| 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 | 60.2 | Low | 81 | Confident | 205 Ų | 205 | 115.1 Ų | 115.1 | 100% | 1.01 | 57% | 0.574 | S | S | * | * | 0 | 168.4 | 0 | -63 | 176.8 | -175 | 0 | 0 | 109 | |||||
| 2 | N | 72.3 | Confident | 81.8 | Confident | 87 Ų | 87 | 113.9 Ų | 113.9 | 47% | 0.465 | 57% | 0.57 | S | S | . | * | trans | -104.9 | 93.7 | 178.7 | -172.7 | -121.1 | 0 | 0 | 0 | 109 | E4 K5 | N2-E4 VanDerWaalsContact C-N 3.26Å; N2-E4 PolarHBondContact O-N 3.36Å; N2-K5 PolarHBondContact O-N 3.37Å; N2-K5 WeakPolarHBondContact OD1-CD 3.37Å; N2-K5 WeakPolarHBondContact OD1-CE 3.43Å; N2-K5 WeakPolarHBondContact OD1-CG 3.32Å | ||
| 3 | L | 71.9 | Confident | 82.6 | Confident | 102 Ų | 102 | 111.8 Ų | 111.8 | 53% | 0.534 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -61.8 | -31.4 | -166 | -81.4 | 67.6 | 0 | 0 | 0 | 113.3 | K5 L6 | L3-K5 PolarHBondContact O-N 2.87Å; L3-L6 PolarHBondContact O-N 3.42Å |
| 4 | E | 75.2 | Confident | 83.2 | Confident | 182 Ų | 182 | 107.2 Ų | 107.2 | 85% | 0.85 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -63.2 | -9.9 | 179.5 | -60 | 176 | 159 | 0 | 0 | 114.3 | N2 | N2-E4 VanDerWaalsContact C-N 3.26Å; N2-E4 PolarHBondContact O-N 3.36Å |
| 5 | K | 80.3 | Confident | 83.8 | Confident | 170 Ų | 170 | 108.3 Ų | 108.3 | 74% | 0.739 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -106.3 | -1.2 | -180 | -66.3 | -179.5 | -175.7 | 174.2 | 0 | 114.2 | N2 L3 | N2-K5 PolarHBondContact O-N 3.37Å; N2-K5 WeakPolarHBondContact OD1-CD 3.37Å; N2-K5 WeakPolarHBondContact OD1-CE 3.43Å; N2-K5 WeakPolarHBondContact OD1-CG 3.32Å; L3-K5 PolarHBondContact O-N 2.87Å |
| 6 | L | 82.8 | Confident | 84.4 | Confident | 54 Ų | 54 | 106.1 Ų | 106.1 | 28% | 0.283 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -79.9 | 135.8 | 174.7 | -62.4 | 177.5 | 0 | 0 | 0 | 110 | L3 E10 L11 L14 | L3-L6 PolarHBondContact O-N 3.42Å; L6-E10 HydrophobicContact CB-CB 4.29Å; L6-E10 HydrophobicContact CD2-CB 4.37Å; L6-L11 HydrophobicContact CB-CB 4.33Å; L6-L11 HydrophobicContact CD1-CD1 4.37Å; L6-L14 HydrophobicContact CD1-CD2 3.81Å |
| 7 | S | 87.5 | Confident | 85 | Confident | 54 Ų | 54 | 105.8 Ų | 105.8 | 38% | 0.378 | 54% | 0.541 | S | S | . | . | trans | -69.8 | 158.9 | 169.9 | 71.1 | 0 | 0 | 0 | 0 | 110.8 | P9 E10 L11 | S7-P9 VanDerWaalsContact C-CD 3.5Å; S7-P9 WeakPolarHBondContact OG-CD 3.3Å; S7-E10 WeakPolarHBondContact CB-OE2 3.27Å; S7-E10 PolarHBondContact N-OE2 3.46Å; S7-E10 PolarHBondContact O-N 3.02Å; S7-E10 VanDerWaalsContact OG-CD 3.32Å; S7-E10 WeakPolarHBondContact OG-CG 3.24Å; S7-E10 PolarHBondContact OG-OE2 2.86Å; S7-L11 PolarHBondContact O-N 3.34Å | ||
| 8 | K | 88.1 | Confident | 85.5 | Confident | 168 Ų | 168 | 104.6 Ų | 104.6 | 73% | 0.73 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -48.8 | -44.7 | -179.6 | -172.2 | 174.7 | 179.4 | -179.7 | 0 | 114.9 | L12 | K8-L12 HydrophobicContact CG-CD1 4.26Å; K8-L12 WeakPolarHBondContact O-CG 3.29Å; K8-L12 PolarHBondContact O-N 3.49Å; K8-L12 VanDerWaalsContact O-N 3.09Å |
| 9 | P | 91.6 | Very high | 85.9 | Confident | 83 Ų | 83 | 105.2 Ų | 105.2 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.5 | -34.7 | 177.2 | 27.2 | -35.3 | 0 | 0 | 0 | 113.7 | S7 L12 T13 | S7-P9 VanDerWaalsContact C-CD 3.5Å; S7-P9 WeakPolarHBondContact OG-CD 3.3Å; P9-L12 PolarHBondContact O-N 2.84Å; P9-T13 WeakPolarHBondContact O-CB 3.11Å; P9-T13 PolarHBondContact O-N 3.41Å; P9-T13 PolarHBondContact O-OG1 3.28Å |
| 10 | E | 90.3 | Very high | 86.4 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 49% | 0.486 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 175.7 | -66 | 166.3 | 121.2 | 0 | 0 | 110.9 | L6 S7 T13 L14 | L6-E10 HydrophobicContact CB-CB 4.29Å; L6-E10 HydrophobicContact CD2-CB 4.37Å; S7-E10 WeakPolarHBondContact CB-OE2 3.27Å; S7-E10 PolarHBondContact N-OE2 3.46Å; S7-E10 PolarHBondContact O-N 3.02Å; S7-E10 VanDerWaalsContact OG-CD 3.32Å; S7-E10 WeakPolarHBondContact OG-CG 3.24Å; S7-E10 PolarHBondContact OG-OE2 2.86Å; E10-T13 PolarHBondContact O-N 3.28Å; E10-L14 WeakPolarHBondContact O-CB 3.5Å; E10-L14 PolarHBondContact O-N 3.39Å |
| 11 | L | 90.6 | Very high | 86.9 | Confident | 57 Ų | 57 | 100.7 Ų | 100.7 | 30% | 0.298 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 177.1 | -176.7 | 62 | 0 | 0 | 0 | 112 | L6 S7 L14 F15 | L6-L11 HydrophobicContact CB-CB 4.33Å; L6-L11 HydrophobicContact CD1-CD1 4.37Å; S7-L11 PolarHBondContact O-N 3.34Å; L11-L14 PolarHBondContact O-N 2.96Å; L11-F15 HydrophobicContact CD1-CD2 4.08Å; L11-F15 HydrophobicContact CD1-CE2 3.67Å; L11-F15 HydrophobicContact CD1-CZ 4.48Å; L11-F15 HydrophobicContact CD2-CE2 4.27Å; L11-F15 HydrophobicContact CG-CD2 3.97Å; L11-F15 HydrophobicContact CG-CE2 3.74Å; L11-F15 VanDerWaalsContact O-CD2 3.22Å; L11-F15 WeakPolarHBondContact O-CD2 3.37Å; L11-F15 PolarHBondContact O-N 2.81Å |
| 12 | L | 91.4 | Very high | 88.6 | Confident | 101 Ų | 101 | 95.8 Ų | 95.8 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 173.4 | -79.3 | 166 | 0 | 0 | 0 | 111.9 | K8 P9 L14 F15 S16 | K8-L12 HydrophobicContact CG-CD1 4.26Å; K8-L12 WeakPolarHBondContact O-CG 3.29Å; K8-L12 PolarHBondContact O-N 3.49Å; K8-L12 VanDerWaalsContact O-N 3.09Å; P9-L12 PolarHBondContact O-N 2.84Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 2.78Å; L12-F15 PolarHBondContact O-N 3.17Å; L12-S16 PolarHBondContact O-N 2.91Å |
| 13 | T | 91.8 | Very high | 89.7 | Confident | 86 Ų | 86 | 97.5 Ų | 97.5 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 176.7 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | P9 E10 S16 I17 | P9-T13 WeakPolarHBondContact O-CB 3.11Å; P9-T13 PolarHBondContact O-N 3.41Å; P9-T13 PolarHBondContact O-OG1 3.28Å; E10-T13 PolarHBondContact O-N 3.28Å; T13-S16 PolarHBondContact O-N 3.36Å; T13-I17 HydrophobicContact CG2-CD1 4.12Å; T13-I17 VanDerWaalsContact O-CG1 3.31Å; T13-I17 WeakPolarHBondContact O-CG1 3.13Å; T13-I17 PolarHBondContact O-N 3.24Å; T13-I17 VanDerWaalsContact O-N 3.13Å |
| 14 | L | 91.6 | Very high | 90.8 | Very high | 48 Ų | 48 | 95.3 Ų | 95.3 | 25% | 0.251 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 175.7 | -179.2 | 60.8 | 0 | 0 | 0 | 112.2 | L6 E10 L11 L12 I17 L18 | L6-L14 HydrophobicContact CD1-CD2 3.81Å; E10-L14 WeakPolarHBondContact O-CB 3.5Å; E10-L14 PolarHBondContact O-N 3.39Å; L11-L14 PolarHBondContact O-N 2.96Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 2.78Å; L14-I17 PolarHBondContact O-N 3.38Å; L14-L18 HydrophobicContact CD1-CD1 4.19Å; L14-L18 HydrophobicContact CD1-CG 4.33Å; L14-L18 HydrophobicContact CG-CD1 4.03Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.41Å; L14-L18 PolarHBondContact O-N 3.36Å |
| 15 | F | 91.4 | Very high | 91.8 | Very high | 123 Ų | 123 | 93.2 Ų | 93.2 | 54% | 0.539 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 175.9 | -85.8 | -62.1 | 0 | 0 | 0 | 112.3 | L11 L12 I17 L18 E19 | L11-F15 HydrophobicContact CD1-CD2 4.08Å; L11-F15 HydrophobicContact CD1-CE2 3.67Å; L11-F15 HydrophobicContact CD1-CZ 4.48Å; L11-F15 HydrophobicContact CD2-CE2 4.27Å; L11-F15 HydrophobicContact CG-CD2 3.97Å; L11-F15 HydrophobicContact CG-CE2 3.74Å; L11-F15 VanDerWaalsContact O-CD2 3.22Å; L11-F15 WeakPolarHBondContact O-CD2 3.37Å; L11-F15 PolarHBondContact O-N 2.81Å; L12-F15 PolarHBondContact O-N 3.17Å; F15-I17 VanDerWaalsContact C-N 3.27Å; F15-I17 PolarHBondContact O-N 2.82Å; F15-L18 PolarHBondContact O-N 3.23Å; F15-L18 VanDerWaalsContact O-N 3.12Å; F15-E19 WeakPolarHBondContact O-CB 3.37Å; F15-E19 PolarHBondContact O-N 2.83Å |
| 16 | S | 93.1 | Very high | 92.5 | Very high | 74 Ų | 74 | 89.6 Ų | 89.6 | 52% | 0.517 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.4 | -27.8 | 178.3 | -61.9 | 0 | 0 | 0 | 0 | 113.6 | L12 T13 G20 | L12-S16 PolarHBondContact O-N 2.91Å; T13-S16 PolarHBondContact O-N 3.36Å; S16-G20 PolarHBondContact O-N 3.19Å |
| 17 | I | 94.3 | Very high | 93.1 | Very high | 101 Ų | 101 | 92.6 Ų | 92.6 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.7 | -44.1 | 171.1 | -69.4 | 166.1 | 0 | 0 | 0 | 110.9 | T13 L14 F15 E19 G20 E21 | T13-I17 HydrophobicContact CG2-CD1 4.12Å; T13-I17 VanDerWaalsContact O-CG1 3.31Å; T13-I17 WeakPolarHBondContact O-CG1 3.13Å; T13-I17 PolarHBondContact O-N 3.24Å; T13-I17 VanDerWaalsContact O-N 3.13Å; L14-I17 PolarHBondContact O-N 3.38Å; F15-I17 VanDerWaalsContact C-N 3.27Å; F15-I17 PolarHBondContact O-N 2.82Å; I17-E19 VanDerWaalsContact C-N 3.34Å; I17-G20 PolarHBondContact O-N 3.48Å; I17-E21 WeakPolarHBondContact O-CB 3.44Å; I17-E21 PolarHBondContact O-N 2.8Å |
| 18 | L | 93.9 | Very high | 93.5 | Very high | 84 Ų | 84 | 94.1 Ų | 94.1 | 44% | 0.44 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.9 | -32.4 | 178.9 | -70 | 169.4 | 0 | 0 | 0 | 112.8 | L14 F15 L22 | L14-L18 HydrophobicContact CD1-CD1 4.19Å; L14-L18 HydrophobicContact CD1-CG 4.33Å; L14-L18 HydrophobicContact CG-CD1 4.03Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.41Å; L14-L18 PolarHBondContact O-N 3.36Å; F15-L18 PolarHBondContact O-N 3.23Å; F15-L18 VanDerWaalsContact O-N 3.12Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 PolarHBondContact O-N 2.82Å |
| 19 | E | 94.4 | Very high | 93.8 | Very high | 116 Ų | 116 | 89.4 Ų | 89.4 | 54% | 0.542 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62 | -54.7 | 172.1 | -174.2 | 168.3 | -137.9 | 0 | 0 | 110.4 | F15 I17 E21 L22 E23 | F15-E19 WeakPolarHBondContact O-CB 3.37Å; F15-E19 PolarHBondContact O-N 2.83Å; I17-E19 VanDerWaalsContact C-N 3.34Å; E19-E21 VanDerWaalsContact C-N 3.34Å; E19-E21 PolarHBondContact O-N 3.06Å; E19-L22 WeakPolarHBondContact O-CB 3.46Å; E19-L22 PolarHBondContact O-N 2.64Å; E19-L22 VanDerWaalsContact O-N 3.09Å; E19-E23 PolarHBondContact O-N 3.44Å |
| 20 | G | 96.1 | Very high | 94 | Very high | 33 Ų | 33 | 91.4 Ų | 91.4 | 34% | 0.34 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.4 | -31.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S16 I17 L22 A24 | S16-G20 PolarHBondContact O-N 3.19Å; I17-G20 PolarHBondContact O-N 3.48Å; G20-L22 VanDerWaalsContact C-N 3.33Å; G20-A24 VanDerWaalsContact O-CB 3.25Å; G20-A24 WeakPolarHBondContact O-CB 3.4Å; G20-A24 PolarHBondContact O-N 3.21Å |
| 21 | E | 95.9 | Very high | 94.2 | Very high | 82 Ų | 82 | 89.3 Ų | 89.3 | 38% | 0.383 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -35.5 | 172.4 | -173.1 | -176.4 | 125.7 | 0 | 0 | 111.8 | I17 E19 R25 | I17-E21 WeakPolarHBondContact O-CB 3.44Å; I17-E21 PolarHBondContact O-N 2.8Å; E19-E21 VanDerWaalsContact C-N 3.34Å; E19-E21 PolarHBondContact O-N 3.06Å; E21-R25 VanDerWaalsContact O-CG 3.32Å; E21-R25 WeakPolarHBondContact O-CG 3.42Å; E21-R25 PolarHBondContact O-N 3.47Å; E21-R25 IonicContact OE1-CZ 3.84Å; E21-R25 IonicContact OE1-NH1 2.64Å; E21-R25 PolarHBondContact OE1-NH1 3.13Å; E21-R25 IonicContact OE1-NH2 3.64Å; E21-R25 PolarHBondContact OE1-NH2 2.78Å |
| 22 | L | 96.1 | Very high | 94.4 | Very high | 102 Ų | 102 | 91.2 Ų | 91.2 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.5 | -48.3 | 177.1 | -172 | 65.6 | 0 | 0 | 0 | 111.3 | L18 E19 G20 A24 R25 D26 | L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 PolarHBondContact O-N 2.82Å; E19-L22 WeakPolarHBondContact O-CB 3.46Å; E19-L22 PolarHBondContact O-N 2.64Å; E19-L22 VanDerWaalsContact O-N 3.09Å; G20-L22 VanDerWaalsContact C-N 3.33Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 2.85Å; L22-R25 WeakPolarHBondContact O-CB 3.49Å; L22-R25 PolarHBondContact O-N 2.85Å; L22-D26 PolarHBondContact O-N 3.32Å |
| 23 | E | 95.9 | Very high | 94.5 | Very high | 124 Ų | 124 | 92.5 Ų | 92.5 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.8 | -43.8 | 176 | -68.9 | -175.8 | 155.8 | 0 | 0 | 111.9 | E19 R25 D26 L27 | E19-E23 PolarHBondContact O-N 3.44Å; E23-R25 VanDerWaalsContact C-N 3.29Å; E23-R25 PolarHBondContact O-N 2.78Å; E23-D26 PolarHBondContact O-N 3.03Å; E23-L27 WeakPolarHBondContact O-CG 3.37Å; E23-L27 PolarHBondContact O-N 3.15Å |
| 24 | A | 95.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 90 Ų | 90 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63 | -34.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G20 L22 V28 | G20-A24 VanDerWaalsContact O-CB 3.25Å; G20-A24 WeakPolarHBondContact O-CB 3.4Å; G20-A24 PolarHBondContact O-N 3.21Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 2.85Å; A24-V28 WeakPolarHBondContact O-CG2 3.39Å; A24-V28 PolarHBondContact O-N 3.42Å |
| 25 | R | 95.4 | Very high | 94.4 | Very high | 139 Ų | 139 | 93.5 Ų | 93.5 | 53% | 0.525 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.6 | -43.9 | 173.8 | -79.3 | 173.8 | 173.4 | 145.5 | 11.5 | 112.1 | E21 L22 E23 L27 V28 I29 | E21-R25 VanDerWaalsContact O-CG 3.32Å; E21-R25 WeakPolarHBondContact O-CG 3.42Å; E21-R25 PolarHBondContact O-N 3.47Å; E21-R25 IonicContact OE1-CZ 3.84Å; E21-R25 IonicContact OE1-NH1 2.64Å; E21-R25 PolarHBondContact OE1-NH1 3.13Å; E21-R25 IonicContact OE1-NH2 3.64Å; E21-R25 PolarHBondContact OE1-NH2 2.78Å; L22-R25 WeakPolarHBondContact O-CB 3.49Å; L22-R25 PolarHBondContact O-N 2.85Å; E23-R25 VanDerWaalsContact C-N 3.29Å; E23-R25 PolarHBondContact O-N 2.78Å; R25-L27 VanDerWaalsContact C-N 3.34Å; R25-L27 PolarHBondContact O-N 3.37Å; R25-V28 PolarHBondContact O-N 2.87Å; R25-I29 WeakPolarHBondContact O-CB 3.27Å; R25-I29 VanDerWaalsContact O-CG1 3.25Å; R25-I29 WeakPolarHBondContact O-CG1 3.26Å; R25-I29 PolarHBondContact O-N 3.11Å |
| 26 | D | 95.1 | Very high | 94.3 | Very high | 93 Ų | 93 | 93.1 Ų | 93.1 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 179.6 | -80 | -31.6 | 0 | 0 | 0 | 111.7 | L22 E23 I29 E30 | L22-D26 PolarHBondContact O-N 3.32Å; E23-D26 PolarHBondContact O-N 3.03Å; D26-I29 PolarHBondContact O-N 3.05Å; D26-E30 WeakPolarHBondContact O-CB 3.35Å; D26-E30 PolarHBondContact O-N 3.34Å |
| 27 | L | 95.4 | Very high | 94 | Very high | 118 Ų | 118 | 96.4 Ų | 96.4 | 62% | 0.618 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.7 | -42.9 | 171 | -73.6 | 170.4 | 0 | 0 | 0 | 112.8 | E23 R25 E30 A31 | E23-L27 WeakPolarHBondContact O-CG 3.37Å; E23-L27 PolarHBondContact O-N 3.15Å; R25-L27 VanDerWaalsContact C-N 3.34Å; R25-L27 PolarHBondContact O-N 3.37Å; L27-E30 PolarHBondContact O-N 3.43Å; L27-A31 WeakPolarHBondContact O-CB 3.42Å; L27-A31 PolarHBondContact O-N 2.8Å |
| 28 | V | 96.3 | Very high | 93.6 | Very high | 85 Ų | 85 | 96.4 Ų | 96.4 | 52% | 0.515 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 175.7 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | A24 R25 A31 L32 | A24-V28 WeakPolarHBondContact O-CG2 3.39Å; A24-V28 PolarHBondContact O-N 3.42Å; R25-V28 PolarHBondContact O-N 2.87Å; V28-A31 PolarHBondContact O-N 3.42Å; V28-L32 HydrophobicContact CG1-CD1 3.88Å; V28-L32 HydrophobicContact CG1-CG 4.38Å; V28-L32 WeakPolarHBondContact O-CB 3.42Å; V28-L32 VanDerWaalsContact O-CG 3.28Å; V28-L32 WeakPolarHBondContact O-CG 3.36Å; V28-L32 PolarHBondContact O-N 3.41Å |
| 29 | I | 94.7 | Very high | 93.2 | Very high | 70 Ų | 70 | 95.4 Ų | 95.4 | 36% | 0.359 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 175.3 | -72.2 | 165.6 | 0 | 0 | 0 | 110.7 | R25 D26 K33 | R25-I29 WeakPolarHBondContact O-CB 3.27Å; R25-I29 VanDerWaalsContact O-CG1 3.25Å; R25-I29 WeakPolarHBondContact O-CG1 3.26Å; R25-I29 PolarHBondContact O-N 3.11Å; D26-I29 PolarHBondContact O-N 3.05Å; I29-K33 HydrophobicContact CG2-CD 3.9Å; I29-K33 VanDerWaalsContact CG2-CE 3.42Å; I29-K33 VanDerWaalsContact CG2-NZ 3.3Å; I29-K33 VanDerWaalsContact O-CB 3.29Å; I29-K33 WeakPolarHBondContact O-CB 3.46Å; I29-K33 WeakPolarHBondContact O-CD 3.27Å; I29-K33 WeakPolarHBondContact O-CG 3.4Å; I29-K33 PolarHBondContact O-N 2.93Å |
| 30 | E | 95.7 | Very high | 92.7 | Very high | 124 Ų | 124 | 94.7 Ų | 94.7 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.7 | -45.1 | 174.4 | -178.6 | 161.5 | -148.6 | 0 | 0 | 111.7 | D26 L27 L32 K33 A34 | D26-E30 WeakPolarHBondContact O-CB 3.35Å; D26-E30 PolarHBondContact O-N 3.34Å; L27-E30 PolarHBondContact O-N 3.43Å; E30-L32 PolarHBondContact O-N 3.47Å; E30-K33 CarbonylContact O-C 3.55Å; E30-K33 PolarHBondContact O-N 3.12Å; E30-K33 VanDerWaalsContact O-N 3.17Å; E30-A34 PolarHBondContact O-N 3.5Å |
| 31 | A | 94 | Very high | 92 | Very high | 60 Ų | 60 | 97.4 Ų | 97.4 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L27 V28 A34 Q35 | L27-A31 WeakPolarHBondContact O-CB 3.42Å; L27-A31 PolarHBondContact O-N 2.8Å; V28-A31 PolarHBondContact O-N 3.42Å; A31-A34 WeakPolarHBondContact O-CB 3.33Å; A31-A34 PolarHBondContact O-N 2.91Å; A31-Q35 WeakPolarHBondContact O-CB 3.43Å; A31-Q35 PolarHBondContact O-N 3.17Å |
| 32 | L | 94.5 | Very high | 91.2 | Very high | 98 Ų | 98 | 100.3 Ų | 100.3 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -35.3 | 175.3 | -70.4 | 170.8 | 0 | 0 | 0 | 112.2 | V28 E30 A34 N36 | V28-L32 HydrophobicContact CG1-CD1 3.88Å; V28-L32 HydrophobicContact CG1-CG 4.38Å; V28-L32 WeakPolarHBondContact O-CB 3.42Å; V28-L32 VanDerWaalsContact O-CG 3.28Å; V28-L32 WeakPolarHBondContact O-CG 3.36Å; V28-L32 PolarHBondContact O-N 3.41Å; E30-L32 PolarHBondContact O-N 3.47Å; L32-A34 VanDerWaalsContact C-N 3.35Å; L32-N36 WeakPolarHBondContact O-CB 3.46Å; L32-N36 PolarHBondContact O-N 2.78Å |
| 33 | K | 92.8 | Very high | 90.5 | Very high | 128 Ų | 128 | 101.5 Ų | 101.5 | 56% | 0.557 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.8 | -28 | 172.3 | -77.1 | 167.8 | -179 | 167.7 | 0 | 112.9 | I29 E30 R37 | I29-K33 HydrophobicContact CG2-CD 3.9Å; I29-K33 VanDerWaalsContact CG2-CE 3.42Å; I29-K33 VanDerWaalsContact CG2-NZ 3.3Å; I29-K33 VanDerWaalsContact O-CB 3.29Å; I29-K33 WeakPolarHBondContact O-CB 3.46Å; I29-K33 WeakPolarHBondContact O-CD 3.27Å; I29-K33 WeakPolarHBondContact O-CG 3.4Å; I29-K33 PolarHBondContact O-N 2.93Å; E30-K33 CarbonylContact O-C 3.55Å; E30-K33 PolarHBondContact O-N 3.12Å; E30-K33 VanDerWaalsContact O-N 3.17Å; K33-R37 VanDerWaalsContact O-CG 3.32Å; K33-R37 WeakPolarHBondContact O-CG 3.2Å; K33-R37 PolarHBondContact O-N 2.84Å; K33-R37 PolarHBondContact O-NE 2.81Å |
| 34 | A | 91.2 | Very high | 89.2 | Confident | 32 Ų | 32 | 102 Ų | 102 | 26% | 0.264 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72 | -57.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | E30 A31 L32 N36 R37 D38 | E30-A34 PolarHBondContact O-N 3.5Å; A31-A34 WeakPolarHBondContact O-CB 3.33Å; A31-A34 PolarHBondContact O-N 2.91Å; L32-A34 VanDerWaalsContact C-N 3.35Å; A34-N36 VanDerWaalsContact C-N 3.3Å; A34-N36 PolarHBondContact O-N 3.31Å; A34-R37 WeakPolarHBondContact O-CA 3.27Å; A34-R37 WeakPolarHBondContact O-CB 3.5Å; A34-R37 PolarHBondContact O-N 3.18Å; A34-D38 PolarHBondContact O-N 2.72Å |
| 35 | Q | 90.9 | Very high | 88 | Confident | 122 Ų | 122 | 103.6 Ų | 103.6 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -51.9 | -45.9 | 178 | -172.9 | -179.2 | 9.8 | 0 | 0 | 112.4 | A31 R37 D38 T39 | A31-Q35 WeakPolarHBondContact O-CB 3.43Å; A31-Q35 PolarHBondContact O-N 3.17Å; Q35-R37 VanDerWaalsContact C-N 3.34Å; Q35-R37 PolarHBondContact O-N 2.86Å; Q35-D38 PolarHBondContact O-N 2.79Å; Q35-T39 PolarHBondContact O-N 2.77Å; Q35-T39 PolarHBondContact O-OG1 3.21Å; Q35-T39 VanDerWaalsContact O-OG1 3.04Å |
| 36 | N | 90.1 | Very high | 86.8 | Confident | 115 Ų | 115 | 99.7 Ų | 99.7 | 62% | 0.615 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72 | -24.9 | -180 | -161.7 | 17.1 | 0 | 0 | 0 | 113.2 | L32 A34 F40 | L32-N36 WeakPolarHBondContact O-CB 3.46Å; L32-N36 PolarHBondContact O-N 2.78Å; A34-N36 VanDerWaalsContact C-N 3.3Å; A34-N36 PolarHBondContact O-N 3.31Å; N36-F40 WeakPolarHBondContact O-CB 3.48Å; N36-F40 PolarHBondContact O-N 2.8Å; N36-F40 VanDerWaalsContact O-N 3.09Å |
| 37 | R | 86.7 | Confident | 85.7 | Confident | 144 Ų | 144 | 103 Ų | 103 | 54% | 0.543 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69 | -44.7 | 168.1 | -83.6 | 177 | -72.8 | 162.2 | -4 | 110.6 | K33 A34 Q35 F40 I41 | K33-R37 VanDerWaalsContact O-CG 3.32Å; K33-R37 WeakPolarHBondContact O-CG 3.2Å; K33-R37 PolarHBondContact O-N 2.84Å; K33-R37 PolarHBondContact O-NE 2.81Å; A34-R37 WeakPolarHBondContact O-CA 3.27Å; A34-R37 WeakPolarHBondContact O-CB 3.5Å; A34-R37 PolarHBondContact O-N 3.18Å; Q35-R37 VanDerWaalsContact C-N 3.34Å; Q35-R37 PolarHBondContact O-N 2.86Å; R37-F40 PolarHBondContact O-N 3.37Å; R37-I41 WeakPolarHBondContact O-CB 3.25Å; R37-I41 WeakPolarHBondContact O-CD1 3.38Å; R37-I41 VanDerWaalsContact O-CG1 3.24Å; R37-I41 WeakPolarHBondContact O-CG1 3.27Å; R37-I41 PolarHBondContact O-N 2.61Å |
| 38 | D | 85 | Confident | 84.5 | Confident | 101 Ų | 101 | 100 Ų | 100 | 54% | 0.54 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.7 | -45 | -178.6 | -60.2 | -28.6 | 0 | 0 | 0 | 110.7 | A34 Q35 F40 I41 E42 | A34-D38 PolarHBondContact O-N 2.72Å; Q35-D38 PolarHBondContact O-N 2.79Å; D38-F40 PolarHBondContact O-N 3.38Å; D38-I41 PolarHBondContact O-N 2.81Å; D38-E42 WeakPolarHBondContact O-CB 3.33Å; D38-E42 PolarHBondContact O-N 2.95Å |
| 39 | T | 85.1 | Confident | 83.3 | Confident | 63 Ų | 63 | 100.9 Ų | 100.9 | 39% | 0.387 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 172 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | Q35 I41 E42 E43 | Q35-T39 PolarHBondContact O-N 2.77Å; Q35-T39 PolarHBondContact O-OG1 3.21Å; Q35-T39 VanDerWaalsContact O-OG1 3.04Å; T39-I41 VanDerWaalsContact C-N 3.29Å; T39-I41 PolarHBondContact O-N 2.59Å; T39-E42 PolarHBondContact O-N 3.29Å; T39-E42 VanDerWaalsContact O-N 3.17Å; T39-E43 HydrophobicContact CG2-CG 4.43Å; T39-E43 PolarHBondContact O-N 2.88Å |
| 40 | F | 84.3 | Confident | 82 | Confident | 100 Ų | 100 | 105.1 Ų | 105.1 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -34.9 | 177.2 | 174.7 | -100.3 | 0 | 0 | 0 | 112.6 | N36 R37 D38 R44 | N36-F40 WeakPolarHBondContact O-CB 3.48Å; N36-F40 PolarHBondContact O-N 2.8Å; N36-F40 VanDerWaalsContact O-N 3.09Å; R37-F40 PolarHBondContact O-N 3.37Å; D38-F40 PolarHBondContact O-N 3.38Å; F40-R44 HydrophobicContact CE2-CG 4.43Å; F40-R44 PolarHBondContact O-N 2.87Å |
| 41 | I | 81.5 | Confident | 80.9 | Confident | 90 Ų | 90 | 104.3 Ų | 104.3 | 46% | 0.462 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.2 | -40.5 | 173.4 | -70.4 | 165 | 0 | 0 | 0 | 110.2 | R37 D38 T39 Y45 G46 | R37-I41 WeakPolarHBondContact O-CB 3.25Å; R37-I41 WeakPolarHBondContact O-CD1 3.38Å; R37-I41 VanDerWaalsContact O-CG1 3.24Å; R37-I41 WeakPolarHBondContact O-CG1 3.27Å; R37-I41 PolarHBondContact O-N 2.61Å; D38-I41 PolarHBondContact O-N 2.81Å; T39-I41 VanDerWaalsContact C-N 3.29Å; T39-I41 PolarHBondContact O-N 2.59Å; I41-Y45 HydrophobicContact CG2-CD2 4.24Å; I41-Y45 WeakPolarHBondContact O-CA 3.46Å; I41-Y45 VanDerWaalsContact O-CB 3.27Å; I41-Y45 WeakPolarHBondContact O-CB 3.44Å; I41-Y45 PolarHBondContact O-N 3.47Å; I41-G46 PolarHBondContact O-N 2.86Å |
| 42 | E | 80.1 | Confident | 80.2 | Confident | 144 Ų | 144 | 104.4 Ų | 104.4 | 67% | 0.673 | 52% | 0.522 | S | S | * | . | I | π-helix | trans | -66.4 | -45.6 | 177.9 | -165.9 | 174.1 | 110.8 | 0 | 0 | 112.3 | D38 T39 R44 G46 | D38-E42 WeakPolarHBondContact O-CB 3.33Å; D38-E42 PolarHBondContact O-N 2.95Å; T39-E42 PolarHBondContact O-N 3.29Å; T39-E42 VanDerWaalsContact O-N 3.17Å; E42-R44 VanDerWaalsContact C-N 3.34Å; E42-R44 PolarHBondContact O-N 3.3Å; E42-G46 VanDerWaalsContact O-CA 3.23Å; E42-G46 WeakPolarHBondContact O-CA 3.34Å; E42-G46 PolarHBondContact O-N 3.4Å |
| 43 | E | 79.5 | Confident | 79.2 | Confident | 127 Ų | 127 | 104.8 Ų | 104.8 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | I | π-helix | trans | -62.3 | -37.5 | 178.8 | -76.5 | -162.2 | 133.3 | 0 | 0 | 113.5 | T39 K47 | T39-E43 HydrophobicContact CG2-CG 4.43Å; T39-E43 PolarHBondContact O-N 2.88Å; E43-K47 WeakPolarHBondContact O-CE 3.48Å; E43-K47 PolarHBondContact O-NZ 3.43Å |
| 44 | R | 70.3 | Confident | 78.5 | Confident | 133 Ų | 133 | 104.5 Ų | 104.5 | 50% | 0.502 | 54% | 0.535 | S | S | . | . | I | π-helix | trans | -89.3 | -34.1 | -179.2 | -68.1 | -135.1 | -61.4 | -170.8 | -0 | 114 | F40 E42 Y48 | F40-R44 HydrophobicContact CE2-CG 4.43Å; F40-R44 PolarHBondContact O-N 2.87Å; E42-R44 VanDerWaalsContact C-N 3.34Å; E42-R44 PolarHBondContact O-N 3.3Å; R44-Y48 WeakPolarHBondContact O-CE2 3.41Å |
| 45 | Y | 70 | Confident | 77.9 | Confident | 90 Ų | 90 | 106.3 Ų | 106.3 | 35% | 0.353 | 54% | 0.538 | S | S | . | . | I | π-helix | trans | -123.7 | -23.1 | -169.5 | -52.7 | -67.7 | 0 | 0 | 0 | 114.3 | I41 K47 Y48 | I41-Y45 HydrophobicContact CG2-CD2 4.24Å; I41-Y45 WeakPolarHBondContact O-CA 3.46Å; I41-Y45 VanDerWaalsContact O-CB 3.27Å; I41-Y45 WeakPolarHBondContact O-CB 3.44Å; I41-Y45 PolarHBondContact O-N 3.47Å; Y45-K47 PolarHBondContact O-N 2.89Å; Y45-K47 VanDerWaalsContact O-N 3.16Å; Y45-Y48 PolarHBondContact O-N 3.44Å |
| 46 | G | 70.4 | Confident | 77.2 | Confident | 57 Ų | 57 | 102 Ų | 102 | 59% | 0.588 | 52% | 0.523 | S | S | * | . | I | π-helix | trans | -63.5 | -18.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I41 E42 Y48 | I41-G46 PolarHBondContact O-N 2.86Å; E42-G46 VanDerWaalsContact O-CA 3.23Å; E42-G46 WeakPolarHBondContact O-CA 3.34Å; E42-G46 PolarHBondContact O-N 3.4Å; G46-Y48 PolarHBondContact O-N 3.34Å |
| 47 | K | 70.6 | Confident | 76.5 | Confident | 162 Ų | 162 | 102.2 Ų | 102.2 | 70% | 0.704 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.2 | 169.6 | -66.2 | 168.6 | -177.2 | 146.2 | 0 | 113.6 | E43 Y45 | E43-K47 WeakPolarHBondContact O-CE 3.48Å; E43-K47 PolarHBondContact O-NZ 3.43Å; Y45-K47 PolarHBondContact O-N 2.89Å; Y45-K47 VanDerWaalsContact O-N 3.16Å |
| 48 | Y | 70.7 | Confident | 76 | Confident | 54 Ų | 54 | 99.3 Ų | 99.3 | 21% | 0.212 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -111.7 | 115.5 | -177.1 | -57.3 | -84.7 | 0 | 0 | 0 | 109.7 | R44 Y45 G46 I50 M55 R59 | R44-Y48 WeakPolarHBondContact O-CE2 3.41Å; Y45-Y48 PolarHBondContact O-N 3.44Å; G46-Y48 PolarHBondContact O-N 3.34Å; Y48-I50 PolarHBondContact O-N 2.83Å; Y48-I50 VanDerWaalsContact O-N 3.15Å; Y48-M55 HydrophobicContact CD1-CB 4.14Å; Y48-M55 WeakPolarHBondContact CD1-O 3.44Å; Y48-M55 HydrophobicContact CD1-SD 4.25Å; Y48-R59 HydrophobicContact CD1-CB 4.31Å; Y48-R59 HydrophobicContact CE1-CB 3.99Å; Y48-R59 HydrophobicContact CE2-CB 4.45Å; Y48-R59 HydrophobicContact CE2-CG 4.44Å |
| 49 | N | 70.9 | Confident | 75.6 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | trans | -68.4 | 114.8 | 171.2 | -172.5 | -19.2 | 0 | 0 | 0 | 109.2 | S51 D52 | N49-S51 PolarHBondContact O-N 2.92Å; N49-S51 VanDerWaalsContact O-N 3.11Å; N49-S51 WeakPolarHBondContact OD1-CB 3.46Å; N49-S51 PolarHBondContact OD1-N 2.69Å; N49-D52 HydrophobicContact CB-CB 4.43Å; N49-D52 PolarHBondContact O-N 3.45Å | ||
| 50 | I | 67.5 | Low | 75.1 | Confident | 159 Ų | 159 | 99 Ų | 99 | 82% | 0.815 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.8 | -177.6 | -61.2 | 167.7 | 0 | 0 | 0 | 111.8 | Y48 | Y48-I50 PolarHBondContact O-N 2.83Å; Y48-I50 VanDerWaalsContact O-N 3.15Å |
| 51 | S | 72.4 | Confident | 74.5 | Confident | 107 Ų | 107 | 100.6 Ų | 100.6 | 75% | 0.748 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -3 | 172.9 | -54.7 | 0 | 0 | 0 | 0 | 114.8 | N49 | N49-S51 PolarHBondContact O-N 2.92Å; N49-S51 VanDerWaalsContact O-N 3.11Å; N49-S51 WeakPolarHBondContact OD1-CB 3.46Å; N49-S51 PolarHBondContact OD1-N 2.69Å |
| 52 | D | 79.4 | Confident | 74.1 | Confident | 61 Ų | 61 | 100.5 Ų | 100.5 | 33% | 0.326 | 51% | 0.511 | S | S | . | . | trans | -104.1 | 109.7 | 173.9 | -179.9 | 1.5 | 0 | 0 | 0 | 111.2 | N49 L54 M55 A56 | N49-D52 HydrophobicContact CB-CB 4.43Å; N49-D52 PolarHBondContact O-N 3.45Å; D52-L54 PolarHBondContact O-N 3.17Å; D52-L54 WeakPolarHBondContact OD1-CB 3.49Å; D52-L54 PolarHBondContact OD1-N 2.98Å; D52-M55 HydrophobicContact CB-CB 4.18Å; D52-M55 HydrophobicContact CB-CG 4.29Å; D52-M55 PolarHBondContact O-N 3.36Å; D52-M55 VanDerWaalsContact OD2-CG 3.26Å; D52-M55 WeakPolarHBondContact OD2-CG 3.34Å; D52-A56 PolarHBondContact O-N 2.91Å | ||
| 53 | P | 74.9 | Confident | 73.4 | Confident | 106 Ų | 106 | 97.2 Ų | 97.2 | 69% | 0.688 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.7 | -28.5 | 177.6 | -24.1 | 34.7 | 0 | 0 | 0 | 114.5 | L57 | P53-L57 PolarHBondContact O-N 2.85Å; P53-L57 VanDerWaalsContact O-N 3.13Å |
| 54 | L | 77.2 | Confident | 72.8 | Confident | 123 Ų | 123 | 96.5 Ų | 96.5 | 64% | 0.644 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.7 | -40.9 | -177 | -162.9 | 73.1 | 0 | 0 | 0 | 111 | D52 L57 Q58 | D52-L54 PolarHBondContact O-N 3.17Å; D52-L54 WeakPolarHBondContact OD1-CB 3.49Å; D52-L54 PolarHBondContact OD1-N 2.98Å; L54-L57 PolarHBondContact O-N 3.45Å; L54-Q58 PolarHBondContact O-N 2.97Å; L54-Q58 VanDerWaalsContact O-N 3.07Å |
| 55 | M | 78.3 | Confident | 72.3 | Confident | 69 Ų | 69 | 98 Ų | 98 | 34% | 0.34 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 174.9 | -75.9 | -73.3 | 99.4 | 0 | 0 | 112.6 | Y48 D52 L57 Q58 R59 | Y48-M55 HydrophobicContact CD1-CB 4.14Å; Y48-M55 WeakPolarHBondContact CD1-O 3.44Å; Y48-M55 HydrophobicContact CD1-SD 4.25Å; D52-M55 HydrophobicContact CB-CB 4.18Å; D52-M55 HydrophobicContact CB-CG 4.29Å; D52-M55 PolarHBondContact O-N 3.36Å; D52-M55 VanDerWaalsContact OD2-CG 3.26Å; D52-M55 WeakPolarHBondContact OD2-CG 3.34Å; M55-L57 VanDerWaalsContact C-N 3.34Å; M55-Q58 HydrophobicContact CE-CB 4.49Å; M55-Q58 PolarHBondContact O-N 3.31Å; M55-R59 PolarHBondContact O-N 3.43Å |
| 56 | A | 75.9 | Confident | 71.7 | Confident | 31 Ų | 31 | 101.9 Ų | 101.9 | 26% | 0.256 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D52 R59 D60 | D52-A56 PolarHBondContact O-N 2.91Å; A56-R59 PolarHBondContact O-N 3.27Å; A56-D60 PolarHBondContact O-N 3.42Å |
| 57 | L | 77 | Confident | 71 | Confident | 121 Ų | 121 | 107.3 Ų | 107.3 | 63% | 0.634 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.8 | -36.2 | 179.8 | -154.1 | 75.4 | 0 | 0 | 0 | 112.6 | P53 L54 M55 D60 F61 | P53-L57 PolarHBondContact O-N 2.85Å; P53-L57 VanDerWaalsContact O-N 3.13Å; L54-L57 PolarHBondContact O-N 3.45Å; M55-L57 VanDerWaalsContact C-N 3.34Å; L57-D60 PolarHBondContact O-N 3.29Å; L57-F61 PolarHBondContact O-N 3.01Å |
| 58 | Q | 76.2 | Confident | 69.9 | Low | 83 Ų | 83 | 105.2 Ų | 105.2 | 39% | 0.388 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 175.4 | -177.9 | 64.7 | 26.9 | 0 | 0 | 111.8 | L54 M55 D60 F61 E62 | L54-Q58 PolarHBondContact O-N 2.97Å; L54-Q58 VanDerWaalsContact O-N 3.07Å; M55-Q58 HydrophobicContact CE-CB 4.49Å; M55-Q58 PolarHBondContact O-N 3.31Å; Q58-D60 VanDerWaalsContact C-N 3.29Å; Q58-D60 PolarHBondContact O-N 3Å; Q58-F61 PolarHBondContact O-N 3.46Å; Q58-E62 PolarHBondContact NE2-OE1 3.46Å; Q58-E62 PolarHBondContact O-N 3.01Å |
