 L220 Q221 | K213-E217 VanDerWaalsContact CE-CD 3.46Å; K213-E217 WeakPolarHBondContact CE-OE1 3.49Å; K213-E217 HydrophobicContact CG-CG 4.29Å; K213-E217 IonicContact NZ-OE1 3.44Å; K213-E217 WeakPolarHBondContact O-CG 3.43Å; K213-E217 PolarHBondContact O-N 2.7Å; E217-L220 PolarHBondContact O-N 3.41Å; E217-Q221 WeakPolarHBondContact O-CB 3.38Å; E217-Q221 VanDerWaalsContact O-CG 3.25Å; E217-Q221 WeakPolarHBondContact O-CG 3.3Å; E217-Q221 PolarHBondContact O-N 3.39Å |
| 218 | Q | 81.8 | Confident | 67.4 | Low | 108 Ų | 108 | 88 Ų | 88 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -37.6 | 176.5 | -76.8 | 178.9 | -31.6 | 0 | 0 | 112.6 | K214 A215 M216 Q221 A222 | K214-Q218 WeakPolarHBondContact O-CB 3.42Å; K214-Q218 VanDerWaalsContact O-CG 3.23Å; K214-Q218 WeakPolarHBondContact O-CG 3.4Å; K214-Q218 PolarHBondContact O-N 3.25Å; A215-Q218 PolarHBondContact O-N 3.2Å; M216-Q218 VanDerWaalsContact C-N 3.34Å; Q218-Q221 PolarHBondContact O-N 3.49Å; Q218-A222 WeakPolarHBondContact O-CA 3.48Å; Q218-A222 WeakPolarHBondContact O-CB 3.43Å; Q218-A222 PolarHBondContact O-N 2.82Å |
| 219 | E | 76.9 | Confident | 65.2 | Low | 53 Ų | 53 | 90 Ų | 90 | 25% | 0.248 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -70.5 | -29.4 | 178 | -171.4 | 179.9 | 174 | 0 | 0 | 113.6 | K95 Q109 Y110 A215 M216 | K95-E219 PolarHBondContact NZ-O 3.21Å; Q109-E219 VanDerWaalsContact NE2-CD 3.29Å; Q109-E219 PolarHBondContact NE2-OE1 3.05Å; Q109-E219 PolarHBondContact NE2-OE2 3.13Å; Y110-E219 PolarHBondContact OH-OE2 3.38Å; A215-E219 PolarHBondContact O-N 2.96Å; M216-E219 PolarHBondContact O-N 3.26Å |
| 220 | L | 70.6 | Confident | 63.4 | Low | 49 Ų | 49 | 91.4 Ų | 91.4 | 26% | 0.257 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -76.2 | -43.5 | 172.2 | -71.3 | 164.3 | 0 | 0 | 0 | 111.2 | L88 L92 K95 M216 E217 S223 | L88-L220 HydrophobicContact CD2-CD1 3.48Å; L88-L220 VanDerWaalsContact CD2-CD1 3.48Å; L92-L220 HydrophobicContact CD2-CD2 3.82Å; L92-L220 HydrophobicContact CD2-CG 4.06Å; L92-L220 HydrophobicContact CG-CD1 4.45Å; L92-L220 HydrophobicContact CG-CD2 4.13Å; L92-L220 HydrophobicContact CG-CG 4.39Å; K95-L220 HydrophobicContact CD-CD2 4.41Å; M216-L220 PolarHBondContact O-N 3.28Å; E217-L220 PolarHBondContact O-N 3.41Å; L220-S223 PolarHBondContact O-OG 2.89Å |
| 221 | Q | 70.9 | Confident | 61.5 | Low | 153 Ų | 153 | 91.6 Ų | 91.6 | 72% | 0.715 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.7 | -28.7 | 178.6 | -69.4 | 175.7 | 20.4 | 0 | 0 | 113.5 | E217 Q218 S223 | E217-Q221 WeakPolarHBondContact O-CB 3.38Å; E217-Q221 VanDerWaalsContact O-CG 3.25Å; E217-Q221 WeakPolarHBondContact O-CG 3.3Å; E217-Q221 PolarHBondContact O-N 3.39Å; Q218-Q221 PolarHBondContact O-N 3.49Å; Q221-S223 PolarHBondContact O-N 3.25Å |
| 222 | A | 60.1 | Low | 58.9 | Low | 70 Ų | 70 | 92.7 Ų | 92.7 | 58% | 0.579 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 32.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q218 V224 | Q218-A222 WeakPolarHBondContact O-CA 3.48Å; Q218-A222 WeakPolarHBondContact O-CB 3.43Å; Q218-A222 PolarHBondContact O-N 2.82Å; A222-V224 PolarHBondContact O-N 2.94Å; A222-V224 VanDerWaalsContact O-N 3.09Å |
| 223 | S | 45.1 | Very low | 56.4 | Low | 86 Ų | 86 | 97 Ų | 97 | 60% | 0.601 | 58% | 0.575 | S | S | * | * | trans | -61.3 | 109 | 163.3 | -67 | 0 | 0 | 0 | 0 | 108.5 | L220 Q221 G225 | L220-S223 PolarHBondContact O-OG 2.89Å; Q221-S223 PolarHBondContact O-N 3.25Å; S223-G225 PolarHBondContact O-N 3.3Å | ||