| 59 | R | 75.7 | Confident | 69 | Low | 88 Ų | 88 | 111.1 Ų | 111.1 | 33% | 0.332 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -54.6 | -44.6 | 174.9 | 178.6 | -157.2 | 70.5 | -163.2 | -5.7 | 112 | Y48 M55 A56 E62 T63 | Y48-R59 HydrophobicContact CD1-CB 4.31Å; Y48-R59 HydrophobicContact CE1-CB 3.99Å; Y48-R59 HydrophobicContact CE2-CB 4.45Å; Y48-R59 HydrophobicContact CE2-CG 4.44Å; M55-R59 PolarHBondContact O-N 3.43Å; A56-R59 PolarHBondContact O-N 3.27Å; R59-E62 PolarHBondContact O-N 2.7Å; R59-T63 WeakPolarHBondContact O-CB 3.3Å; R59-T63 PolarHBondContact O-N 3.11Å; R59-T63 PolarHBondContact O-OG1 3.46Å |
| 60 | D | 73.4 | Confident | 68 | Low | 68 Ų | 68 | 109.1 Ų | 109.1 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.8 | -33.6 | -176.3 | -67.8 | -10.9 | 0 | 0 | 0 | 111.8 | A56 L57 Q58 L64 | A56-D60 PolarHBondContact O-N 3.42Å; L57-D60 PolarHBondContact O-N 3.29Å; Q58-D60 VanDerWaalsContact C-N 3.29Å; Q58-D60 PolarHBondContact O-N 3Å; D60-L64 WeakPolarHBondContact O-CG 3.38Å; D60-L64 PolarHBondContact O-N 2.85Å; D60-L64 VanDerWaalsContact O-N 3.08Å |
| 61 | F | 72.9 | Confident | 67 | Low | 134 Ų | 134 | 110.7 Ų | 110.7 | 59% | 0.588 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.6 | -43.6 | 171.8 | -179 | -100.8 | 0 | 0 | 0 | 112.6 | L57 Q58 L64 K65 | L57-F61 PolarHBondContact O-N 3.01Å; Q58-F61 PolarHBondContact O-N 3.46Å; F61-L64 PolarHBondContact O-N 2.87Å; F61-K65 PolarHBondContact O-N 3.22Å |
| 62 | E | 73.1 | Confident | 66.1 | Low | 89 Ų | 89 | 115.7 Ų | 115.7 | 42% | 0.416 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.1 | -41.6 | 176.4 | -72.5 | 175.5 | -163.4 | 0 | 0 | 111.6 | Q58 R59 L64 K65 | Q58-E62 PolarHBondContact NE2-OE1 3.46Å; Q58-E62 PolarHBondContact O-N 3.01Å; R59-E62 PolarHBondContact O-N 2.7Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 3.11Å; E62-K65 WeakPolarHBondContact O-CB 3.27Å; E62-K65 PolarHBondContact O-N 3.13Å |
| 63 | T | 66.1 | Low | 64.4 | Low | 75 Ų | 75 | 121.3 Ų | 121.3 | 46% | 0.46 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.4 | -31.4 | 176.5 | -52.2 | 0 | 0 | 0 | 0 | 112.8 | R59 K65 | R59-T63 WeakPolarHBondContact O-CB 3.3Å; R59-T63 PolarHBondContact O-N 3.11Å; R59-T63 PolarHBondContact O-OG1 3.46Å; T63-K65 VanDerWaalsContact C-N 3.33Å |
| 64 | L | 65.6 | Low | 63.2 | Low | 112 Ų | 112 | 121.3 Ų | 121.3 | 59% | 0.586 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.3 | -25.6 | 173.9 | -84.4 | 163.8 | 0 | 0 | 0 | 113.3 | D60 F61 E62 N68 | D60-L64 WeakPolarHBondContact O-CG 3.38Å; D60-L64 PolarHBondContact O-N 2.85Å; D60-L64 VanDerWaalsContact O-N 3.08Å; F61-L64 PolarHBondContact O-N 2.87Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 3.11Å; L64-N68 PolarHBondContact O-ND2 3.29Å |
| 65 | K | 59.8 | Low | 62 | Low | 163 Ų | 163 | 122.9 Ų | 122.9 | 71% | 0.709 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -76.2 | -34.8 | -176.3 | -165.6 | -178.6 | 176.7 | -171.1 | 0 | 112.8 | F61 E62 T63 K67 | F61-K65 PolarHBondContact O-N 3.22Å; E62-K65 WeakPolarHBondContact O-CB 3.27Å; E62-K65 PolarHBondContact O-N 3.13Å; T63-K65 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 2.87Å; K65-K67 VanDerWaalsContact O-N 3.15Å |
| 66 | E | 57.6 | Low | 60.8 | Low | 173 Ų | 173 | 125.2 Ų | 125.2 | 81% | 0.808 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -13.8 | 179.3 | -70.6 | -167.1 | 132.9 | 0 | 0 | 114.9 | ||
| 67 | K | 56.4 | Low | 59.9 | Low | 171 Ų | 171 | 128.8 Ų | 128.8 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | 4.7 | -169.9 | -71.8 | -178 | 177.8 | 173.1 | 0 | 115.8 | K65 | K65-K67 PolarHBondContact O-N 2.87Å; K65-K67 VanDerWaalsContact O-N 3.15Å |
| 68 | N | 47 | Very low | 59.8 | Low | 118 Ų | 118 | 127.4 Ų | 127.4 | 63% | 0.631 | 66% | 0.66 | S | S | * | * | trans | -135.5 | 68.4 | -173.3 | -67.5 | -83.3 | 0 | 0 | 0 | 112.5 | L64 | L64-N68 PolarHBondContact O-ND2 3.29Š| ||
| 69 | D | 51.8 | Low | 60 | Low | 178 Ų | 178 | 128.2 Ų | 128.2 | 95% | 0.952 | 67% | 0.672 | S | S | * | * | trans | -109.6 | 93.8 | 163 | -160.2 | 10.7 | 0 | 0 | 0 | 109 | ||||
| 70 | G | 49.6 | Very low | 60.4 | Low | 62 Ų | 62 | 129.3 Ų | 129.3 | 64% | 0.639 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 150.3 | 112.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 71 | E | 46.2 | Very low | 60.9 | Low | 192 Ų | 192 | 128.7 Ų | 128.7 | 90% | 0.897 | 69% | 0.685 | S | S | * | * | trans | 45.9 | 100.2 | 160.8 | -57.1 | -162.8 | 137.9 | 0 | 0 | 119.8 | ||||
| 72 | K | 53.9 | Low | 61.5 | Low | 213 Ų | 213 | 126.3 Ų | 126.3 | 93% | 0.926 | 68% | 0.677 | S | S | * | * | trans | -96.9 | 116.7 | 148.3 | -69.4 | -179.1 | -179.2 | 176.4 | 0 | 109.5 | ||||
| 73 | Q | 44.3 | Very low | 62.4 | Low | 179 Ų | 179 | 126.5 Ų | 126.5 | 84% | 0.836 | 68% | 0.681 | S | S | * | * | trans | -138.8 | 142.5 | 169 | -107.9 | -80.8 | -44.7 | 0 | 0 | 109.8 | ||||
| 74 | P | 49 | Very low | 63.5 | Low | 106 Ų | 106 | 130.2 Ų | 130.2 | 69% | 0.688 | 69% | 0.69 | S | S | * | * | trans | -99.1 | 179 | -157.7 | 38.5 | -34.8 | 0 | 0 | 0 | 115.4 | C76 | P74-C76 PolarHBondContact O-N 2.9Š| ||
| 75 | V | 52.8 | Low | 64.7 | Low | 155 Ų | 155 | 129.3 Ų | 129.3 | 94% | 0.939 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -73.2 | 90 | -169.6 | -174.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 76 | C | 51.6 | Low | 66.3 | Low | 119 Ų | 119 | 124.7 Ų | 124.7 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | trans | -157 | 103.4 | 154.9 | -172.9 | 0 | 0 | 0 | 0 | 111 | P74 N78 | P74-C76 PolarHBondContact O-N 2.9Å; C76-N78 PolarHBondContact O-N 2.72Å | ||
| 77 | T | 58.3 | Low | 68.1 | Low | 106 Ų | 106 | 122.3 Ų | 122.3 | 65% | 0.65 | 67% | 0.665 | S | S | * | * | trans | -86.6 | 107.2 | -174.1 | 43 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 78 | N | 74.9 | Confident | 69.9 | Low | 92 Ų | 92 | 121.1 Ų | 121.1 | 49% | 0.492 | 66% | 0.66 | S | S | . | * | trans | -62.5 | 131.7 | 167.4 | -177.8 | -43.1 | 0 | 0 | 0 | 110.1 | C76 L80 S81 I82 | C76-N78 PolarHBondContact O-N 2.72Å; N78-L80 PolarHBondContact O-N 3.09Å; N78-L80 VanDerWaalsContact O-N 3.1Å; N78-L80 WeakPolarHBondContact OD1-CB 3.32Å; N78-L80 PolarHBondContact OD1-N 2.66Å; N78-S81 PolarHBondContact O-N 3.14Å; N78-S81 PolarHBondContact O-OG 3.18Å; N78-I82 PolarHBondContact O-N 2.9Å | ||
| 79 | P | 79.4 | Confident | 72.2 | Confident | 99 Ų | 99 | 121.3 Ų | 121.3 | 64% | 0.643 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -58.6 | -28.4 | -178.2 | 22.5 | -33.7 | 0 | 0 | 0 | 113.6 | I82 L83 | P79-I82 PolarHBondContact O-N 2.77Å; P79-L83 PolarHBondContact O-N 3.02Å |
| 80 | L | 84.7 | Confident | 74.2 | Confident | 111 Ų | 111 | 116.5 Ų | 116.5 | 58% | 0.581 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.9 | -25.2 | 176 | -62.8 | 173.9 | 0 | 0 | 0 | 113.3 | N78 K84 | N78-L80 PolarHBondContact O-N 3.09Å; N78-L80 VanDerWaalsContact O-N 3.1Å; N78-L80 WeakPolarHBondContact OD1-CB 3.32Å; N78-L80 PolarHBondContact OD1-N 2.66Å; L80-K84 WeakPolarHBondContact O-CB 3.12Å; L80-K84 VanDerWaalsContact O-CG 3.25Å; L80-K84 WeakPolarHBondContact O-CG 3.37Å; L80-K84 PolarHBondContact O-N 3.03Å; L80-K84 VanDerWaalsContact O-N 3.15Å |
| 81 | S | 83.8 | Confident | 76.4 | Confident | 55 Ų | 55 | 120.2 Ų | 120.2 | 39% | 0.385 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -76.6 | -39.4 | 172.9 | 67.3 | 0 | 0 | 0 | 0 | 111 | N78 L83 K84 V85 | N78-S81 PolarHBondContact O-N 3.14Å; N78-S81 PolarHBondContact O-OG 3.18Å; S81-L83 PolarHBondContact O-N 3.1Å; S81-K84 PolarHBondContact O-N 2.84Å; S81-V85 WeakPolarHBondContact O-CG2 3.49Å; S81-V85 PolarHBondContact O-N 3.21Å |
| 82 | I | 86.3 | Confident | 78.7 | Confident | 84 Ų | 84 | 113.9 Ų | 113.9 | 43% | 0.431 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -57.5 | -50.2 | 171.4 | -55.1 | 176.7 | 0 | 0 | 0 | 110.1 | N78 P79 K84 V85 V86 | N78-I82 PolarHBondContact O-N 2.9Å; P79-I82 PolarHBondContact O-N 2.77Å; I82-K84 VanDerWaalsContact C-N 3.34Å; I82-K84 PolarHBondContact O-N 2.71Å; I82-V85 PolarHBondContact O-N 2.74Å; I82-V85 VanDerWaalsContact O-N 3.13Å; I82-V86 HydrophobicContact CG2-CG2 4.43Å; I82-V86 WeakPolarHBondContact O-CG2 3.12Å; I82-V86 PolarHBondContact O-N 3.34Å |
| 83 | L | 90.6 | Very high | 80.7 | Confident | 94 Ų | 94 | 109.4 Ų | 109.4 | 49% | 0.492 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.8 | -41.9 | 179.2 | -178.4 | 60.1 | 0 | 0 | 0 | 112.4 | P79 S81 V85 V86 M87 | P79-L83 PolarHBondContact O-N 3.02Å; S81-L83 PolarHBondContact O-N 3.1Å; L83-V85 VanDerWaalsContact C-N 3.35Å; L83-V85 PolarHBondContact O-N 2.91Å; L83-V86 PolarHBondContact O-N 3.11Å; L83-M87 HydrophobicContact CD1-CG 4.21Å; L83-M87 HydrophobicContact CD1-SD 4.39Å; L83-M87 HydrophobicContact CG-CG 4.43Å; L83-M87 HydrophobicContact CG-SD 4.15Å; L83-M87 WeakPolarHBondContact O-CB 3.3Å; L83-M87 VanDerWaalsContact O-CG 3.31Å; L83-M87 WeakPolarHBondContact O-CG 3.2Å; L83-M87 PolarHBondContact O-N 3.29Å |
| 84 | K | 90.3 | Very high | 83.2 | Confident | 152 Ų | 152 | 107.2 Ų | 107.2 | 66% | 0.661 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.7 | -39.7 | 174.8 | -77 | 171.9 | -179.9 | -178.5 | 0 | 112.6 | L80 S81 I82 K88 | L80-K84 WeakPolarHBondContact O-CB 3.12Å; L80-K84 VanDerWaalsContact O-CG 3.25Å; L80-K84 WeakPolarHBondContact O-CG 3.37Å; L80-K84 PolarHBondContact O-N 3.03Å; L80-K84 VanDerWaalsContact O-N 3.15Å; S81-K84 PolarHBondContact O-N 2.84Å; I82-K84 VanDerWaalsContact C-N 3.34Å; I82-K84 PolarHBondContact O-N 2.71Å; K84-K88 WeakPolarHBondContact O-CB 3.23Å; K84-K88 PolarHBondContact O-N 2.97Å |
| 85 | V | 91 | Very high | 85.5 | Confident | 93 Ų | 93 | 107.7 Ų | 107.7 | 56% | 0.564 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.1 | -46.1 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | S81 I82 L83 K88 Q89 | S81-V85 WeakPolarHBondContact O-CG2 3.49Å; S81-V85 PolarHBondContact O-N 3.21Å; I82-V85 PolarHBondContact O-N 2.74Å; I82-V85 VanDerWaalsContact O-N 3.13Å; L83-V85 VanDerWaalsContact C-N 3.35Å; L83-V85 PolarHBondContact O-N 2.91Å; V85-K88 PolarHBondContact O-N 3.35Å; V85-Q89 WeakPolarHBondContact O-CB 3.47Å; V85-Q89 PolarHBondContact O-N 3.11Å |
| 86 | V | 93.7 | Very high | 87.6 | Confident | 67 Ų | 67 | 107.7 Ų | 107.7 | 41% | 0.406 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.7 | -45 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | I82 L83 K88 Q89 C90 | I82-V86 HydrophobicContact CG2-CG2 4.43Å; I82-V86 WeakPolarHBondContact O-CG2 3.12Å; I82-V86 PolarHBondContact O-N 3.34Å; L83-V86 PolarHBondContact O-N 3.11Å; V86-K88 VanDerWaalsContact C-N 3.34Å; V86-K88 PolarHBondContact O-N 2.87Å; V86-Q89 PolarHBondContact O-N 2.97Å; V86-Q89 VanDerWaalsContact O-N 3.16Å; V86-C90 PolarHBondContact O-N 3.33Å; V86-C90 PolarHBondContact O-SG 3.02Å; V86-C90 VanDerWaalsContact O-SG 3.33Å |
| 87 | M | 94.3 | Very high | 89.8 | Confident | 123 Ų | 123 | 107.1 Ų | 107.1 | 61% | 0.606 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.8 | -41.6 | 175.7 | -71.9 | 179.4 | 74 | 0 | 0 | 112.2 | L83 C90 K91 | L83-M87 HydrophobicContact CD1-CG 4.21Å; L83-M87 HydrophobicContact CD1-SD 4.39Å; L83-M87 HydrophobicContact CG-CG 4.43Å; L83-M87 HydrophobicContact CG-SD 4.15Å; L83-M87 WeakPolarHBondContact O-CB 3.3Å; L83-M87 VanDerWaalsContact O-CG 3.31Å; L83-M87 WeakPolarHBondContact O-CG 3.2Å; L83-M87 PolarHBondContact O-N 3.29Å; M87-C90 PolarHBondContact O-N 3.31Å; M87-K91 PolarHBondContact O-N 3.03Å |
| 88 | K | 94.2 | Very high | 91.6 | Very high | 145 Ų | 145 | 107.8 Ų | 107.8 | 63% | 0.63 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.8 | -42.6 | 173.6 | -174.8 | 178.2 | -179.8 | -179.4 | 0 | 111.3 | K84 V85 V86 K91 N92 | K84-K88 WeakPolarHBondContact O-CB 3.23Å; K84-K88 PolarHBondContact O-N 2.97Å; V85-K88 PolarHBondContact O-N 3.35Å; V86-K88 VanDerWaalsContact C-N 3.34Å; V86-K88 PolarHBondContact O-N 2.87Å; K88-K91 PolarHBondContact O-N 2.83Å; K88-N92 VanDerWaalsContact O-CB 3.29Å; K88-N92 WeakPolarHBondContact O-CB 3.39Å; K88-N92 PolarHBondContact O-N 3.42Å; K88-N92 PolarHBondContact O-OD1 3.41Å; K88-N92 VanDerWaalsContact O-OD1 3.14Å |
| 89 | Q | 94.6 | Very high | 92.7 | Very high | 123 Ų | 123 | 107 Ų | 107 | 58% | 0.575 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65 | -43.3 | 177.6 | -174.9 | 173 | -6.4 | 0 | 0 | 112.2 | V85 V86 N92 M93 | V85-Q89 WeakPolarHBondContact O-CB 3.47Å; V85-Q89 PolarHBondContact O-N 3.11Å; V86-Q89 PolarHBondContact O-N 2.97Å; V86-Q89 VanDerWaalsContact O-N 3.16Å; Q89-N92 PolarHBondContact O-N 2.85Å; Q89-M93 WeakPolarHBondContact O-CB 3.35Å; Q89-M93 PolarHBondContact O-N 3.49Å |
| 90 | C | 94.1 | Very high | 93.5 | Very high | 77 Ų | 77 | 108.9 Ų | 108.9 | 52% | 0.52 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.5 | -68.7 | 0 | 0 | 0 | 0 | 112 | V86 M87 M93 Q94 | V86-C90 PolarHBondContact O-N 3.33Å; V86-C90 PolarHBondContact O-SG 3.02Å; V86-C90 VanDerWaalsContact O-SG 3.33Å; M87-C90 PolarHBondContact O-N 3.31Å; C90-M93 PolarHBondContact O-N 3.23Å; C90-Q94 PolarHBondContact O-N 3.03Å |
| 91 | K | 96 | Very high | 94.2 | Very high | 139 Ų | 139 | 108.6 Ų | 108.6 | 60% | 0.604 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.7 | -47.6 | 174.9 | -173.1 | -178 | 176.9 | -174.2 | 0 | 111.3 | M87 K88 M93 Q94 E95 | M87-K91 PolarHBondContact O-N 3.03Å; K88-K91 PolarHBondContact O-N 2.83Å; K91-M93 PolarHBondContact O-N 3.26Å; K91-Q94 PolarHBondContact O-N 2.88Å; K91-E95 WeakPolarHBondContact O-CB 3.38Å; K91-E95 PolarHBondContact O-N 2.91Å |
| 92 | N | 95.6 | Very high | 94.8 | Very high | 59 Ų | 59 | 108.5 Ų | 108.5 | 32% | 0.316 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.8 | -29 | 177.9 | -69.6 | 5.7 | 0 | 0 | 0 | 112.6 | K88 Q89 R96 | K88-N92 VanDerWaalsContact O-CB 3.29Å; K88-N92 WeakPolarHBondContact O-CB 3.39Å; K88-N92 PolarHBondContact O-N 3.42Å; K88-N92 PolarHBondContact O-OD1 3.41Å; K88-N92 VanDerWaalsContact O-OD1 3.14Å; Q89-N92 PolarHBondContact O-N 2.85Å; N92-R96 WeakPolarHBondContact O-CG 3.4Å; N92-R96 PolarHBondContact O-N 3.12Å |
| 93 | M | 96.2 | Very high | 95.4 | Very high | 119 Ų | 119 | 106.5 Ų | 106.5 | 59% | 0.586 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.4 | -46.3 | 173.9 | -174.9 | 63.5 | 81.5 | 0 | 0 | 111.4 | Q89 C90 K91 E95 R96 M97 | Q89-M93 WeakPolarHBondContact O-CB 3.35Å; Q89-M93 PolarHBondContact O-N 3.49Å; C90-M93 PolarHBondContact O-N 3.23Å; K91-M93 PolarHBondContact O-N 3.26Å; M93-E95 VanDerWaalsContact C-N 3.3Å; M93-E95 PolarHBondContact O-N 3.42Å; M93-R96 PolarHBondContact O-N 3.04Å; M93-M97 WeakPolarHBondContact O-CB 3.44Å; M93-M97 PolarHBondContact O-N 3.45Å |
| 94 | Q | 96.5 | Very high | 95.7 | Very high | 133 Ų | 133 | 103.1 Ų | 103.1 | 62% | 0.621 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.9 | -43.3 | 176.1 | -176.7 | -176.3 | 5.9 | 0 | 0 | 111.6 | C90 K91 M97 L98 | C90-Q94 PolarHBondContact O-N 3.03Å; K91-Q94 PolarHBondContact O-N 2.88Å; Q94-M97 PolarHBondContact O-N 3.49Å; Q94-L98 WeakPolarHBondContact O-CB 3.4Å; Q94-L98 PolarHBondContact O-N 2.7Å |
| 95 | E | 96.8 | Very high | 96.1 | Very high | 116 Ų | 116 | 100.9 Ų | 100.9 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -49.3 | 177.3 | -173.4 | 168.2 | -167.7 | 0 | 0 | 111.7 | K91 M93 M97 L98 S99 | K91-E95 WeakPolarHBondContact O-CB 3.38Å; K91-E95 PolarHBondContact O-N 2.91Å; M93-E95 VanDerWaalsContact C-N 3.3Å; M93-E95 PolarHBondContact O-N 3.42Å; E95-M97 VanDerWaalsContact C-N 3.33Å; E95-M97 PolarHBondContact O-N 2.86Å; E95-L98 PolarHBondContact O-N 3.45Å; E95-S99 PolarHBondContact O-N 3.08Å; E95-S99 PolarHBondContact O-OG 3.19Å; E95-S99 VanDerWaalsContact O-OG 3.09Å |
| 96 | R | 96.8 | Very high | 96.5 | Very high | 156 Ų | 156 | 100.1 Ų | 100.1 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.5 | -43.1 | 174.2 | -72.4 | 172.8 | -155.6 | -162.6 | 3 | 112.6 | N92 M93 L98 S99 Q100 | N92-R96 WeakPolarHBondContact O-CG 3.4Å; N92-R96 PolarHBondContact O-N 3.12Å; M93-R96 PolarHBondContact O-N 3.04Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-S99 PolarHBondContact O-N 3.24Å; R96-Q100 WeakPolarHBondContact O-CB 3.46Å; R96-Q100 VanDerWaalsContact O-CG 3.27Å; R96-Q100 WeakPolarHBondContact O-CG 3.38Å; R96-Q100 PolarHBondContact O-N 3.35Å |
| 97 | M | 96.9 | Very high | 96.7 | Very high | 107 Ų | 107 | 103.8 Ų | 103.8 | 53% | 0.527 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 178.5 | -175.4 | -179.5 | 77 | 0 | 0 | 111.1 | M93 Q94 E95 Q100 L101 | M93-M97 WeakPolarHBondContact O-CB 3.44Å; M93-M97 PolarHBondContact O-N 3.45Å; Q94-M97 PolarHBondContact O-N 3.49Å; E95-M97 VanDerWaalsContact C-N 3.33Å; E95-M97 PolarHBondContact O-N 2.86Å; M97-Q100 PolarHBondContact O-N 3.15Å; M97-L101 HydrophobicContact CG-CD1 4.25Å; M97-L101 WeakPolarHBondContact O-CB 3.35Å; M97-L101 WeakPolarHBondContact O-CG 3.43Å; M97-L101 PolarHBondContact O-N 2.82Å |
| 98 | L | 97.1 | Very high | 96.9 | Very high | 120 Ų | 120 | 103.8 Ų | 103.8 | 63% | 0.628 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.5 | -43.2 | 175.2 | -174.3 | 63.4 | 0 | 0 | 0 | 111.9 | Q94 E95 R96 Q100 L101 A102 | Q94-L98 WeakPolarHBondContact O-CB 3.4Å; Q94-L98 PolarHBondContact O-N 2.7Å; E95-L98 PolarHBondContact O-N 3.45Å; R96-L98 VanDerWaalsContact C-N 3.34Å; L98-Q100 VanDerWaalsContact C-N 3.34Å; L98-Q100 PolarHBondContact O-N 3.01Å; L98-L101 PolarHBondContact O-N 3.46Å; L98-A102 WeakPolarHBondContact O-CB 3.48Å; L98-A102 PolarHBondContact O-N 3.23Å |
| 99 | S | 97.2 | Very high | 97.1 | Very high | 75 Ų | 75 | 103.4 Ų | 103.4 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 173.9 | -54.3 | 0 | 0 | 0 | 0 | 112.4 | E95 R96 A103 | E95-S99 PolarHBondContact O-N 3.08Å; E95-S99 PolarHBondContact O-OG 3.19Å; E95-S99 VanDerWaalsContact O-OG 3.09Å; R96-S99 PolarHBondContact O-N 3.24Å; S99-A103 VanDerWaalsContact O-CB 3.25Å; S99-A103 WeakPolarHBondContact O-CB 3.32Å; S99-A103 PolarHBondContact O-N 3Å |
| 100 | Q | 97.7 | Very high | 97.3 | Very high | 138 Ų | 138 | 103.5 Ų | 103.5 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.5 | -40.3 | 176.3 | -75.7 | 175.5 | 4.3 | 0 | 0 | 112.1 | R96 M97 L98 A103 A104 | R96-Q100 WeakPolarHBondContact O-CB 3.46Å; R96-Q100 VanDerWaalsContact O-CG 3.27Å; R96-Q100 WeakPolarHBondContact O-CG 3.38Å; R96-Q100 PolarHBondContact O-N 3.35Å; M97-Q100 PolarHBondContact O-N 3.15Å; L98-Q100 VanDerWaalsContact C-N 3.34Å; L98-Q100 PolarHBondContact O-N 3.01Å; Q100-A103 PolarHBondContact O-N 2.68Å; Q100-A104 WeakPolarHBondContact O-CB 3.44Å; Q100-A104 PolarHBondContact O-N 2.97Å |
| 101 | L | 97.8 | Very high | 97.5 | Very high | 105 Ų | 105 | 103.7 Ų | 103.7 | 55% | 0.55 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -51.2 | 173.1 | -79.6 | 163.4 | 0 | 0 | 0 | 111.3 | M97 L98 A103 A104 E105 | M97-L101 HydrophobicContact CG-CD1 4.25Å; M97-L101 WeakPolarHBondContact O-CB 3.35Å; M97-L101 WeakPolarHBondContact O-CG 3.43Å; M97-L101 PolarHBondContact O-N 2.82Å; L98-L101 PolarHBondContact O-N 3.46Å; L101-A103 VanDerWaalsContact C-N 3.31Å; L101-A103 PolarHBondContact O-N 2.93Å; L101-A104 PolarHBondContact O-N 2.91Å; L101-A104 VanDerWaalsContact O-N 3.1Å; L101-E105 WeakPolarHBondContact O-CB 3.25Å; L101-E105 PolarHBondContact O-N 3.38Å |
| 102 | A | 97.8 | Very high | 97.6 | Very high | 54 Ų | 54 | 101.4 Ų | 101.4 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L98 S106 | L98-A102 WeakPolarHBondContact O-CB 3.48Å; L98-A102 PolarHBondContact O-N 3.23Å; A102-S106 VanDerWaalsContact O-CB 3.27Å; A102-S106 WeakPolarHBondContact O-CB 3.32Å; A102-S106 PolarHBondContact O-N 2.85Å |
| 103 | A | 97.7 | Very high | 97.7 | Very high | 42 Ų | 42 | 103.3 Ų | 103.3 | 35% | 0.347 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.4 | -35.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S99 Q100 L101 R107 | S99-A103 VanDerWaalsContact O-CB 3.25Å; S99-A103 WeakPolarHBondContact O-CB 3.32Å; S99-A103 PolarHBondContact O-N 3Å; Q100-A103 PolarHBondContact O-N 2.68Å; L101-A103 VanDerWaalsContact C-N 3.31Å; L101-A103 PolarHBondContact O-N 2.93Å; A103-R107 VanDerWaalsContact C-NH1 3.34Å; A103-R107 WeakPolarHBondContact O-CG 3.08Å; A103-R107 PolarHBondContact O-N 2.87Å; A103-R107 VanDerWaalsContact O-N 3.08Å; A103-R107 PolarHBondContact O-NH1 3.46Å; A103-R107 VanDerWaalsContact O-NH1 3.1Å |
| 104 | A | 98.2 | Very high | 97.8 | Very high | 23 Ų | 23 | 101 Ų | 101 | 19% | 0.19 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -69 | -45.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q100 L101 S106 R107 H108 | Q100-A104 WeakPolarHBondContact O-CB 3.44Å; Q100-A104 PolarHBondContact O-N 2.97Å; L101-A104 PolarHBondContact O-N 2.91Å; L101-A104 VanDerWaalsContact O-N 3.1Å; A104-S106 VanDerWaalsContact C-N 3.34Å; A104-S106 PolarHBondContact O-N 2.92Å; A104-R107 PolarHBondContact O-N 3.27Å; A104-H108 PolarHBondContact O-CD2 3.1Å; A104-H108 VanDerWaalsContact O-CG 3.28Å; A104-H108 PolarHBondContact O-N 2.68Å |
| 105 | E | 98.2 | Very high | 97.9 | Very high | 105 Ų | 105 | 100 Ų | 100 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 174.7 | -167.5 | -156.5 | 122.2 | 0 | 0 | 111.5 | L101 H108 R109 | L101-E105 WeakPolarHBondContact O-CB 3.25Å; L101-E105 PolarHBondContact O-N 3.38Å; E105-H108 PolarHBondContact O-N 2.86Å; E105-R109 VanDerWaalsContact O-CB 3.28Å; E105-R109 WeakPolarHBondContact O-CB 3.48Å; E105-R109 PolarHBondContact O-N 2.96Å; E105-R109 IonicContact OE1-CZ 3.18Å; E105-R109 IonicContact OE1-NH1 2.73Å; E105-R109 PolarHBondContact OE1-NH1 3.27Å; E105-R109 IonicContact OE1-NH2 2.71Å; E105-R109 PolarHBondContact OE1-NH2 2.84Å |
| 106 | S | 98.4 | Very high | 97.9 | Very high | 76 Ų | 76 | 98.8 Ų | 98.8 | 53% | 0.531 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 174.1 | 178.6 | 0 | 0 | 0 | 0 | 112.1 | A102 A104 K110 | A102-S106 VanDerWaalsContact O-CB 3.27Å; A102-S106 WeakPolarHBondContact O-CB 3.32Å; A102-S106 PolarHBondContact O-N 2.85Å; A104-S106 VanDerWaalsContact C-N 3.34Å; A104-S106 PolarHBondContact O-N 2.92Å; S106-K110 PolarHBondContact O-N 3.49Å |
| 107 | R | 98.3 | Very high | 98 | Very high | 145 Ų | 145 | 96.4 Ų | 96.4 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 175 | -72.6 | -172.2 | -52.6 | -85.7 | 4 | 112.2 | A103 A104 K110 V111 | A103-R107 VanDerWaalsContact C-NH1 3.34Å; A103-R107 WeakPolarHBondContact O-CG 3.08Å; A103-R107 PolarHBondContact O-N 2.87Å; A103-R107 VanDerWaalsContact O-N 3.08Å; A103-R107 PolarHBondContact O-NH1 3.46Å; A103-R107 VanDerWaalsContact O-NH1 3.1Å; A104-R107 PolarHBondContact O-N 3.27Å; R107-K110 PolarHBondContact O-N 3.33Å; R107-V111 WeakPolarHBondContact O-CG2 3.42Å; R107-V111 PolarHBondContact O-N 3.04Å |
| 108 | H | 98.4 | Very high | 98.1 | Very high | 123 Ų | 123 | 94.7 Ų | 94.7 | 57% | 0.569 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.3 | -43 | 179.7 | -68 | -177.6 | 0 | 0 | 0 | 111.5 | A104 E105 K110 V111 I112 | A104-H108 PolarHBondContact O-CD2 3.1Å; A104-H108 VanDerWaalsContact O-CG 3.28Å; A104-H108 PolarHBondContact O-N 2.68Å; E105-H108 PolarHBondContact O-N 2.86Å; H108-K110 VanDerWaalsContact C-N 3.29Å; H108-K110 PolarHBondContact O-N 2.94Å; H108-V111 PolarHBondContact O-N 2.88Å; H108-I112 VanDerWaalsContact O-CG1 3.31Å; H108-I112 WeakPolarHBondContact O-CG1 3.48Å; H108-I112 PolarHBondContact O-N 3.25Å |
| 109 | R | 98.5 | Very high | 98.1 | Very high | 136 Ų | 136 | 96.6 Ų | 96.6 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.4 | -42.3 | 173.1 | -179.5 | 179.6 | -73.6 | 104.8 | -3.3 | 111.3 | E105 L113 | E105-R109 VanDerWaalsContact O-CB 3.28Å; E105-R109 WeakPolarHBondContact O-CB 3.48Å; E105-R109 PolarHBondContact O-N 2.96Å; E105-R109 IonicContact OE1-CZ 3.18Å; E105-R109 IonicContact OE1-NH1 2.73Å; E105-R109 PolarHBondContact OE1-NH1 3.27Å; E105-R109 IonicContact OE1-NH2 2.71Å; E105-R109 PolarHBondContact OE1-NH2 2.84Å; R109-L113 HydrophobicContact CG-CD1 4.44Å; R109-L113 WeakPolarHBondContact O-CG 3.42Å; R109-L113 PolarHBondContact O-N 2.85Å |
| 110 | K | 98.5 | Very high | 98.2 | Very high | 126 Ų | 126 | 98.5 Ų | 98.5 | 55% | 0.548 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -50.4 | 174.4 | -163.9 | -163.2 | 173.5 | -150.1 | 0 | 111.7 | S106 R107 H108 I112 L113 D114 | S106-K110 PolarHBondContact O-N 3.49Å; R107-K110 PolarHBondContact O-N 3.33Å; H108-K110 VanDerWaalsContact C-N 3.29Å; H108-K110 PolarHBondContact O-N 2.94Å; K110-I112 PolarHBondContact O-N 3.4Å; K110-L113 PolarHBondContact O-N 3.39Å; K110-D114 VanDerWaalsContact CE-OD1 3.25Å; K110-D114 WeakPolarHBondContact CE-OD1 3.3Å; K110-D114 WeakPolarHBondContact CE-OD2 3.43Å; K110-D114 IonicContact NZ-OD1 2.74Å; K110-D114 IonicContact NZ-OD2 2.74Å; K110-D114 PolarHBondContact NZ-OD2 3.29Å; K110-D114 VanDerWaalsContact O-CG 3.31Å; K110-D114 PolarHBondContact O-N 2.89Å |
| 111 | V | 98.5 | Very high | 98.2 | Very high | 80 Ų | 80 | 96.6 Ų | 96.6 | 49% | 0.485 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.2 | -35.2 | -179.3 | 170.4 | 0 | 0 | 0 | 0 | 112.1 | R107 H108 L115 | R107-V111 WeakPolarHBondContact O-CG2 3.42Å; R107-V111 PolarHBondContact O-N 3.04Å; H108-V111 PolarHBondContact O-N 2.88Å; V111-L115 HydrophobicContact CG1-CD1 3.91Å; V111-L115 HydrophobicContact CG1-CG 4.45Å; V111-L115 WeakPolarHBondContact O-CB 3.41Å; V111-L115 WeakPolarHBondContact O-CD1 3.43Å; V111-L115 WeakPolarHBondContact O-CG 3.45Å; V111-L115 PolarHBondContact O-N 3.31Å |
| 112 | I | 98.3 | Very high | 98.2 | Very high | 92 Ų | 92 | 96.4 Ų | 96.4 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -49.3 | 173.2 | -68.7 | 163.2 | 0 | 0 | 0 | 110.6 | H108 K110 L115 E116 | H108-I112 VanDerWaalsContact O-CG1 3.31Å; H108-I112 WeakPolarHBondContact O-CG1 3.48Å; H108-I112 PolarHBondContact O-N 3.25Å; K110-I112 PolarHBondContact O-N 3.4Å; I112-L115 PolarHBondContact O-N 2.88Å; I112-E116 HydrophobicContact CG2-CG 4.37Å; I112-E116 WeakPolarHBondContact O-CB 3.49Å; I112-E116 WeakPolarHBondContact O-CG 3.44Å; I112-E116 PolarHBondContact O-N 3.35Å |
| 113 | L | 98.3 | Very high | 98.2 | Very high | 99 Ų | 99 | 96.4 Ų | 96.4 | 52% | 0.518 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 178.2 | -67.6 | 169 | 0 | 0 | 0 | 112.4 | R109 K110 L115 E116 E117 | R109-L113 HydrophobicContact CG-CD1 4.44Å; R109-L113 WeakPolarHBondContact O-CG 3.42Å; R109-L113 PolarHBondContact O-N 2.85Å; K110-L113 PolarHBondContact O-N 3.39Å; L113-L115 VanDerWaalsContact C-N 3.27Å; L113-L115 PolarHBondContact O-N 3.03Å; L113-E116 PolarHBondContact O-N 3.38Å; L113-E117 WeakPolarHBondContact O-CB 3.4Å; L113-E117 PolarHBondContact O-N 3.45Å |
| 114 | D | 98.1 | Very high | 98.2 | Very high | 69 Ų | 69 | 99.4 Ų | 99.4 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.2 | -37.6 | 177 | -65.5 | -12.3 | 0 | 0 | 0 | 110.7 | K110 E118 | K110-D114 VanDerWaalsContact CE-OD1 3.25Å; K110-D114 WeakPolarHBondContact CE-OD1 3.3Å; K110-D114 WeakPolarHBondContact CE-OD2 3.43Å; K110-D114 IonicContact NZ-OD1 2.74Å; K110-D114 IonicContact NZ-OD2 2.74Å; K110-D114 PolarHBondContact NZ-OD2 3.29Å; K110-D114 VanDerWaalsContact O-CG 3.31Å; K110-D114 PolarHBondContact O-N 2.89Å; D114-E118 PolarHBondContact O-N 2.88Å; D114-E118 VanDerWaalsContact O-N 3.15Å |
| 115 | L | 98.4 | Very high | 98.2 | Very high | 114 Ų | 114 | 102.7 Ų | 102.7 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -77.1 | -34.2 | 176.2 | -72.4 | 170.3 | 0 | 0 | 0 | 113.7 | V111 I112 L113 R119 | V111-L115 HydrophobicContact CG1-CD1 3.91Å; V111-L115 HydrophobicContact CG1-CG 4.45Å; V111-L115 WeakPolarHBondContact O-CB 3.41Å; V111-L115 WeakPolarHBondContact O-CD1 3.43Å; V111-L115 WeakPolarHBondContact O-CG 3.45Å; V111-L115 PolarHBondContact O-N 3.31Å; I112-L115 PolarHBondContact O-N 2.88Å; L113-L115 VanDerWaalsContact C-N 3.27Å; L113-L115 PolarHBondContact O-N 3.03Å; L115-R119 WeakPolarHBondContact O-CB 3.36Å; L115-R119 PolarHBondContact O-N 3.39Å |
| 116 | E | 98.1 | Very high | 98.2 | Very high | 89 Ų | 89 | 101.9 Ų | 101.9 | 42% | 0.416 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.9 | -37 | 174.6 | -75.2 | 179.5 | 152.3 | 0 | 0 | 111.4 | I112 L113 Q120 | I112-E116 HydrophobicContact CG2-CG 4.37Å; I112-E116 WeakPolarHBondContact O-CB 3.49Å; I112-E116 WeakPolarHBondContact O-CG 3.44Å; I112-E116 PolarHBondContact O-N 3.35Å; L113-E116 PolarHBondContact O-N 3.38Å; E116-Q120 WeakPolarHBondContact O-CB 3.42Å; E116-Q120 PolarHBondContact O-N 3.36Å |
| 117 | E | 98.1 | Very high | 98.2 | Very high | 106 Ų | 106 | 100.8 Ų | 100.8 | 50% | 0.495 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 171.8 | -167.2 | -165.7 | -136.2 | 0 | 0 | 111.4 | L113 R119 Q120 R121 | L113-E117 WeakPolarHBondContact O-CB 3.4Å; L113-E117 PolarHBondContact O-N 3.45Å; E117-R119 VanDerWaalsContact C-N 3.34Å; E117-R119 PolarHBondContact O-N 2.96Å; E117-Q120 CarbonylContact O-C 3.56Å; E117-Q120 WeakPolarHBondContact O-CB 3.5Å; E117-Q120 PolarHBondContact O-N 3.38Å; E117-R121 PolarHBondContact O-N 3.28Å; E117-R121 IonicContact OE1-NH1 3.52Å; E117-R121 PolarHBondContact OE1-NH1 3.31Å; E117-R121 IonicContact OE2-CZ 2.69Å; E117-R121 IonicContact OE2-NH1 3.53Å; E117-R121 PolarHBondContact OE2-NH1 3.15Å; E117-R121 IonicContact OE2-NH2 3.16Å; E117-R121 PolarHBondContact OE2-NH2 2.96Å |
| 118 | E | 97.9 | Very high | 98.1 | Very high | 71 Ų | 71 | 98.9 Ų | 98.9 | 33% | 0.332 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 178.7 | -162.8 | 61.9 | -137.9 | 0 | 0 | 112.1 | D114 Q120 R121 H122 | D114-E118 PolarHBondContact O-N 2.88Å; D114-E118 VanDerWaalsContact O-N 3.15Å; E118-Q120 VanDerWaalsContact C-N 3.28Å; E118-Q120 PolarHBondContact O-N 2.9Å; E118-R121 PolarHBondContact O-N 3.09Å; E118-R121 IonicContact OE1-NE 2.73Å; E118-R121 IonicContact OE2-CZ 3.68Å; E118-R121 VanDerWaalsContact OE2-CZ 3.26Å; E118-R121 IonicContact OE2-NE 3.44Å; E118-R121 PolarHBondContact OE2-NE 3.12Å; E118-R121 IonicContact OE2-NH2 2.71Å; E118-R121 PolarHBondContact OE2-NH2 3.48Å; E118-H122 PolarHBondContact O-N 3.41Å; E118-H122 IonicContact OE1-CE1 2.67Å; E118-H122 PolarHBondContact OE1-CE1 3.48Å; E118-H122 IonicContact OE1-ND1 3.95Å; E118-H122 IonicContact OE1-NE2 2.77Å |
| 119 | R | 98.3 | Very high | 98.1 | Very high | 161 Ų | 161 | 94.6 Ų | 94.6 | 61% | 0.608 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.9 | -38.6 | 172.1 | -170.6 | -164.3 | 69.8 | -152.3 | -6.7 | 111.5 | L115 E117 A123 | L115-R119 WeakPolarHBondContact O-CB 3.36Å; L115-R119 PolarHBondContact O-N 3.39Å; E117-R119 VanDerWaalsContact C-N 3.34Å; E117-R119 PolarHBondContact O-N 2.96Å; R119-A123 WeakPolarHBondContact O-CB 3.45Å; R119-A123 PolarHBondContact O-N 3.28Å; R119-A123 VanDerWaalsContact O-N 3.12Å |
| 120 | Q | 98.1 | Very high | 98.1 | Very high | 115 Ų | 115 | 93.1 Ų | 93.1 | 54% | 0.537 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.5 | -39.5 | 178.3 | -172.7 | 59.7 | 36.7 | 0 | 0 | 112 | E116 E117 E118 A123 Q124 | E116-Q120 WeakPolarHBondContact O-CB 3.42Å; E116-Q120 PolarHBondContact O-N 3.36Å; E117-Q120 CarbonylContact O-C 3.56Å; E117-Q120 WeakPolarHBondContact O-CB 3.5Å; E117-Q120 PolarHBondContact O-N 3.38Å; E118-Q120 VanDerWaalsContact C-N 3.28Å; E118-Q120 PolarHBondContact O-N 2.9Å; Q120-A123 PolarHBondContact O-N 2.96Å; Q120-Q124 PolarHBondContact O-N 2.68Å; Q120-Q124 VanDerWaalsContact O-N 3.09Å |
| 121 | R | 98.1 | Very high | 98.1 | Very high | 97 Ų | 97 | 92.6 Ų | 92.6 | 37% | 0.366 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -55.6 | -57 | 169.8 | -83.9 | -165.8 | -80.5 | -86.2 | -4.5 | 110.7 | E117 E118 A123 Q124 D125 | E117-R121 PolarHBondContact O-N 3.28Å; E117-R121 IonicContact OE1-NH1 3.52Å; E117-R121 PolarHBondContact OE1-NH1 3.31Å; E117-R121 IonicContact OE2-CZ 2.69Å; E117-R121 IonicContact OE2-NH1 3.53Å; E117-R121 PolarHBondContact OE2-NH1 3.15Å; E117-R121 IonicContact OE2-NH2 3.16Å; E117-R121 PolarHBondContact OE2-NH2 2.96Å; E118-R121 PolarHBondContact O-N 3.09Å; E118-R121 IonicContact OE1-NE 2.73Å; E118-R121 IonicContact OE2-CZ 3.68Å; E118-R121 VanDerWaalsContact OE2-CZ 3.26Å; E118-R121 IonicContact OE2-NE 3.44Å; E118-R121 PolarHBondContact OE2-NE 3.12Å; E118-R121 IonicContact OE2-NH2 2.71Å; E118-R121 PolarHBondContact OE2-NH2 3.48Å; R121-A123 PolarHBondContact O-N 2.95Å; R121-A123 VanDerWaalsContact O-N 3.16Å; R121-Q124 CarbonylContact O-C 3.54Å; R121-Q124 WeakPolarHBondContact O-CA 3.28Å; R121-Q124 WeakPolarHBondContact O-CB 3.31Å; R121-Q124 PolarHBondContact O-N 2.88Å; R121-D125 PolarHBondContact O-N 3.16Å |
| 122 | H | 98.3 | Very high | 98.1 | Very high | 102 Ų | 102 | 93 Ų | 93 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.7 | -33.1 | -179.3 | -69 | -9.8 | 0 | 0 | 0 | 113.9 | E118 D125 T126 | E118-H122 PolarHBondContact O-N 3.41Å; E118-H122 IonicContact OE1-CE1 2.67Å; E118-H122 PolarHBondContact OE1-CE1 3.48Å; E118-H122 IonicContact OE1-ND1 3.95Å; E118-H122 IonicContact OE1-NE2 2.77Å; H122-D125 IonicContact ND1-OD2 3.96Å; H122-T126 WeakPolarHBondContact O-CB 3.49Å; H122-T126 PolarHBondContact O-N 3.41Å; H122-T126 VanDerWaalsContact O-N 3.07Å; H122-T126 PolarHBondContact O-OG1 3.38Å |
| 123 | A | 98.1 | Very high | 98.1 | Very high | 54 Ų | 54 | 92 Ų | 92 | 45% | 0.446 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67 | -39.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R119 Q120 R121 A127 | R119-A123 WeakPolarHBondContact O-CB 3.45Å; R119-A123 PolarHBondContact O-N 3.28Å; R119-A123 VanDerWaalsContact O-N 3.12Å; Q120-A123 PolarHBondContact O-N 2.96Å; R121-A123 PolarHBondContact O-N 2.95Å; R121-A123 VanDerWaalsContact O-N 3.16Å; A123-A127 PolarHBondContact O-N 2.97Å |
| 124 | Q | 97.6 | Very high | 98.1 | Very high | 105 Ų | 105 | 93.5 Ų | 93.5 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.8 | -48.3 | 174.1 | -179.5 | 174.9 | -15.8 | 0 | 0 | 111.8 | Q120 R121 T126 A127 E128 | Q120-Q124 PolarHBondContact O-N 2.68Å; Q120-Q124 VanDerWaalsContact O-N 3.09Å; R121-Q124 CarbonylContact O-C 3.54Å; R121-Q124 WeakPolarHBondContact O-CA 3.28Å; R121-Q124 WeakPolarHBondContact O-CB 3.31Å; R121-Q124 PolarHBondContact O-N 2.88Å; Q124-T126 PolarHBondContact O-N 3.28Å; Q124-A127 PolarHBondContact O-N 3.47Å; Q124-E128 HydrophobicContact CG-CG 4.36Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.21Å; Q124-E128 PolarHBondContact NE2-OE1 2.71Å; Q124-E128 PolarHBondContact O-N 3.32Å |
| 125 | D | 97.8 | Very high | 98.1 | Very high | 92 Ų | 92 | 96.3 Ų | 96.3 | 49% | 0.492 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -54.1 | -38.4 | 177.2 | -59.7 | -36 | 0 | 0 | 0 | 111.6 | R121 H122 G129 | R121-D125 PolarHBondContact O-N 3.16Å; H122-D125 IonicContact ND1-OD2 3.96Å; D125-G129 PolarHBondContact O-N 2.96Å |
| 126 | T | 97.8 | Very high | 98.1 | Very high | 87 Ų | 87 | 96.5 Ų | 96.5 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.9 | -46.7 | 176.9 | -56 | 0 | 0 | 0 | 0 | 111.3 | H122 Q124 G129 D130 | H122-T126 WeakPolarHBondContact O-CB 3.49Å; H122-T126 PolarHBondContact O-N 3.41Å; H122-T126 VanDerWaalsContact O-N 3.07Å; H122-T126 PolarHBondContact O-OG1 3.38Å; Q124-T126 PolarHBondContact O-N 3.28Å; T126-G129 WeakPolarHBondContact O-CA 3.36Å; T126-G129 PolarHBondContact O-N 3.22Å; T126-G129 VanDerWaalsContact O-N 3.17Å; T126-D130 PolarHBondContact O-N 2.98Å |
| 127 | A | 98.2 | Very high | 98.1 | Very high | 53 Ų | 53 | 97.4 Ų | 97.4 | 44% | 0.438 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A123 Q124 G129 D130 D131 | A123-A127 PolarHBondContact O-N 2.97Å; Q124-A127 PolarHBondContact O-N 3.47Å; A127-G129 VanDerWaalsContact C-N 3.29Å; A127-G129 PolarHBondContact O-N 3.43Å; A127-D130 PolarHBondContact O-N 2.93Å; A127-D131 PolarHBondContact O-N 3.14Å |
| 128 | E | 97.5 | Very high | 98.2 | Very high | 106 Ų | 106 | 97.7 Ų | 97.7 | 50% | 0.495 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -34.1 | 173.3 | -68.7 | -175.7 | -157.5 | 0 | 0 | 111.5 | Q124 V132 | Q124-E128 HydrophobicContact CG-CG 4.36Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.21Å; Q124-E128 PolarHBondContact NE2-OE1 2.71Å; Q124-E128 PolarHBondContact O-N 3.32Å; E128-V132 WeakPolarHBondContact O-CG2 3.3Å; E128-V132 PolarHBondContact O-N 3.19Å; E128-V132 VanDerWaalsContact O-N 3.08Å |
| 129 | G | 97.9 | Very high | 98.2 | Very high | 33 Ų | 33 | 98 Ų | 98 | 34% | 0.34 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D125 T126 A127 T133 | D125-G129 PolarHBondContact O-N 2.96Å; T126-G129 WeakPolarHBondContact O-CA 3.36Å; T126-G129 PolarHBondContact O-N 3.22Å; T126-G129 VanDerWaalsContact O-N 3.17Å; A127-G129 VanDerWaalsContact C-N 3.29Å; A127-G129 PolarHBondContact O-N 3.43Å; G129-T133 WeakPolarHBondContact O-CB 3.32Å; G129-T133 PolarHBondContact O-N 2.91Å; G129-T133 PolarHBondContact O-OG1 3.02Å |
| 130 | D | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 98.1 Ų | 98.1 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.5 | -43 | 175.9 | -74.4 | -25.4 | 0 | 0 | 0 | 111.4 | T126 A127 V132 T133 Y134 | T126-D130 PolarHBondContact O-N 2.98Å; A127-D130 PolarHBondContact O-N 2.93Å; D130-V132 PolarHBondContact O-N 3.42Å; D130-T133 WeakPolarHBondContact O-CB 3.31Å; D130-T133 PolarHBondContact O-N 2.98Å; D130-Y134 PolarHBondContact O-N 2.64Å |
| 131 | D | 98.3 | Very high | 98.2 | Very high | 115 Ų | 115 | 98.1 Ų | 98.1 | 62% | 0.615 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61 | -44.4 | 175.1 | -93.5 | -17.6 | 0 | 0 | 0 | 112.2 | A127 T133 Y134 M135 | A127-D131 PolarHBondContact O-N 3.14Å; D131-T133 VanDerWaalsContact C-N 3.32Å; D131-T133 PolarHBondContact O-N 3.33Å; D131-Y134 PolarHBondContact O-N 3.21Å; D131-M135 WeakPolarHBondContact O-CB 3.47Å; D131-M135 VanDerWaalsContact O-CG 3.29Å; D131-M135 WeakPolarHBondContact O-CG 3.41Å; D131-M135 PolarHBondContact O-N 3.31Å |
| 132 | V | 98.4 | Very high | 98.3 | Very high | 87 Ų | 87 | 99.2 Ų | 99.2 | 53% | 0.527 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 174.4 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | E128 D130 M135 L136 | E128-V132 WeakPolarHBondContact O-CG2 3.3Å; E128-V132 PolarHBondContact O-N 3.19Å; E128-V132 VanDerWaalsContact O-N 3.08Å; D130-V132 PolarHBondContact O-N 3.42Å; V132-M135 PolarHBondContact O-N 3.23Å; V132-L136 HydrophobicContact CG1-CD1 4.04Å; V132-L136 WeakPolarHBondContact O-CG 3.49Å; V132-L136 PolarHBondContact O-N 2.96Å |
| 133 | T | 98.3 | Very high | 98.3 | Very high | 71 Ų | 71 | 98.5 Ų | 98.5 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -49.2 | 177.4 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | G129 D130 D131 M135 L136 E137 | G129-T133 WeakPolarHBondContact O-CB 3.32Å; G129-T133 PolarHBondContact O-N 2.91Å; G129-T133 PolarHBondContact O-OG1 3.02Å; D130-T133 WeakPolarHBondContact O-CB 3.31Å; D130-T133 PolarHBondContact O-N 2.98Å; D131-T133 VanDerWaalsContact C-N 3.32Å; D131-T133 PolarHBondContact O-N 3.33Å; T133-M135 VanDerWaalsContact C-N 3.33Å; T133-M135 PolarHBondContact O-N 3.46Å; T133-L136 PolarHBondContact O-N 2.91Å; T133-L136 VanDerWaalsContact O-N 3.14Å; T133-E137 HydrophobicContact CG2-CG 4.48Å; T133-E137 WeakPolarHBondContact O-CG 3.5Å; T133-E137 PolarHBondContact O-N 3.38Å |
| 134 | Y | 98.6 | Very high | 98.3 | Very high | 131 Ų | 131 | 99.6 Ų | 99.6 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.3 | -42.3 | 176.4 | 173.5 | -103.5 | 0 | 0 | 0 | 112.4 | D130 D131 L136 E137 K138 | D130-Y134 PolarHBondContact O-N 2.64Å; D131-Y134 PolarHBondContact O-N 3.21Å; Y134-L136 PolarHBondContact O-N 3.35Å; Y134-E137 PolarHBondContact O-N 3.4Å; Y134-K138 HydrophobicContact CE1-CD 4.05Å; Y134-K138 VanDerWaalsContact O-CB 3.28Å; Y134-K138 WeakPolarHBondContact O-CB 3.45Å; Y134-K138 PolarHBondContact O-N 3.05Å; Y134-K138 PolarHBondContact OH-NZ 3.15Å; Y134-K138 VanDerWaalsContact OH-NZ 3.12Å |
| 135 | M | 98.6 | Very high | 98.4 | Very high | 129 Ų | 129 | 101.1 Ų | 101.1 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.1 | -42.6 | 175.2 | -78.1 | -78.7 | -76.2 | 0 | 0 | 112.5 | D131 V132 T133 E139 | D131-M135 WeakPolarHBondContact O-CB 3.47Å; D131-M135 VanDerWaalsContact O-CG 3.29Å; D131-M135 WeakPolarHBondContact O-CG 3.41Å; D131-M135 PolarHBondContact O-N 3.31Å; V132-M135 PolarHBondContact O-N 3.23Å; T133-M135 VanDerWaalsContact C-N 3.33Å; T133-M135 PolarHBondContact O-N 3.46Å; M135-E139 PolarHBondContact O-N 3.35Å; M135-E139 VanDerWaalsContact O-N 3.11Å |
| 136 | L | 98.4 | Very high | 98.4 | Very high | 117 Ų | 117 | 100.6 Ų | 100.6 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.6 | -37.8 | 178.2 | -70.6 | 171.4 | 0 | 0 | 0 | 112.7 | V132 T133 Y134 E139 R140 | V132-L136 HydrophobicContact CG1-CD1 4.04Å; V132-L136 WeakPolarHBondContact O-CG 3.49Å; V132-L136 PolarHBondContact O-N 2.96Å; T133-L136 PolarHBondContact O-N 2.91Å; T133-L136 VanDerWaalsContact O-N 3.14Å; Y134-L136 PolarHBondContact O-N 3.35Å; L136-E139 PolarHBondContact O-N 3.38Å; L136-R140 WeakPolarHBondContact O-CB 3.2Å; L136-R140 PolarHBondContact O-N 3.18Å |
| 137 | E | 98.5 | Very high | 98.5 | Very high | 109 Ų | 109 | 100.8 Ų | 100.8 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 174.7 | -71.6 | -164.9 | 141.5 | 0 | 0 | 111.7 | T133 Y134 E139 R140 E141 | T133-E137 HydrophobicContact CG2-CG 4.48Å; T133-E137 WeakPolarHBondContact O-CG 3.5Å; T133-E137 PolarHBondContact O-N 3.38Å; Y134-E137 PolarHBondContact O-N 3.4Å; E137-E139 PolarHBondContact O-N 2.9Å; E137-R140 WeakPolarHBondContact O-CB 3.4Å; E137-R140 PolarHBondContact O-N 2.84Å; E137-E141 PolarHBondContact O-N 2.83Å |
| 138 | K | 98.8 | Very high | 98.5 | Very high | 112 Ų | 112 | 102.9 Ų | 102.9 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 176.3 | -169.6 | 172.6 | -168.3 | 161.7 | 0 | 112.7 | Y134 E141 R142 | Y134-K138 HydrophobicContact CE1-CD 4.05Å; Y134-K138 VanDerWaalsContact O-CB 3.28Å; Y134-K138 WeakPolarHBondContact O-CB 3.45Å; Y134-K138 PolarHBondContact O-N 3.05Å; Y134-K138 PolarHBondContact OH-NZ 3.15Å; Y134-K138 VanDerWaalsContact OH-NZ 3.12Å; K138-E141 PolarHBondContact O-N 3.14Å; K138-R142 PolarHBondContact O-N 3.38Å |
| 139 | E | 98.5 | Very high | 98.5 | Very high | 78 Ų | 78 | 102.9 Ų | 102.9 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.1 | -38.3 | 174.1 | 178.3 | 59.4 | -172.2 | 0 | 0 | 111.7 | M135 L136 E137 E141 R142 L143 | M135-E139 PolarHBondContact O-N 3.35Å; M135-E139 VanDerWaalsContact O-N 3.11Å; L136-E139 PolarHBondContact O-N 3.38Å; E137-E139 PolarHBondContact O-N 2.9Å; E139-E141 PolarHBondContact O-N 2.92Å; E139-R142 PolarHBondContact O-N 2.94Å; E139-R142 IonicContact OE1-CZ 3.02Å; E139-R142 IonicContact OE1-NE 2.79Å; E139-R142 IonicContact OE1-NH2 3.64Å; E139-R142 PolarHBondContact OE1-NH2 3.08Å; E139-R142 IonicContact OE2-CZ 2.96Å; E139-R142 IonicContact OE2-NE 3.85Å; E139-R142 PolarHBondContact OE2-NE 2.87Å; E139-R142 IonicContact OE2-NH2 2.99Å; E139-R142 PolarHBondContact OE2-NH2 3.44Å; E139-L143 HydrophobicContact CG-CD1 4.01Å; E139-L143 HydrophobicContact CG-CG 4.46Å; E139-L143 WeakPolarHBondContact O-CB 3.35Å; E139-L143 VanDerWaalsContact O-CG 3.28Å; E139-L143 WeakPolarHBondContact O-CG 3.41Å; E139-L143 PolarHBondContact O-N 2.93Å |
| 140 | R | 98.7 | Very high | 98.6 | Very high | 163 Ų | 163 | 106 Ų | 106 | 62% | 0.615 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.1 | -43.8 | 171.4 | 168.6 | -176.6 | 171.2 | -102.6 | -3.7 | 111.8 | L136 E137 T144 | L136-R140 WeakPolarHBondContact O-CB 3.2Å; L136-R140 PolarHBondContact O-N 3.18Å; E137-R140 WeakPolarHBondContact O-CB 3.4Å; E137-R140 PolarHBondContact O-N 2.84Å; R140-T144 WeakPolarHBondContact O-CB 3.43Å; R140-T144 PolarHBondContact O-N 3.37Å; R140-T144 PolarHBondContact O-OG1 3.03Å |
| 141 | E | 98.8 | Very high | 98.6 | Very high | 115 Ų | 115 | 105.9 Ų | 105.9 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 175.5 | -73.4 | -168.2 | 162 | 0 | 0 | 111.6 | E137 K138 E139 L143 T144 Q145 | E137-E141 PolarHBondContact O-N 2.83Å; K138-E141 PolarHBondContact O-N 3.14Å; E139-E141 PolarHBondContact O-N 2.92Å; E141-L143 PolarHBondContact O-N 3.13Å; E141-T144 WeakPolarHBondContact O-CB 3.49Å; E141-T144 PolarHBondContact O-N 2.92Å; E141-T144 VanDerWaalsContact O-N 3.12Å; E141-Q145 WeakPolarHBondContact O-CG 3.4Å; E141-Q145 PolarHBondContact O-N 3.23Å |
| 142 | R | 98.8 | Very high | 98.6 | Very high | 119 Ų | 119 | 102.8 Ų | 102.8 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 177.2 | -167.1 | -161.8 | 66.5 | 72.1 | -0.6 | 112.1 | K138 E139 Q145 Q146 | K138-R142 PolarHBondContact O-N 3.38Å; E139-R142 PolarHBondContact O-N 2.94Å; E139-R142 IonicContact OE1-CZ 3.02Å; E139-R142 IonicContact OE1-NE 2.79Å; E139-R142 IonicContact OE1-NH2 3.64Å; E139-R142 PolarHBondContact OE1-NH2 3.08Å; E139-R142 IonicContact OE2-CZ 2.96Å; E139-R142 IonicContact OE2-NE 3.85Å; E139-R142 PolarHBondContact OE2-NE 2.87Å; E139-R142 IonicContact OE2-NH2 2.99Å; E139-R142 PolarHBondContact OE2-NH2 3.44Å; R142-Q145 PolarHBondContact O-N 3.35Å; R142-Q146 PolarHBondContact O-N 3.24Å |
| 143 | L | 98.8 | Very high | 98.6 | Very high | 87 Ų | 87 | 102.2 Ų | 102.2 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 175.7 | -72.4 | 169.1 | 0 | 0 | 0 | 112.1 | E139 E141 Q146 L147 | E139-L143 HydrophobicContact CG-CD1 4.01Å; E139-L143 HydrophobicContact CG-CG 4.46Å; E139-L143 WeakPolarHBondContact O-CB 3.35Å; E139-L143 VanDerWaalsContact O-CG 3.28Å; E139-L143 WeakPolarHBondContact O-CG 3.41Å; E139-L143 PolarHBondContact O-N 2.93Å; E141-L143 PolarHBondContact O-N 3.13Å; L143-Q146 PolarHBondContact O-N 3.18Å; L143-L147 VanDerWaalsContact O-CB 3.25Å; L143-L147 WeakPolarHBondContact O-CB 3.5Å; L143-L147 PolarHBondContact O-N 2.96Å |
| 144 | T | 98.6 | Very high | 98.6 | Very high | 77 Ų | 77 | 102.7 Ų | 102.7 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 176.4 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | R140 E141 L147 E148 | R140-T144 WeakPolarHBondContact O-CB 3.43Å; R140-T144 PolarHBondContact O-N 3.37Å; R140-T144 PolarHBondContact O-OG1 3.03Å; E141-T144 WeakPolarHBondContact O-CB 3.49Å; E141-T144 PolarHBondContact O-N 2.92Å; E141-T144 VanDerWaalsContact O-N 3.12Å; T144-L147 PolarHBondContact O-N 3.42Å; T144-E148 PolarHBondContact O-N 2.91Å |
| 145 | Q | 98.8 | Very high | 98.6 | Very high | 137 Ų | 137 | 102.7 Ų | 102.7 | 64% | 0.64 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.2 | -44.9 | 175.7 | -68.7 | 173.2 | 22.6 | 0 | 0 | 111.8 | E141 R142 L147 E148 F149 | E141-Q145 WeakPolarHBondContact O-CG 3.4Å; E141-Q145 PolarHBondContact O-N 3.23Å; R142-Q145 PolarHBondContact O-N 3.35Å; Q145-L147 PolarHBondContact O-N 3.28Å; Q145-E148 PolarHBondContact O-N 2.81Å; Q145-F149 PolarHBondContact O-N 2.95Å |
| 146 | Q | 98.6 | Very high | 98.7 | Very high | 82 Ų | 82 | 102.3 Ų | 102.3 | 38% | 0.383 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 175.5 | -178.1 | 63.9 | 27.7 | 0 | 0 | 111.6 | R142 L143 E148 F149 E150 | R142-Q146 PolarHBondContact O-N 3.24Å; L143-Q146 PolarHBondContact O-N 3.18Å; Q146-E148 PolarHBondContact O-N 3.27Å; Q146-F149 WeakPolarHBondContact O-CB 3.38Å; Q146-F149 PolarHBondContact O-N 3.5Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.37Å; Q146-E150 PolarHBondContact NE2-OE1 2.67Å; Q146-E150 WeakPolarHBondContact O-CG 3.32Å; Q146-E150 PolarHBondContact O-N 3.07Å |
| 147 | L | 98.7 | Very high | 98.7 | Very high | 90 Ų | 90 | 102.8 Ų | 102.8 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -35.5 | -179.6 | 176.6 | 147.3 | 0 | 0 | 0 | 112.7 | L143 T144 Q145 K151 | L143-L147 VanDerWaalsContact O-CB 3.25Å; L143-L147 WeakPolarHBondContact O-CB 3.5Å; L143-L147 PolarHBondContact O-N 2.96Å; T144-L147 PolarHBondContact O-N 3.42Å; Q145-L147 PolarHBondContact O-N 3.28Å; L147-K151 HydrophobicContact CD2-CD 3.88Å; L147-K151 VanDerWaalsContact CD2-CE 3.43Å; L147-K151 WeakPolarHBondContact O-CB 3.37Å; L147-K151 WeakPolarHBondContact O-CG 3.46Å; L147-K151 PolarHBondContact O-N 2.69Å |
| 148 | E | 98.7 | Very high | 98.7 | Very high | 98 Ų | 98 | 102.7 Ų | 102.7 | 46% | 0.458 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -76.4 | -30.6 | 175.6 | -161.7 | 57.5 | -138.8 | 0 | 0 | 112.8 | T144 Q145 Q146 K151 S152 | T144-E148 PolarHBondContact O-N 2.91Å; Q145-E148 PolarHBondContact O-N 2.81Å; Q146-E148 PolarHBondContact O-N 3.27Å; E148-K151 WeakPolarHBondContact OE2-CD 3.42Å; E148-K151 IonicContact OE2-NZ 3.88Å; E148-K151 PolarHBondContact OE2-NZ 2.85Å; E148-S152 VanDerWaalsContact O-CB 3.24Å; E148-S152 WeakPolarHBondContact O-CB 3.47Å; E148-S152 PolarHBondContact O-N 3.03Å; E148-S152 PolarHBondContact O-OG 2.73Å |
| 149 | F | 98.7 | Very high | 98.7 | Very high | 106 Ų | 106 | 104 Ų | 104 | 47% | 0.465 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 167.5 | 173.6 | -103.2 | 0 | 0 | 0 | 111.5 | Q145 Q146 S152 Q153 | Q145-F149 PolarHBondContact O-N 2.95Å; Q146-F149 WeakPolarHBondContact O-CB 3.38Å; Q146-F149 PolarHBondContact O-N 3.5Å; F149-S152 CarbonylContact O-C 3.59Å; F149-S152 WeakPolarHBondContact O-CA 3.28Å; F149-S152 WeakPolarHBondContact O-CB 3.49Å; F149-S152 PolarHBondContact O-N 3.27Å; F149-S152 VanDerWaalsContact O-N 3.11Å; F149-Q153 HydrophobicContact CE1-CG 4.17Å; F149-Q153 VanDerWaalsContact CE1-NE2 3.28Å; F149-Q153 HydrophobicContact CE2-CG 4.31Å; F149-Q153 HydrophobicContact CZ-CG 4.02Å; F149-Q153 WeakPolarHBondContact O-CG 3.33Å; F149-Q153 PolarHBondContact O-N 2.88Å |
| 150 | E | 98.5 | Very high | 98.7 | Very high | 98 Ų | 98 | 105.4 Ų | 105.4 | 46% | 0.458 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 178.3 | -75.6 | 173.3 | -165.7 | 0 | 0 | 112.4 | Q146 S152 Q153 V154 | Q146-E150 WeakPolarHBondContact CG-OE1 3.37Å; Q146-E150 PolarHBondContact NE2-OE1 2.67Å; Q146-E150 WeakPolarHBondContact O-CG 3.32Å; Q146-E150 PolarHBondContact O-N 3.07Å; E150-S152 PolarHBondContact O-N 2.57Å; E150-Q153 PolarHBondContact O-N 3.22Å; E150-V154 WeakPolarHBondContact O-CG2 3.44Å; E150-V154 PolarHBondContact O-N 2.81Å |
| 151 | K | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 104.4 Ų | 104.4 | 44% | 0.443 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -52 | -43 | 168.8 | -78.6 | 164 | 168 | 169.1 | 0 | 112.1 | L147 E148 Q153 V154 K155 | L147-K151 HydrophobicContact CD2-CD 3.88Å; L147-K151 VanDerWaalsContact CD2-CE 3.43Å; L147-K151 WeakPolarHBondContact O-CB 3.37Å; L147-K151 WeakPolarHBondContact O-CG 3.46Å; L147-K151 PolarHBondContact O-N 2.69Å; E148-K151 WeakPolarHBondContact OE2-CD 3.42Å; E148-K151 IonicContact OE2-NZ 3.88Å; E148-K151 PolarHBondContact OE2-NZ 2.85Å; K151-Q153 VanDerWaalsContact C-N 3.28Å; K151-Q153 PolarHBondContact O-N 2.98Å; K151-V154 PolarHBondContact O-N 3.31Å; K151-K155 WeakPolarHBondContact O-CB 3.46Å; K151-K155 PolarHBondContact O-N 3.48Å |
| 152 | S | 98.5 | Very high | 98.7 | Very high | 51 Ų | 51 | 106.7 Ų | 106.7 | 36% | 0.357 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.4 | -24.9 | 179.3 | -66.3 | 0 | 0 | 0 | 0 | 113.3 | E148 F149 E150 K156 | E148-S152 VanDerWaalsContact O-CB 3.24Å; E148-S152 WeakPolarHBondContact O-CB 3.47Å; E148-S152 PolarHBondContact O-N 3.03Å; E148-S152 PolarHBondContact O-OG 2.73Å; F149-S152 CarbonylContact O-C 3.59Å; F149-S152 WeakPolarHBondContact O-CA 3.28Å; F149-S152 WeakPolarHBondContact O-CB 3.49Å; F149-S152 PolarHBondContact O-N 3.27Å; F149-S152 VanDerWaalsContact O-N 3.11Å; E150-S152 PolarHBondContact O-N 2.57Å; S152-K156 WeakPolarHBondContact O-CD 3.41Å; S152-K156 VanDerWaalsContact O-CG 3.31Å; S152-K156 WeakPolarHBondContact O-CG 3.2Å |
| 153 | Q | 98.7 | Very high | 98.7 | Very high | 74 Ų | 74 | 108.3 Ų | 108.3 | 35% | 0.346 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -79 | -47.7 | 170 | -64.5 | -157.8 | 106.1 | 0 | 0 | 111.8 | F149 E150 K151 K155 K156 F157 | F149-Q153 HydrophobicContact CE1-CG 4.17Å; F149-Q153 VanDerWaalsContact CE1-NE2 3.28Å; F149-Q153 HydrophobicContact CE2-CG 4.31Å; F149-Q153 HydrophobicContact CZ-CG 4.02Å; F149-Q153 WeakPolarHBondContact O-CG 3.33Å; F149-Q153 PolarHBondContact O-N 2.88Å; E150-Q153 PolarHBondContact O-N 3.22Å; K151-Q153 VanDerWaalsContact C-N 3.28Å; K151-Q153 PolarHBondContact O-N 2.98Å; Q153-K155 VanDerWaalsContact C-N 3.29Å; Q153-K155 PolarHBondContact O-N 3.18Å; Q153-K156 WeakPolarHBondContact O-CA 3.34Å; Q153-K156 WeakPolarHBondContact O-CB 3.42Å; Q153-K156 PolarHBondContact O-N 3.37Å; Q153-F157 HydrophobicContact CB-CE2 4.32Å; Q153-F157 VanDerWaalsContact O-CD2 3.29Å; Q153-F157 WeakPolarHBondContact O-CD2 3.37Å; Q153-F157 PolarHBondContact O-N 3.3Å |
| 154 | V | 98.7 | Very high | 98.6 | Very high | 82 Ų | 82 | 109.5 Ų | 109.5 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -53.8 | -48.1 | 175.4 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | E150 K151 K156 F157 E158 | E150-V154 WeakPolarHBondContact O-CG2 3.44Å; E150-V154 PolarHBondContact O-N 2.81Å; K151-V154 PolarHBondContact O-N 3.31Å; V154-K156 PolarHBondContact O-N 2.95Å; V154-K156 VanDerWaalsContact O-N 3.12Å; V154-F157 PolarHBondContact O-N 2.91Å; V154-F157 VanDerWaalsContact O-N 3.09Å; V154-E158 HydrophobicContact CG1-CG 4.13Å; V154-E158 WeakPolarHBondContact O-CG 3.24Å; V154-E158 PolarHBondContact O-N 3.4Å |
| 155 | K | 98.7 | Very high | 98.6 | Very high | 131 Ų | 131 | 109.3 Ų | 109.3 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.1 | -11.1 | 177.6 | -167 | 173.5 | -174.8 | 174.9 | 0 | 115.1 | K151 Q153 K159 | K151-K155 WeakPolarHBondContact O-CB 3.46Å; K151-K155 PolarHBondContact O-N 3.48Å; Q153-K155 VanDerWaalsContact C-N 3.29Å; Q153-K155 PolarHBondContact O-N 3.18Å; K155-K159 WeakPolarHBondContact O-CD 3.37Å; K155-K159 WeakPolarHBondContact O-CE 3.31Å; K155-K159 WeakPolarHBondContact O-CG 3.44Å |
| 156 | K | 98.7 | Very high | 98.6 | Very high | 121 Ų | 121 | 106.6 Ų | 106.6 | 53% | 0.526 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -86.2 | -52.2 | 166.4 | -70.9 | 165.9 | -174.7 | 176.3 | 0 | 109.8 | S152 Q153 V154 E158 K159 E160 | S152-K156 WeakPolarHBondContact O-CD 3.41Å; S152-K156 VanDerWaalsContact O-CG 3.31Å; S152-K156 WeakPolarHBondContact O-CG 3.2Å; Q153-K156 WeakPolarHBondContact O-CA 3.34Å; Q153-K156 WeakPolarHBondContact O-CB 3.42Å; Q153-K156 PolarHBondContact O-N 3.37Å; V154-K156 PolarHBondContact O-N 2.95Å; V154-K156 VanDerWaalsContact O-N 3.12Å; K156-E158 VanDerWaalsContact C-N 3.32Å; K156-E158 PolarHBondContact O-N 3.13Å; K156-K159 WeakPolarHBondContact O-CB 3.4Å; K156-K159 PolarHBondContact O-N 3.5Å; K156-E160 PolarHBondContact O-N 3.03Å |
| 157 | F | 98.4 | Very high | 98.6 | Very high | 127 Ų | 127 | 107.9 Ų | 107.9 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.9 | -35.7 | 180 | -65.2 | -54.4 | 0 | 0 | 0 | 113.1 | Q153 V154 K159 E160 Q161 | Q153-F157 HydrophobicContact CB-CE2 4.32Å; Q153-F157 VanDerWaalsContact O-CD2 3.29Å; Q153-F157 WeakPolarHBondContact O-CD2 3.37Å; Q153-F157 PolarHBondContact O-N 3.3Å; V154-F157 PolarHBondContact O-N 2.91Å; V154-F157 VanDerWaalsContact O-N 3.09Å; F157-K159 VanDerWaalsContact C-N 3.3Å; F157-K159 PolarHBondContact O-N 3.03Å; F157-E160 PolarHBondContact O-N 3.2Å; F157-Q161 VanDerWaalsContact O-CB 3.25Å; F157-Q161 WeakPolarHBondContact O-CB 3.15Å; F157-Q161 PolarHBondContact O-N 2.98Å |
| 158 | E | 98.6 | Very high | 98.6 | Very high | 106 Ų | 106 | 108.1 Ų | 108.1 | 50% | 0.495 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.3 | -40.5 | 170.5 | -74.8 | 174.8 | 159.9 | 0 | 0 | 112.5 | V154 K156 K162 | V154-E158 HydrophobicContact CG1-CG 4.13Å; V154-E158 WeakPolarHBondContact O-CG 3.24Å; V154-E158 PolarHBondContact O-N 3.4Å; K156-E158 VanDerWaalsContact C-N 3.32Å; K156-E158 PolarHBondContact O-N 3.13Å; E158-K162 VanDerWaalsContact O-CB 3.23Å; E158-K162 WeakPolarHBondContact O-CB 3.34Å; E158-K162 PolarHBondContact O-N 3.32Å |
| 159 | K | 98.7 | Very high | 98.6 | Very high | 140 Ų | 140 | 108.4 Ų | 108.4 | 61% | 0.609 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.7 | -38.5 | 178.2 | -67.4 | 173.6 | -177.6 | -180 | 0 | 111.4 | K155 K156 F157 K162 K163 | K155-K159 WeakPolarHBondContact O-CD 3.37Å; K155-K159 WeakPolarHBondContact O-CE 3.31Å; K155-K159 WeakPolarHBondContact O-CG 3.44Å; K156-K159 WeakPolarHBondContact O-CB 3.4Å; K156-K159 PolarHBondContact O-N 3.5Å; F157-K159 VanDerWaalsContact C-N 3.3Å; F157-K159 PolarHBondContact O-N 3.03Å; K159-K162 PolarHBondContact O-N 3.38Å; K159-K163 WeakPolarHBondContact O-CB 3.46Å; K159-K163 PolarHBondContact O-N 3.33Å |
| 160 | E | 98.6 | Very high | 98.6 | Very high | 108 Ų | 108 | 107.7 Ų | 107.7 | 51% | 0.505 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.9 | -45.1 | 177.4 | -69.5 | 174.9 | 177.3 | 0 | 0 | 111.1 | K156 F157 K162 K163 L164 | K156-E160 PolarHBondContact O-N 3.03Å; F157-E160 PolarHBondContact O-N 3.2Å; E160-K162 PolarHBondContact O-N 2.92Å; E160-K163 WeakPolarHBondContact O-CB 3.31Å; E160-K163 PolarHBondContact O-N 3.09Å; E160-L164 WeakPolarHBondContact O-CB 3.22Å; E160-L164 WeakPolarHBondContact O-CG 3.47Å; E160-L164 PolarHBondContact O-N 2.94Å |
| 161 | Q | 98.6 | Very high | 98.6 | Very high | 141 Ų | 141 | 107.5 Ų | 107.5 | 66% | 0.659 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.9 | -47.6 | 171.1 | -173.9 | -169.1 | 52.6 | 0 | 0 | 111.1 | F157 K163 L164 S165 | F157-Q161 VanDerWaalsContact O-CB 3.25Å; F157-Q161 WeakPolarHBondContact O-CB 3.15Å; F157-Q161 PolarHBondContact O-N 2.98Å; Q161-K163 VanDerWaalsContact C-N 3.34Å; Q161-K163 PolarHBondContact O-N 3.42Å; Q161-L164 PolarHBondContact O-N 3.02Å; Q161-S165 VanDerWaalsContact O-CB 3.26Å; Q161-S165 WeakPolarHBondContact O-CB 3.09Å; Q161-S165 PolarHBondContact O-N 3.18Å |
| 162 | K | 98.8 | Very high | 98.6 | Very high | 164 Ų | 164 | 109.5 Ų | 109.5 | 71% | 0.713 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -38.8 | 176.8 | -174.3 | 170.3 | -177 | 172.3 | 0 | 112.4 | E158 K159 E160 S166 | E158-K162 VanDerWaalsContact O-CB 3.23Å; E158-K162 WeakPolarHBondContact O-CB 3.34Å; E158-K162 PolarHBondContact O-N 3.32Å; K159-K162 PolarHBondContact O-N 3.38Å; E160-K162 PolarHBondContact O-N 2.92Å; K162-S166 WeakPolarHBondContact O-CB 3.12Å; K162-S166 PolarHBondContact O-N 3.24Å |
| 163 | K | 98.7 | Very high | 98.6 | Very high | 152 Ų | 152 | 110.2 Ų | 110.2 | 66% | 0.661 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.9 | -49.6 | 175.3 | -176.9 | -174.9 | 175.5 | -171.9 | 0 | 111.4 | K159 E160 Q161 S165 S166 Q167 | K159-K163 WeakPolarHBondContact O-CB 3.46Å; K159-K163 PolarHBondContact O-N 3.33Å; E160-K163 WeakPolarHBondContact O-CB 3.31Å; E160-K163 PolarHBondContact O-N 3.09Å; Q161-K163 VanDerWaalsContact C-N 3.34Å; Q161-K163 PolarHBondContact O-N 3.42Å; K163-S165 PolarHBondContact O-N 3.05Å; K163-S166 WeakPolarHBondContact O-CB 3.28Å; K163-S166 PolarHBondContact O-N 3.2Å; K163-Q167 PolarHBondContact O-N 2.96Å |
| 164 | L | 98.5 | Very high | 98.6 | Very high | 112 Ų | 112 | 111.9 Ų | 111.9 | 59% | 0.586 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 178.8 | -69.7 | 170.4 | 0 | 0 | 0 | 111.7 | E160 Q161 Q167 L168 | E160-L164 WeakPolarHBondContact O-CB 3.22Å; E160-L164 WeakPolarHBondContact O-CG 3.47Å; E160-L164 PolarHBondContact O-N 2.94Å; Q161-L164 PolarHBondContact O-N 3.02Å; L164-Q167 PolarHBondContact O-N 2.9Å; L164-L168 WeakPolarHBondContact O-CB 3.34Å; L164-L168 PolarHBondContact O-N 3.41Å |
| 165 | S | 98.4 | Very high | 98.6 | Very high | 74 Ų | 74 | 114.4 Ų | 114.4 | 52% | 0.517 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 173.7 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | Q161 K163 E169 | Q161-S165 VanDerWaalsContact O-CB 3.26Å; Q161-S165 WeakPolarHBondContact O-CB 3.09Å; Q161-S165 PolarHBondContact O-N 3.18Å; K163-S165 PolarHBondContact O-N 3.05Å; S165-E169 PolarHBondContact O-N 2.88Å; S165-E169 VanDerWaalsContact O-N 3.16Å |
| 166 | S | 98.5 | Very high | 98.6 | Very high | 79 Ų | 79 | 116.1 Ų | 116.1 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.3 | -40.1 | 175.6 | -167.3 | 0 | 0 | 0 | 0 | 111.8 | K162 K163 E169 E170 | K162-S166 WeakPolarHBondContact O-CB 3.12Å; K162-S166 PolarHBondContact O-N 3.24Å; K163-S166 WeakPolarHBondContact O-CB 3.28Å; K163-S166 PolarHBondContact O-N 3.2Å; S166-E169 PolarHBondContact O-N 3.48Å; S166-E170 PolarHBondContact O-N 3.41Å |
| 167 | Q | 98.6 | Very high | 98.6 | Very high | 109 Ų | 109 | 117.2 Ų | 117.2 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.4 | -38.9 | 177.9 | -173.4 | 176.3 | -4.3 | 0 | 0 | 112.1 | K163 L164 E169 E170 E171 | K163-Q167 PolarHBondContact O-N 2.96Å; L164-Q167 PolarHBondContact O-N 2.9Å; Q167-E169 VanDerWaalsContact C-N 3.33Å; Q167-E169 PolarHBondContact O-N 3.17Å; Q167-E170 PolarHBondContact O-N 3.41Å; Q167-E171 PolarHBondContact O-N 3.21Å |