| 224 | V | 47.6 | Very low | 54.2 | Low | 147 Ų | 147 | 105.8 Ų | 105.8 | 89% | 0.891 | 61% | 0.608 | S | S | * | * | trans | -62.8 | 108.8 | -179.1 | 173.1 | 0 | 0 | 0 | 0 | 109.8 | A222 | A222-V224 PolarHBondContact O-N 2.94Å; A222-V224 VanDerWaalsContact O-N 3.09Å | ||
| 225 | G | 41.9 | Very low | 51.7 | Low | 51 Ų | 51 | 108.1 Ų | 108.1 | 53% | 0.526 | 62% | 0.62 | S | S | . | * | trans | 44.7 | 124.6 | 152 | 0 | 0 | 0 | 0 | 0 | 119.4 | S223 S227 | S223-G225 PolarHBondContact O-N 3.3Å; G225-S227 PolarHBondContact O-N 3.02Å | ||
| 226 | P | 45.5 | Very low | 49 | Very low | 144 Ų | 144 | 116.7 Ų | 116.7 | 94% | 0.935 | 64% | 0.643 | S | S | * | * | trans | -66.2 | 97.3 | 168 | 29.5 | -33.9 | 0 | 0 | 0 | 110.7 | ||||
| 227 | S | 38.4 | Very low | 47.3 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 69% | 0.692 | 68% | 0.676 | S | S | * | * | trans | -143.5 | 58.6 | 172.3 | -152.8 | 0 | 0 | 0 | 0 | 111.6 | G225 V229 | G225-S227 PolarHBondContact O-N 3.02Å; S227-V229 VanDerWaalsContact C-N 3.3Å; S227-V229 PolarHBondContact O-N 3.39Å | ||
| 228 | C | 31.3 | Very low | 45.1 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 91% | 0.905 | 70% | 0.698 | S | S | * | * | trans | -66 | 93.7 | 161.4 | -64 | 0 | 0 | 0 | 0 | 108.2 | S230 | C228-S230 PolarHBondContact O-N 2.81Š| ||
| 229 | V | 30.7 | Very low | 42.6 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | trans | -56.2 | 126.1 | -177.2 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | S227 | S227-V229 VanDerWaalsContact C-N 3.3Å; S227-V229 PolarHBondContact O-N 3.39Å | ||
| 230 | S | 35.9 | Very low | 40.2 | Very low | 89 Ų | 89 | 127.6 Ų | 127.6 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | trans | -54.2 | 136.2 | 178 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | C228 N232 | C228-S230 PolarHBondContact O-N 2.81Å; S230-N232 VanDerWaalsContact C-N 3.31Å; S230-N232 PolarHBondContact O-N 3.05Å | ||
| 231 | P | 36.5 | Very low | 38.4 | Very low | 129 Ų | 129 | 130 Ų | 130 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -73.3 | 84 | -178.9 | 30.7 | -35.5 | 0 | 0 | 0 | 110.7 | H233 | P231-H233 VanDerWaalsContact C-N 3.32Å; P231-H233 PolarHBondContact O-N 2.92Å | ||
| 232 | N | 29.5 | Very low | 36.6 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -68.1 | 93.8 | 169.2 | -92.7 | -59.3 | 0 | 0 | 0 | 109.5 | S230 | S230-N232 VanDerWaalsContact C-N 3.31Å; S230-N232 PolarHBondContact O-N 3.05Å | ||
| 233 | H | 30.9 | Very low | 35.2 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | trans | -53.4 | 140.1 | 173.1 | -177.5 | 84.5 | 0 | 0 | 0 | 110.7 | P231 Q235 | P231-H233 VanDerWaalsContact C-N 3.32Å; P231-H233 PolarHBondContact O-N 2.92Å; H233-Q235 PolarHBondContact CD2-NE2 3.5Å | ||
| 234 | R | 38.6 | Very low | 34.4 | Very low | 227 Ų | 227 | 133 Ų | 133 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -58.7 | 141.5 | -179 | -60.6 | 178.3 | -174.4 | -116.9 | 5.1 | 110.8 | ||||
| 235 | Q | 32.1 | Very low | 33.7 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -159.7 | 133.9 | 134.9 | -110.5 | 143 | 104.9 | 0 | 0 | 112.4 | H233 | H233-Q235 PolarHBondContact CD2-NE2 3.5Š| ||
| 236 | W | 26.8 | Very low | 33.2 | Very low | 226 Ų | 226 | 143.4 Ų | 143.4 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -131.3 | 122 | 162.1 | 175 | -86.2 | 0 | 0 | 0 | 106.2 | ||||
| 237 | P | 42.6 | Very low | 33.4 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | trans | -140.6 | 119 | 131.8 | 30.3 | -13.7 | 0 | 0 | 0 | 113.4 | ||||