| 168 | L | 98.4 | Very high | 98.6 | Very high | 95 Ų | 95 | 116 Ų | 116 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.5 | -40 | 174.9 | 178.3 | 61.8 | 0 | 0 | 0 | 111.9 | L164 R172 | L164-L168 WeakPolarHBondContact O-CB 3.34Å; L164-L168 PolarHBondContact O-N 3.41Å; L168-R172 WeakPolarHBondContact O-CB 3.47Å; L168-R172 VanDerWaalsContact O-CG 3.28Å; L168-R172 WeakPolarHBondContact O-CG 3.5Å; L168-R172 PolarHBondContact O-N 3.39Å |
| 169 | E | 98.4 | Very high | 98.6 | Very high | 105 Ų | 105 | 113.6 Ų | 113.6 | 49% | 0.491 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -74.9 | -32.6 | 178.5 | -161.4 | 57.5 | -150.8 | 0 | 0 | 112.2 | S165 S166 Q167 R172 S173 | S165-E169 PolarHBondContact O-N 2.88Å; S165-E169 VanDerWaalsContact O-N 3.16Å; S166-E169 PolarHBondContact O-N 3.48Å; Q167-E169 VanDerWaalsContact C-N 3.33Å; Q167-E169 PolarHBondContact O-N 3.17Å; E169-R172 PolarHBondContact O-N 3Å; E169-R172 WeakPolarHBondContact OE2-CD 3.36Å; E169-R172 IonicContact OE2-CZ 2.68Å; E169-R172 IonicContact OE2-NE 3.56Å; E169-R172 IonicContact OE2-NH1 3.71Å; E169-R172 PolarHBondContact OE2-NH1 3.28Å; E169-S173 WeakPolarHBondContact O-CB 3.39Å; E169-S173 PolarHBondContact O-N 3.02Å |
| 170 | E | 98.6 | Very high | 98.6 | Very high | 91 Ų | 91 | 110.9 Ų | 110.9 | 43% | 0.425 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 169.3 | -166.7 | -174.5 | 151.6 | 0 | 0 | 111.3 | S166 Q167 R172 S173 R174 | S166-E170 PolarHBondContact O-N 3.41Å; Q167-E170 PolarHBondContact O-N 3.41Å; E170-R172 PolarHBondContact O-N 2.85Å; E170-S173 WeakPolarHBondContact O-CB 3.45Å; E170-S173 PolarHBondContact O-N 2.99Å; E170-S173 VanDerWaalsContact O-N 3.11Å; E170-S173 PolarHBondContact O-OG 3.04Å; E170-R174 PolarHBondContact O-N 3.2Å; E170-R174 IonicContact OE1-CZ 3.19Å; E170-R174 IonicContact OE1-NH1 2.69Å; E170-R174 PolarHBondContact OE1-NH1 3.38Å; E170-R174 IonicContact OE1-NH2 2.69Å; E170-R174 PolarHBondContact OE1-NH2 2.85Å |
| 171 | E | 98.4 | Very high | 98.6 | Very high | 94 Ų | 94 | 111.1 Ų | 111.1 | 44% | 0.439 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.5 | -34.9 | 177.7 | -73.3 | -54.8 | 119.8 | 0 | 0 | 113.2 | Q167 S173 R174 H175 | Q167-E171 PolarHBondContact O-N 3.21Å; E171-S173 VanDerWaalsContact C-N 3.31Å; E171-S173 PolarHBondContact O-N 3.09Å; E171-R174 PolarHBondContact O-N 3.37Å; E171-R174 IonicContact OE1-CZ 3.3Å; E171-R174 IonicContact OE1-NE 2.67Å; E171-R174 IonicContact OE1-NH1 3.26Å; E171-R174 PolarHBondContact OE1-NH1 3.07Å; E171-H175 WeakPolarHBondContact O-CB 3.35Å; E171-H175 PolarHBondContact O-N 3.12Å |
| 172 | R | 98.5 | Very high | 98.6 | Very high | 143 Ų | 143 | 109.8 Ų | 109.8 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 168.5 | -77.7 | 167.4 | 166.5 | -173.6 | -2.9 | 112 | L168 E169 E170 H175 K176 | L168-R172 WeakPolarHBondContact O-CB 3.47Å; L168-R172 VanDerWaalsContact O-CG 3.28Å; L168-R172 WeakPolarHBondContact O-CG 3.5Å; L168-R172 PolarHBondContact O-N 3.39Å; E169-R172 PolarHBondContact O-N 3Å; E169-R172 WeakPolarHBondContact OE2-CD 3.36Å; E169-R172 IonicContact OE2-CZ 2.68Å; E169-R172 IonicContact OE2-NE 3.56Å; E169-R172 IonicContact OE2-NH1 3.71Å; E169-R172 PolarHBondContact OE2-NH1 3.28Å; E170-R172 PolarHBondContact O-N 2.85Å; R172-H175 PolarHBondContact O-N 3.03Å; R172-K176 WeakPolarHBondContact O-CB 3.25Å; R172-K176 PolarHBondContact O-N 3.39Å |
| 173 | S | 98.6 | Very high | 98.6 | Very high | 66 Ų | 66 | 106.5 Ų | 106.5 | 46% | 0.462 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 176.8 | 83.7 | 0 | 0 | 0 | 0 | 111.8 | E169 E170 E171 K176 Q177 | E169-S173 WeakPolarHBondContact O-CB 3.39Å; E169-S173 PolarHBondContact O-N 3.02Å; E170-S173 WeakPolarHBondContact O-CB 3.45Å; E170-S173 PolarHBondContact O-N 2.99Å; E170-S173 VanDerWaalsContact O-N 3.11Å; E170-S173 PolarHBondContact O-OG 3.04Å; E171-S173 VanDerWaalsContact C-N 3.31Å; E171-S173 PolarHBondContact O-N 3.09Å; S173-K176 PolarHBondContact O-N 2.77Å; S173-Q177 PolarHBondContact O-N 3.06Å |
| 174 | R | 98.5 | Very high | 98.6 | Very high | 109 Ų | 109 | 104.6 Ų | 104.6 | 41% | 0.411 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 171.8 | -73.6 | -166.9 | 174 | 90.2 | 19.6 | 111.6 | E170 E171 K176 Q177 L178 | E170-R174 PolarHBondContact O-N 3.2Å; E170-R174 IonicContact OE1-CZ 3.19Å; E170-R174 IonicContact OE1-NH1 2.69Å; E170-R174 PolarHBondContact OE1-NH1 3.38Å; E170-R174 IonicContact OE1-NH2 2.69Å; E170-R174 PolarHBondContact OE1-NH2 2.85Å; E171-R174 PolarHBondContact O-N 3.37Å; E171-R174 IonicContact OE1-CZ 3.3Å; E171-R174 IonicContact OE1-NE 2.67Å; E171-R174 IonicContact OE1-NH1 3.26Å; E171-R174 PolarHBondContact OE1-NH1 3.07Å; R174-K176 VanDerWaalsContact C-N 3.33Å; R174-K176 PolarHBondContact O-N 2.67Å; R174-Q177 WeakPolarHBondContact O-CB 3.32Å; R174-Q177 PolarHBondContact O-N 3.23Å; R174-Q177 VanDerWaalsContact O-N 3.17Å; R174-L178 WeakPolarHBondContact O-CG 3.33Å; R174-L178 PolarHBondContact O-N 3.23Å |
| 175 | H | 98.6 | Very high | 98.6 | Very high | 135 Ų | 135 | 103.5 Ų | 103.5 | 63% | 0.625 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -41.7 | -179.9 | -170.6 | 93.6 | 0 | 0 | 0 | 111.8 | E171 R172 Q177 L178 S179 | E171-H175 WeakPolarHBondContact O-CB 3.35Å; E171-H175 PolarHBondContact O-N 3.12Å; R172-H175 PolarHBondContact O-N 3.03Å; H175-Q177 PolarHBondContact O-N 3.14Å; H175-L178 PolarHBondContact O-N 3.44Å; H175-S179 VanDerWaalsContact O-CB 3.24Å; H175-S179 WeakPolarHBondContact O-CB 3.45Å; H175-S179 PolarHBondContact O-N 3.16Å |
| 176 | K | 98.8 | Very high | 98.6 | Very high | 167 Ų | 167 | 103.2 Ų | 103.2 | 73% | 0.726 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.9 | -41.2 | 174.7 | -174.7 | 177.6 | -180 | 179.5 | 0 | 112.2 | R172 S173 R174 S180 | R172-K176 WeakPolarHBondContact O-CB 3.25Å; R172-K176 PolarHBondContact O-N 3.39Å; S173-K176 PolarHBondContact O-N 2.77Å; R174-K176 VanDerWaalsContact C-N 3.33Å; R174-K176 PolarHBondContact O-N 2.67Å; K176-S180 WeakPolarHBondContact O-CB 3.43Å; K176-S180 PolarHBondContact O-N 3.49Å |
| 177 | Q | 98.6 | Very high | 98.6 | Very high | 144 Ų | 144 | 106 Ų | 106 | 67% | 0.673 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.1 | -47.6 | 175.5 | -174.7 | -179.7 | 2.9 | 0 | 0 | 111.7 | S173 R174 H175 S180 M181 | S173-Q177 PolarHBondContact O-N 3.06Å; R174-Q177 WeakPolarHBondContact O-CB 3.32Å; R174-Q177 PolarHBondContact O-N 3.23Å; R174-Q177 VanDerWaalsContact O-N 3.17Å; H175-Q177 PolarHBondContact O-N 3.14Å; Q177-S180 PolarHBondContact O-N 2.66Å; Q177-M181 WeakPolarHBondContact O-CB 3.44Å; Q177-M181 PolarHBondContact O-N 3.11Å |
| 178 | L | 98.7 | Very high | 98.6 | Very high | 101 Ų | 101 | 106.3 Ų | 106.3 | 53% | 0.529 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 177.8 | -70.9 | 170.3 | 0 | 0 | 0 | 111.9 | R174 H175 M181 L182 | R174-L178 WeakPolarHBondContact O-CG 3.33Å; R174-L178 PolarHBondContact O-N 3.23Å; H175-L178 PolarHBondContact O-N 3.44Å; L178-M181 HydrophobicContact CD2-CE 3.96Å; L178-M181 PolarHBondContact O-N 2.92Å; L178-L182 WeakPolarHBondContact O-CB 3.49Å; L178-L182 PolarHBondContact O-N 3.5Å |
| 179 | S | 98.8 | Very high | 98.6 | Very high | 57 Ų | 57 | 104.8 Ų | 104.8 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 174.6 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | H175 M181 L182 V183 | H175-S179 VanDerWaalsContact O-CB 3.24Å; H175-S179 WeakPolarHBondContact O-CB 3.45Å; H175-S179 PolarHBondContact O-N 3.16Å; S179-M181 VanDerWaalsContact C-N 3.31Å; S179-M181 PolarHBondContact O-N 3.47Å; S179-L182 PolarHBondContact O-N 2.97Å; S179-V183 WeakPolarHBondContact O-CG2 3.44Å; S179-V183 PolarHBondContact O-N 3.44Å |
| 180 | S | 98.6 | Very high | 98.6 | Very high | 82 Ų | 82 | 104.3 Ų | 104.3 | 57% | 0.573 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.6 | -35.6 | 176.7 | -171.1 | 0 | 0 | 0 | 0 | 113 | K176 Q177 L184 | K176-S180 WeakPolarHBondContact O-CB 3.43Å; K176-S180 PolarHBondContact O-N 3.49Å; Q177-S180 PolarHBondContact O-N 2.66Å; S180-L184 PolarHBondContact O-N 2.95Å |
| 181 | M | 98.6 | Very high | 98.6 | Very high | 113 Ų | 113 | 104.1 Ų | 104.1 | 56% | 0.557 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.4 | -43.5 | 175.7 | -176.7 | 179.3 | 71.7 | 0 | 0 | 111.5 | Q177 L178 S179 L184 E185 | Q177-M181 WeakPolarHBondContact O-CB 3.44Å; Q177-M181 PolarHBondContact O-N 3.11Å; L178-M181 HydrophobicContact CD2-CE 3.96Å; L178-M181 PolarHBondContact O-N 2.92Å; S179-M181 VanDerWaalsContact C-N 3.31Å; S179-M181 PolarHBondContact O-N 3.47Å; M181-L184 WeakPolarHBondContact O-CB 3.5Å; M181-L184 PolarHBondContact O-N 2.89Å; M181-E185 PolarHBondContact O-N 2.88Å |
| 182 | L | 98.7 | Very high | 98.6 | Very high | 113 Ų | 113 | 105.9 Ų | 105.9 | 59% | 0.592 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 177.1 | -178.4 | 61.1 | 0 | 0 | 0 | 111.4 | L178 S179 L184 E185 C186 | L178-L182 WeakPolarHBondContact O-CB 3.49Å; L178-L182 PolarHBondContact O-N 3.5Å; S179-L182 PolarHBondContact O-N 2.97Å; L182-L184 VanDerWaalsContact C-N 3.27Å; L182-L184 PolarHBondContact O-N 3.01Å; L182-E185 PolarHBondContact O-N 3.38Å; L182-C186 WeakPolarHBondContact O-CB 3.4Å; L182-C186 PolarHBondContact O-N 3.01Å; L182-C186 PolarHBondContact O-SG 2.91Å |
| 183 | V | 98.8 | Very high | 98.6 | Very high | 95 Ų | 95 | 102.2 Ų | 102.2 | 58% | 0.576 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.7 | -37.7 | 175.2 | 169.1 | 0 | 0 | 0 | 0 | 111.7 | S179 K187 | S179-V183 WeakPolarHBondContact O-CG2 3.44Å; S179-V183 PolarHBondContact O-N 3.44Å; V183-K187 WeakPolarHBondContact O-CB 3.28Å; V183-K187 PolarHBondContact O-N 3.35Å |
| 184 | L | 98.5 | Very high | 98.5 | Very high | 112 Ų | 112 | 102.2 Ų | 102.2 | 59% | 0.586 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.1 | -45.7 | 176.7 | -175.9 | 63.6 | 0 | 0 | 0 | 112.1 | S180 M181 L182 K187 K188 | S180-L184 PolarHBondContact O-N 2.95Å; M181-L184 WeakPolarHBondContact O-CB 3.5Å; M181-L184 PolarHBondContact O-N 2.89Å; L182-L184 VanDerWaalsContact C-N 3.27Å; L182-L184 PolarHBondContact O-N 3.01Å; L184-K187 PolarHBondContact O-N 2.69Å; L184-K188 VanDerWaalsContact O-CB 3.28Å; L184-K188 WeakPolarHBondContact O-CB 3.47Å; L184-K188 PolarHBondContact O-N 2.92Å |
| 185 | E | 98.4 | Very high | 98.5 | Very high | 90 Ų | 90 | 102 Ų | 102 | 42% | 0.421 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 176.6 | -74.1 | -62.1 | 134.2 | 0 | 0 | 112.5 | M181 L182 K188 A189 | M181-E185 PolarHBondContact O-N 2.88Å; L182-E185 PolarHBondContact O-N 3.38Å; E185-K188 PolarHBondContact O-N 3.4Å; E185-K188 WeakPolarHBondContact OE1-CD 3.42Å; E185-K188 IonicContact OE1-NZ 3.92Å; E185-K188 PolarHBondContact OE1-NZ 3.28Å; E185-K188 IonicContact OE2-NZ 3.25Å; E185-K188 PolarHBondContact OE2-NZ 2.83Å; E185-A189 WeakPolarHBondContact O-CB 3.25Å; E185-A189 PolarHBondContact O-N 3.2Å |
| 186 | C | 98.4 | Very high | 98.5 | Very high | 68 Ų | 68 | 99.9 Ų | 99.9 | 46% | 0.459 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 171.1 | -72.5 | 0 | 0 | 0 | 0 | 111.1 | L182 K188 A189 T190 | L182-C186 WeakPolarHBondContact O-CB 3.4Å; L182-C186 PolarHBondContact O-N 3.01Å; L182-C186 PolarHBondContact O-SG 2.91Å; C186-K188 VanDerWaalsContact C-N 3.32Å; C186-K188 PolarHBondContact O-N 2.82Å; C186-A189 PolarHBondContact O-N 3.2Å; C186-T190 PolarHBondContact O-N 3.48Å; C186-T190 PolarHBondContact O-OG1 3.18Å; C186-T190 VanDerWaalsContact O-OG1 3.08Å |
| 187 | K | 98.6 | Very high | 98.4 | Very high | 136 Ų | 136 | 94 Ų | 94 | 59% | 0.591 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.2 | -42.3 | 177.1 | -179.3 | 173.5 | 179.8 | 174.6 | 0 | 112.1 | V183 L184 T190 N191 | V183-K187 WeakPolarHBondContact O-CB 3.28Å; V183-K187 PolarHBondContact O-N 3.35Å; L184-K187 PolarHBondContact O-N 2.69Å; K187-T190 PolarHBondContact O-N 3.46Å; K187-N191 WeakPolarHBondContact O-CB 3.39Å; K187-N191 VanDerWaalsContact O-CG 3.29Å; K187-N191 PolarHBondContact O-N 3.42Å; K187-N191 PolarHBondContact O-OD1 2.85Å |
| 188 | K | 98.6 | Very high | 98.4 | Very high | 117 Ų | 117 | 93.1 Ų | 93.1 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 176 | 174.1 | -177.5 | 163.1 | -146.9 | 0 | 112.2 | L184 E185 C186 K192 | L184-K188 VanDerWaalsContact O-CB 3.28Å; L184-K188 WeakPolarHBondContact O-CB 3.47Å; L184-K188 PolarHBondContact O-N 2.92Å; E185-K188 PolarHBondContact O-N 3.4Å; E185-K188 WeakPolarHBondContact OE1-CD 3.42Å; E185-K188 IonicContact OE1-NZ 3.92Å; E185-K188 PolarHBondContact OE1-NZ 3.28Å; E185-K188 IonicContact OE2-NZ 3.25Å; E185-K188 PolarHBondContact OE2-NZ 2.83Å; C186-K188 VanDerWaalsContact C-N 3.32Å; C186-K188 PolarHBondContact O-N 2.82Å; K188-K192 PolarHBondContact O-N 3.12Å |
| 189 | A | 98.3 | Very high | 98.4 | Very high | 62 Ų | 62 | 92.3 Ų | 92.3 | 51% | 0.512 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | E185 C186 K192 A193 | E185-A189 WeakPolarHBondContact O-CB 3.25Å; E185-A189 PolarHBondContact O-N 3.2Å; C186-A189 PolarHBondContact O-N 3.2Å; A189-K192 PolarHBondContact O-N 3.07Å; A189-A193 WeakPolarHBondContact O-CB 3.43Å; A189-A193 PolarHBondContact O-N 3.37Å |
| 190 | T | 98.6 | Very high | 98.3 | Very high | 96 Ų | 96 | 92.3 Ų | 92.3 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -46 | 174.5 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | C186 K187 K192 A193 A194 | C186-T190 PolarHBondContact O-N 3.48Å; C186-T190 PolarHBondContact O-OG1 3.18Å; C186-T190 VanDerWaalsContact O-OG1 3.08Å; K187-T190 PolarHBondContact O-N 3.46Å; T190-K192 PolarHBondContact O-N 2.95Å; T190-A193 PolarHBondContact O-N 3.05Å; T190-A194 PolarHBondContact O-N 3.06Å |
| 191 | N | 98.5 | Very high | 98.3 | Very high | 86 Ų | 86 | 90.4 Ų | 90.4 | 46% | 0.46 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.6 | -49.5 | 175.4 | -75.5 | 10.9 | 0 | 0 | 0 | 111.2 | K187 A193 A194 E195 | K187-N191 WeakPolarHBondContact O-CB 3.39Å; K187-N191 VanDerWaalsContact O-CG 3.29Å; K187-N191 PolarHBondContact O-N 3.42Å; K187-N191 PolarHBondContact O-OD1 2.85Å; N191-A193 VanDerWaalsContact C-N 3.33Å; N191-A193 PolarHBondContact O-N 3.43Å; N191-A194 WeakPolarHBondContact O-CB 3.48Å; N191-A194 PolarHBondContact O-N 3.03Å; N191-A194 VanDerWaalsContact O-N 3.15Å; N191-E195 WeakPolarHBondContact O-CG 3.4Å; N191-E195 PolarHBondContact O-N 3.01Å |
| 192 | K | 98.4 | Very high | 98.3 | Very high | 131 Ų | 131 | 88.9 Ų | 88.9 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.7 | -38.9 | 178.5 | -172.1 | 176.1 | -180 | -178.2 | 0 | 112.3 | K188 A189 T190 A194 E195 E196 | K188-K192 PolarHBondContact O-N 3.12Å; A189-K192 PolarHBondContact O-N 3.07Å; T190-K192 PolarHBondContact O-N 2.95Å; K192-A194 VanDerWaalsContact C-N 3.32Å; K192-A194 PolarHBondContact O-N 3.06Å; K192-E195 PolarHBondContact O-N 2.71Å; K192-E196 WeakPolarHBondContact O-CG 3.46Å; K192-E196 PolarHBondContact O-N 2.73Å |
| 193 | A | 98.4 | Very high | 98.3 | Very high | 67 Ų | 67 | 88.8 Ų | 88.8 | 55% | 0.554 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.6 | -37.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A189 T190 N191 G197 | A189-A193 WeakPolarHBondContact O-CB 3.43Å; A189-A193 PolarHBondContact O-N 3.37Å; T190-A193 PolarHBondContact O-N 3.05Å; N191-A193 VanDerWaalsContact C-N 3.33Å; N191-A193 PolarHBondContact O-N 3.43Å; A193-G197 PolarHBondContact O-N 2.83Å |
| 194 | A | 98.3 | Very high | 98.2 | Very high | 66 Ų | 66 | 87.6 Ų | 87.6 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -41.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T190 N191 K192 G197 Q198 | T190-A194 PolarHBondContact O-N 3.06Å; N191-A194 WeakPolarHBondContact O-CB 3.48Å; N191-A194 PolarHBondContact O-N 3.03Å; N191-A194 VanDerWaalsContact O-N 3.15Å; K192-A194 VanDerWaalsContact C-N 3.32Å; K192-A194 PolarHBondContact O-N 3.06Å; A194-G197 PolarHBondContact O-N 2.81Å; A194-Q198 PolarHBondContact O-N 3.23Å |
| 195 | E | 98 | Very high | 98.2 | Very high | 103 Ų | 103 | 88.5 Ų | 88.5 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 174.7 | -71.3 | 172 | -147.7 | 0 | 0 | 112.6 | N191 K192 G197 Q198 K199 | N191-E195 WeakPolarHBondContact O-CG 3.4Å; N191-E195 PolarHBondContact O-N 3.01Å; K192-E195 PolarHBondContact O-N 2.71Å; E195-G197 VanDerWaalsContact C-N 3.34Å; E195-Q198 PolarHBondContact O-N 3.38Å; E195-K199 WeakPolarHBondContact O-CD 3.43Å; E195-K199 VanDerWaalsContact O-CG 3.3Å; E195-K199 WeakPolarHBondContact O-CG 3.49Å; E195-K199 PolarHBondContact O-N 3.31Å; E195-K199 IonicContact OE2-NZ 2.91Å |
| 196 | E | 97.3 | Very high | 98.2 | Very high | 92 Ų | 92 | 89.8 Ų | 89.8 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -33.7 | 175 | -61.5 | -50.5 | 144.5 | 0 | 0 | 112 | K192 K199 A200 | K192-E196 WeakPolarHBondContact O-CG 3.46Å; K192-E196 PolarHBondContact O-N 2.73Å; E196-K199 PolarHBondContact O-N 2.98Å; E196-K199 IonicContact OE1-NZ 2.68Å; E196-K199 PolarHBondContact OE1-NZ 2.85Å; E196-K199 WeakPolarHBondContact OE2-CD 3.26Å; E196-K199 IonicContact OE2-NZ 2.93Å; E196-A200 VanDerWaalsContact O-CB 3.31Å; E196-A200 WeakPolarHBondContact O-CB 3.48Å; E196-A200 PolarHBondContact O-N 3.19Å |
| 197 | G | 98 | Very high | 98.2 | Very high | 43 Ų | 43 | 91.4 Ų | 91.4 | 44% | 0.443 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A193 A194 E195 A200 G201 | A193-G197 PolarHBondContact O-N 2.83Å; A194-G197 PolarHBondContact O-N 2.81Å; E195-G197 VanDerWaalsContact C-N 3.34Å; G197-A200 PolarHBondContact O-N 3.5Å; G197-G201 PolarHBondContact O-N 3.46Å |
| 198 | Q | 98.1 | Very high | 98.1 | Very high | 126 Ų | 126 | 89.8 Ų | 89.8 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.9 | -50.1 | 173.7 | -176.2 | -170.8 | -35.2 | 0 | 0 | 111.1 | A194 E195 A200 G201 E202 | A194-Q198 PolarHBondContact O-N 3.23Å; E195-Q198 PolarHBondContact O-N 3.38Å; Q198-A200 VanDerWaalsContact C-N 3.29Å; Q198-A200 PolarHBondContact O-N 2.85Å; Q198-G201 PolarHBondContact O-N 2.82Å; Q198-G201 VanDerWaalsContact O-N 3.1Å; Q198-E202 PolarHBondContact NE2-OE1 3.44Å; Q198-E202 PolarHBondContact O-N 2.96Å |
| 199 | K | 98.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 91.7 Ų | 91.7 | 37% | 0.365 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.4 | -42.4 | 178.3 | -69.1 | 157.9 | -174 | 147.9 | 0 | 111.6 | E195 E196 E202 L203 | E195-K199 WeakPolarHBondContact O-CD 3.43Å; E195-K199 VanDerWaalsContact O-CG 3.3Å; E195-K199 WeakPolarHBondContact O-CG 3.49Å; E195-K199 PolarHBondContact O-N 3.31Å; E195-K199 IonicContact OE2-NZ 2.91Å; E196-K199 PolarHBondContact O-N 2.98Å; E196-K199 IonicContact OE1-NZ 2.68Å; E196-K199 PolarHBondContact OE1-NZ 2.85Å; E196-K199 WeakPolarHBondContact OE2-CD 3.26Å; E196-K199 IonicContact OE2-NZ 2.93Å; K199-E202 PolarHBondContact O-N 3.04Å; K199-L203 WeakPolarHBondContact O-CB 3.32Å; K199-L203 VanDerWaalsContact O-CG 3.32Å; K199-L203 WeakPolarHBondContact O-CG 3.25Å; K199-L203 PolarHBondContact O-N 3.45Å |
| 200 | A | 97.9 | Very high | 98.1 | Very high | 57 Ų | 57 | 92.4 Ų | 92.4 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E196 G197 Q198 L203 S204 | E196-A200 VanDerWaalsContact O-CB 3.31Å; E196-A200 WeakPolarHBondContact O-CB 3.48Å; E196-A200 PolarHBondContact O-N 3.19Å; G197-A200 PolarHBondContact O-N 3.5Å; Q198-A200 VanDerWaalsContact C-N 3.29Å; Q198-A200 PolarHBondContact O-N 2.85Å; A200-L203 PolarHBondContact O-N 2.93Å; A200-S204 VanDerWaalsContact O-CB 3.31Å; A200-S204 WeakPolarHBondContact O-CB 3.17Å; A200-S204 PolarHBondContact O-N 3.2Å |
| 201 | G | 98 | Very high | 98 | Very high | 42 Ų | 42 | 92.8 Ų | 92.8 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G197 Q198 L203 S204 L205 | G197-G201 PolarHBondContact O-N 3.46Å; Q198-G201 PolarHBondContact O-N 2.82Å; Q198-G201 VanDerWaalsContact O-N 3.1Å; G201-L203 PolarHBondContact O-N 3.38Å; G201-S204 WeakPolarHBondContact O-CB 3.47Å; G201-S204 PolarHBondContact O-N 3.23Å; G201-L205 WeakPolarHBondContact O-CB 3.29Å; G201-L205 PolarHBondContact O-N 2.8Å |
| 202 | E | 98.1 | Very high | 98 | Very high | 81 Ų | 81 | 91.4 Ų | 91.4 | 38% | 0.379 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 175.6 | -73.1 | -176.9 | -146.4 | 0 | 0 | 113 | Q198 K199 K206 | Q198-E202 PolarHBondContact NE2-OE1 3.44Å; Q198-E202 PolarHBondContact O-N 2.96Å; K199-E202 PolarHBondContact O-N 3.04Å; E202-K206 VanDerWaalsContact O-CD 3.28Å; E202-K206 WeakPolarHBondContact O-CD 3.44Å; E202-K206 WeakPolarHBondContact O-CG 3.36Å; E202-K206 PolarHBondContact O-N 3.17Å; E202-K206 IonicContact OE2-NZ 3.91Å; E202-K206 PolarHBondContact OE2-NZ 2.91Å |
| 203 | L | 97.9 | Very high | 98 | Very high | 111 Ų | 111 | 91.1 Ų | 91.1 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.8 | -38.2 | 175.4 | -72.7 | 171.4 | 0 | 0 | 0 | 111.6 | K199 A200 G201 K206 L207 | K199-L203 WeakPolarHBondContact O-CB 3.32Å; K199-L203 VanDerWaalsContact O-CG 3.32Å; K199-L203 WeakPolarHBondContact O-CG 3.25Å; K199-L203 PolarHBondContact O-N 3.45Å; A200-L203 PolarHBondContact O-N 2.93Å; G201-L203 PolarHBondContact O-N 3.38Å; L203-K206 HydrophobicContact CD2-CD 4.46Å; L203-K206 PolarHBondContact O-N 2.93Å; L203-L207 WeakPolarHBondContact O-CB 3.43Å; L203-L207 PolarHBondContact O-N 3.19Å |
| 204 | S | 97.8 | Very high | 98 | Very high | 70 Ų | 70 | 90.8 Ų | 90.8 | 49% | 0.49 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 173.6 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | A200 G201 K206 L207 E208 | A200-S204 VanDerWaalsContact O-CB 3.31Å; A200-S204 WeakPolarHBondContact O-CB 3.17Å; A200-S204 PolarHBondContact O-N 3.2Å; G201-S204 WeakPolarHBondContact O-CB 3.47Å; G201-S204 PolarHBondContact O-N 3.23Å; S204-K206 PolarHBondContact O-N 3.46Å; S204-L207 PolarHBondContact O-N 3.03Å; S204-E208 WeakPolarHBondContact O-CB 3.2Å; S204-E208 PolarHBondContact O-N 2.92Å |
| 205 | L | 98.3 | Very high | 97.9 | Very high | 130 Ų | 130 | 91 Ų | 91 | 68% | 0.681 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.5 | -41.9 | 174.8 | -175 | 70.2 | 0 | 0 | 0 | 112.4 | G201 K209 | G201-L205 WeakPolarHBondContact O-CB 3.29Å; G201-L205 PolarHBondContact O-N 2.8Å; L205-K209 WeakPolarHBondContact O-CB 3.41Å; L205-K209 PolarHBondContact O-N 3.48Å |
| 206 | K | 98.1 | Very high | 97.9 | Very high | 118 Ų | 118 | 91.9 Ų | 91.9 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 175.5 | -72 | 158.2 | -171.1 | 154.5 | 0 | 111.3 | E202 L203 S204 E210 | E202-K206 VanDerWaalsContact O-CD 3.28Å; E202-K206 WeakPolarHBondContact O-CD 3.44Å; E202-K206 WeakPolarHBondContact O-CG 3.36Å; E202-K206 PolarHBondContact O-N 3.17Å; E202-K206 IonicContact OE2-NZ 3.91Å; E202-K206 PolarHBondContact OE2-NZ 2.91Å; L203-K206 HydrophobicContact CD2-CD 4.46Å; L203-K206 PolarHBondContact O-N 2.93Å; S204-K206 PolarHBondContact O-N 3.46Å; K206-E210 PolarHBondContact O-N 2.97Å; K206-E210 VanDerWaalsContact O-N 3.08Å |
| 207 | L | 97.8 | Very high | 97.9 | Very high | 102 Ų | 102 | 91.3 Ų | 91.3 | 53% | 0.534 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 176.1 | 176.1 | 62.3 | 0 | 0 | 0 | 111.9 | L203 S204 E210 K211 | L203-L207 WeakPolarHBondContact O-CB 3.43Å; L203-L207 PolarHBondContact O-N 3.19Å; S204-L207 PolarHBondContact O-N 3.03Å; L207-E210 PolarHBondContact O-N 3.11Å; L207-K211 HydrophobicContact CD1-CG 4.47Å; L207-K211 WeakPolarHBondContact O-CG 3.23Å; L207-K211 PolarHBondContact O-N 3.38Å |
| 208 | E | 97.8 | Very high | 97.9 | Very high | 102 Ų | 102 | 95.2 Ų | 95.2 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.5 | -37.6 | -179.6 | -158.1 | 58.7 | -134.4 | 0 | 0 | 111.7 | S204 E210 K211 S212 | S204-E208 WeakPolarHBondContact O-CB 3.2Å; S204-E208 PolarHBondContact O-N 2.92Å; E208-E210 VanDerWaalsContact C-N 3.33Å; E208-E210 PolarHBondContact O-N 3Å; E208-K211 PolarHBondContact O-N 3.37Å; E208-K211 IonicContact OE1-NZ 3.05Å; E208-K211 WeakPolarHBondContact OE2-CD 3.32Å; E208-K211 IonicContact OE2-NZ 3.75Å; E208-K211 PolarHBondContact OE2-NZ 2.92Å; E208-S212 WeakPolarHBondContact O-CB 3.41Å; E208-S212 PolarHBondContact O-N 3.45Å |
| 209 | K | 98.3 | Very high | 97.9 | Very high | 156 Ų | 156 | 96 Ų | 96 | 68% | 0.678 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.4 | -46.6 | 169.7 | -177.3 | 176.6 | 178.3 | 179.7 | 0 | 111.2 | L205 S212 R213 | L205-K209 WeakPolarHBondContact O-CB 3.41Å; L205-K209 PolarHBondContact O-N 3.48Å; K209-S212 PolarHBondContact O-N 3.32Å; K209-S212 PolarHBondContact O-OG 3.35Å; K209-R213 PolarHBondContact O-N 3Å; K209-R213 VanDerWaalsContact O-N 3.15Å |
| 210 | E | 97.5 | Very high | 97.9 | Very high | 78 Ų | 78 | 97.7 Ų | 97.7 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72 | -37.7 | -178.8 | -168 | 57.7 | -161.8 | 0 | 0 | 112.8 | K206 L207 E208 S212 R213 V214 | K206-E210 PolarHBondContact O-N 2.97Å; K206-E210 VanDerWaalsContact O-N 3.08Å; L207-E210 PolarHBondContact O-N 3.11Å; E208-E210 VanDerWaalsContact C-N 3.33Å; E208-E210 PolarHBondContact O-N 3Å; E210-S212 VanDerWaalsContact C-N 3.31Å; E210-S212 PolarHBondContact O-N 2.94Å; E210-R213 VanDerWaalsContact CD-NE 3.3Å; E210-R213 CarbonylContact O-C 3.54Å; E210-R213 WeakPolarHBondContact O-CA 3.34Å; E210-R213 WeakPolarHBondContact O-CB 3.33Å; E210-R213 PolarHBondContact O-N 2.82Å; E210-R213 IonicContact OE1-CZ 2.71Å; E210-R213 IonicContact OE1-NE 2.74Å; E210-R213 PolarHBondContact OE1-NE 3.49Å; E210-R213 IonicContact OE1-NH2 3.74Å; E210-R213 PolarHBondContact OE1-NH2 3.04Å; E210-R213 IonicContact OE2-CZ 3.21Å; E210-R213 IonicContact OE2-NE 3.21Å; E210-R213 PolarHBondContact OE2-NE 2.78Å; E210-V214 WeakPolarHBondContact O-CG2 3.35Å; E210-V214 PolarHBondContact O-N 3.25Å |
| 211 | K | 97.9 | Very high | 97.8 | Very high | 103 Ų | 103 | 98.9 Ų | 98.9 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -54.6 | -46.5 | 168.4 | -72.5 | 177.8 | -169.3 | 165.2 | 0 | 111.6 | L207 E208 R213 V214 S215 | L207-K211 HydrophobicContact CD1-CG 4.47Å; L207-K211 WeakPolarHBondContact O-CG 3.23Å; L207-K211 PolarHBondContact O-N 3.38Å; E208-K211 PolarHBondContact O-N 3.37Å; E208-K211 IonicContact OE1-NZ 3.05Å; E208-K211 WeakPolarHBondContact OE2-CD 3.32Å; E208-K211 IonicContact OE2-NZ 3.75Å; E208-K211 PolarHBondContact OE2-NZ 2.92Å; K211-R213 PolarHBondContact O-N 3.2Å; K211-V214 PolarHBondContact O-N 2.92Å; K211-S215 WeakPolarHBondContact O-CB 3.35Å; K211-S215 PolarHBondContact O-N 3.15Å |
| 212 | S | 98 | Very high | 97.8 | Very high | 58 Ų | 58 | 99.4 Ų | 99.4 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -22.5 | 178.1 | 82.8 | 0 | 0 | 0 | 0 | 113.1 | E208 K209 E210 K216 | E208-S212 WeakPolarHBondContact O-CB 3.41Å; E208-S212 PolarHBondContact O-N 3.45Å; K209-S212 PolarHBondContact O-N 3.32Å; K209-S212 PolarHBondContact O-OG 3.35Å; E210-S212 VanDerWaalsContact C-N 3.31Å; E210-S212 PolarHBondContact O-N 2.94Å; S212-K216 WeakPolarHBondContact O-CD 3.29Å; S212-K216 VanDerWaalsContact O-CG 3.3Å; S212-K216 WeakPolarHBondContact O-CG 3.48Å |
| 213 | R | 98 | Very high | 97.8 | Very high | 125 Ų | 125 | 97.5 Ų | 97.5 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -84.3 | -41.6 | 175.7 | -155.4 | -174.2 | 72.1 | 77.7 | 8.8 | 111.5 | K209 E210 K211 K216 L217 | K209-R213 PolarHBondContact O-N 3Å; K209-R213 VanDerWaalsContact O-N 3.15Å; E210-R213 VanDerWaalsContact CD-NE 3.3Å; E210-R213 CarbonylContact O-C 3.54Å; E210-R213 WeakPolarHBondContact O-CA 3.34Å; E210-R213 WeakPolarHBondContact O-CB 3.33Å; E210-R213 PolarHBondContact O-N 2.82Å; E210-R213 IonicContact OE1-CZ 2.71Å; E210-R213 IonicContact OE1-NE 2.74Å; E210-R213 PolarHBondContact OE1-NE 3.49Å; E210-R213 IonicContact OE1-NH2 3.74Å; E210-R213 PolarHBondContact OE1-NH2 3.04Å; E210-R213 IonicContact OE2-CZ 3.21Å; E210-R213 IonicContact OE2-NE 3.21Å; E210-R213 PolarHBondContact OE2-NE 2.78Å; K211-R213 PolarHBondContact O-N 3.2Å; R213-K216 PolarHBondContact O-N 2.91Å; R213-L217 WeakPolarHBondContact O-CG 3.46Å; R213-L217 PolarHBondContact O-N 3.46Å; R213-L217 VanDerWaalsContact O-N 3.12Å |
| 214 | V | 97.7 | Very high | 97.7 | Very high | 59 Ų | 59 | 96.9 Ų | 96.9 | 36% | 0.358 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.8 | -48.9 | 172.4 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | E210 K211 K216 L217 E218 | E210-V214 WeakPolarHBondContact O-CG2 3.35Å; E210-V214 PolarHBondContact O-N 3.25Å; K211-V214 PolarHBondContact O-N 2.92Å; V214-K216 VanDerWaalsContact C-N 3.27Å; V214-K216 PolarHBondContact O-N 3.42Å; V214-L217 CarbonylContact O-C 3.51Å; V214-L217 PolarHBondContact O-N 3.38Å; V214-E218 HydrophobicContact CG1-CG 4.22Å; V214-E218 WeakPolarHBondContact O-CG 3.49Å; V214-E218 PolarHBondContact O-N 2.78Å |
| 215 | S | 97.5 | Very high | 97.7 | Very high | 70 Ų | 70 | 101.1 Ų | 101.1 | 49% | 0.49 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.3 | -36.2 | 179.2 | 173.1 | 0 | 0 | 0 | 0 | 113.1 | K211 E218 E219 | K211-S215 WeakPolarHBondContact O-CB 3.35Å; K211-S215 PolarHBondContact O-N 3.15Å; S215-E218 PolarHBondContact O-N 2.82Å; S215-E219 PolarHBondContact O-N 2.93Å |
| 216 | K | 98.1 | Very high | 97.6 | Very high | 123 Ų | 123 | 102.1 Ų | 102.1 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68 | -44.2 | 173.2 | -72.8 | 171.9 | -176.8 | -177.1 | 0 | 112.3 | S212 R213 V214 E218 E219 E220 | S212-K216 WeakPolarHBondContact O-CD 3.29Å; S212-K216 VanDerWaalsContact O-CG 3.3Å; S212-K216 WeakPolarHBondContact O-CG 3.48Å; R213-K216 PolarHBondContact O-N 2.91Å; V214-K216 VanDerWaalsContact C-N 3.27Å; V214-K216 PolarHBondContact O-N 3.42Å; K216-E218 VanDerWaalsContact C-N 3.28Å; K216-E218 PolarHBondContact O-N 2.92Å; K216-E219 PolarHBondContact O-N 3.16Å; K216-E220 WeakPolarHBondContact O-CB 3.27Å; K216-E220 VanDerWaalsContact O-CG 3.32Å; K216-E220 WeakPolarHBondContact O-CG 3.35Å; K216-E220 PolarHBondContact O-N 2.82Å |
| 217 | L | 97.9 | Very high | 97.6 | Very high | 79 Ų | 79 | 102.5 Ų | 102.5 | 41% | 0.414 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -32.6 | 175.6 | -68.8 | 172.7 | 0 | 0 | 0 | 112.3 | R213 V214 L221 | R213-L217 WeakPolarHBondContact O-CG 3.46Å; R213-L217 PolarHBondContact O-N 3.46Å; R213-L217 VanDerWaalsContact O-N 3.12Å; V214-L217 CarbonylContact O-C 3.51Å; V214-L217 PolarHBondContact O-N 3.38Å; L217-L221 WeakPolarHBondContact O-CB 3.24Å; L217-L221 PolarHBondContact O-N 3.36Å |
| 218 | E | 97.4 | Very high | 97.6 | Very high | 125 Ų | 125 | 99.1 Ų | 99.1 | 58% | 0.584 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.3 | -40.5 | 172.9 | -72.2 | 178.6 | 146.9 | 0 | 0 | 112 | V214 S215 K216 A222 | V214-E218 HydrophobicContact CG1-CG 4.22Å; V214-E218 WeakPolarHBondContact O-CG 3.49Å; V214-E218 PolarHBondContact O-N 2.78Å; S215-E218 PolarHBondContact O-N 2.82Å; K216-E218 VanDerWaalsContact C-N 3.28Å; K216-E218 PolarHBondContact O-N 2.92Å; E218-A222 VanDerWaalsContact O-CB 3.25Å; E218-A222 WeakPolarHBondContact O-CB 3.23Å; E218-A222 PolarHBondContact O-N 3.17Å |
| 219 | E | 97.5 | Very high | 97.5 | Very high | 143 Ų | 143 | 99.7 Ų | 99.7 | 67% | 0.668 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.1 | -47.4 | 173.4 | -175.4 | 176 | -167.8 | 0 | 0 | 111.8 | S215 K216 L221 A222 A223 | S215-E219 PolarHBondContact O-N 2.93Å; K216-E219 PolarHBondContact O-N 3.16Å; E219-L221 PolarHBondContact O-N 3.4Å; E219-A222 PolarHBondContact O-N 3.35Å; E219-A223 WeakPolarHBondContact O-CB 3.19Å; E219-A223 PolarHBondContact O-N 3.36Å |
| 220 | E | 97.6 | Very high | 97.5 | Very high | 119 Ų | 119 | 98.4 Ų | 98.4 | 56% | 0.556 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59 | -44.2 | 175.2 | -73.3 | 169.3 | -158.5 | 0 | 0 | 111.6 | K216 A223 E224 | K216-E220 WeakPolarHBondContact O-CB 3.27Å; K216-E220 VanDerWaalsContact O-CG 3.32Å; K216-E220 WeakPolarHBondContact O-CG 3.35Å; K216-E220 PolarHBondContact O-N 2.82Å; E220-A223 PolarHBondContact O-N 2.84Å; E220-E224 PolarHBondContact O-N 3.37Å |
| 221 | L | 97.4 | Very high | 97.4 | Very high | 83 Ų | 83 | 98.7 Ų | 98.7 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.6 | -34.1 | 177.6 | -178.3 | 62.4 | 0 | 0 | 0 | 112.6 | L217 E219 R225 | L217-L221 WeakPolarHBondContact O-CB 3.24Å; L217-L221 PolarHBondContact O-N 3.36Å; E219-L221 PolarHBondContact O-N 3.4Å; L221-R225 WeakPolarHBondContact O-CB 3.47Å; L221-R225 VanDerWaalsContact O-CG 3.32Å; L221-R225 WeakPolarHBondContact O-CG 3.41Å; L221-R225 PolarHBondContact O-N 2.94Å |
| 222 | A | 97.5 | Very high | 97.3 | Very high | 53 Ų | 53 | 99.7 Ų | 99.7 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E218 E219 R225 K226 | E218-A222 VanDerWaalsContact O-CB 3.25Å; E218-A222 WeakPolarHBondContact O-CB 3.23Å; E218-A222 PolarHBondContact O-N 3.17Å; E219-A222 PolarHBondContact O-N 3.35Å; A222-R225 PolarHBondContact O-N 2.97Å; A222-K226 WeakPolarHBondContact O-CB 3.32Å; A222-K226 PolarHBondContact O-N 3.15Å |
| 223 | A | 97.6 | Very high | 97.2 | Very high | 41 Ų | 41 | 99.4 Ų | 99.4 | 34% | 0.339 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E219 E220 K226 R227 | E219-A223 WeakPolarHBondContact O-CB 3.19Å; E219-A223 PolarHBondContact O-N 3.36Å; E220-A223 PolarHBondContact O-N 2.84Å; A223-K226 PolarHBondContact O-N 2.85Å; A223-R227 PolarHBondContact O-N 3.09Å |
| 224 | E | 96.3 | Very high | 97.2 | Very high | 97 Ų | 97 | 99.3 Ų | 99.3 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 176.2 | -165 | 67.2 | -85.7 | 0 | 0 | 112.3 | E220 K226 R227 G228 | E220-E224 PolarHBondContact O-N 3.37Å; E224-K226 VanDerWaalsContact C-N 3.26Å; E224-K226 PolarHBondContact O-N 3.21Å; E224-R227 WeakPolarHBondContact O-CB 3.49Å; E224-R227 PolarHBondContact O-N 3.21Å; E224-R227 VanDerWaalsContact O-N 3.11Å; E224-R227 IonicContact OE1-CZ 3.09Å; E224-R227 IonicContact OE1-NE 3.37Å; E224-R227 PolarHBondContact OE1-NE 3.17Å; E224-R227 IonicContact OE1-NH2 2.66Å; E224-R227 PolarHBondContact OE1-NH2 2.89Å; E224-R227 IonicContact OE2-CZ 2.72Å; E224-R227 IonicContact OE2-NE 3.63Å; E224-R227 IonicContact OE2-NH2 3.73Å; E224-R227 PolarHBondContact OE2-NH2 2.9Å; E224-G228 PolarHBondContact O-N 3.32Å |
| 225 | R | 97.4 | Very high | 97.1 | Very high | 159 Ų | 159 | 100.7 Ų | 100.7 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.1 | -40.6 | 172.9 | -76.3 | 173.2 | 178.6 | 137.4 | -1.7 | 112 | L221 A222 G228 L229 | L221-R225 WeakPolarHBondContact O-CB 3.47Å; L221-R225 VanDerWaalsContact O-CG 3.32Å; L221-R225 WeakPolarHBondContact O-CG 3.41Å; L221-R225 PolarHBondContact O-N 2.94Å; A222-R225 PolarHBondContact O-N 2.97Å; R225-G228 PolarHBondContact O-N 3.09Å; R225-L229 WeakPolarHBondContact O-CG 3.33Å; R225-L229 PolarHBondContact O-N 3.12Å |
| 226 | K | 97.4 | Very high | 97.1 | Very high | 152 Ų | 152 | 103.9 Ų | 103.9 | 66% | 0.661 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.8 | -39.5 | 175.9 | -174.3 | 179.2 | 176.8 | -177.2 | 0 | 112.2 | A222 A223 E224 Q230 | A222-K226 WeakPolarHBondContact O-CB 3.32Å; A222-K226 PolarHBondContact O-N 3.15Å; A223-K226 PolarHBondContact O-N 2.85Å; E224-K226 VanDerWaalsContact C-N 3.26Å; E224-K226 PolarHBondContact O-N 3.21Å; K226-Q230 WeakPolarHBondContact O-CB 3.31Å; K226-Q230 PolarHBondContact O-N 3.42Å; K226-Q230 VanDerWaalsContact O-N 3.11Å |
| 227 | R | 97.1 | Very high | 97.1 | Very high | 125 Ų | 125 | 103.4 Ų | 103.4 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 172.4 | -73.5 | -169.4 | -67.9 | -105.4 | 8.2 | 111.4 | A223 E224 Q230 T231 | A223-R227 PolarHBondContact O-N 3.09Å; E224-R227 WeakPolarHBondContact O-CB 3.49Å; E224-R227 PolarHBondContact O-N 3.21Å; E224-R227 VanDerWaalsContact O-N 3.11Å; E224-R227 IonicContact OE1-CZ 3.09Å; E224-R227 IonicContact OE1-NE 3.37Å; E224-R227 PolarHBondContact OE1-NE 3.17Å; E224-R227 IonicContact OE1-NH2 2.66Å; E224-R227 PolarHBondContact OE1-NH2 2.89Å; E224-R227 IonicContact OE2-CZ 2.72Å; E224-R227 IonicContact OE2-NE 3.63Å; E224-R227 IonicContact OE2-NH2 3.73Å; E224-R227 PolarHBondContact OE2-NH2 2.9Å; R227-Q230 WeakPolarHBondContact O-CB 3.46Å; R227-Q230 PolarHBondContact O-N 3.39Å; R227-Q230 VanDerWaalsContact O-N 3.14Å; R227-T231 PolarHBondContact O-N 3.41Å; R227-T231 PolarHBondContact O-OG1 2.51Å |
| 228 | G | 96.8 | Very high | 97.1 | Very high | 31 Ų | 31 | 104.1 Ų | 104.1 | 32% | 0.32 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -53.7 | -55.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E224 R225 Q230 T231 E232 | E224-G228 PolarHBondContact O-N 3.32Å; R225-G228 PolarHBondContact O-N 3.09Å; G228-Q230 VanDerWaalsContact C-N 3.27Å; G228-Q230 PolarHBondContact O-N 3.37Å; G228-T231 PolarHBondContact O-N 2.87Å; G228-T231 VanDerWaalsContact O-N 3.1Å; G228-T231 PolarHBondContact O-OG1 2.99Å; G228-E232 WeakPolarHBondContact O-CB 3.18Å; G228-E232 PolarHBondContact O-N 3.27Å |
| 229 | L | 97.3 | Very high | 97 | Very high | 114 Ų | 114 | 103 Ų | 103 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.3 | -36.6 | 176.7 | -70.5 | 168.9 | 0 | 0 | 0 | 112.9 | R225 A233 | R225-L229 WeakPolarHBondContact O-CG 3.33Å; R225-L229 PolarHBondContact O-N 3.12Å; L229-A233 WeakPolarHBondContact O-CB 3.46Å; L229-A233 PolarHBondContact O-N 3.41Å |
| 230 | Q | 96.9 | Very high | 97 | Very high | 130 Ų | 130 | 98.9 Ų | 98.9 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67 | -42.7 | 175.6 | -178 | 179.3 | -4.3 | 0 | 0 | 111.9 | K226 R227 G228 Q234 | K226-Q230 WeakPolarHBondContact O-CB 3.31Å; K226-Q230 PolarHBondContact O-N 3.42Å; K226-Q230 VanDerWaalsContact O-N 3.11Å; R227-Q230 WeakPolarHBondContact O-CB 3.46Å; R227-Q230 PolarHBondContact O-N 3.39Å; R227-Q230 VanDerWaalsContact O-N 3.14Å; G228-Q230 VanDerWaalsContact C-N 3.27Å; G228-Q230 PolarHBondContact O-N 3.37Å; Q230-Q234 WeakPolarHBondContact O-CB 3.36Å; Q230-Q234 PolarHBondContact O-N 3.01Å; Q230-Q234 VanDerWaalsContact O-N 3.11Å |
| 231 | T | 96.4 | Very high | 97 | Very high | 83 Ų | 83 | 96.3 Ų | 96.3 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70 | -36.1 | 176.8 | 50 | 0 | 0 | 0 | 0 | 112.6 | R227 G228 Q234 V235 | R227-T231 PolarHBondContact O-N 3.41Å; R227-T231 PolarHBondContact O-OG1 2.51Å; G228-T231 PolarHBondContact O-N 2.87Å; G228-T231 VanDerWaalsContact O-N 3.1Å; G228-T231 PolarHBondContact O-OG1 2.99Å; T231-Q234 PolarHBondContact O-N 3.24Å; T231-V235 WeakPolarHBondContact O-CG2 3.12Å; T231-V235 PolarHBondContact O-N 3.27Å |
| 232 | E | 95.7 | Very high | 96.9 | Very high | 124 Ų | 124 | 98.1 Ų | 98.1 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -52.3 | 175.3 | -176.2 | 171 | -154.8 | 0 | 0 | 110.7 | G228 Q234 V235 E236 | G228-E232 WeakPolarHBondContact O-CB 3.18Å; G228-E232 PolarHBondContact O-N 3.27Å; E232-Q234 VanDerWaalsContact C-N 3.27Å; E232-Q234 PolarHBondContact O-N 3.04Å; E232-V235 PolarHBondContact O-N 2.95Å; E232-V235 VanDerWaalsContact O-N 3.11Å; E232-E236 PolarHBondContact O-N 3.29Å |
| 233 | A | 96.7 | Very high | 97 | Very high | 53 Ų | 53 | 99 Ų | 99 | 44% | 0.438 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -31.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L229 K237 | L229-A233 WeakPolarHBondContact O-CB 3.46Å; L229-A233 PolarHBondContact O-N 3.41Å; A233-K237 VanDerWaalsContact O-CB 3.3Å; A233-K237 WeakPolarHBondContact O-CB 3.4Å; A233-K237 PolarHBondContact O-N 2.89Å |
| 234 | Q | 96.1 | Very high | 96.9 | Very high | 123 Ų | 123 | 101.8 Ų | 101.8 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.9 | -40.2 | 174 | -177.3 | 175.8 | -9.3 | 0 | 0 | 112 | Q230 T231 E232 Q238 | Q230-Q234 WeakPolarHBondContact O-CB 3.36Å; Q230-Q234 PolarHBondContact O-N 3.01Å; Q230-Q234 VanDerWaalsContact O-N 3.11Å; T231-Q234 PolarHBondContact O-N 3.24Å; E232-Q234 VanDerWaalsContact C-N 3.27Å; E232-Q234 PolarHBondContact O-N 3.04Å; Q234-Q238 VanDerWaalsContact O-CG 3.32Å; Q234-Q238 WeakPolarHBondContact O-CG 3.35Å; Q234-Q238 PolarHBondContact O-N 3.39Å; Q234-Q238 VanDerWaalsContact O-N 3.13Å |
| 235 | V | 97.6 | Very high | 96.9 | Very high | 88 Ų | 88 | 102.2 Ų | 102.2 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.2 | -41.9 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | T231 E232 K237 Q238 L239 | T231-V235 WeakPolarHBondContact O-CG2 3.12Å; T231-V235 PolarHBondContact O-N 3.27Å; E232-V235 PolarHBondContact O-N 2.95Å; E232-V235 VanDerWaalsContact O-N 3.11Å; V235-K237 VanDerWaalsContact C-N 3.34Å; V235-K237 PolarHBondContact O-N 2.74Å; V235-Q238 PolarHBondContact O-N 2.92Å; V235-L239 HydrophobicContact CG1-CD1 4Å; V235-L239 HydrophobicContact CG1-CG 4.42Å; V235-L239 WeakPolarHBondContact O-CG 3.36Å; V235-L239 PolarHBondContact O-N 2.95Å |
| 236 | E | 96.2 | Very high | 96.9 | Very high | 137 Ų | 137 | 99.5 Ų | 99.5 | 64% | 0.64 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.1 | -44.6 | 174.3 | -174.6 | 179.3 | -151.2 | 0 | 0 | 111.4 | E232 Q238 L239 S240 | E232-E236 PolarHBondContact O-N 3.29Å; E236-Q238 PolarHBondContact O-N 2.95Å; E236-L239 PolarHBondContact O-N 3.01Å; E236-S240 PolarHBondContact O-N 3.47Å |
| 237 | K | 97.8 | Very high | 96.8 | Very high | 112 Ų | 112 | 96.9 Ų | 96.9 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.8 | -50 | 173.5 | -178.8 | -179.9 | 172.8 | -68.6 | 0 | 111.5 | A233 V235 L239 S240 E241 | A233-K237 VanDerWaalsContact O-CB 3.3Å; A233-K237 WeakPolarHBondContact O-CB 3.4Å; A233-K237 PolarHBondContact O-N 2.89Å; V235-K237 VanDerWaalsContact C-N 3.34Å; V235-K237 PolarHBondContact O-N 2.74Å; K237-L239 VanDerWaalsContact C-N 3.35Å; K237-L239 PolarHBondContact O-N 3.35Å; K237-S240 PolarHBondContact O-N 3.24Å; K237-S240 VanDerWaalsContact O-N 3.17Å; K237-S240 PolarHBondContact O-OG 3.2Å; K237-E241 IonicContact NZ-OE1 2.73Å; K237-E241 PolarHBondContact NZ-OE1 3.48Å; K237-E241 IonicContact NZ-OE2 3.55Å; K237-E241 PolarHBondContact NZ-OE2 3.41Å; K237-E241 WeakPolarHBondContact O-CG 3.48Å; K237-E241 PolarHBondContact O-N 3.07Å |
| 238 | Q | 97.8 | Very high | 96.8 | Very high | 94 Ų | 94 | 95.8 Ų | 95.8 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | 178.9 | -71.1 | -87.6 | -96.5 | 0 | 0 | 112.5 | Q234 V235 E236 E241 F242 | Q234-Q238 VanDerWaalsContact O-CG 3.32Å; Q234-Q238 WeakPolarHBondContact O-CG 3.35Å; Q234-Q238 PolarHBondContact O-N 3.39Å; Q234-Q238 VanDerWaalsContact O-N 3.13Å; V235-Q238 PolarHBondContact O-N 2.92Å; E236-Q238 PolarHBondContact O-N 2.95Å; Q238-E241 PolarHBondContact NE2-OE2 3.34Å; Q238-E241 PolarHBondContact O-N 3.3Å; Q238-F242 WeakPolarHBondContact O-CD2 3.48Å; Q238-F242 PolarHBondContact O-N 3.45Å |
| 239 | L | 97.1 | Very high | 96.8 | Very high | 102 Ų | 102 | 99.5 Ų | 99.5 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 172.9 | -74.3 | 167.4 | 0 | 0 | 0 | 111.4 | V235 E236 K237 E241 F242 D243 | V235-L239 HydrophobicContact CG1-CD1 4Å; V235-L239 HydrophobicContact CG1-CG 4.42Å; V235-L239 WeakPolarHBondContact O-CG 3.36Å; V235-L239 PolarHBondContact O-N 2.95Å; E236-L239 PolarHBondContact O-N 3.01Å; K237-L239 VanDerWaalsContact C-N 3.35Å; K237-L239 PolarHBondContact O-N 3.35Å; L239-E241 VanDerWaalsContact C-N 3.3Å; L239-E241 PolarHBondContact O-N 3.49Å; L239-F242 PolarHBondContact O-N 2.91Å; L239-D243 WeakPolarHBondContact O-CB 3.26Å; L239-D243 PolarHBondContact O-N 2.74Å |
| 240 | S | 96.6 | Very high | 96.7 | Very high | 57 Ų | 57 | 99.8 Ų | 99.8 | 40% | 0.399 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 175.7 | 79 | 0 | 0 | 0 | 0 | 112.7 | E236 K237 D243 I244 | E236-S240 PolarHBondContact O-N 3.47Å; K237-S240 PolarHBondContact O-N 3.24Å; K237-S240 VanDerWaalsContact O-N 3.17Å; K237-S240 PolarHBondContact O-OG 3.2Å; S240-D243 PolarHBondContact O-N 3.13Å; S240-I244 WeakPolarHBondContact O-CB 3.31Å; S240-I244 WeakPolarHBondContact O-CD1 3.46Å; S240-I244 VanDerWaalsContact O-CG1 3.23Å; S240-I244 WeakPolarHBondContact O-CG1 3.34Å; S240-I244 PolarHBondContact O-N 3Å |
| 241 | E | 96.6 | Very high | 96.7 | Very high | 65 Ų | 65 | 95.3 Ų | 95.3 | 30% | 0.304 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.4 | -48.1 | 175.6 | -70.8 | 170.8 | 137.7 | 0 | 0 | 110.8 | K237 Q238 L239 D243 I244 E245 | K237-E241 IonicContact NZ-OE1 2.73Å; K237-E241 PolarHBondContact NZ-OE1 3.48Å; K237-E241 IonicContact NZ-OE2 3.55Å; K237-E241 PolarHBondContact NZ-OE2 3.41Å; K237-E241 WeakPolarHBondContact O-CG 3.48Å; K237-E241 PolarHBondContact O-N 3.07Å; Q238-E241 PolarHBondContact NE2-OE2 3.34Å; Q238-E241 PolarHBondContact O-N 3.3Å; L239-E241 VanDerWaalsContact C-N 3.3Å; L239-E241 PolarHBondContact O-N 3.49Å; E241-D243 VanDerWaalsContact C-N 3.34Å; E241-D243 PolarHBondContact O-N 3.3Å; E241-I244 PolarHBondContact O-N 2.96Å; E241-E245 WeakPolarHBondContact O-CG 3.5Å; E241-E245 PolarHBondContact O-N 3.45Å |
| 242 | F | 97.2 | Very high | 96.6 | Very high | 121 Ų | 121 | 96.8 Ų | 96.8 | 53% | 0.531 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -35.6 | 174 | -73.1 | -56.4 | 0 | 0 | 0 | 113.4 | Q238 L239 E245 R246 | Q238-F242 WeakPolarHBondContact O-CD2 3.48Å; Q238-F242 PolarHBondContact O-N 3.45Å; L239-F242 PolarHBondContact O-N 2.91Å; F242-E245 PolarHBondContact O-N 3.27Å; F242-R246 WeakPolarHBondContact O-CB 3.37Å; F242-R246 PolarHBondContact O-N 3.36Å |
| 243 | D | 97.8 | Very high | 96.6 | Very high | 71 Ų | 71 | 95.7 Ų | 95.7 | 38% | 0.38 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 176.5 | -93.7 | 34.4 | 0 | 0 | 0 | 111.7 | L239 S240 E241 R246 E247 | L239-D243 WeakPolarHBondContact O-CB 3.26Å; L239-D243 PolarHBondContact O-N 2.74Å; S240-D243 PolarHBondContact O-N 3.13Å; E241-D243 VanDerWaalsContact C-N 3.34Å; E241-D243 PolarHBondContact O-N 3.3Å; D243-R246 IonicContact OD1-CZ 3.63Å; D243-R246 IonicContact OD1-NH1 3.2Å; D243-R246 PolarHBondContact OD1-NH1 3.04Å; D243-R246 IonicContact OD1-NH2 3.8Å; D243-R246 PolarHBondContact OD1-NH2 3.11Å; D243-R246 VanDerWaalsContact OD1-NH2 3.09Å; D243-R246 IonicContact OD2-CZ 2.92Å; D243-R246 IonicContact OD2-NH1 3.64Å; D243-R246 IonicContact OD2-NH2 2.7Å; D243-R246 PolarHBondContact OD2-NH2 3.07Å; D243-E247 WeakPolarHBondContact O-CB 3.08Å; D243-E247 PolarHBondContact O-N 3.27Å |
| 244 | I | 97.1 | Very high | 96.4 | Very high | 99 Ų | 99 | 97.3 Ų | 97.3 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 172.8 | -71.3 | 164.1 | 0 | 0 | 0 | 110.8 | S240 E241 E247 Q248 | S240-I244 WeakPolarHBondContact O-CB 3.31Å; S240-I244 WeakPolarHBondContact O-CD1 3.46Å; S240-I244 VanDerWaalsContact O-CG1 3.23Å; S240-I244 WeakPolarHBondContact O-CG1 3.34Å; S240-I244 PolarHBondContact O-N 3Å; E241-I244 PolarHBondContact O-N 2.96Å; I244-E247 PolarHBondContact O-N 2.78Å; I244-Q248 WeakPolarHBondContact O-CG 3.39Å; I244-Q248 PolarHBondContact O-N 3.05Å |
| 245 | E | 96.3 | Very high | 96.3 | Very high | 107 Ų | 107 | 98.5 Ų | 98.5 | 50% | 0.5 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 177.2 | -75.5 | -176.4 | -179.1 | 0 | 0 | 112.1 | E241 F242 E247 Q248 L249 | E241-E245 WeakPolarHBondContact O-CG 3.5Å; E241-E245 PolarHBondContact O-N 3.45Å; F242-E245 PolarHBondContact O-N 3.27Å; E245-E247 VanDerWaalsContact C-N 3.32Å; E245-E247 PolarHBondContact O-N 3Å; E245-Q248 WeakPolarHBondContact O-CB 3.47Å; E245-Q248 PolarHBondContact O-N 3.36Å; E245-L249 WeakPolarHBondContact O-CB 3.25Å; E245-L249 WeakPolarHBondContact O-CG 3.47Å; E245-L249 PolarHBondContact O-N 3.45Å |
| 246 | R | 96 | Very high | 96 | Very high | 102 Ų | 102 | 99 Ų | 99 | 39% | 0.385 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 176.3 | -175.9 | -175.4 | 67.3 | -132.7 | -5.4 | 111.6 | F242 D243 L249 R250 | F242-R246 WeakPolarHBondContact O-CB 3.37Å; F242-R246 PolarHBondContact O-N 3.36Å; D243-R246 IonicContact OD1-CZ 3.63Å; D243-R246 IonicContact OD1-NH1 3.2Å; D243-R246 PolarHBondContact OD1-NH1 3.04Å; D243-R246 IonicContact OD1-NH2 3.8Å; D243-R246 PolarHBondContact OD1-NH2 3.11Å; D243-R246 VanDerWaalsContact OD1-NH2 3.09Å; D243-R246 IonicContact OD2-CZ 2.92Å; D243-R246 IonicContact OD2-NH1 3.64Å; D243-R246 IonicContact OD2-NH2 2.7Å; D243-R246 PolarHBondContact OD2-NH2 3.07Å; R246-L249 PolarHBondContact O-N 3.35Å; R246-R250 WeakPolarHBondContact O-CG 3.4Å; R246-R250 PolarHBondContact O-N 3.45Å |
| 247 | E | 96 | Very high | 95.8 | Very high | 97 Ų | 97 | 97.5 Ų | 97.5 | 45% | 0.453 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -73.8 | -34.9 | 178.2 | -156.8 | 55.5 | -128.6 | 0 | 0 | 112.3 | D243 I244 E245 L249 R250 A251 | D243-E247 WeakPolarHBondContact O-CB 3.08Å; D243-E247 PolarHBondContact O-N 3.27Å; I244-E247 PolarHBondContact O-N 2.78Å; E245-E247 VanDerWaalsContact C-N 3.32Å; E245-E247 PolarHBondContact O-N 3Å; E247-L249 VanDerWaalsContact C-N 3.31Å; E247-L249 PolarHBondContact O-N 3.05Å; E247-R250 PolarHBondContact O-N 2.68Å; E247-R250 WeakPolarHBondContact OE2-CD 3.44Å; E247-R250 IonicContact OE2-CZ 3.7Å; E247-R250 IonicContact OE2-NE 2.59Å; E247-R250 IonicContact OE2-NH1 2.61Å; E247-R250 PolarHBondContact OE2-NH1 3.47Å; E247-A251 VanDerWaalsContact O-CB 3.3Å; E247-A251 WeakPolarHBondContact O-CB 3.33Å; E247-A251 PolarHBondContact O-N 3.04Å |
| 248 | Q | 96.6 | Very high | 95.5 | Very high | 102 Ų | 102 | 96 Ų | 96 | 48% | 0.477 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.4 | -40.1 | 168 | -72.7 | -178.2 | 36.9 | 0 | 0 | 112 | I244 E245 A251 K252 | I244-Q248 WeakPolarHBondContact O-CG 3.39Å; I244-Q248 PolarHBondContact O-N 3.05Å; E245-Q248 WeakPolarHBondContact O-CB 3.47Å; E245-Q248 PolarHBondContact O-N 3.36Å; Q248-A251 PolarHBondContact O-N 2.78Å; Q248-K252 WeakPolarHBondContact O-CB 3.46Å; Q248-K252 VanDerWaalsContact O-CG 3.27Å; Q248-K252 WeakPolarHBondContact O-CG 3.5Å; Q248-K252 PolarHBondContact O-N 3.38Å |
| 249 | L | 96.2 | Very high | 95.3 | Very high | 108 Ų | 108 | 97.8 Ų | 97.8 | 57% | 0.565 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68.9 | -42.8 | 176.9 | -73.5 | 169.8 | 0 | 0 | 0 | 111.9 | E245 R246 E247 A251 K252 L253 | E245-L249 WeakPolarHBondContact O-CB 3.25Å; E245-L249 WeakPolarHBondContact O-CG 3.47Å; E245-L249 PolarHBondContact O-N 3.45Å; R246-L249 PolarHBondContact O-N 3.35Å; E247-L249 VanDerWaalsContact C-N 3.31Å; E247-L249 PolarHBondContact O-N 3.05Å; L249-A251 VanDerWaalsContact C-N 3.34Å; L249-A251 PolarHBondContact O-N 2.75Å; L249-K252 HydrophobicContact CD2-CD 4.4Å; L249-K252 PolarHBondContact O-N 3.2Å; L249-L253 WeakPolarHBondContact O-CB 3.24Å; L249-L253 PolarHBondContact O-N 2.91Å |
| 250 | R | 96 | Very high | 94.9 | Very high | 121 Ų | 121 | 96 Ų | 96 | 46% | 0.457 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.2 | -46.1 | 170.2 | -75.2 | 165.8 | 174 | 166.2 | -3.4 | 111.6 | R246 E247 K252 L253 N254 | R246-R250 WeakPolarHBondContact O-CG 3.4Å; R246-R250 PolarHBondContact O-N 3.45Å; E247-R250 PolarHBondContact O-N 2.68Å; E247-R250 WeakPolarHBondContact OE2-CD 3.44Å; E247-R250 IonicContact OE2-CZ 3.7Å; E247-R250 IonicContact OE2-NE 2.59Å; E247-R250 IonicContact OE2-NH1 2.61Å; E247-R250 PolarHBondContact OE2-NH1 3.47Å; R250-K252 VanDerWaalsContact C-N 3.31Å; R250-K252 PolarHBondContact O-N 3.34Å; R250-L253 PolarHBondContact O-N 3.23Å; R250-N254 VanDerWaalsContact O-CB 3.27Å; R250-N254 WeakPolarHBondContact O-CB 3.47Å; R250-N254 PolarHBondContact O-N 2.92Å |
| 251 | A | 96 | Very high | 94.6 | Very high | 35 Ų | 35 | 98.5 Ų | 98.5 | 29% | 0.289 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.7 | -28.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E247 Q248 L249 R255 | E247-A251 VanDerWaalsContact O-CB 3.3Å; E247-A251 WeakPolarHBondContact O-CB 3.33Å; E247-A251 PolarHBondContact O-N 3.04Å; Q248-A251 PolarHBondContact O-N 2.78Å; L249-A251 VanDerWaalsContact C-N 3.34Å; L249-A251 PolarHBondContact O-N 2.75Å; A251-R255 VanDerWaalsContact O-CG 3.27Å; A251-R255 WeakPolarHBondContact O-CG 3.36Å; A251-R255 PolarHBondContact O-N 3.07Å; A251-R255 PolarHBondContact O-NH1 2.88Å |
| 252 | K | 96.3 | Very high | 94.3 | Very high | 115 Ų | 115 | 98.6 Ų | 98.6 | 50% | 0.5 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71.3 | -48.2 | 170.6 | -75.8 | 164.8 | -177.4 | 169.9 | 0 | 110.8 | Q248 L249 R250 N254 R255 E256 | Q248-K252 WeakPolarHBondContact O-CB 3.46Å; Q248-K252 VanDerWaalsContact O-CG 3.27Å; Q248-K252 WeakPolarHBondContact O-CG 3.5Å; Q248-K252 PolarHBondContact O-N 3.38Å; L249-K252 HydrophobicContact CD2-CD 4.4Å; L249-K252 PolarHBondContact O-N 3.2Å; R250-K252 VanDerWaalsContact C-N 3.31Å; R250-K252 PolarHBondContact O-N 3.34Å; K252-N254 PolarHBondContact O-N 3.12Å; K252-R255 WeakPolarHBondContact O-CB 3.48Å; K252-R255 PolarHBondContact O-N 3.26Å; K252-E256 PolarHBondContact O-N 2.91Å; K252-E256 VanDerWaalsContact O-N 3.12Å |
| 253 | L | 94.4 | Very high | 93.9 | Very high | 100 Ų | 100 | 97.6 Ų | 97.6 | 52% | 0.524 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -56.3 | -52.1 | 176.9 | 178.6 | 62.5 | 0 | 0 | 0 | 111.3 | L249 R250 R255 E256 E257 | L249-L253 WeakPolarHBondContact O-CB 3.24Å; L249-L253 PolarHBondContact O-N 2.91Å; R250-L253 PolarHBondContact O-N 3.23Å; L253-R255 PolarHBondContact O-N 3.46Å; L253-E256 CarbonylContact O-C 3.59Å; L253-E256 WeakPolarHBondContact O-CA 3.28Å; L253-E256 PolarHBondContact O-N 3.42Å; L253-E257 HydrophobicContact CD1-CG 4.12Å; L253-E257 HydrophobicContact CG-CG 4.21Å; L253-E257 WeakPolarHBondContact O-CG 3.35Å; L253-E257 PolarHBondContact O-N 2.7Å |
| 254 | N | 93.3 | Very high | 93.5 | Very high | 88 Ų | 88 | 101 Ų | 101 | 47% | 0.471 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.1 | -33 | 179.1 | -168.2 | -19.1 | 0 | 0 | 0 | 112.1 | R250 K252 N258 | R250-N254 VanDerWaalsContact O-CB 3.27Å; R250-N254 WeakPolarHBondContact O-CB 3.47Å; R250-N254 PolarHBondContact O-N 2.92Å; K252-N254 PolarHBondContact O-N 3.12Å; N254-N258 WeakPolarHBondContact O-CB 3.38Å; N254-N258 PolarHBondContact O-N 3.48Å; N254-N258 PolarHBondContact O-ND2 3.43Å; N254-N258 PolarHBondContact OD1-ND2 2.88Å |
| 255 | R | 94 | Very high | 93.1 | Very high | 147 Ų | 147 | 100.5 Ų | 100.5 | 56% | 0.555 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -68.9 | -37.1 | 171.7 | -73.2 | 175.5 | -170.8 | 101.8 | -10.4 | 112.9 | A251 K252 L253 R259 | A251-R255 VanDerWaalsContact O-CG 3.27Å; A251-R255 WeakPolarHBondContact O-CG 3.36Å; A251-R255 PolarHBondContact O-N 3.07Å; A251-R255 PolarHBondContact O-NH1 2.88Å; K252-R255 WeakPolarHBondContact O-CB 3.48Å; K252-R255 PolarHBondContact O-N 3.26Å; L253-R255 PolarHBondContact O-N 3.46Å; R255-R259 WeakPolarHBondContact O-CG 3.48Å; R255-R259 PolarHBondContact O-N 3.32Å; R255-R259 PolarHBondContact O-NH1 2.73Å |
| 256 | E | 90.7 | Very high | 92.8 | Very high | 99 Ų | 99 | 100 Ų | 100 | 46% | 0.463 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -75.5 | -34.5 | 174.3 | -65.5 | -50.8 | 144.8 | 0 | 0 | 112.8 | K252 L253 R259 T260 | K252-E256 PolarHBondContact O-N 2.91Å; K252-E256 VanDerWaalsContact O-N 3.12Å; L253-E256 CarbonylContact O-C 3.59Å; L253-E256 WeakPolarHBondContact O-CA 3.28Å; L253-E256 PolarHBondContact O-N 3.42Å; E256-R259 PolarHBondContact O-N 3.41Å; E256-R259 IonicContact OE1-CZ 3.97Å; E256-R259 IonicContact OE1-NH1 3.98Å; E256-R259 PolarHBondContact OE1-NH1 3.04Å; E256-R259 IonicContact OE1-NH2 3.41Å; E256-R259 IonicContact OE2-NH1 2.64Å; E256-T260 VanDerWaalsContact O-CB 3.25Å; E256-T260 WeakPolarHBondContact O-CB 3.34Å; E256-T260 PolarHBondContact O-N 3.04Å; E256-T260 PolarHBondContact O-OG1 3.08Å |
| 257 | E | 92.6 | Very high | 92.3 | Very high | 106 Ų | 106 | 101.5 Ų | 101.5 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 172 | -70.9 | 175.7 | 142.7 | 0 | 0 | 110.9 | L253 T260 K261 | L253-E257 HydrophobicContact CD1-CG 4.12Å; L253-E257 HydrophobicContact CG-CG 4.21Å; L253-E257 WeakPolarHBondContact O-CG 3.35Å; L253-E257 PolarHBondContact O-N 2.7Å; E257-T260 CarbonylContact O-C 3.58Å; E257-T260 PolarHBondContact O-N 3.29Å; E257-K261 WeakPolarHBondContact O-CB 3.38Å; E257-K261 PolarHBondContact O-N 3.33Å |
| 258 | N | 92 | Very high | 91.9 | Very high | 79 Ų | 79 | 103.7 Ų | 103.7 | 42% | 0.422 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 173.4 | -78.6 | -60.3 | 0 | 0 | 0 | 112.7 | N254 T260 K261 T262 | N254-N258 WeakPolarHBondContact O-CB 3.38Å; N254-N258 PolarHBondContact O-N 3.48Å; N254-N258 PolarHBondContact O-ND2 3.43Å; N254-N258 PolarHBondContact OD1-ND2 2.88Å; N258-T260 VanDerWaalsContact C-N 3.3Å; N258-T260 PolarHBondContact O-N 3.33Å; N258-K261 WeakPolarHBondContact O-CB 3.45Å; N258-K261 PolarHBondContact O-N 3.07Å; N258-K261 VanDerWaalsContact O-N 3.15Å; N258-T262 PolarHBondContact O-N 3.47Å; N258-T262 PolarHBondContact O-OG1 3.11Å |
| 259 | R | 92.4 | Very high | 91.2 | Very high | 133 Ų | 133 | 101.7 Ų | 101.7 | 50% | 0.502 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 171.6 | -75.9 | -175.2 | -169.6 | 100.7 | -19.1 | 111.6 | R255 E256 K261 T262 L263 | R255-R259 WeakPolarHBondContact O-CG 3.48Å; R255-R259 PolarHBondContact O-N 3.32Å; R255-R259 PolarHBondContact O-NH1 2.73Å; E256-R259 PolarHBondContact O-N 3.41Å; E256-R259 IonicContact OE1-CZ 3.97Å; E256-R259 IonicContact OE1-NH1 3.98Å; E256-R259 PolarHBondContact OE1-NH1 3.04Å; E256-R259 IonicContact OE1-NH2 3.41Å; E256-R259 IonicContact OE2-NH1 2.64Å; R259-K261 VanDerWaalsContact C-N 3.29Å; R259-K261 PolarHBondContact O-N 3.02Å; R259-T262 PolarHBondContact O-N 3.44Å; R259-L263 WeakPolarHBondContact O-CB 3.47Å; R259-L263 VanDerWaalsContact O-CG 3.29Å; R259-L263 WeakPolarHBondContact O-CG 3.44Å; R259-L263 PolarHBondContact O-N 2.89Å |
| 260 | T | 88.5 | Confident | 90.7 | Very high | 65 Ų | 65 | 101.1 Ų | 101.1 | 40% | 0.399 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.7 | -33.7 | 176.9 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | E256 E257 N258 K264 | E256-T260 VanDerWaalsContact O-CB 3.25Å; E256-T260 WeakPolarHBondContact O-CB 3.34Å; E256-T260 PolarHBondContact O-N 3.04Å; E256-T260 PolarHBondContact O-OG1 3.08Å; E257-T260 CarbonylContact O-C 3.58Å; E257-T260 PolarHBondContact O-N 3.29Å; N258-T260 VanDerWaalsContact C-N 3.3Å; N258-T260 PolarHBondContact O-N 3.33Å; T260-K264 HydrophobicContact CG2-CD 4.35Å; T260-K264 WeakPolarHBondContact O-CB 3.33Å; T260-K264 WeakPolarHBondContact O-CD 3.47Å; T260-K264 WeakPolarHBondContact O-CG 3.35Å; T260-K264 PolarHBondContact O-N 3.18Å |
| 261 | K | 91.1 | Very high | 90.1 | Very high | 108 Ų | 108 | 102.3 Ų | 102.3 | 47% | 0.47 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.7 | -49.7 | 173.9 | -176.6 | 176.5 | 177 | -68.2 | 0 | 111.1 | E257 N258 R259 L263 K264 E265 | E257-K261 WeakPolarHBondContact O-CB 3.38Å; E257-K261 PolarHBondContact O-N 3.33Å; N258-K261 WeakPolarHBondContact O-CB 3.45Å; N258-K261 PolarHBondContact O-N 3.07Å; N258-K261 VanDerWaalsContact O-N 3.15Å; R259-K261 VanDerWaalsContact C-N 3.29Å; R259-K261 PolarHBondContact O-N 3.02Å; K261-L263 PolarHBondContact O-N 3.49Å; K261-K264 WeakPolarHBondContact O-CB 3.47Å; K261-K264 PolarHBondContact O-N 3.48Å; K261-K264 VanDerWaalsContact O-N 3.11Å; K261-E265 WeakPolarHBondContact CE-OE1 3.28Å; K261-E265 IonicContact NZ-OE1 3.47Å; K261-E265 PolarHBondContact NZ-OE1 3.17Å; K261-E265 IonicContact NZ-OE2 3.53Å; K261-E265 WeakPolarHBondContact O-CG 3.37Å; K261-E265 PolarHBondContact O-N 3.2Å |
| 262 | T | 90.6 | Very high | 89.4 | Confident | 68 Ų | 68 | 106.8 Ų | 106.8 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 175.5 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | N258 R259 K264 E265 E266 | N258-T262 PolarHBondContact O-N 3.47Å; N258-T262 PolarHBondContact O-OG1 3.11Å; R259-T262 PolarHBondContact O-N 3.44Å; T262-K264 VanDerWaalsContact C-N 3.28Å; T262-K264 PolarHBondContact O-N 2.74Å; T262-E265 PolarHBondContact O-N 3.37Å; T262-E265 VanDerWaalsContact O-N 3.13Å; T262-E266 HydrophobicContact CG2-CG 4.46Å; T262-E266 WeakPolarHBondContact O-CB 3.36Å; T262-E266 WeakPolarHBondContact O-CG 3.35Å; T262-E266 PolarHBondContact O-N 3.14Å |
| 263 | L | 88.6 | Confident | 88.7 | Confident | 100 Ų | 100 | 105.6 Ų | 105.6 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -31.9 | 174.9 | -73.3 | 167.5 | 0 | 0 | 0 | 112.8 | R259 K261 M267 | R259-L263 WeakPolarHBondContact O-CB 3.47Å; R259-L263 VanDerWaalsContact O-CG 3.29Å; R259-L263 WeakPolarHBondContact O-CG 3.44Å; R259-L263 PolarHBondContact O-N 2.89Å; K261-L263 PolarHBondContact O-N 3.49Å; L263-M267 VanDerWaalsContact O-CB 3.27Å; L263-M267 WeakPolarHBondContact O-CB 3.43Å; L263-M267 WeakPolarHBondContact O-CG 3.25Å; L263-M267 PolarHBondContact O-N 2.96Å |
| 264 | K | 88.1 | Confident | 87.8 | Confident | 143 Ų | 143 | 104.6 Ų | 104.6 | 62% | 0.622 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.7 | -40.3 | 172 | -78.5 | 168.8 | -179 | 174.7 | 0 | 112.1 | T260 K261 T262 M267 E268 | T260-K264 HydrophobicContact CG2-CD 4.35Å; T260-K264 WeakPolarHBondContact O-CB 3.33Å; T260-K264 WeakPolarHBondContact O-CD 3.47Å; T260-K264 WeakPolarHBondContact O-CG 3.35Å; T260-K264 PolarHBondContact O-N 3.18Å; K261-K264 WeakPolarHBondContact O-CB 3.47Å; K261-K264 PolarHBondContact O-N 3.48Å; K261-K264 VanDerWaalsContact O-N 3.11Å; T262-K264 VanDerWaalsContact C-N 3.28Å; T262-K264 PolarHBondContact O-N 2.74Å; K264-M267 PolarHBondContact O-N 3.46Å; K264-E268 WeakPolarHBondContact O-CB 3.29Å; K264-E268 PolarHBondContact O-N 3.41Å |