| 238 | L | 33.6 | Very low | 33.3 | Very low | 153 Ų | 153 | 143.8 Ų | 143.8 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | 31 | 104.9 | 120 | -167.3 | 75.5 | 0 | 0 | 0 | 117.4 | |||||
| 239 | G | 28.2 | Very low | 33.7 | Very low | 78 Ų | 78 | 145.1 Ų | 145.1 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -170.2 | 122.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 240 | S | 28.4 | Very low | 34.5 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -66.2 | 149.7 | -176.4 | -49.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 241 | S | 32 | Very low | 34.3 | Very low | 98 Ų | 98 | 147.4 Ų | 147.4 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | 157.1 | 131.1 | 95.8 | -161.6 | 0 | 0 | 0 | 0 | 116 | |||||
| 242 | T | 34 | Very low | 33.9 | Very low | 109 Ų | 109 | 147.5 Ų | 147.5 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | trans | 54.7 | 132.7 | 144.1 | 49.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 243 | Q | 30.5 | Very low | 33.9 | Very low | 193 Ų | 193 | 143.8 Ų | 143.8 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | 71.8 | 133.1 | 155 | -62 | 169.2 | 47.6 | 0 | 0 | 117.2 | ||||
| 244 | G | 27.5 | Very low | 33.9 | Very low | 70 Ų | 70 | 143.5 Ų | 143.5 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | cis | 178.8 | -170 | -4.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 245 | L | 32.8 | Very low | 33.7 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | trans | 68.7 | 102.7 | 166.7 | -53.2 | -178.8 | 0 | 0 | 0 | 119.4 | ||||
| 246 | R | 32.1 | Very low | 34.5 | Very low | 236 Ų | 236 | 133.9 Ų | 133.9 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -84.6 | -180 | 147.7 | -121.8 | -171.5 | 165.4 | -164.1 | -3.5 | 108.7 | ||||
| 247 | P | 49.4 | Very low | 34.8 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 62% | 0.617 | 79% | 0.791 | S | S | * | * | cis | -125.9 | -168.3 | -10.4 | 33.6 | -10.7 | 0 | 0 | 0 | 112.5 | ||||
| 248 | L | 35 | Very low | 34.4 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | -174.8 | 161.1 | 86.5 | -90.5 | 170.4 | 0 | 0 | 0 | 113 | |||||
| 249 | L | 40.8 | Very low | 34.1 | Very low | 161 Ų | 161 | 130 Ų | 130 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -124 | 146.9 | 163.1 | -79.9 | 167 | 0 | 0 | 0 | 109 | ||||
| 250 | P | 46.4 | Very low | 34.2 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -122.2 | 132.9 | 140.7 | 1 | 21.1 | 0 | 0 | 0 | 110.8 | ||||
| 251 | L | 32.8 | Very low | 34.8 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | 63.1 | 103.7 | 84.1 | -61.8 | 170.6 | 0 | 0 | 0 | 112.6 | |||||
| 252 | C | 28.4 | Very low | 35.4 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 89% | 0.892 | 79% | 0.792 | S | S | * | * | 82.8 | 118.6 | 68.6 | -72.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 253 | G | 28.2 | Very low | 35.4 | Very low | 77 Ų | 77 | 134.2 Ų | 134.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -161.2 | 156.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 254 | V | 32 | Very low | 36.8 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | trans | -117.4 | 169.3 | -164.5 | -69.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 255 | A | 34.9 | Very low | 37.9 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -79.3 | -164.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 256 | P | 47.8 | Very low | 38 | Very low | 106 Ų | 106 | 132 Ų | 132 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | cis | -144.9 | -167.8 | 12.7 | 36.4 | -10.8 | 0 | 0 | 0 | 118.1 | ||||