| 265 | E | 89.3 | Confident | 87 | Confident | 88 Ų | 88 | 106.6 Ų | 106.6 | 41% | 0.411 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 176.3 | -71.5 | 165.2 | 167 | 0 | 0 | 111.2 | K261 T262 E268 S269 | K261-E265 WeakPolarHBondContact CE-OE1 3.28Å; K261-E265 IonicContact NZ-OE1 3.47Å; K261-E265 PolarHBondContact NZ-OE1 3.17Å; K261-E265 IonicContact NZ-OE2 3.53Å; K261-E265 WeakPolarHBondContact O-CG 3.37Å; K261-E265 PolarHBondContact O-N 3.2Å; T262-E265 PolarHBondContact O-N 3.37Å; T262-E265 VanDerWaalsContact O-N 3.13Å; E265-E268 PolarHBondContact O-N 3Å; E265-S269 WeakPolarHBondContact O-CB 3.33Å; E265-S269 PolarHBondContact O-N 3.46Å; E265-S269 PolarHBondContact O-OG 3.18Å |
| 266 | E | 90.1 | Very high | 85.9 | Confident | 97 Ų | 97 | 103.7 Ų | 103.7 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -51.2 | 169.6 | -75.5 | 176.5 | 179.5 | 0 | 0 | 111 | T262 E268 S269 L270 | T262-E266 HydrophobicContact CG2-CG 4.46Å; T262-E266 WeakPolarHBondContact O-CB 3.36Å; T262-E266 WeakPolarHBondContact O-CG 3.35Å; T262-E266 PolarHBondContact O-N 3.14Å; E266-E268 VanDerWaalsContact C-N 3.3Å; E266-E268 PolarHBondContact O-N 3.06Å; E266-S269 PolarHBondContact O-N 3.46Å; E266-S269 VanDerWaalsContact O-N 3.17Å; E266-S269 PolarHBondContact O-OG 3.08Å; E266-L270 WeakPolarHBondContact O-CB 3.21Å; E266-L270 WeakPolarHBondContact O-CG 3.21Å; E266-L270 PolarHBondContact O-N 3.5Å |
| 267 | M | 85.8 | Confident | 84.4 | Confident | 133 Ų | 133 | 104.4 Ų | 104.4 | 66% | 0.655 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.3 | -36.3 | 176.4 | -76.8 | -76.9 | 172.5 | 0 | 0 | 112.9 | L263 K264 K271 | L263-M267 VanDerWaalsContact O-CB 3.27Å; L263-M267 WeakPolarHBondContact O-CB 3.43Å; L263-M267 WeakPolarHBondContact O-CG 3.25Å; L263-M267 PolarHBondContact O-N 2.96Å; K264-M267 PolarHBondContact O-N 3.46Å; M267-K271 WeakPolarHBondContact O-CB 3.45Å; M267-K271 PolarHBondContact O-N 3.35Å |
| 268 | E | 86.5 | Confident | 82.8 | Confident | 142 Ų | 142 | 106 Ų | 106 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.7 | -39.4 | 174.7 | -176.1 | 159.5 | -144 | 0 | 0 | 111.7 | K264 E265 E266 K271 K272 | K264-E268 WeakPolarHBondContact O-CB 3.29Å; K264-E268 PolarHBondContact O-N 3.41Å; E265-E268 PolarHBondContact O-N 3Å; E266-E268 VanDerWaalsContact C-N 3.3Å; E266-E268 PolarHBondContact O-N 3.06Å; E268-K271 PolarHBondContact O-N 2.94Å; E268-K272 WeakPolarHBondContact O-CB 3.37Å; E268-K272 PolarHBondContact O-N 3.05Å |
| 269 | S | 83.9 | Confident | 81 | Confident | 60 Ų | 60 | 106.4 Ų | 106.4 | 42% | 0.42 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 173.9 | 78.4 | 0 | 0 | 0 | 0 | 112.1 | E265 E266 K272 I273 | E265-S269 WeakPolarHBondContact O-CB 3.33Å; E265-S269 PolarHBondContact O-N 3.46Å; E265-S269 PolarHBondContact O-OG 3.18Å; E266-S269 PolarHBondContact O-N 3.46Å; E266-S269 VanDerWaalsContact O-N 3.17Å; E266-S269 PolarHBondContact O-OG 3.08Å; S269-K272 WeakPolarHBondContact O-CB 3.48Å; S269-K272 PolarHBondContact O-N 2.86Å; S269-I273 WeakPolarHBondContact O-CB 3.41Å; S269-I273 VanDerWaalsContact O-CG1 3.27Å; S269-I273 WeakPolarHBondContact O-CG1 3.45Å; S269-I273 PolarHBondContact O-N 3.48Å |
| 270 | L | 84.4 | Confident | 78.7 | Confident | 96 Ų | 96 | 104.6 Ų | 104.6 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 173.3 | -79 | 162.8 | 0 | 0 | 0 | 110.9 | E266 K272 I273 V274 | E266-L270 WeakPolarHBondContact O-CB 3.21Å; E266-L270 WeakPolarHBondContact O-CG 3.21Å; E266-L270 PolarHBondContact O-N 3.5Å; L270-K272 VanDerWaalsContact C-N 3.26Å; L270-K272 PolarHBondContact O-N 2.97Å; L270-I273 PolarHBondContact O-N 3.15Å; L270-V274 VanDerWaalsContact O-CG2 3.32Å; L270-V274 WeakPolarHBondContact O-CG2 3.47Å; L270-V274 PolarHBondContact O-N 3.33Å |
| 271 | K | 83.1 | Confident | 76.2 | Confident | 147 Ų | 147 | 108.5 Ų | 108.5 | 64% | 0.639 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64 | -30.7 | 175.1 | -175 | 177.3 | -177 | 179.8 | 0 | 112.6 | M267 E268 K275 | M267-K271 WeakPolarHBondContact O-CB 3.45Å; M267-K271 PolarHBondContact O-N 3.35Å; E268-K271 PolarHBondContact O-N 2.94Å; K271-K275 PolarHBondContact O-N 3.24Å |
| 272 | K | 81.8 | Confident | 73.5 | Confident | 128 Ų | 128 | 111.2 Ų | 111.2 | 56% | 0.557 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.9 | -46.1 | 171.3 | -168.3 | -168.5 | 171.7 | -163.7 | 0 | 111.3 | E268 S269 L270 V274 K275 D276 | E268-K272 WeakPolarHBondContact O-CB 3.37Å; E268-K272 PolarHBondContact O-N 3.05Å; S269-K272 WeakPolarHBondContact O-CB 3.48Å; S269-K272 PolarHBondContact O-N 2.86Å; L270-K272 VanDerWaalsContact C-N 3.26Å; L270-K272 PolarHBondContact O-N 2.97Å; K272-V274 VanDerWaalsContact C-N 3.28Å; K272-V274 PolarHBondContact O-N 2.69Å; K272-K275 CarbonylContact O-C 3.56Å; K272-K275 WeakPolarHBondContact O-CA 3.36Å; K272-K275 WeakPolarHBondContact O-CB 3.4Å; K272-K275 PolarHBondContact O-N 3.02Å; K272-D276 VanDerWaalsContact CE-OD2 3.26Å; K272-D276 WeakPolarHBondContact CE-OD2 3.22Å; K272-D276 IonicContact NZ-OD2 2.68Å; K272-D276 WeakPolarHBondContact O-CB 3.4Å; K272-D276 VanDerWaalsContact O-CG 3.28Å; K272-D276 PolarHBondContact O-N 2.69Å |
| 273 | I | 81.4 | Confident | 70.6 | Confident | 91 Ų | 91 | 117 Ų | 117 | 47% | 0.467 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.4 | -39.9 | 175.7 | -70.4 | 162 | 0 | 0 | 0 | 110.9 | S269 L270 D276 L277 | S269-I273 WeakPolarHBondContact O-CB 3.41Å; S269-I273 VanDerWaalsContact O-CG1 3.27Å; S269-I273 WeakPolarHBondContact O-CG1 3.45Å; S269-I273 PolarHBondContact O-N 3.48Å; L270-I273 PolarHBondContact O-N 3.15Å; I273-D276 PolarHBondContact O-N 2.96Å; I273-L277 HydrophobicContact CG2-CD1 3.84Å; I273-L277 HydrophobicContact CG2-CG 4.39Å; I273-L277 VanDerWaalsContact O-CB 3.3Å; I273-L277 WeakPolarHBondContact O-CB 3.48Å; I273-L277 VanDerWaalsContact O-CG 3.24Å; I273-L277 WeakPolarHBondContact O-CG 3.27Å; I273-L277 PolarHBondContact O-N 3.3Å |
| 274 | V | 76.1 | Confident | 67.7 | Low | 79 Ų | 79 | 118.1 Ų | 118.1 | 48% | 0.479 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.4 | -48.3 | 172 | 168.1 | 0 | 0 | 0 | 0 | 110.9 | L270 K272 D276 L277 E278 | L270-V274 VanDerWaalsContact O-CG2 3.32Å; L270-V274 WeakPolarHBondContact O-CG2 3.47Å; L270-V274 PolarHBondContact O-N 3.33Å; K272-V274 VanDerWaalsContact C-N 3.28Å; K272-V274 PolarHBondContact O-N 2.69Å; V274-D276 PolarHBondContact O-N 2.79Å; V274-L277 PolarHBondContact O-N 2.84Å; V274-E278 WeakPolarHBondContact O-CG 3.4Å; V274-E278 PolarHBondContact O-N 2.78Å |
| 275 | K | 76.4 | Confident | 64.9 | Low | 130 Ų | 130 | 116.4 Ų | 116.4 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.5 | -40.8 | 175.4 | -81 | -174.4 | 167.8 | -165.8 | 0 | 113.9 | K271 K272 L277 E278 A279 | K271-K275 PolarHBondContact O-N 3.24Å; K272-K275 CarbonylContact O-C 3.56Å; K272-K275 WeakPolarHBondContact O-CA 3.36Å; K272-K275 WeakPolarHBondContact O-CB 3.4Å; K272-K275 PolarHBondContact O-N 3.02Å; K275-L277 VanDerWaalsContact C-N 3.3Å; K275-E278 PolarHBondContact O-N 2.93Å; K275-A279 VanDerWaalsContact O-CB 3.27Å; K275-A279 WeakPolarHBondContact O-CB 3.34Å; K275-A279 PolarHBondContact O-N 3.07Å |
| 276 | D | 69.6 | Low | 62.7 | Low | 86 Ų | 86 | 117.6 Ų | 117.6 | 46% | 0.46 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.1 | -28.7 | -178.7 | -66.1 | -13.8 | 0 | 0 | 0 | 110.4 | K272 I273 V274 S280 | K272-D276 VanDerWaalsContact CE-OD2 3.26Å; K272-D276 WeakPolarHBondContact CE-OD2 3.22Å; K272-D276 IonicContact NZ-OD2 2.68Å; K272-D276 WeakPolarHBondContact O-CB 3.4Å; K272-D276 VanDerWaalsContact O-CG 3.28Å; K272-D276 PolarHBondContact O-N 2.69Å; I273-D276 PolarHBondContact O-N 2.96Å; V274-D276 PolarHBondContact O-N 2.79Å; D276-S280 WeakPolarHBondContact O-CB 3.25Å; D276-S280 PolarHBondContact O-N 3.34Å |
| 277 | L | 60.2 | Low | 59.6 | Low | 114 Ų | 114 | 120.1 Ų | 120.1 | 60% | 0.597 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.2 | -43.4 | 169 | -75 | 168.1 | 0 | 0 | 0 | 112.6 | I273 V274 K275 A279 S280 H281 | I273-L277 HydrophobicContact CG2-CD1 3.84Å; I273-L277 HydrophobicContact CG2-CG 4.39Å; I273-L277 VanDerWaalsContact O-CB 3.3Å; I273-L277 WeakPolarHBondContact O-CB 3.48Å; I273-L277 VanDerWaalsContact O-CG 3.24Å; I273-L277 WeakPolarHBondContact O-CG 3.27Å; I273-L277 PolarHBondContact O-N 3.3Å; V274-L277 PolarHBondContact O-N 2.84Å; K275-L277 VanDerWaalsContact C-N 3.3Å; L277-A279 VanDerWaalsContact C-N 3.27Å; L277-A279 PolarHBondContact O-N 3.16Å; L277-S280 PolarHBondContact O-N 3.41Å; L277-H281 PolarHBondContact O-N 2.96Å |
| 278 | E | 59.2 | Low | 56.8 | Low | 139 Ų | 139 | 120.2 Ų | 120.2 | 65% | 0.65 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -56.6 | -42.6 | 170.8 | -75.8 | 178.3 | 135.5 | 0 | 0 | 110.7 | V274 K275 S280 | V274-E278 WeakPolarHBondContact O-CG 3.4Å; V274-E278 PolarHBondContact O-N 2.78Å; K275-E278 PolarHBondContact O-N 2.93Å; E278-S280 PolarHBondContact O-N 3.09Å |
| 279 | A | 53.7 | Low | 54.1 | Low | 88 Ų | 88 | 120.2 Ų | 120.2 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -13.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | K275 L277 | K275-A279 VanDerWaalsContact O-CB 3.27Å; K275-A279 WeakPolarHBondContact O-CB 3.34Å; K275-A279 PolarHBondContact O-N 3.07Å; L277-A279 VanDerWaalsContact C-N 3.27Å; L277-A279 PolarHBondContact O-N 3.16Å |
| 280 | S | 44 | Very low | 51.5 | Low | 94 Ų | 94 | 123 Ų | 123 | 66% | 0.657 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 6.1 | -177.9 | -170.1 | 0 | 0 | 0 | 0 | 113.9 | D276 L277 E278 | D276-S280 WeakPolarHBondContact O-CB 3.25Å; D276-S280 PolarHBondContact O-N 3.34Å; L277-S280 PolarHBondContact O-N 3.41Å; E278-S280 PolarHBondContact O-N 3.09Å |
| 281 | H | 36.7 | Very low | 48.9 | Very low | 148 Ų | 148 | 127.2 Ų | 127.2 | 69% | 0.685 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -137.4 | 100.3 | 178.3 | -144.3 | 64.2 | 0 | 0 | 0 | 115 | L277 | L277-H281 PolarHBondContact O-N 2.96Š|
| 282 | Q | 35 | Very low | 46.9 | Very low | 165 Ų | 165 | 129 Ų | 129 | 77% | 0.771 | 67% | 0.674 | S | S | * | * | trans | 81.7 | 145.9 | 162.7 | -58.6 | -72.3 | 21.6 | 0 | 0 | 120 | ||||
| 283 | H | 29.3 | Very low | 45 | Very low | 189 Ų | 189 | 128.6 Ų | 128.6 | 88% | 0.875 | 69% | 0.685 | S | S | * | * | trans | -93.2 | 128 | 172.2 | -80.1 | -104.6 | 0 | 0 | 0 | 111.5 | ||||
| 284 | S | 27.6 | Very low | 42.7 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | trans | -173.7 | 171.3 | 138 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 285 | S | 29.6 | Very low | 40.7 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | trans | -137.4 | 179.9 | 170.6 | 69.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 286 | P | 42.4 | Very low | 38.5 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | cis | -142 | 173.5 | 2.6 | 43.8 | -26.4 | 0 | 0 | 0 | 117.5 | ||||
| 287 | N | 25.1 | Very low | 36.8 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | trans | 71.6 | 164.9 | 144.3 | -153.2 | 24.8 | 0 | 0 | 0 | 122.8 | ||||
| 288 | E | 27.2 | Very low | 35.4 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | trans | 87.8 | 111.2 | 162.1 | -65.4 | -102.9 | 88.8 | 0 | 0 | 120.6 | ||||
| 289 | Q | 28.7 | Very low | 34 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | trans | 47 | 151.8 | 138.9 | -38.4 | -170.2 | 29 | 0 | 0 | 120.6 | ||||
| 290 | L | 30.1 | Very low | 33 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 62% | 0.623 | 76% | 0.756 | S | S | * | * | cis | -172.6 | 149.3 | 34.9 | -172.3 | 49.4 | 0 | 0 | 0 | 113.3 | ||||
| 291 | K | 29.7 | Very low | 32.4 | Very low | 183 Ų | 183 | 136.1 Ų | 136.1 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | 66.8 | 129.9 | 158.7 | -78.5 | 160.2 | -164.5 | 166.9 | 0 | 122.1 | ||||
| 292 | K | 40.3 | Very low | 32.2 | Very low | 185 Ų | 185 | 135.8 Ų | 135.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -89.8 | 164.1 | 154.5 | -57 | 174 | -178.4 | 176.7 | 0 | 109.7 | ||||
| 293 | P | 42.9 | Very low | 32.1 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | -125.8 | 162 | 100.6 | 0.4 | 22.2 | 0 | 0 | 0 | 112.1 | |||||
| 294 | V | 32 | Very low | 33.6 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | cis | 79.5 | 128.7 | 31.4 | 178.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 295 | T | 34.5 | Very low | 33.7 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | cis | -112.1 | -126.9 | 2.6 | -29 | 0 | 0 | 0 | 0 | 112 | ||||
| 296 | V | 31.8 | Very low | 34.4 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | cis | -151.5 | 177.5 | -0.8 | 83 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 297 | S | 32.4 | Very low | 34.4 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -66.8 | 167.8 | 178.1 | -133.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 298 | K | 31.5 | Very low | 34.8 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | cis | -156.5 | 139.3 | 39.5 | -161 | 172.3 | 180 | -179.2 | 0 | 108 | ||||
| 299 | G | 29.8 | Very low | 35.3 | Very low | 64 Ų | 64 | 137 Ų | 137 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | 83.5 | 123.5 | 59.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 300 | T | 32.8 | Very low | 35.7 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | cis | -150.3 | 171 | 19.8 | 39.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 301 | A | 30.9 | Very low | 35.7 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | -74.8 | 167.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 302 | T | 32.9 | Very low | 36 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 87% | 0.871 | 77% | 0.771 | S | S | * | * | -168.3 | 156.9 | 119.4 | -66.8 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 303 | E | 33.1 | Very low | 35.9 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -87.4 | -148.4 | 172.7 | -156.3 | -152.8 | -177.7 | 0 | 0 | 111.1 | ||||
| 304 | P | 59.9 | Low | 35.4 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 63% | 0.63 | 77% | 0.769 | S | S | * | * | trans | -90.1 | 164.4 | -138.4 | 40.3 | -28.4 | 0 | 0 | 0 | 113.2 | ||||
| 305 | L | 29.1 | Very low | 35.3 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | -155.9 | 124.5 | 155.2 | -114.6 | 156.1 | 0 | 0 | 0 | 113.2 | L307 | L305-L307 HydrophobicContact CD2-CD1 4.16Å; L305-L307 HydrophobicContact CD2-CG 3.9Å | ||
| 306 | M | 46.2 | Very low | 35.4 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | trans | -90.3 | 114.1 | 160.4 | 173.3 | -144 | -59.5 | 0 | 0 | 108.1 | ||||
| 307 | L | 40.6 | Very low | 35.3 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | -152.8 | 121.1 | 159.2 | -79.6 | -174.6 | 0 | 0 | 0 | 107.2 | L305 | L305-L307 HydrophobicContact CD2-CD1 4.16Å; L305-L307 HydrophobicContact CD2-CG 3.9Å | ||
| 308 | M | 35.3 | Very low | 36.1 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | 69.3 | 112.6 | 75.3 | -73.6 | -93.6 | 87.8 | 0 | 0 | 114.3 | |||||
| 309 | S | 37.8 | Very low | 36.1 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -147 | 96.1 | 142.2 | -161.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 310 | V | 36.6 | Very low | 36.2 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | 67.2 | 94.2 | 108.1 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 311 | F | 30.7 | Very low | 36.5 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 61% | 0.605 | 76% | 0.758 | S | S | * | * | cis | 67.1 | 114.4 | 48 | -170.1 | -82.5 | 0 | 0 | 0 | 114.3 | Q313 | F311-Q313 HydrophobicContact CD2-CG 4.48Å; F311-Q313 HydrophobicContact CE1-CB 4.09Å; F311-Q313 HydrophobicContact CE1-CG 4.48Å; F311-Q313 HydrophobicContact CE2-CB 4.13Å; F311-Q313 HydrophobicContact CE2-CG 3.64Å; F311-Q313 HydrophobicContact CZ-CB 3.59Å; F311-Q313 HydrophobicContact CZ-CG 3.65Å | ||
| 312 | C | 34.9 | Very low | 36.7 | Very low | 127 Ų | 127 | 139 Ų | 139 | 86% | 0.858 | 75% | 0.752 | S | S | * | * | trans | -149.5 | 87.7 | 148.5 | -104 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 313 | Q | 38.5 | Very low | 37 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | -74.4 | 149.8 | 147.5 | -62.7 | 172.3 | -19.1 | 0 | 0 | 108 | F311 | F311-Q313 HydrophobicContact CD2-CG 4.48Å; F311-Q313 HydrophobicContact CE1-CB 4.09Å; F311-Q313 HydrophobicContact CE1-CG 4.48Å; F311-Q313 HydrophobicContact CE2-CB 4.13Å; F311-Q313 HydrophobicContact CE2-CG 3.64Å; F311-Q313 HydrophobicContact CZ-CB 3.59Å; F311-Q313 HydrophobicContact CZ-CG 3.65Å | ||
| 314 | T | 31.9 | Very low | 37 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | trans | -157 | 148.9 | 149.7 | -72.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 315 | E | 29.7 | Very low | 36.1 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 90% | 0.897 | 74% | 0.744 | S | S | * | * | trans | -86.6 | -161 | -174.4 | -57.5 | -174.6 | 112.3 | 0 | 0 | 113.4 | ||||
| 316 | S | 36.3 | Very low | 36.5 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 55% | 0.545 | 74% | 0.742 | S | S | . | * | trans | -100.6 | -177.4 | -162.7 | 46.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 317 | F | 30 | Very low | 36.2 | Very low | 186 Ų | 186 | 134.6 Ų | 134.6 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | trans | 86.2 | 164.5 | 164.3 | -46.6 | -58.3 | 0 | 0 | 0 | 116.9 | ||||
| 318 | P | 49.7 | Very low | 35.9 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | -140.2 | 163.1 | -52.5 | 38.8 | -24.8 | 0 | 0 | 0 | 115.3 | |||||
| 319 | A | 31.8 | Very low | 35.8 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -160.2 | 126.2 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 320 | E | 31.8 | Very low | 35.6 | Very low | 143 Ų | 143 | 135 Ų | 135 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | cis | 58.7 | 134.3 | 39.2 | -75.4 | -146.1 | 121.1 | 0 | 0 | 114 | ||||
| 321 | R | 39.8 | Very low | 35.3 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | cis | -156.7 | 170.3 | 8.7 | -140 | -177.5 | -73.7 | 119.2 | 3.8 | 107.8 | ||||
| 322 | T | 34.7 | Very low | 35.3 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | cis | -161.8 | 142.6 | 20.6 | -39.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 323 | H | 39.7 | Very low | 35.2 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | trans | 48.2 | 149.8 | 156.6 | -77.4 | -52.2 | 0 | 0 | 0 | 123.1 | ||||
| 324 | G | 33.3 | Very low | 34.8 | Very low | 62 Ų | 62 | 133 Ų | 133 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | cis | -161.4 | 144.4 | -1.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 325 | S | 40.8 | Very low | 35.1 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | 75.8 | 122.9 | 76.1 | -149.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 326 | N | 36.2 | Very low | 36.2 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | cis | -135.6 | -167.5 | 21.4 | -54.6 | -104.4 | 0 | 0 | 0 | 108.9 | ||||
| 327 | I | 39.5 | Very low | 36.1 | Very low | 166 Ų | 166 | 130.5 Ų | 130.5 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | cis | -153.1 | -167.2 | 4.8 | -152.1 | 161.7 | 0 | 0 | 0 | 110.7 | ||||
| 328 | A | 35.1 | Very low | 37 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | -87.2 | -179.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 329 | K | 34 | Very low | 36.1 | Very low | 189 Ų | 189 | 126.3 Ų | 126.3 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | cis | -165.2 | 113.4 | 29.2 | -168.8 | 171.1 | -179 | -178.8 | 0 | 116.3 | ||||
| 330 | M | 32.5 | Very low | 36.3 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | 43.1 | 123.3 | 131.4 | -173.9 | -176 | -178.1 | 0 | 0 | 122.6 | ||||
| 331 | T | 30 | Very low | 37.4 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | -163.4 | 176 | 134.2 | 2.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 332 | N | 31 | Very low | 36.9 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 66% | 0.663 | 77% | 0.772 | S | S | * | * | trans | -111.3 | 173.7 | -153.9 | -67.9 | -19.1 | 0 | 0 | 0 | 116.9 | ||||
| 333 | T | 33.1 | Very low | 36.9 | Very low | 148 Ų | 148 | 129 Ų | 129 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | trans | 96.8 | 144.8 | 150.7 | 72.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 334 | G | 29.7 | Very low | 36.6 | Very low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | 110.9 | 93.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 335 | L | 37.4 | Very low | 36.6 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -103.2 | 173 | 150.5 | -118.2 | 73.5 | 0 | 0 | 0 | 108 | ||||
| 336 | P | 54.7 | Low | 36.1 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | cis | -138.2 | 179.6 | -15.1 | 39.7 | -22.3 | 0 | 0 | 0 | 115.5 | ||||
| 337 | G | 34 | Very low | 36.2 | Very low | 71 Ų | 71 | 134.1 Ų | 134.1 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | 88 | 174.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 338 | P | 48.2 | Very low | 36 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | cis | -116.1 | -155.3 | 8.4 | 43.2 | -31.4 | 0 | 0 | 0 | 113.5 | ||||
| 339 | A | 31.2 | Very low | 36.1 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 66% | 0.661 | 80% | 0.796 | S | S | * | * | trans | -140.7 | 154.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 340 | T | 36.6 | Very low | 36.2 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | 62.6 | -179.9 | 157.3 | 63.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 341 | P | 54.8 | Low | 36 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | -138.1 | 168.7 | -83.6 | 42.5 | -25.9 | 0 | 0 | 0 | 116.3 | |||||
| 342 | A | 28.1 | Very low | 36.1 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -160.7 | 157.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 343 | Y | 34.9 | Very low | 36.1 | Very low | 222 Ų | 222 | 131.1 Ų | 131.1 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | trans | -130.3 | 144.9 | -174.5 | -124.4 | -99.7 | 0 | 0 | 0 | 110.6 | ||||
| 344 | S | 33.6 | Very low | 36.6 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -172.1 | 111.5 | 142.2 | 47.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 345 | Y | 33.1 | Very low | 36.3 | Very low | 199 Ų | 199 | 133.4 Ų | 133.4 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | 22.5 | 131.3 | 143.3 | -101.1 | -98.1 | 0 | 0 | 0 | 123 | ||||
| 346 | A | 29.6 | Very low | 36.1 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -150.2 | 148.4 | 145.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 347 | K | 38.4 | Very low | 34.9 | Very low | 172 Ų | 172 | 135 Ų | 135 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -160.4 | 155.6 | 178.2 | -95.9 | 177.6 | 175.3 | 174.7 | 0 | 107.2 | ||||
| 348 | T | 36.8 | Very low | 34.6 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | cis | -148.8 | -171.5 | 7.9 | -6.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 349 | N | 37 | Very low | 33.5 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -6.6 | 144.7 | 152.5 | -47.5 | -0.7 | 0 | 0 | 0 | 117.8 | ||||
| 350 | G | 34.8 | Very low | 33.5 | Very low | 70 Ų | 70 | 145 Ų | 145 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | cis | 155.3 | -165 | 2.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 351 | H | 28 | Very low | 33.1 | Very low | 194 Ų | 194 | 147.2 Ų | 147.2 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | 83.3 | 162.2 | 176.3 | -153.3 | 40.1 | 0 | 0 | 0 | 117.3 | ||||
| 352 | C | 32.3 | Very low | 31.7 | Very low | 98 Ų | 98 | 149.2 Ų | 149.2 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | trans | -147.3 | 141.4 | -158.8 | -52.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 353 | D | 32.7 | Very low | 31.7 | Very low | 155 Ų | 155 | 150.3 Ų | 150.3 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | 56.8 | 162.7 | 152 | -83.4 | -58 | 0 | 0 | 0 | 121.1 | ||||
| 354 | P | 42.7 | Very low | 31.3 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | cis | -125.2 | 175.7 | -11.8 | 33 | -14.3 | 0 | 0 | 0 | 113.9 | ||||
| 355 | E | 24.1 | Very low | 31 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | 165.1 | 130.5 | 118.4 | -87.1 | -160.6 | 152.3 | 0 | 0 | 115.2 | |||||
| 356 | I | 32.4 | Very low | 30.7 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | trans | 27.9 | 108.7 | 141.4 | -45.6 | 176.4 | 0 | 0 | 0 | 118.5 | T358 | I356-T358 HydrophobicContact CG2-CG2 4.28Š| ||
| 357 | Q | 29 | Very low | 30.5 | Very low | 187 Ų | 187 | 142.9 Ų | 142.9 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -126.8 | 121.6 | 146.7 | -76.6 | -164.7 | 0.2 | 0 | 0 | 111.9 | ||||
| 358 | T | 28.2 | Very low | 30.1 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | -89.7 | 101.1 | 176.2 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | I356 | I356-T358 HydrophobicContact CG2-CG2 4.28Š| ||
| 359 | T | 26 | Very low | 29.7 | Very low | 132 Ų | 132 | 142 Ų | 142 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 126.4 | 168.8 | -61.5 | 0 | 0 | 0 | 0 | 110 | ||
| 360 | R | 31.5 | Very low | 29.1 | Very low | 239 Ų | 239 | 139.9 Ų | 139.9 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 128.2 | 177.5 | -75.8 | 173.6 | 161.7 | 144.6 | -7.5 | 111.4 | ||
| 361 | E | 26.9 | Very low | 28.7 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 148.1 | 154.3 | -68.3 | -166 | 126.5 | 0 | 0 | 110.6 | ||
| 362 | L | 26.5 | Very low | 29.1 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -106.4 | 88.5 | 178.1 | -178.8 | 66.8 | 0 | 0 | 0 | 109.8 | T364 | L362-T364 PolarHBondContact O-N 2.9Š| ||
| 363 | T | 28.2 | Very low | 29.3 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -81.3 | 98.4 | 180 | -41.9 | 0 | 0 | 0 | 0 | 111.4 | G365 | T363-G365 PolarHBondContact O-N 3.05Š| ||
| 364 | T | 26.2 | Very low | 29.8 | Very low | 117 Ų | 117 | 140 Ų | 140 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | -71.9 | 93.1 | 172.6 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | L362 | L362-T364 PolarHBondContact O-N 2.9Š| ||
| 365 | G | 26.5 | Very low | 29.1 | Very low | 64 Ų | 64 | 145.4 Ų | 145.4 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | trans | -100.4 | 123.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T363 | T363-G365 PolarHBondContact O-N 3.05Š| ||
| 366 | N | 26.3 | Very low | 29.4 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | -140.3 | 109.5 | 178.6 | -101.7 | -25.9 | 0 | 0 | 0 | 112.1 | ||||
| 367 | N | 26.3 | Very low | 29.2 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -153.4 | 126.7 | 153.6 | -127.7 | -118.3 | 0 | 0 | 0 | 109.8 | ||||
| 368 | V | 30.4 | Very low | 29.1 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | 47.3 | 131.4 | 122.8 | 174.4 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 369 | E | 27.9 | Very low | 29 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | cis | 178.3 | 151 | -5.5 | 174.1 | 177.1 | 109.9 | 0 | 0 | 106.5 | ||||
| 370 | N | 24.4 | Very low | 29 | Very low | 113 Ų | 113 | 139 Ų | 139 | 60% | 0.604 | 75% | 0.751 | S | S | * | * | 166.7 | 137.5 | 129.4 | -97.7 | -90.1 | 0 | 0 | 0 | 116.3 | |||||
| 371 | Q | 26.3 | Very low | 28.9 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 66.6 | 117.3 | 140.4 | -77.1 | 176.1 | 71.4 | 0 | 0 | 124.2 | ||||
| 372 | V | 36.1 | Very low | 29.1 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | 61.4 | 123 | 117.1 | 176.3 | 0 | 0 | 0 | 0 | 119 | |||||
| 373 | P | 36 | Very low | 29.3 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | -139.9 | -158.3 | 107.8 | 43.1 | -27.7 | 0 | 0 | 0 | 112.7 | |||||
| 374 | P | 43 | Very low | 29.2 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | -129.6 | -170.7 | -99.6 | 40.1 | -20.2 | 0 | 0 | 0 | 116 | |||||
| 375 | R | 29.7 | Very low | 29.3 | Very low | 219 Ų | 219 | 136.8 Ų | 136.8 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | trans | -67.9 | 159.6 | 175.6 | -84.3 | -175.9 | 158.9 | -152.2 | -2.8 | 114.7 | ||||
| 376 | E | 30 | Very low | 30.1 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 65% | 0.654 | 75% | 0.747 | S | S | * | * | -174 | 168.3 | 106.6 | -86.4 | -97.8 | 100.1 | 0 | 0 | 113.4 | |||||
| 377 | K | 28.8 | Very low | 30.4 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | trans | -59.6 | 157.7 | -167.2 | -46.5 | 115.3 | 178.7 | 162.9 | 0 | 115.2 | ||||
| 378 | S | 26.3 | Very low | 30.7 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | 168.9 | 173 | 73 | -99.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 379 | V | 25.5 | Very low | 30.8 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | cis | -170.4 | 134.4 | -29.9 | 132 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 380 | A | 26.9 | Very low | 30.9 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | 54.9 | 154.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 381 | L | 29.6 | Very low | 31 | Very low | 173 Ų | 173 | 134.2 Ų | 134.2 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | trans | 74.8 | 146.8 | 162.7 | -97.6 | 69.1 | 0 | 0 | 0 | 119.6 | ||||
| 382 | A | 31.2 | Very low | 31.3 | Very low | 70 Ų | 70 | 132.7 Ų | 132.7 | 58% | 0.579 | 76% | 0.763 | S | S | * | * | cis | -158.3 | 155.2 | -4.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 383 | Q | 29 | Very low | 32 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | 59.9 | 158.2 | 155.5 | -75.8 | 168.2 | -105.2 | 0 | 0 | 119.9 | ||||
| 384 | E | 26.3 | Very low | 31.8 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | cis | -142.1 | -165.1 | 7.2 | -142 | -165.4 | 155 | 0 | 0 | 114.4 | ||||
| 385 | K | 27.8 | Very low | 31.2 | Very low | 186 Ų | 186 | 131.5 Ų | 131.5 | 81% | 0.809 | 77% | 0.769 | S | S | * | * | trans | -114.8 | -168.5 | -177.9 | -89.5 | -167.7 | 176 | -172 | 0 | 110.8 | ||||
| 386 | P | 43.8 | Very low | 31.5 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | -117.1 | -176 | -18.5 | 21.5 | 3.5 | 0 | 0 | 0 | 112 | ||||
| 387 | V | 32.6 | Very low | 31.4 | Very low | 120 Ų | 120 | 129 Ų | 129 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | -176.2 | 146.8 | 76.2 | 159.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 388 | E | 32.3 | Very low | 31.6 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -12.9 | 162.5 | 154 | -73.8 | 171 | 84 | 0 | 0 | 121.4 | ||||
| 389 | N | 32.6 | Very low | 32.5 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | cis | -137.6 | 161.8 | -1.2 | -102.2 | -51.3 | 0 | 0 | 0 | 107.1 | ||||