| 257 | L | 33.7 | Very low | 38.4 | Very low | 147 Ų | 147 | 128 Ų | 128 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 76.7 | 151.8 | 167.4 | -50.7 | 178.3 | 0 | 0 | 0 | 116.3 | ||||
| 258 | Q | 35 | Very low | 37.7 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | cis | -157.9 | 158.1 | -1.6 | -133.6 | 179 | 32 | 0 | 0 | 112.1 | ||||
| 259 | C | 26.3 | Very low | 37.6 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | trans | 62.4 | 148.4 | 154.7 | -62.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 260 | C | 29.9 | Very low | 37.3 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | cis | -159 | 159.4 | -11.4 | -111.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 261 | L | 41.4 | Very low | 37 | Very low | 162 Ų | 162 | 132.7 Ų | 132.7 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -103.9 | 162.5 | 158.2 | -70.8 | 172.3 | 0 | 0 | 0 | 109.2 | ||||
| 262 | P | 44 | Very low | 37.2 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | -146.2 | -172.8 | 104.1 | 38.8 | -22.6 | 0 | 0 | 0 | 114.7 | |||||
| 263 | A | 34.9 | Very low | 37.4 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -127.4 | 178.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 264 | P | 59.7 | Low | 37.6 | Very low | 118 Ų | 118 | 136 Ų | 136 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -87.4 | 177.5 | -167.3 | 38.9 | -38 | 0 | 0 | 0 | 114.2 | ||||
| 265 | P | 50.8 | Low | 37.7 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | -140.3 | -163.3 | 100.9 | 28.9 | -6.6 | 0 | 0 | 0 | 111.5 | |||||
| 266 | L | 35.6 | Very low | 37.6 | Very low | 165 Ų | 165 | 138 Ų | 138 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | cis | -149.7 | 169.6 | 16.4 | -93.6 | 177.1 | 0 | 0 | 0 | 111.1 | ||||
| 267 | E | 39 | Very low | 37.1 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 71% | 0.71 | 79% | 0.791 | S | S | * | * | trans | -92.7 | 168 | 154.1 | -75.1 | -159.6 | 105.3 | 0 | 0 | 111.7 | ||||
| 268 | P | 34.8 | Very low | 37.5 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | -143.8 | 145.7 | 99.8 | 36.1 | -21.1 | 0 | 0 | 0 | 116.2 | |||||
| 269 | C | 32.6 | Very low | 37.8 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | trans | -64.4 | 139.4 | 172 | -76 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 270 | L | 35.7 | Very low | 38.6 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -139 | 130.5 | 155.2 | -80.4 | -178.3 | 0 | 0 | 0 | 112.8 | ||||
| 271 | R | 39.6 | Very low | 39 | Very low | 219 Ų | 219 | 148.1 Ų | 148.1 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -113.2 | 122.1 | 178.8 | 176 | -144.5 | -76 | 162.9 | -7.2 | 110.5 | ||||
| 272 | P | 36.7 | Very low | 38.9 | Very low | 126 Ų | 126 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -79.4 | 144.3 | 161.5 | -12.8 | 29.9 | 0 | 0 | 0 | 111.8 | ||||
| 273 | R | 32.6 | Very low | 39 | Very low | 235 Ų | 235 | 146.8 Ų | 146.8 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -131.8 | 108.7 | 179.6 | -177.2 | -169.2 | -178.5 | -161.6 | 1.6 | 111.8 | ||||
| 274 | G | 32.1 | Very low | 39.5 | Very low | 71 Ų | 71 | 150.3 Ų | 150.3 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 83 | 162.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 275 | Q | 35.5 | Very low | 38.6 | Very low | 190 Ų | 190 | 152 Ų | 152 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | cis | -139.8 | 160 | 4.9 | -63.4 | -175.3 | 6.8 | 0 | 0 | 113.2 | ||||
| 276 | A | 32 | Very low | 38.3 | Very low | 96 Ų | 96 | 154.6 Ų | 154.6 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | 31.8 | 111.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 277 | A | 36.9 | Very low | 38.3 | Very low | 92 Ų | 92 | 157 Ų | 157 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -143.8 | 94.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | R279 | A277-R279 PolarHBondContact O-N 3.29Š| ||
| 278 | T | 42.5 | Very low | 38.3 | Very low | 142 Ų | 142 | 154.5 Ų | 154.5 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | trans | -65.4 | 117.2 | 175.6 | 45 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 279 | R | 41.1 | Very low | 38.7 | Very low | 189 Ų | 189 | 154 Ų | 154 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | -119.5 | 69.8 | 167.5 | -71.5 | -167 | 178.2 | -100.8 | -1.5 | 112.1 | A277 W281 | A277-R279 PolarHBondContact O-N 3.29Å; R279-W281 PolarHBondContact O-N 3.06Å; R279-W281 VanDerWaalsContact O-N 3.1Å | ||
| 280 | R | 43 | Very low | 39 | Very low | 234 Ų | 234 | 160.8 Ų | 160.8 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -59.1 | 101.2 | 155.5 | 177.4 | -163 | -60.9 | -89.2 | 2.3 | 107.8 | G282 | R280-G282 PolarHBondContact O-N 3.26Š| ||
| 281 | W | 37.8 | Very low | 39.5 | Very low | 184 Ų | 184 | 161 Ų | 161 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | trans | -77.3 | 75.3 | 175.2 | -78.7 | 109.3 | 0 | 0 | 0 | 111.2 | R279 | R279-W281 PolarHBondContact O-N 3.06Å; R279-W281 VanDerWaalsContact O-N 3.1Å | ||
| 282 | G | 39.1 | Very low | 39.5 | Very low | 53 Ų | 53 | 153.6 Ų | 153.6 | 55% | 0.546 | 78% | 0.783 | S | S | . | * | trans | -87.4 | 127.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R280 | R280-G282 PolarHBondContact O-N 3.26Š| ||
| 283 | R | 47.1 | Very low | 39.7 | Very low | 210 Ų | 210 | 153.8 Ų | 153.8 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -136.1 | 88 | 151.8 | -77.3 | -171.2 | -86.1 | -106.4 | 3.2 | 105.2 | ||||
| 284 | Q | 44.4 | Very low | 39.9 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | 59.9 | 77.2 | 77.6 | -164.8 | 174.5 | 1.9 | 0 | 0 | 110.9 | Q286 | Q284-Q286 PolarHBondContact O-N 2.77Š| |||
| 285 | L | 41.6 | Very low | 40.5 | Very low | 154 Ų | 154 | 149.7 Ų | 149.7 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | trans | -63 | 124.3 | 161.7 | -68.9 | 168.7 | 0 | 0 | 0 | 108.2 | Y287 | L285-Y287 PolarHBondContact O-N 2.75Š| ||
| 286 | Q | 44.1 | Very low | 41.2 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -85.5 | 110.2 | 173 | -66.7 | -179.2 | 0.1 | 0 | 0 | 108.6 | Q284 S288 | Q284-Q286 PolarHBondContact O-N 2.77Å; Q286-S288 PolarHBondContact O-N 2.7Å | ||
| 287 | Y | 35.5 | Very low | 42.2 | Very low | 217 Ų | 217 | 148.1 Ų | 148.1 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -77.4 | 106.8 | 163.5 | -84 | -92.7 | 0 | 0 | 0 | 108.5 | L285 P289 | L285-Y287 PolarHBondContact O-N 2.75Å; Y287-P289 WeakPolarHBondContact O-CD 3.45Å | ||
| 288 | S | 40.1 | Very low | 42.1 | Very low | 99 Ų | 99 | 152.6 Ų | 152.6 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | -81.2 | 119.8 | 166.8 | -64.3 | 0 | 0 | 0 | 0 | 109.6 | Q286 R290 | Q286-S288 PolarHBondContact O-N 2.7Å; S288-R290 PolarHBondContact O-N 2.66Å | ||
| 289 | P | 42 | Very low | 42 | Very low | 114 Ų | 114 | 151.3 Ų | 151.3 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | trans | -70.1 | 109.7 | 165.9 | -7 | 23.7 | 0 | 0 | 0 | 107.8 | Y287 E291 | Y287-P289 WeakPolarHBondContact O-CD 3.45Å; P289-E291 PolarHBondContact O-N 3.07Å | ||