| 390 | G | 30.6 | Very low | 33 | Very low | 76 Ų | 76 | 127.7 Ų | 127.7 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | cis | 97 | 123 | 47.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 391 | G | 26.1 | Very low | 34.2 | Very low | 80 Ų | 80 | 129.7 Ų | 129.7 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | cis | -171.3 | -172.7 | -1.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 392 | C | 33.3 | Very low | 34.6 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -98.5 | 170.6 | 174.7 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 393 | P | 51.2 | Low | 35.6 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | -151.4 | 150.7 | 95.1 | 38.2 | -20.6 | 0 | 0 | 0 | 118.1 | |||||
| 394 | V | 32.1 | Very low | 35.7 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | 43.5 | 131 | 132 | -172.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 395 | G | 28.9 | Very low | 36.7 | Very low | 78 Ų | 78 | 125.4 Ų | 125.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -166.9 | 133 | 159 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 396 | I | 36.2 | Very low | 37 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -110.7 | 155.6 | -170.4 | -43.6 | 174.5 | 0 | 0 | 0 | 110.4 | ||||
| 397 | E | 28.5 | Very low | 37.3 | Very low | 160 Ų | 160 | 124 Ų | 124 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | 142 | 156.5 | 138.9 | -78.2 | -61.8 | 112.1 | 0 | 0 | 115.1 | ||||
| 398 | T | 32.8 | Very low | 37.4 | Very low | 116 Ų | 116 | 123.2 Ų | 123.2 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | trans | -148.8 | 136.9 | 173.6 | -48.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 399 | P | 45.8 | Very low | 37.4 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | -147.7 | 172.4 | 123.3 | 34 | -16.3 | 0 | 0 | 0 | 115.6 | |||||
| 400 | V | 35 | Very low | 37.4 | Very low | 120 Ų | 120 | 119 Ų | 119 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -119.9 | 138 | 178 | 163.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 401 | P | 51.6 | Low | 37.6 | Very low | 129 Ų | 129 | 121 Ų | 121 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | -151.2 | 165.8 | 108.6 | 36.8 | -17 | 0 | 0 | 0 | 118.8 | |||||
| 402 | I | 39.8 | Very low | 37.8 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -81 | 147.1 | 176.1 | -74.6 | 162.4 | 0 | 0 | 0 | 109.4 | ||||
| 403 | P | 50.7 | Low | 37.9 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | -153.3 | 169.7 | 76.6 | 40.4 | -18.3 | 0 | 0 | 0 | 120.8 | |||||
| 404 | S | 31.3 | Very low | 37.1 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -69.6 | 171.5 | 172.2 | -25.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 405 | P | 48.2 | Very low | 38.1 | Very low | 128 Ų | 128 | 123 Ų | 123 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | -147.9 | 173.8 | 65 | 40.3 | -19.8 | 0 | 0 | 0 | 118.7 | |||||
| 406 | L | 33.8 | Very low | 38.2 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -68.7 | 168.4 | 165.2 | -96 | 167.7 | 0 | 0 | 0 | 111.7 | ||||
| 407 | P | 49.6 | Very low | 38.2 | Very low | 112 Ų | 112 | 122 Ų | 122 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | -161.2 | 177.9 | 56.9 | 46.3 | -24.3 | 0 | 0 | 0 | 122 | |||||
| 408 | S | 35.4 | Very low | 38.3 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | 105.1 | 134.7 | 134.1 | -77.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 409 | S | 32.1 | Very low | 38.3 | Very low | 128 Ų | 128 | 119.6 Ų | 119.6 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | 83.1 | 120.3 | 149.7 | -60 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 410 | G | 32.8 | Very low | 37.7 | Very low | 81 Ų | 81 | 118.9 Ų | 118.9 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | 171.6 | 64.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 411 | S | 34 | Very low | 37.7 | Very low | 118 Ų | 118 | 118 Ų | 118 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -55.8 | 161.3 | 170.9 | -48.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 412 | S | 31.5 | Very low | 36.8 | Very low | 103 Ų | 103 | 117 Ų | 117 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | cis | -177.7 | -171 | -14.4 | 52 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 413 | L | 34.7 | Very low | 36.5 | Very low | 165 Ų | 165 | 118.2 Ų | 118.2 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | 84.2 | 121 | 165.4 | -55.4 | 175.6 | 0 | 0 | 0 | 119.7 | ||||
| 414 | S | 35.1 | Very low | 35.7 | Very low | 107 Ų | 107 | 118.1 Ų | 118.1 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -103.3 | 167.8 | 145.8 | -47.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 415 | P | 52.6 | Low | 35.8 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | -139.6 | -164.2 | 111.6 | 38.9 | -26.4 | 0 | 0 | 0 | 113.1 | |||||
| 416 | S | 31.6 | Very low | 35.3 | Very low | 103 Ų | 103 | 117.6 Ų | 117.6 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -131.5 | 162.5 | -151.5 | -42.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 417 | S | 34.3 | Very low | 36 | Very low | 101 Ų | 101 | 115.9 Ų | 115.9 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | 82.7 | 152.7 | 141.4 | -59.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 418 | T | 31.7 | Very low | 35.1 | Very low | 140 Ų | 140 | 116.4 Ų | 116.4 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | 75 | 150.5 | 167.8 | 74 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 419 | A | 32.9 | Very low | 35 | Very low | 84 Ų | 84 | 117.4 Ų | 117.4 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | cis | -169.1 | -176.8 | -26.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 420 | S | 32.5 | Very low | 35.2 | Very low | 108 Ų | 108 | 116.4 Ų | 116.4 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 77.7 | 97.1 | 149.9 | -54.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 421 | S | 34.4 | Very low | 35.7 | Very low | 102 Ų | 102 | 118.1 Ų | 118.1 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | 54.5 | 123.4 | 123.1 | 65 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 422 | S | 33.7 | Very low | 35.8 | Very low | 109 Ų | 109 | 118.8 Ų | 118.8 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 60 | 124.6 | 130.1 | -53.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 423 | L | 34.1 | Very low | 36 | Very low | 167 Ų | 167 | 121.3 Ų | 121.3 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | -172.9 | 174.8 | 102 | -98.5 | 172.6 | 0 | 0 | 0 | 113 | |||||
| 424 | T | 34.3 | Very low | 36 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -71.6 | 150.2 | -169 | 77.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 425 | S | 33.3 | Very low | 36.4 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | 176 | 150.8 | 115.1 | 42.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 426 | S | 36.8 | Very low | 35.5 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -97.4 | 158.6 | 157.9 | -54.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 427 | P | 47.6 | Very low | 35.7 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | -139.7 | 160.3 | 111 | 38 | -28.2 | 0 | 0 | 0 | 114.3 | |||||
| 428 | C | 32.5 | Very low | 36 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -75.5 | 140.8 | 166.5 | -59.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 429 | S | 33 | Very low | 36 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -160.2 | 140.3 | 153.3 | -85.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 430 | S | 36.2 | Very low | 36.4 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -109.2 | 136.3 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 431 | P | 43.4 | Very low | 36.8 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -96.2 | 106.5 | 170.4 | 33.5 | -27.9 | 0 | 0 | 0 | 111.4 | ||||
| 432 | V | 35.2 | Very low | 36.9 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -94.3 | 105.1 | 164.8 | 175.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 433 | L | 35.9 | Very low | 37 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -152.8 | 155.9 | 169.2 | -70.7 | 179.1 | 0 | 0 | 0 | 109.5 | ||||
| 434 | T | 35.9 | Very low | 36.9 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 66% | 0.656 | 81% | 0.806 | S | S | * | * | cis | -164.3 | 137.4 | -36.8 | -101.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 435 | K | 41.5 | Very low | 37.5 | Very low | 191 Ų | 191 | 130.5 Ų | 130.5 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | trans | -77.6 | 129.2 | -174.5 | -174.8 | -179.2 | -179.4 | -178.2 | 0 | 111.6 | ||||
| 436 | R | 35.1 | Very low | 37.7 | Very low | 228 Ų | 228 | 128.4 Ų | 128.4 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -147.2 | 160.7 | 164.2 | -152.5 | 172.4 | -71.5 | -172.4 | -0.1 | 111.5 | ||||
| 437 | L | 36 | Very low | 38.2 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | trans | -96.9 | 176 | -164 | -105.4 | 68.2 | 0 | 0 | 0 | 115 | ||||
| 438 | L | 39.6 | Very low | 38.2 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -46.6 | 150.9 | -178.4 | -75.9 | 56.5 | 0 | 0 | 0 | 116.3 | ||||
| 439 | G | 32.9 | Very low | 38.9 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -163.6 | 142.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 440 | S | 41.5 | Very low | 40 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -106.3 | 152.2 | -160.9 | -62.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 441 | S | 39.4 | Very low | 41.1 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 58.1 | 107.5 | 143.7 | 58.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 442 | A | 36.2 | Very low | 41.9 | Very low | 110 Ų | 110 | 134 Ų | 134 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | trans | -151.4 | 157.8 | 138.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 443 | S | 36.2 | Very low | 43.2 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | trans | -112.5 | 130.6 | -164.4 | 55.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 444 | S | 32 | Very low | 44.9 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | -163.5 | 144.6 | 148.1 | -152 | 0 | 0 | 0 | 0 | 110.9 | G446 | S444-G446 PolarHBondContact O-N 3.24Š| ||
| 445 | P | 47.2 | Very low | 46.7 | Very low | 135 Ų | 135 | 122 Ų | 122 | 88% | 0.877 | 70% | 0.703 | S | S | * | * | trans | -86.5 | 101.3 | -170.3 | 32.6 | -33.7 | 0 | 0 | 0 | 113.4 | ||||
| 446 | G | 37.2 | Very low | 48.3 | Very low | 68 Ų | 68 | 116.9 Ų | 116.9 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | trans | -120.2 | 106.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S444 Q448 | S444-G446 PolarHBondContact O-N 3.24Å; G446-Q448 PolarHBondContact O-N 2.92Å | ||
| 447 | Y | 48.7 | Very low | 50.4 | Low | 244 Ų | 244 | 112.8 Ų | 112.8 | 96% | 0.957 | 68% | 0.675 | S | S | * | * | trans | 26.6 | 71.3 | 162.1 | -116.9 | -90.8 | 0 | 0 | 0 | 116.9 | S449 | Y447-S449 PolarHBondContact O-N 3.2Š| ||
| 448 | Q | 47 | Very low | 52.4 | Low | 129 Ų | 129 | 113 Ų | 113 | 60% | 0.603 | 67% | 0.666 | S | S | * | * | trans | -70.9 | 116.1 | 177.4 | -164.4 | 172.1 | 24.9 | 0 | 0 | 110.9 | G446 S450 V453 | G446-Q448 PolarHBondContact O-N 2.92Å; Q448-S450 PolarHBondContact O-N 3.05Å; Q448-V453 HydrophobicContact CG-CG2 4.46Å | ||
| 449 | S | 46.1 | Very low | 54.2 | Low | 73 Ų | 73 | 112 Ų | 112 | 51% | 0.51 | 65% | 0.654 | S | S | . | * | trans | -59 | 130.1 | -178.2 | 178 | 0 | 0 | 0 | 0 | 112.1 | Y447 Y451 Q452 | Y447-S449 PolarHBondContact O-N 3.2Å; S449-Y451 PolarHBondContact O-N 2.74Å; S449-Q452 PolarHBondContact O-N 3.44Å | ||
| 450 | S | 56.5 | Low | 56.5 | Low | 104 Ų | 104 | 114.8 Ų | 114.8 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -54.5 | -28.8 | 179.2 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | Q448 Q452 V453 G454 | Q448-S450 PolarHBondContact O-N 3.05Å; S450-Q452 VanDerWaalsContact C-N 3.3Å; S450-Q452 PolarHBondContact O-N 3.26Å; S450-V453 PolarHBondContact O-N 3.12Å; S450-G454 PolarHBondContact O-N 2.75Å; S450-G454 VanDerWaalsContact O-N 3.07Å |
| 451 | Y | 60.2 | Low | 58.2 | Low | 171 Ų | 171 | 111.9 Ų | 111.9 | 67% | 0.671 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -60 | -37.6 | 175.2 | -161.9 | -104.3 | 0 | 0 | 0 | 112.7 | S449 I455 | S449-Y451 PolarHBondContact O-N 2.74Å; Y451-I455 HydrophobicContact CD1-CD1 3.75Å; Y451-I455 HydrophobicContact CE1-CD1 3.57Å; Y451-I455 WeakPolarHBondContact O-CG1 3.39Å; Y451-I455 PolarHBondContact O-N 3.27Å |
| 452 | Q | 60.3 | Low | 60 | Low | 105 Ų | 105 | 108.4 Ų | 108.4 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -77.1 | -37.9 | -179 | -157.8 | -175.2 | 53.3 | 0 | 0 | 111.9 | S449 S450 I455 N456 | S449-Q452 PolarHBondContact O-N 3.44Å; S450-Q452 VanDerWaalsContact C-N 3.3Å; S450-Q452 PolarHBondContact O-N 3.26Å; Q452-I455 PolarHBondContact O-N 2.93Å; Q452-N456 PolarHBondContact O-N 3.23Å |
| 453 | V | 61.6 | Low | 61.9 | Low | 72 Ų | 72 | 112.8 Ų | 112.8 | 44% | 0.436 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.9 | -47.4 | 174.5 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | Q448 S450 I455 N456 Q457 | Q448-V453 HydrophobicContact CG-CG2 4.46Å; S450-V453 PolarHBondContact O-N 3.12Å; V453-I455 VanDerWaalsContact C-N 3.29Å; V453-I455 PolarHBondContact O-N 2.84Å; V453-N456 PolarHBondContact O-N 3.04Å; V453-Q457 WeakPolarHBondContact O-CB 3.35Å; V453-Q457 PolarHBondContact O-N 3.25Å |
| 454 | G | 72.7 | Confident | 63.7 | Low | 18 Ų | 18 | 114 Ų | 114 | 19% | 0.186 | 59% | 0.593 | C | S | . | * | H | α-helix | trans | -64 | -29.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | S450 R458 | S450-G454 PolarHBondContact O-N 2.75Å; S450-G454 VanDerWaalsContact O-N 3.07Å; G454-R458 WeakPolarHBondContact O-CB 3.31Å; G454-R458 VanDerWaalsContact O-CG 3.32Å; G454-R458 WeakPolarHBondContact O-CG 3.48Å; G454-R458 VanDerWaalsContact O-CZ 3.3Å; G454-R458 PolarHBondContact O-N 3.1Å; G454-R458 PolarHBondContact O-NE 3.37Å |
| 455 | I | 72.4 | Confident | 65.7 | Low | 53 Ų | 53 | 115.8 Ų | 115.8 | 27% | 0.272 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.4 | -51.3 | 173.3 | -76.6 | 171.2 | 0 | 0 | 0 | 110.9 | Y451 Q452 V453 Q457 R458 F459 | Y451-I455 HydrophobicContact CD1-CD1 3.75Å; Y451-I455 HydrophobicContact CE1-CD1 3.57Å; Y451-I455 WeakPolarHBondContact O-CG1 3.39Å; Y451-I455 PolarHBondContact O-N 3.27Å; Q452-I455 PolarHBondContact O-N 2.93Å; V453-I455 VanDerWaalsContact C-N 3.29Å; V453-I455 PolarHBondContact O-N 2.84Å; I455-Q457 VanDerWaalsContact C-N 3.33Å; I455-Q457 PolarHBondContact O-N 3.05Å; I455-R458 PolarHBondContact O-N 2.89Å; I455-F459 HydrophobicContact CG2-CD2 3.84Å; I455-F459 HydrophobicContact CG2-CE2 3.98Å; I455-F459 WeakPolarHBondContact O-CD2 3.28Å; I455-F459 PolarHBondContact O-N 3.25Å |
| 456 | N | 75.9 | Confident | 66.6 | Low | 83 Ų | 83 | 116.8 Ų | 116.8 | 44% | 0.444 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.1 | -42.7 | 179.2 | -79.1 | -1.7 | 0 | 0 | 0 | 111.6 | Q452 V453 R458 F459 H460 | Q452-N456 PolarHBondContact O-N 3.23Å; V453-N456 PolarHBondContact O-N 3.04Å; N456-R458 VanDerWaalsContact C-N 3.33Å; N456-R458 PolarHBondContact O-N 3.26Å; N456-F459 PolarHBondContact O-N 3.06Å; N456-F459 VanDerWaalsContact O-N 3.15Å; N456-H460 PolarHBondContact O-CD2 3.38Å; N456-H460 PolarHBondContact O-N 3.04Å |
| 457 | Q | 78.1 | Confident | 68.1 | Low | 142 Ų | 142 | 118.6 Ų | 118.6 | 66% | 0.664 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61 | -39.8 | 177.4 | -167.6 | 177 | 72.2 | 0 | 0 | 112.2 | V453 I455 A461 | V453-Q457 WeakPolarHBondContact O-CB 3.35Å; V453-Q457 PolarHBondContact O-N 3.25Å; I455-Q457 VanDerWaalsContact C-N 3.33Å; I455-Q457 PolarHBondContact O-N 3.05Å; Q457-A461 VanDerWaalsContact O-CB 3.31Å; Q457-A461 WeakPolarHBondContact O-CB 3.41Å; Q457-A461 PolarHBondContact O-N 3.15Å |
| 458 | R | 78.1 | Confident | 68.4 | Low | 152 Ų | 152 | 109.8 Ų | 109.8 | 57% | 0.574 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.7 | -40.3 | 172.7 | -75.9 | -173.9 | -64.3 | -100.3 | 4.9 | 112.8 | G454 I455 N456 A461 A462 | G454-R458 WeakPolarHBondContact O-CB 3.31Å; G454-R458 VanDerWaalsContact O-CG 3.32Å; G454-R458 WeakPolarHBondContact O-CG 3.48Å; G454-R458 VanDerWaalsContact O-CZ 3.3Å; G454-R458 PolarHBondContact O-N 3.1Å; G454-R458 PolarHBondContact O-NE 3.37Å; I455-R458 PolarHBondContact O-N 2.89Å; N456-R458 VanDerWaalsContact C-N 3.33Å; N456-R458 PolarHBondContact O-N 3.26Å; R458-A461 PolarHBondContact O-N 2.86Å; R458-A462 VanDerWaalsContact O-CB 3.32Å; R458-A462 WeakPolarHBondContact O-CB 3.41Å; R458-A462 PolarHBondContact O-N 3.01Å |
| 459 | F | 78.1 | Confident | 68.8 | Low | 149 Ų | 149 | 110 Ų | 110 | 65% | 0.654 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 175.4 | -92.6 | -76.4 | 0 | 0 | 0 | 112.5 | I455 N456 R463 | I455-F459 HydrophobicContact CG2-CD2 3.84Å; I455-F459 HydrophobicContact CG2-CE2 3.98Å; I455-F459 WeakPolarHBondContact O-CD2 3.28Å; I455-F459 PolarHBondContact O-N 3.25Å; N456-F459 PolarHBondContact O-N 3.06Å; N456-F459 VanDerWaalsContact O-N 3.15Å; F459-R463 WeakPolarHBondContact O-CB 3.41Å; F459-R463 PolarHBondContact O-N 3.35Å |
| 460 | H | 80.9 | Confident | 69.1 | Low | 135 Ų | 135 | 108.7 Ų | 108.7 | 63% | 0.625 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65 | -44.5 | 174.9 | -76.7 | -73.7 | 0 | 0 | 0 | 111.8 | N456 A462 R463 H464 | N456-H460 PolarHBondContact O-CD2 3.38Å; N456-H460 PolarHBondContact O-N 3.04Å; H460-A462 PolarHBondContact O-N 3.12Å; H460-R463 PolarHBondContact O-N 3.43Å; H460-H464 WeakPolarHBondContact O-CB 3.27Å; H460-H464 PolarHBondContact O-N 2.86Å |
| 461 | A | 78.1 | Confident | 68.8 | Low | 53 Ų | 53 | 108 Ų | 108 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q457 R458 H464 K465 | Q457-A461 VanDerWaalsContact O-CB 3.31Å; Q457-A461 WeakPolarHBondContact O-CB 3.41Å; Q457-A461 PolarHBondContact O-N 3.15Å; R458-A461 PolarHBondContact O-N 2.86Å; A461-H464 PolarHBondContact O-N 3.36Å; A461-K465 PolarHBondContact O-N 3.35Å |
| 462 | A | 77.6 | Confident | 68.3 | Low | 47 Ų | 47 | 108 Ų | 108 | 39% | 0.388 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R458 H460 H464 K465 F466 | R458-A462 VanDerWaalsContact O-CB 3.32Å; R458-A462 WeakPolarHBondContact O-CB 3.41Å; R458-A462 PolarHBondContact O-N 3.01Å; H460-A462 PolarHBondContact O-N 3.12Å; A462-H464 VanDerWaalsContact C-N 3.3Å; A462-H464 PolarHBondContact O-N 3.47Å; A462-K465 PolarHBondContact O-N 3.48Å; A462-F466 WeakPolarHBondContact O-CD2 3.36Å; A462-F466 PolarHBondContact O-N 3.23Å |
| 463 | R | 75.6 | Confident | 67.8 | Low | 202 Ų | 202 | 110.9 Ų | 110.9 | 76% | 0.762 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.4 | -39.6 | 178.2 | -162.6 | 172 | -168.8 | 155.4 | 2.5 | 111.9 | F459 H460 Q467 | F459-R463 WeakPolarHBondContact O-CB 3.41Å; F459-R463 PolarHBondContact O-N 3.35Å; H460-R463 PolarHBondContact O-N 3.43Å; R463-Q467 WeakPolarHBondContact O-CB 3.41Å; R463-Q467 PolarHBondContact O-N 3.08Å |
| 464 | H | 73.9 | Confident | 67 | Low | 143 Ų | 143 | 115.2 Ų | 115.2 | 66% | 0.662 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.4 | -34.5 | 177.7 | -151.7 | -51.5 | 0 | 0 | 0 | 113 | H460 A461 A462 S468 | H460-H464 WeakPolarHBondContact O-CB 3.27Å; H460-H464 PolarHBondContact O-N 2.86Å; A461-H464 PolarHBondContact O-N 3.36Å; A462-H464 VanDerWaalsContact C-N 3.3Å; A462-H464 PolarHBondContact O-N 3.47Å; H464-S468 PolarHBondContact O-N 2.9Å; H464-S468 PolarHBondContact O-OG 2.84Å; H464-S468 VanDerWaalsContact O-OG 3.12Å |
| 465 | K | 74.6 | Confident | 65.7 | Low | 154 Ų | 154 | 123.4 Ų | 123.4 | 67% | 0.67 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69 | -44.1 | 175 | -81.1 | -171.9 | 171.4 | -66 | 0 | 112.7 | A461 A462 S468 Q469 | A461-K465 PolarHBondContact O-N 3.35Å; A462-K465 PolarHBondContact O-N 3.48Å; K465-S468 WeakPolarHBondContact CA-OG 3.29Å; K465-S468 PolarHBondContact O-N 2.93Å; K465-S468 PolarHBondContact O-OG 3.37Å; K465-Q469 PolarHBondContact O-N 2.88Å |
| 466 | F | 65.5 | Low | 64.1 | Low | 155 Ų | 155 | 125 Ų | 125 | 68% | 0.68 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.5 | -37.3 | 175.7 | -84.6 | -77.9 | 0 | 0 | 0 | 112.4 | A462 Q469 A470 | A462-F466 WeakPolarHBondContact O-CD2 3.36Å; A462-F466 PolarHBondContact O-N 3.23Å; F466-Q469 PolarHBondContact O-N 2.85Å; F466-A470 PolarHBondContact O-N 3.39Å |
| 467 | Q | 69.1 | Low | 62.2 | Low | 106 Ų | 106 | 127.2 Ų | 127.2 | 50% | 0.495 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -63 | -50.1 | 173.9 | -169.6 | 63 | 53.3 | 0 | 0 | 111.6 | R463 Q469 A470 D471 | R463-Q467 WeakPolarHBondContact O-CB 3.41Å; R463-Q467 PolarHBondContact O-N 3.08Å; Q467-Q469 PolarHBondContact O-N 3.1Å; Q467-A470 PolarHBondContact O-N 3.03Å; Q467-D471 PolarHBondContact NE2-OD1 2.84Å; Q467-D471 VanDerWaalsContact O-CG 3.27Å; Q467-D471 PolarHBondContact O-N 3.46Å |
| 468 | S | 54.8 | Low | 60 | Low | 60 Ų | 60 | 123.6 Ų | 123.6 | 42% | 0.42 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -61.8 | -19.8 | 179.2 | 58.8 | 0 | 0 | 0 | 0 | 114.6 | H464 K465 | H464-S468 PolarHBondContact O-N 2.9Å; H464-S468 PolarHBondContact O-OG 2.84Å; H464-S468 VanDerWaalsContact O-OG 3.12Å; K465-S468 WeakPolarHBondContact CA-OG 3.29Å; K465-S468 PolarHBondContact O-N 2.93Å; K465-S468 PolarHBondContact O-OG 3.37Å |
| 469 | Q | 54.2 | Low | 58.3 | Low | 134 Ų | 134 | 124.6 Ų | 124.6 | 63% | 0.626 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -84.7 | -34.3 | 176.3 | -168.8 | 167.3 | -6.3 | 0 | 0 | 111.9 | K465 F466 Q467 | K465-Q469 PolarHBondContact O-N 2.88Å; F466-Q469 PolarHBondContact O-N 2.85Å; Q467-Q469 PolarHBondContact O-N 3.1Å |
| 470 | A | 53.3 | Low | 56.2 | Low | 45 Ų | 45 | 127.1 Ų | 127.1 | 37% | 0.372 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -68.8 | -45 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F466 Q467 Q472 E473 | F466-A470 PolarHBondContact O-N 3.39Å; Q467-A470 PolarHBondContact O-N 3.03Å; A470-Q472 PolarHBondContact O-N 2.93Å; A470-E473 PolarHBondContact O-N 3.35Å; A470-E473 VanDerWaalsContact O-N 3.14Å |
| 471 | D | 50.5 | Low | 54.1 | Low | 89 Ų | 89 | 126 Ų | 126 | 48% | 0.476 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -65.7 | -24.6 | -177.2 | -56.5 | -26.7 | 0 | 0 | 0 | 112.6 | Q467 | Q467-D471 PolarHBondContact NE2-OD1 2.84Å; Q467-D471 VanDerWaalsContact O-CG 3.27Å; Q467-D471 PolarHBondContact O-N 3.46Å |
| 472 | Q | 50.2 | Low | 52.5 | Low | 170 Ų | 170 | 129.3 Ų | 129.3 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -80.9 | -22.9 | 177.2 | -174.6 | 162 | 97.6 | 0 | 0 | 113.3 | A470 Q474 | A470-Q472 PolarHBondContact O-N 2.93Å; Q472-Q474 VanDerWaalsContact C-N 3.33Å |
| 473 | E | 47.9 | Very low | 51.1 | Low | 167 Ų | 167 | 133 Ų | 133 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -83.7 | -9.2 | 179.9 | -162.6 | 163.3 | -155.4 | 0 | 0 | 112.7 | A470 | A470-E473 PolarHBondContact O-N 3.35Å; A470-E473 VanDerWaalsContact O-N 3.14Å |
| 474 | Q | 46.3 | Very low | 49.2 | Very low | 163 Ų | 163 | 129 Ų | 129 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 11.5 | -177.2 | -64.2 | -169.2 | -63.7 | 0 | 0 | 115.4 | Q472 | Q472-Q474 VanDerWaalsContact C-N 3.33Š|
| 475 | Q | 43.9 | Very low | 47.7 | Very low | 189 Ų | 189 | 133.2 Ų | 133.2 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -120.5 | 46.4 | 170.5 | -67.5 | -157.2 | 1.4 | 0 | 0 | 113.8 | ||
| 476 | A | 40.6 | Very low | 45.6 | Very low | 88 Ų | 88 | 132.1 Ų | 132.1 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -132.1 | 142.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 477 | S | 35.8 | Very low | 44.2 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 90% | 0.895 | 73% | 0.728 | S | S | * | * | trans | -50.1 | 152 | -176.7 | -48.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 478 | G | 32.3 | Very low | 42.6 | Very low | 67 Ų | 67 | 131.9 Ų | 131.9 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | cis | 123.6 | 114 | 10.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 479 | L | 40.9 | Very low | 42.1 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | 59.2 | 94.3 | 170.7 | -55.8 | 177.9 | 0 | 0 | 0 | 118.7 | ||||
| 480 | Q | 34.9 | Very low | 41.3 | Very low | 201 Ų | 201 | 134.9 Ų | 134.9 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | -171.9 | 157.2 | 123.1 | -109.2 | 179.3 | -11.1 | 0 | 0 | 113.5 | |||||
| 481 | S | 36.4 | Very low | 40.6 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -93.8 | 150 | 176.3 | -55 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 482 | P | 44.1 | Very low | 40.3 | Very low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -88.5 | 143.6 | -174.6 | 34.1 | -35.3 | 0 | 0 | 0 | 114.3 | ||||
| 483 | P | 48 | Very low | 39.9 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -93.1 | -179.5 | 157 | 36.3 | -31.5 | 0 | 0 | 0 | 112.5 | ||||
| 484 | S | 36 | Very low | 40.2 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -83.9 | 171 | -163.5 | -54.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 485 | R | 42.1 | Very low | 41.2 | Very low | 232 Ų | 232 | 132.5 Ų | 132.5 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | trans | -3.5 | 143 | 152.7 | -72 | 179.3 | 173.4 | 146.8 | -4.1 | 116.8 | ||||
| 486 | D | 31.8 | Very low | 42.1 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | -165.9 | 170.3 | 54.4 | -133.6 | -20.9 | 0 | 0 | 0 | 116.9 | |||||
| 487 | L | 36 | Very low | 43.2 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | 51.7 | 115.8 | 157.4 | -59.1 | -178.1 | 0 | 0 | 0 | 123.8 | ||||
| 488 | S | 35.5 | Very low | 44.9 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | trans | 81.9 | 153.5 | 135.5 | -64.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 489 | P | 44.2 | Very low | 46.8 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -121.5 | 136.5 | -152.1 | 37.6 | -22.3 | 0 | 0 | 0 | 116.3 | ||||
| 490 | T | 35.8 | Very low | 48.4 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 84% | 0.84 | 72% | 0.717 | S | S | * | * | trans | -130.7 | 102.1 | 161.2 | 48.1 | 0 | 0 | 0 | 0 | 112 | I492 | T490-I492 PolarHBondContact O-N 3.2Å; T490-I492 VanDerWaalsContact O-N 3.09Å | ||
| 491 | L | 40 | Very low | 50.3 | Low | 143 Ų | 143 | 120 Ų | 120 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | trans | -20.1 | 93.1 | 170.7 | -165.7 | 126.9 | 0 | 0 | 0 | 116.6 | D493 | L491-D493 HydrophobicContact CD2-CB 3.51Å; L491-D493 HydrophobicContact CG-CB 4.03Å | ||
| 492 | I | 44.4 | Very low | 52.2 | Low | 161 Ų | 161 | 124.2 Ų | 124.2 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | trans | -80.2 | 115.5 | 159.8 | -68 | 174.6 | 0 | 0 | 0 | 107.6 | T490 | T490-I492 PolarHBondContact O-N 3.2Å; T490-I492 VanDerWaalsContact O-N 3.09Å | ||
| 493 | D | 41.6 | Very low | 53.7 | Low | 75 Ų | 75 | 122.5 Ų | 122.5 | 40% | 0.401 | 68% | 0.678 | S | S | . | * | trans | -148.3 | 70.2 | -173.9 | -172.4 | 9.3 | 0 | 0 | 0 | 111.2 | L491 S495 K498 | L491-D493 HydrophobicContact CD2-CB 3.51Å; L491-D493 HydrophobicContact CG-CB 4.03Å; D493-S495 VanDerWaalsContact C-N 3.33Å; D493-S495 PolarHBondContact O-N 3.09Å; D493-S495 VanDerWaalsContact O-N 3.15Å; D493-S495 PolarHBondContact OD1-OG 3.03Å; D493-K498 IonicContact OD2-NZ 2.68Å; D493-K498 PolarHBondContact OD2-NZ 2.92Å | ||
| 494 | N | 53.5 | Low | 55.3 | Low | 161 Ų | 161 | 120.2 Ų | 120.2 | 86% | 0.861 | 66% | 0.662 | S | S | * | * | trans | -81 | 76.9 | 172.9 | -90.2 | -53.1 | 0 | 0 | 0 | 110.4 | ||||
| 495 | S | 68 | Low | 57.4 | Low | 44 Ų | 44 | 118.8 Ų | 118.8 | 31% | 0.308 | 65% | 0.648 | S | S | . | * | trans | -103.8 | 125.9 | 172.3 | 45.8 | 0 | 0 | 0 | 0 | 111.1 | D493 A497 K498 | D493-S495 VanDerWaalsContact C-N 3.33Å; D493-S495 PolarHBondContact O-N 3.09Å; D493-S495 VanDerWaalsContact O-N 3.15Å; D493-S495 PolarHBondContact OD1-OG 3.03Å; S495-A497 PolarHBondContact O-N 3.16Å; S495-K498 WeakPolarHBondContact O-CB 3.37Å; S495-K498 PolarHBondContact O-N 2.85Å | ||
| 496 | A | 62.3 | Low | 59.1 | Low | 78 Ų | 78 | 112 Ų | 112 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -56 | -26.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K498 Q499 L500 | A496-K498 VanDerWaalsContact C-N 3.31Å; A496-K498 PolarHBondContact O-N 3.41Å; A496-Q499 PolarHBondContact O-N 2.9Å; A496-L500 PolarHBondContact O-N 3.48Å |
| 497 | A | 64.8 | Low | 61.1 | Low | 72 Ų | 72 | 110.8 Ų | 110.8 | 60% | 0.595 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -57 | -37.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S495 L500 A501 | S495-A497 PolarHBondContact O-N 3.16Å; A497-L500 PolarHBondContact O-N 3.14Å; A497-A501 WeakPolarHBondContact O-CB 3.43Å; A497-A501 PolarHBondContact O-N 3.41Å |
| 498 | K | 70 | Confident | 63 | Low | 109 Ų | 109 | 107.5 Ų | 107.5 | 47% | 0.474 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.6 | -38 | 175.8 | -82.3 | 174.7 | 167.5 | 169 | 0 | 112.1 | D493 S495 A496 R502 | D493-K498 IonicContact OD2-NZ 2.68Å; D493-K498 PolarHBondContact OD2-NZ 2.92Å; S495-K498 WeakPolarHBondContact O-CB 3.37Å; S495-K498 PolarHBondContact O-N 2.85Å; A496-K498 VanDerWaalsContact C-N 3.31Å; A496-K498 PolarHBondContact O-N 3.41Å; K498-R502 VanDerWaalsContact O-CB 3.32Å; K498-R502 WeakPolarHBondContact O-CB 3.45Å; K498-R502 PolarHBondContact O-N 2.92Å |
| 499 | Q | 73.5 | Confident | 64.8 | Low | 147 Ų | 147 | 107 Ų | 107 | 69% | 0.687 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69 | -40.8 | 174.2 | -90.3 | 175.6 | -31.6 | 0 | 0 | 112 | A496 R502 N503 | A496-Q499 PolarHBondContact O-N 2.9Å; Q499-R502 PolarHBondContact O-N 2.89Å; Q499-N503 WeakPolarHBondContact O-CB 3.44Å; Q499-N503 PolarHBondContact O-N 3.29Å |
| 500 | L | 74.6 | Confident | 66.1 | Low | 122 Ų | 122 | 104.9 Ų | 104.9 | 64% | 0.639 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.1 | -50.8 | 174.7 | -170.3 | 70.3 | 0 | 0 | 0 | 111 | A496 A497 R502 N503 T504 | A496-L500 PolarHBondContact O-N 3.48Å; A497-L500 PolarHBondContact O-N 3.14Å; L500-R502 VanDerWaalsContact C-N 3.34Å; L500-R502 PolarHBondContact O-N 3.33Å; L500-N503 WeakPolarHBondContact O-CB 3.44Å; L500-N503 PolarHBondContact O-N 3.26Å; L500-N503 VanDerWaalsContact O-N 3.13Å; L500-T504 PolarHBondContact O-N 2.91Å; L500-T504 PolarHBondContact O-OG1 2.91Å; L500-T504 VanDerWaalsContact O-OG1 3.14Å |