| 290 | R | 40.7 | Very low | 42.3 | Very low | 243 Ų | 243 | 148.3 Ų | 148.3 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -96.4 | 72.7 | 173.3 | -163.9 | 179.1 | -167.9 | -121.9 | -2.8 | 110.5 | S288 | S288-R290 PolarHBondContact O-N 2.66Š| ||
| 291 | E | 44.5 | Very low | 42.2 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -72 | 148.5 | 166.2 | -65.8 | -178.8 | 108.7 | 0 | 0 | 110.7 | P289 | P289-E291 PolarHBondContact O-N 3.07Š| ||
| 292 | G | 39.8 | Very low | 42.4 | Very low | 63 Ų | 63 | 137.3 Ų | 137.3 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | 94 | 107.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 293 | S | 41.6 | Very low | 42.6 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | 101.6 | 96.6 | 130.9 | -53.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 294 | A | 37.4 | Very low | 42.6 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -161.5 | 68.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 295 | S | 43.6 | Very low | 42.7 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -121.1 | 91.2 | 178.2 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 296 | T | 50.5 | Low | 43.9 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | trans | -151 | 159.1 | 170.6 | 15.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 297 | P | 52.5 | Low | 44.4 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 85% | 0.846 | S | S | * | * | trans | -103.9 | 165.2 | -139.4 | 38.9 | -38.2 | 0 | 0 | 0 | 115.1 | ||||
| 298 | M | 34.4 | Very low | 44.8 | Very low | 186 Ų | 186 | 131 Ų | 131 | 92% | 0.916 | 85% | 0.846 | S | S | * | * | trans | -130.7 | 127.4 | 158.1 | -100.7 | -67.1 | 158.6 | 0 | 0 | 110.8 | ||||
| 299 | S | 42.1 | Very low | 45.1 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 85% | 0.854 | S | S | * | * | trans | -84 | 140.3 | 173.9 | -56 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 300 | S | 46.2 | Very low | 45.3 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 88% | 0.881 | 86% | 0.861 | S | S | * | * | trans | -137.8 | 147.1 | 153.1 | 54.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 301 | A | 41.3 | Very low | 45.5 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 79% | 0.793 | 86% | 0.857 | S | S | * | * | trans | -127 | 155 | -160.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 302 | A | 42.9 | Very low | 45.6 | Very low | 91 Ų | 91 | 124 Ų | 124 | 75% | 0.752 | 86% | 0.859 | S | S | * | * | trans | 61.4 | 124.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 303 | S | 41.4 | Very low | 46 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 89% | 0.888 | 87% | 0.873 | S | S | * | * | -150.4 | 156.8 | 105.2 | -81.2 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 304 | Q | 47.9 | Very low | 46.3 | Very low | 188 Ų | 188 | 127.9 Ų | 127.9 | 88% | 0.879 | 87% | 0.87 | S | S | * | * | trans | -91.6 | 158.8 | -172.4 | -62.1 | 179.2 | 0.6 | 0 | 0 | 112.4 | ||||
| 305 | A | 46.2 | Very low | 47 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 81% | 0.81 | 87% | 0.873 | S | S | * | * | trans | -135.2 | 120 | 150.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 306 | P | 67.6 | Low | 47.2 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 88% | 0.876 | S | S | * | * | trans | -81.9 | 167.1 | 166.7 | 34.9 | -33.5 | 0 | 0 | 0 | 111.1 | ||||
| 307 | A | 53.8 | Low | 46.9 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 100% | 1.438 | 88% | 0.878 | S | S | * | * | trans | -94.6 | 0 | 164 | 0 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 307 of 307 residues in 524.9 ms
(Link to these results)