| 501 | A | 74.6 | Confident | 67.6 | Low | 56 Ų | 56 | 107.8 Ų | 107.8 | 46% | 0.463 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.3 | -43.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A497 N503 T504 V505 | A497-A501 WeakPolarHBondContact O-CB 3.43Å; A497-A501 PolarHBondContact O-N 3.41Å; A501-N503 VanDerWaalsContact C-N 3.33Å; A501-N503 PolarHBondContact O-N 2.92Å; A501-T504 PolarHBondContact O-N 3.22Å; A501-V505 WeakPolarHBondContact O-CG2 3.46Å; A501-V505 PolarHBondContact O-N 3.4Å |
| 502 | R | 76.4 | Confident | 68.5 | Low | 199 Ų | 199 | 109.3 Ų | 109.3 | 75% | 0.751 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66 | -34.1 | 177.3 | -165 | 170.1 | -175.1 | 160.1 | 0.5 | 112.2 | K498 Q499 L500 T506 | K498-R502 VanDerWaalsContact O-CB 3.32Å; K498-R502 WeakPolarHBondContact O-CB 3.45Å; K498-R502 PolarHBondContact O-N 2.92Å; Q499-R502 PolarHBondContact O-N 2.89Å; L500-R502 VanDerWaalsContact C-N 3.34Å; L500-R502 PolarHBondContact O-N 3.33Å; R502-T506 PolarHBondContact O-N 3.39Å; R502-T506 PolarHBondContact O-OG1 3.35Å |
| 503 | N | 74.9 | Confident | 69.1 | Low | 88 Ų | 88 | 106.9 Ų | 106.9 | 47% | 0.471 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.5 | -47 | 173 | -165.6 | -66.8 | 0 | 0 | 0 | 111.3 | Q499 L500 A501 V505 T506 Q507 | Q499-N503 WeakPolarHBondContact O-CB 3.44Å; Q499-N503 PolarHBondContact O-N 3.29Å; L500-N503 WeakPolarHBondContact O-CB 3.44Å; L500-N503 PolarHBondContact O-N 3.26Å; L500-N503 VanDerWaalsContact O-N 3.13Å; A501-N503 VanDerWaalsContact C-N 3.33Å; A501-N503 PolarHBondContact O-N 2.92Å; N503-V505 PolarHBondContact O-N 3.22Å; N503-T506 WeakPolarHBondContact O-CB 3.31Å; N503-T506 PolarHBondContact O-N 2.92Å; N503-T506 VanDerWaalsContact O-N 3.14Å; N503-Q507 PolarHBondContact O-N 2.71Å; N503-Q507 PolarHBondContact OD1-NE2 2.73Å |
| 504 | T | 80.6 | Confident | 69.4 | Low | 76 Ų | 76 | 107.3 Ų | 107.3 | 47% | 0.466 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -57.6 | -46.1 | 176.7 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | L500 A501 T506 Q507 V508 | L500-T504 PolarHBondContact O-N 2.91Å; L500-T504 PolarHBondContact O-OG1 2.91Å; L500-T504 VanDerWaalsContact O-OG1 3.14Å; A501-T504 PolarHBondContact O-N 3.22Å; T504-T506 VanDerWaalsContact C-N 3.33Å; T504-T506 PolarHBondContact O-N 2.94Å; T504-Q507 PolarHBondContact O-N 3.21Å; T504-V508 WeakPolarHBondContact O-CG2 3.45Å; T504-V508 PolarHBondContact O-N 3.33Å |
| 505 | V | 81.6 | Confident | 69.1 | Low | 88 Ų | 88 | 108.5 Ų | 108.5 | 53% | 0.533 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.7 | -41.5 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | A501 N503 V508 L509 | A501-V505 WeakPolarHBondContact O-CG2 3.46Å; A501-V505 PolarHBondContact O-N 3.4Å; N503-V505 PolarHBondContact O-N 3.22Å; V505-V508 PolarHBondContact O-N 3.4Å; V505-L509 HydrophobicContact CG1-CD1 4.26Å; V505-L509 PolarHBondContact O-N 3.34Å |
| 506 | T | 76.6 | Confident | 68.1 | Low | 90 Ų | 90 | 116 Ų | 116 | 55% | 0.552 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.4 | -40 | 175.7 | -58 | 0 | 0 | 0 | 0 | 112.4 | R502 N503 T504 L509 S510 | R502-T506 PolarHBondContact O-N 3.39Å; R502-T506 PolarHBondContact O-OG1 3.35Å; N503-T506 WeakPolarHBondContact O-CB 3.31Å; N503-T506 PolarHBondContact O-N 2.92Å; N503-T506 VanDerWaalsContact O-N 3.14Å; T504-T506 VanDerWaalsContact C-N 3.33Å; T504-T506 PolarHBondContact O-N 2.94Å; T506-L509 PolarHBondContact O-N 3.49Å; T506-S510 WeakPolarHBondContact O-CB 3.35Å; T506-S510 PolarHBondContact O-N 2.95Å |
| 507 | Q | 74.6 | Confident | 66.9 | Low | 105 Ų | 105 | 115.3 Ų | 115.3 | 49% | 0.491 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.8 | -36.8 | 175.1 | -70.5 | -169.6 | 40.8 | 0 | 0 | 112.6 | N503 T504 R511 | N503-Q507 PolarHBondContact O-N 2.71Å; N503-Q507 PolarHBondContact OD1-NE2 2.73Å; T504-Q507 PolarHBondContact O-N 3.21Å; Q507-R511 WeakPolarHBondContact O-CG 3.37Å; Q507-R511 PolarHBondContact O-N 3.46Å |
| 508 | V | 76.8 | Confident | 65.9 | Low | 73 Ų | 73 | 118.5 Ų | 118.5 | 44% | 0.442 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.9 | -48.9 | 174.8 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | T504 V505 S510 R511 F512 | T504-V508 WeakPolarHBondContact O-CG2 3.45Å; T504-V508 PolarHBondContact O-N 3.33Å; V505-V508 PolarHBondContact O-N 3.4Å; V508-S510 VanDerWaalsContact C-N 3.33Å; V508-S510 PolarHBondContact O-N 3.1Å; V508-R511 PolarHBondContact O-N 3.13Å; V508-R511 VanDerWaalsContact O-N 3.16Å; V508-F512 HydrophobicContact CG1-CD2 4.25Å; V508-F512 HydrophobicContact CG1-CE2 4.34Å; V508-F512 WeakPolarHBondContact O-CD2 3.25Å; V508-F512 PolarHBondContact O-N 3Å |
| 509 | L | 72.6 | Confident | 64.6 | Low | 105 Ų | 105 | 121 Ų | 121 | 55% | 0.55 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -59 | -42.6 | 177.1 | -99.3 | 65.2 | 0 | 0 | 0 | 112.3 | V505 T506 R511 F512 T513 | V505-L509 HydrophobicContact CG1-CD1 4.26Å; V505-L509 PolarHBondContact O-N 3.34Å; T506-L509 PolarHBondContact O-N 3.49Å; L509-R511 PolarHBondContact O-N 2.88Å; L509-F512 PolarHBondContact O-N 3.38Å; L509-T513 PolarHBondContact O-N 3.3Å; L509-T513 VanDerWaalsContact O-N 3.12Å; L509-T513 PolarHBondContact O-OG1 3.15Å |
| 510 | S | 71.7 | Confident | 62.8 | Low | 73 Ų | 73 | 123.4 Ų | 123.4 | 51% | 0.51 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -59.6 | -33.1 | 177.9 | -173.3 | 0 | 0 | 0 | 0 | 113.2 | T506 V508 F512 S514 | T506-S510 WeakPolarHBondContact O-CB 3.35Å; T506-S510 PolarHBondContact O-N 2.95Å; V508-S510 VanDerWaalsContact C-N 3.33Å; V508-S510 PolarHBondContact O-N 3.1Å; S510-F512 VanDerWaalsContact C-N 3.32Å; S510-S514 PolarHBondContact O-OG 2.85Å |
| 511 | R | 67.3 | Low | 61.5 | Low | 199 Ų | 199 | 123.6 Ų | 123.6 | 75% | 0.751 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -75.3 | -16.7 | 174.3 | -70.7 | 175.5 | -178.1 | -88.4 | 1.6 | 113.9 | Q507 V508 L509 | Q507-R511 WeakPolarHBondContact O-CG 3.37Å; Q507-R511 PolarHBondContact O-N 3.46Å; V508-R511 PolarHBondContact O-N 3.13Å; V508-R511 VanDerWaalsContact O-N 3.16Å; L509-R511 PolarHBondContact O-N 2.88Å |
| 512 | F | 59.3 | Low | 59.6 | Low | 175 Ų | 175 | 127.2 Ų | 127.2 | 77% | 0.768 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -95.8 | -23.2 | 177.4 | -90.3 | -83 | 0 | 0 | 0 | 113.9 | V508 L509 S510 | V508-F512 HydrophobicContact CG1-CD2 4.25Å; V508-F512 HydrophobicContact CG1-CE2 4.34Å; V508-F512 WeakPolarHBondContact O-CD2 3.25Å; V508-F512 PolarHBondContact O-N 3Å; L509-F512 PolarHBondContact O-N 3.38Å; S510-F512 VanDerWaalsContact C-N 3.32Å |
| 513 | T | 55.9 | Low | 57.5 | Low | 109 Ų | 109 | 123.3 Ų | 123.3 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -92.3 | -6.3 | -178.6 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | L509 Q515 | L509-T513 PolarHBondContact O-N 3.3Å; L509-T513 VanDerWaalsContact O-N 3.12Å; L509-T513 PolarHBondContact O-OG1 3.15Å; T513-Q515 PolarHBondContact O-N 3.32Å |
| 514 | S | 47.8 | Very low | 56 | Low | 84 Ų | 84 | 124.8 Ų | 124.8 | 59% | 0.587 | 70% | 0.695 | S | S | * | * | trans | -95.6 | 29.9 | -167.9 | 41.1 | 0 | 0 | 0 | 0 | 115.6 | S510 | S510-S514 PolarHBondContact O-OG 2.85Š| ||
| 515 | Q | 48.3 | Very low | 53.7 | Low | 186 Ų | 186 | 128.6 Ų | 128.6 | 87% | 0.869 | 71% | 0.713 | S | S | * | * | trans | -137.6 | 106.3 | 163.8 | -74.1 | -163.9 | 98.7 | 0 | 0 | 112.3 | T513 | T513-Q515 PolarHBondContact O-N 3.32Š| ||
| 516 | Q | 45.8 | Very low | 51.5 | Low | 201 Ų | 201 | 130.1 Ų | 130.1 | 94% | 0.939 | 73% | 0.727 | S | S | * | * | trans | -131.3 | 111.5 | 156.8 | -66.9 | -169.2 | 15.7 | 0 | 0 | 108.2 | ||||
| 517 | G | 38.1 | Very low | 50 | Low | 64 Ų | 64 | 130.6 Ų | 130.6 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | trans | -168.7 | 152.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 518 | P | 43.4 | Very low | 48.5 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | trans | -75.5 | 147.7 | -155.9 | 27.1 | -35.1 | 0 | 0 | 0 | 115.7 | ||||
| 519 | I | 42.4 | Very low | 46.5 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | -81.2 | 138 | -172.3 | -60 | 163.9 | 0 | 0 | 0 | 112.1 | ||||
| 520 | K | 36.4 | Very low | 44.7 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | trans | -136.9 | 154.5 | 152.3 | -88.8 | -171.4 | 177.6 | 178.5 | 0 | 110.2 | ||||
| 521 | P | 46 | Very low | 43.1 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -81.7 | 166.9 | -158.5 | 31.3 | -36.9 | 0 | 0 | 0 | 116.2 | ||||
| 522 | V | 34.7 | Very low | 41.6 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -80.1 | 151 | -170.5 | 170.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 523 | S | 33.3 | Very low | 40.4 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -117.5 | 136.3 | 152.2 | -67.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 524 | P | 43.8 | Very low | 39.7 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -87.8 | 170.3 | -173.4 | 35.2 | -36.5 | 0 | 0 | 0 | 114.1 | ||||
| 525 | N | 31.7 | Very low | 39 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | 89.7 | 90.8 | 168.1 | -166.3 | 23.3 | 0 | 0 | 0 | 118.7 | ||||
| 526 | S | 34.6 | Very low | 38.4 | Very low | 119 Ų | 119 | 144 Ų | 144 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | -161.8 | 142.3 | 119.6 | 43.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 527 | S | 45.1 | Very low | 37.8 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -114.4 | 140.3 | -179.2 | -175.4 | 0 | 0 | 0 | 0 | 110 | F529 | S527-F529 PolarHBondContact O-N 3.49Š| ||
| 528 | P | 43 | Very low | 37.4 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -86.6 | 9.4 | -163.7 | 34.6 | -38.1 | 0 | 0 | 0 | 116.2 | ||
| 529 | F | 36.3 | Very low | 36.9 | Very low | 186 Ų | 186 | 143 Ų | 143 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -110 | 99.2 | 179.4 | -73.9 | -82.8 | 0 | 0 | 0 | 111.2 | S527 | S527-F529 PolarHBondContact O-N 3.49Š| ||
| 530 | G | 35 | Very low | 36.5 | Very low | 65 Ų | 65 | 140.1 Ų | 140.1 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | trans | -97.3 | 131.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 531 | T | 37.8 | Very low | 36.2 | Very low | 134 Ų | 134 | 139 Ų | 139 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -152.8 | 81 | 178.4 | 51 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 532 | D | 35.7 | Very low | 35.8 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | trans | -113.1 | 98.4 | -164.7 | -67.1 | 46 | 0 | 0 | 0 | 110.7 | ||||
| 533 | Y | 34.3 | Very low | 35.8 | Very low | 226 Ų | 226 | 143.6 Ų | 143.6 | 89% | 0.886 | 82% | 0.815 | S | S | * | * | trans | -137.9 | 122.4 | 173.4 | -97.8 | -80.6 | 0 | 0 | 0 | 112.8 | ||||
| 534 | R | 41.1 | Very low | 35.6 | Very low | 218 Ų | 218 | 141.4 Ų | 141.4 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | trans | 63.9 | 100.6 | 163.1 | -81 | -171.8 | 165.9 | -133.9 | -1.9 | 120 | ||||
| 535 | N | 32.8 | Very low | 35.1 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | 68.4 | 134.7 | 105.9 | -77.3 | 3.9 | 0 | 0 | 0 | 123.2 | |||||
| 536 | L | 35.9 | Very low | 35.3 | Very low | 159 Ų | 159 | 141 Ų | 141 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | 78.3 | 106.2 | 148 | -66.3 | 159.7 | 0 | 0 | 0 | 119.5 | ||||
| 537 | A | 31.8 | Very low | 35.2 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | -165.6 | 134.3 | 107.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 538 | N | 30.7 | Very low | 35 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | 8.8 | 137.1 | 154.7 | -56 | -1.8 | 0 | 0 | 0 | 122 | ||||
| 539 | T | 31.7 | Very low | 34.6 | Very low | 146 Ų | 146 | 143 Ų | 143 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | -173.9 | 123.6 | 103 | 21.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 540 | A | 34.9 | Very low | 35.5 | Very low | 101 Ų | 101 | 139 Ų | 139 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -173.9 | 138.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 541 | N | 30.9 | Very low | 35.6 | Very low | 173 Ų | 173 | 142 Ų | 142 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -102.4 | 144.3 | 178.8 | -67.9 | -19.1 | 0 | 0 | 0 | 111.5 | ||||
| 542 | A | 36.3 | Very low | 36.1 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -140 | 145.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 543 | R | 34.6 | Very low | 35.9 | Very low | 254 Ų | 254 | 138.1 Ų | 138.1 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | trans | -81.5 | 148.3 | 172.7 | -44 | 173.9 | -163.5 | 167.6 | 4.1 | 107.7 | ||||
| 544 | G | 30.6 | Very low | 36 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | cis | 124.4 | 110 | 0.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 545 | D | 33.3 | Very low | 35.6 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -156.1 | 127 | 167.7 | -126.3 | -35.8 | 0 | 0 | 0 | 113.6 | ||||
| 546 | T | 34.3 | Very low | 35.6 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | 39.7 | 107.4 | 134.2 | -53.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 547 | S | 34.4 | Very low | 35.5 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 62% | 0.622 | 80% | 0.802 | S | S | * | * | 108.2 | 146.6 | 128.6 | 76.6 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 548 | H | 40.1 | Very low | 36.4 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | 76.3 | 141.2 | 163 | -57.8 | -62.2 | 0 | 0 | 0 | 121.6 | ||||
| 549 | S | 33.5 | Very low | 36.5 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -173.9 | 168 | -168.7 | 178.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 550 | P | 56.4 | Low | 36.5 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | cis | -118.4 | -176.2 | -9.2 | 20.2 | 5.4 | 0 | 0 | 0 | 111.6 | ||||
| 551 | T | 37.3 | Very low | 37.2 | Very low | 129 Ų | 129 | 131 Ų | 131 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | 172 | 166.5 | 86.9 | 35 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 552 | P | 46.9 | Very low | 37.4 | Very low | 131 Ų | 131 | 131 Ų | 131 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -125.9 | 166.7 | -162.2 | 42.5 | -29.6 | 0 | 0 | 0 | 118 | ||||
| 553 | G | 32.8 | Very low | 37.4 | Very low | 67 Ų | 67 | 131.4 Ų | 131.4 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -171.1 | 121.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 554 | K | 35.3 | Very low | 37.8 | Very low | 204 Ų | 204 | 125.8 Ų | 125.8 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | 57.5 | 108 | 64.6 | -70 | -170.6 | 176.5 | -178.5 | 0 | 114 | |||||
| 555 | V | 32.7 | Very low | 37.8 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | -167.3 | 174.2 | 100.5 | -86.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 556 | S | 33.1 | Very low | 38.2 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -100.9 | 169.2 | -170 | -52.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 557 | S | 33.8 | Very low | 38.4 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -53.6 | 176.3 | 159.1 | -29.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 558 | P | 51 | Low | 38.6 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | cis | -144.5 | -159.3 | 15.9 | 33 | -6.3 | 0 | 0 | 0 | 116 | ||||
| 559 | L | 32.9 | Very low | 38.9 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | 103.2 | 111.2 | 156.7 | -60.7 | 169.9 | 0 | 0 | 0 | 119.7 | ||||
| 560 | S | 32.1 | Very low | 39.4 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -77.6 | 173.4 | 145.7 | -53.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 561 | P | 49.3 | Very low | 38.9 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | cis | -136 | 174.8 | 10.2 | 43.2 | -27.2 | 0 | 0 | 0 | 116 | ||||
| 562 | L | 34.2 | Very low | 39.1 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | 178.3 | 138.6 | 130.2 | -97.6 | 161.6 | 0 | 0 | 0 | 110.9 | ||||
| 563 | S | 36.2 | Very low | 39.3 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -101.9 | 150 | 165.5 | -55.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 564 | P | 43.8 | Very low | 40.1 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | -149 | 167.2 | 95.4 | 38.5 | -22.9 | 0 | 0 | 0 | 114.6 | |||||
| 565 | G | 30.7 | Very low | 40.6 | Very low | 71 Ų | 71 | 137.9 Ų | 137.9 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 146.7 | 72.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | K567 | G565-K567 PolarHBondContact O-N 3Š| ||
| 566 | I | 42.1 | Very low | 41.6 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -26.9 | 122.9 | 155.3 | 42.5 | 145.9 | 0 | 0 | 0 | 117 | ||||
| 567 | K | 38.5 | Very low | 42.1 | Very low | 207 Ų | 207 | 139.3 Ų | 139.3 | 90% | 0.9 | 80% | 0.801 | S | S | * | * | trans | -152.3 | 131.7 | 145.2 | -63.2 | -166.5 | -176.9 | 178.5 | 0 | 111 | G565 | G565-K567 PolarHBondContact O-N 3Š| ||
| 568 | S | 37.6 | Very low | 42.8 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -91.7 | 146.5 | 170.2 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | T570 | S568-T570 PolarHBondContact O-N 2.92Š| ||
| 569 | P | 47 | Very low | 43.4 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -74.2 | 109.3 | 176.6 | -16.6 | 31.7 | 0 | 0 | 0 | 112.5 | ||||
| 570 | T | 42.8 | Very low | 44.5 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 120.2 | 165.8 | -58.5 | 0 | 0 | 0 | 0 | 109.2 | S568 | S568-T570 PolarHBondContact O-N 2.92Š|
| 571 | I | 47.2 | Very low | 45.7 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 80% | 0.795 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 129.7 | 178.6 | -59 | 176 | 0 | 0 | 0 | 109.8 | ||
| 572 | P | 41.2 | Very low | 46.2 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 141.6 | -179.3 | -23.8 | 35.2 | 0 | 0 | 0 | 114.8 | A574 | P572-A574 PolarHBondContact O-N 3.42Š|
| 573 | R | 51.2 | Low | 47.2 | Very low | 264 Ų | 264 | 138.8 Ų | 138.8 | 100% | 0.996 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 62.6 | 178.1 | -172.5 | -170.8 | 169.6 | 101.5 | -6.5 | 111.8 | ||
| 574 | A | 50.5 | Low | 48.1 | Very low | 89 Ų | 89 | 139.2 Ų | 139.2 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | -14 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | P572 R576 | P572-A574 PolarHBondContact O-N 3.42Å; A574-R576 PolarHBondContact O-N 3.29Å |
| 575 | E | 45.2 | Very low | 48 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -86.8 | 98.9 | 174.1 | -103.5 | -66.1 | 178.4 | 0 | 0 | 110.9 | G577 | E575-G577 PolarHBondContact OE2-N 3Š| ||
| 576 | R | 54.2 | Low | 48.9 | Very low | 240 Ų | 240 | 148.5 Ų | 148.5 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -121.4 | 51.3 | 167.3 | -158.5 | -176.2 | -152.6 | -121.7 | 2.8 | 110.1 | A574 | A574-R576 PolarHBondContact O-N 3.29Š| ||
| 577 | G | 43.5 | Very low | 48.9 | Very low | 57 Ų | 57 | 146.4 Ų | 146.4 | 59% | 0.588 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 145.1 | 169 | 0 | 0 | 0 | 0 | 0 | 112.6 | E575 | E575-G577 PolarHBondContact OE2-N 3Š|
| 578 | N | 46.8 | Very low | 48.9 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 150.9 | -177.3 | -66.4 | -47.2 | 0 | 0 | 0 | 111.8 | ||
| 579 | P | 64.1 | Low | 48.9 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 150.2 | 165.2 | 28.8 | -35 | 0 | 0 | 0 | 110.2 | ||
| 580 | P | 56 | Low | 48.4 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 144.5 | 178.6 | 26.5 | -34.5 | 0 | 0 | 0 | 110.9 | I582 | P580-I582 PolarHBondContact O-N 2.84Š|
| 581 | P | 56.8 | Low | 48.2 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65 | 133.9 | -177 | 26.5 | -34.2 | 0 | 0 | 0 | 111.3 | ||
| 582 | I | 60.4 | Low | 47.3 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 133 | 174.3 | -59.8 | 171.5 | 0 | 0 | 0 | 108.6 | P580 | P580-I582 PolarHBondContact O-N 2.84Š|
| 583 | P | 55 | Low | 47.1 | Very low | 107 Ų | 107 | 141 Ų | 141 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 134 | 177.6 | -26.2 | 34.9 | 0 | 0 | 0 | 111.8 | K585 | P583-K585 PolarHBondContact O-N 3.48Š|
| 584 | P | 56.8 | Low | 46.1 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 129.6 | -178.8 | 25.4 | -33.5 | 0 | 0 | 0 | 110.8 | K586 | P584-K586 PolarHBondContact O-N 2.99Š|
| 585 | K | 41.6 | Very low | 45.2 | Very low | 205 Ų | 205 | 134.6 Ų | 134.6 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 124.3 | 172.9 | -67.8 | -173.9 | 176.3 | -173.7 | 0 | 109 | P583 | P583-K585 PolarHBondContact O-N 3.48Š|
| 586 | K | 48.3 | Very low | 44.6 | Very low | 198 Ų | 198 | 133 Ų | 133 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 132.3 | 174.1 | -71.4 | -172.3 | 176.6 | -176.7 | 0 | 109.9 | P584 | P584-K586 PolarHBondContact O-N 2.99Š|
| 587 | P | 42.3 | Very low | 43.8 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 144.9 | 163.4 | -23.5 | 34.9 | 0 | 0 | 0 | 110.7 | ||
| 588 | G | 38.4 | Very low | 43.5 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 146.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 589 | L | 37.9 | Very low | 42.8 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -124.1 | 113.3 | 164.2 | -88.7 | 168.5 | 0 | 0 | 0 | 109.1 | ||||
| 590 | T | 37.2 | Very low | 41.3 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | 38.2 | 131.9 | 149.1 | 54.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 591 | P | 37.9 | Very low | 40 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 141.4 | 178.6 | 31.2 | -35.8 | 0 | 0 | 0 | 113.1 | ||
| 592 | S | 27.8 | Very low | 38.7 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 140.7 | 156.5 | -180 | 0 | 0 | 0 | 0 | 108.3 | ||
| 593 | P | 36.8 | Very low | 37.2 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 145.6 | -174.3 | 26.6 | -35.1 | 0 | 0 | 0 | 113.3 | ||
| 594 | S | 30.7 | Very low | 36 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 160.3 | 176.3 | -61 | 0 | 0 | 0 | 0 | 113 | ||
| 595 | A | 32 | Very low | 34.8 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 79% | 0.793 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 154.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 596 | T | 32.9 | Very low | 34.2 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 137.3 | 162.8 | 41.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 597 | T | 37.1 | Very low | 33.5 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 151.8 | 169.2 | 42.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 598 | P | 37.7 | Very low | 32.9 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 134.7 | 174.1 | 30.9 | -33.8 | 0 | 0 | 0 | 111.6 | ||
| 599 | L | 32.3 | Very low | 32.6 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -86.8 | 104.1 | 174.5 | -92.8 | 161.7 | 0 | 0 | 0 | 111.3 | ||||
| 600 | T | 30.8 | Very low | 32.2 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | -85.1 | 121.2 | 158.2 | 31.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 601 | K | 30 | Very low | 31.9 | Very low | 193 Ų | 193 | 131.4 Ų | 131.4 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -94 | 126.2 | 172.5 | -72.4 | -177.9 | 177.9 | 179.2 | 0 | 110.8 | ||||
| 602 | T | 29.3 | Very low | 31.6 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | trans | -138.2 | 139.7 | 149.1 | 11.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 603 | H | 29.3 | Very low | 31.8 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | trans | -126.1 | 117.6 | -167.1 | 176 | 92.2 | 0 | 0 | 0 | 109.5 | Q605 | H603-Q605 WeakPolarHBondContact NE2-CG 3.49Å; H603-Q605 PolarHBondContact NE2-NE2 2.91Å | ||
| 604 | S | 30 | Very low | 31.6 | Very low | 124 Ų | 124 | 135 Ų | 135 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -136 | 135.2 | 172 | -70.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 605 | Q | 31.1 | Very low | 31.7 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -97.7 | 142.5 | -171.2 | -64.7 | 168.5 | -18.7 | 0 | 0 | 112 | H603 | H603-Q605 WeakPolarHBondContact NE2-CG 3.49Å; H603-Q605 PolarHBondContact NE2-NE2 2.91Å | ||
| 606 | A | 29 | Very low | 31.8 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | trans | -148.8 | 157.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 607 | A | 32.1 | Very low | 31.6 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -126.5 | -179.7 | -160.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 608 | S | 31 | Very low | 31.5 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 80.8 | 145.6 | 168.1 | -53.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 609 | L | 31.7 | Very low | 31.2 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | cis | -170 | 165.2 | -18.5 | -117.7 | 165.9 | 0 | 0 | 0 | 107.9 | ||||
| 610 | T | 29.9 | Very low | 31.3 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | 63 | 154.8 | 166.5 | 60.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 611 | T | 31.1 | Very low | 31.3 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | cis | -161.8 | 144.3 | -19.8 | 23.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 612 | T | 31.9 | Very low | 31.4 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 69% | 0.687 | 80% | 0.801 | S | S | * | * | trans | 48.3 | 144.1 | 143.8 | 59.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 613 | E | 32.3 | Very low | 31.7 | Very low | 178 Ų | 178 | 129 Ų | 129 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 92.7 | 128 | 139.9 | -83.2 | 162.4 | -171.8 | 0 | 0 | 122.3 | ||||
| 614 | D | 30.5 | Very low | 31.7 | Very low | 148 Ų | 148 | 126.9 Ų | 126.9 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -64.3 | 162.3 | -177.5 | -55.9 | -92.2 | 0 | 0 | 0 | 115.9 | ||||
| 615 | L | 34.9 | Very low | 31.9 | Very low | 182 Ų | 182 | 127.9 Ų | 127.9 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | -167.2 | 159.2 | 110.4 | -103.6 | 161 | 0 | 0 | 0 | 112.5 | |||||
| 616 | A | 32.5 | Very low | 32.1 | Very low | 95 Ų | 95 | 124.2 Ų | 124.2 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -122.5 | 151 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 617 | S | 28.4 | Very low | 32.1 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -166 | 135.2 | 145.6 | -147.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 618 | S | 36.3 | Very low | 32.2 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | 64.2 | 135.5 | 54.2 | -122.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 619 | C | 30 | Very low | 32.7 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | cis | -134.6 | 165.5 | 11.3 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 620 | S | 34.8 | Very low | 32.8 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -73 | 164.7 | 160.8 | -44.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 621 | S | 32.1 | Very low | 33.3 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -155 | 147.1 | 153.8 | -80.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 622 | N | 31.5 | Very low | 33.4 | Very low | 158 Ų | 158 | 134 Ų | 134 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -114 | 175.7 | -165.3 | -129.1 | -7.3 | 0 | 0 | 0 | 113.2 | ||||
| 623 | T | 35.8 | Very low | 34 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | trans | -42.7 | 153.3 | 174.6 | 41.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 624 | V | 30 | Very low | 34.2 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | -179.7 | 126.8 | 116.8 | 148.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 625 | V | 32.5 | Very low | 34.5 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -142.4 | 132.2 | 135.5 | -179.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 626 | A | 35.4 | Very low | 35.7 | Very low | 84 Ų | 84 | 131.7 Ų | 131.7 | 69% | 0.694 | 79% | 0.794 | S | S | * | * | trans | -112.7 | 146.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 627 | N | 30.3 | Very low | 36.2 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -159 | 129.8 | 139.8 | -130.2 | -16.3 | 0 | 0 | 0 | 109.8 | ||||
| 628 | G | 34.5 | Very low | 37.1 | Very low | 65 Ų | 65 | 134.4 Ų | 134.4 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | -119.3 | 153.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 629 | K | 40.9 | Very low | 37.4 | Very low | 198 Ų | 198 | 138.4 Ų | 138.4 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | trans | -144.1 | 161.4 | 163.1 | -72.2 | -157.4 | 174.1 | -168.3 | 0 | 109.6 | ||||
| 630 | D | 34.2 | Very low | 37.8 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 87% | 0.866 | 83% | 0.832 | S | S | * | * | trans | -78.5 | 170.4 | -146.3 | -66.3 | -93 | 0 | 0 | 0 | 118.3 | ||||
| 631 | V | 40 | Very low | 37.9 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 74% | 0.739 | 83% | 0.833 | S | S | * | * | trans | -74.4 | 142.1 | 173 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | L633 | V631-L633 HydrophobicContact CG1-CD1 3.79Š| ||
| 632 | E | 32.9 | Very low | 38.3 | Very low | 178 Ų | 178 | 141.5 Ų | 141.5 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -143.3 | 130 | 145.5 | -160.8 | 162.6 | -146 | 0 | 0 | 110.4 | ||||
| 633 | L | 43.7 | Very low | 38.7 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -92.6 | 131.4 | 167.3 | -80.7 | 80.4 | 0 | 0 | 0 | 108 | V631 | V631-L633 HydrophobicContact CG1-CD1 3.79Š| ||
| 634 | L | 36.6 | Very low | 38.9 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | trans | -159.3 | 126.8 | 151.9 | -113.3 | 160.8 | 0 | 0 | 0 | 113.9 | ||||
| 635 | L | 37.5 | Very low | 39.4 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 83% | 0.827 | 84% | 0.838 | S | S | * | * | trans | -146.8 | 158.4 | 160.5 | -89.4 | 175 | 0 | 0 | 0 | 105.9 | ||||
| 636 | P | 60.9 | Low | 39.9 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 68% | 0.675 | 83% | 0.834 | S | S | * | * | cis | -127.6 | 175 | -13.7 | 40.2 | -27.2 | 0 | 0 | 0 | 112.4 | ||||
| 637 | T | 42.1 | Very low | 40.3 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 91% | 0.908 | 85% | 0.845 | S | S | * | * | trans | -161 | 159.6 | 136.6 | -1.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 638 | S | 47 | Very low | 41.1 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 79% | 0.79 | 84% | 0.842 | S | S | * | * | trans | -88.8 | 143.7 | -176.9 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 639 | S | 43.3 | Very low | 41.7 | Very low | 189 Ų | 189 | 152.7 Ų | 152.7 | 100% | 1.322 | 86% | 0.858 | S | S | * | * | -154.8 | 0 | 121.5 | -170.4 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 639 of 639 residues in 1886.7 ms
(Link to these results)