| 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 | 48.8 | Very low | 51.3 | Low | 253 Ų | 253 | 140 Ų | 140 | 100% | 1.246 | 81% | 0.811 | S | S | * | * | 0 | 118.7 | 0 | -66.6 | 177.4 | 75.6 | 0 | 0 | 107.7 | |||||
| 2 | G | 40.4 | Very low | 52.2 | Low | 80 Ų | 80 | 133.3 Ų | 133.3 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | 156.4 | 63.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G4 | G2-G4 PolarHBondContact O-N 3.46Š| ||
| 3 | S | 42.2 | Very low | 53.1 | Low | 129 Ų | 129 | 134.4 Ų | 134.4 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | -78 | 105.2 | 168.5 | -64.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | G | 43.4 | Very low | 54.1 | Low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 73% | 0.731 | S | S | * | * | trans | -91.4 | 100.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | G2 S6 | G2-G4 PolarHBondContact O-N 3.46Å; G4-S6 PolarHBondContact O-N 3.1Å; G4-S6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | E | 48.7 | Very low | 54.9 | Low | 192 Ų | 192 | 124.7 Ų | 124.7 | 90% | 0.897 | 72% | 0.723 | S | S | * | * | trans | -60.7 | 107.3 | 168.3 | -87.2 | 176.5 | 119.3 | 0 | 0 | 110.1 | T7 | E5-T7 VanDerWaalsContact C-N 3.34Å; E5-T7 PolarHBondContact O-N 3.32Å | ||
| 6 | S | 48.3 | Very low | 55.8 | Low | 120 Ų | 120 | 119.8 Ų | 119.8 | 84% | 0.839 | 69% | 0.693 | S | S | * | * | trans | -72.5 | 91 | 165 | -94.6 | 0 | 0 | 0 | 0 | 109.2 | G4 T8 | G4-S6 PolarHBondContact O-N 3.1Å; G4-S6 VanDerWaalsContact O-N 3.1Å; S6-T8 PolarHBondContact O-N 3.26Å | ||
| 7 | T | 51.9 | Low | 57 | Low | 122 Ų | 122 | 122.4 Ų | 122.4 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | trans | -64.1 | 122.2 | 170.4 | -126.9 | 0 | 0 | 0 | 0 | 109.4 | E5 R9 | E5-T7 VanDerWaalsContact C-N 3.34Å; E5-T7 PolarHBondContact O-N 3.32Å; T7-R9 PolarHBondContact O-N 3.44Å; T7-R9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | T | 53.7 | Low | 57.3 | Low | 127 Ų | 127 | 122.1 Ų | 122.1 | 78% | 0.779 | 70% | 0.695 | S | S | * | * | trans | -69.3 | 107.4 | 174.9 | 43.2 | 0 | 0 | 0 | 0 | 109.1 | S6 K10 | S6-T8 PolarHBondContact O-N 3.26Å; T8-K10 PolarHBondContact O-N 3.46Å; T8-K10 VanDerWaalsContact O-N 3.12Å | ||
| 9 | R | 60.8 | Low | 58 | Low | 191 Ų | 191 | 123.3 Ų | 123.3 | 72% | 0.721 | 70% | 0.699 | S | S | * | * | trans | -63.3 | 115.4 | 177.4 | -65.9 | -176.3 | -176.8 | -170.8 | 1.8 | 108.7 | T7 V11 | T7-R9 PolarHBondContact O-N 3.44Å; T7-R9 VanDerWaalsContact O-N 3.14Å; R9-V11 WeakPolarHBondContact O-CG2 3.39Å; R9-V11 PolarHBondContact O-N 3Å | ||
| 10 | K | 60.9 | Low | 58.3 | Low | 193 Ų | 193 | 124.9 Ų | 124.9 | 84% | 0.839 | 69% | 0.693 | S | S | * | * | trans | -68 | 123.7 | 174.4 | -66 | -170 | 178.3 | -179.8 | 0 | 109 | T8 | T8-K10 PolarHBondContact O-N 3.46Å; T8-K10 VanDerWaalsContact O-N 3.12Å | ||
| 11 | V | 65.5 | Low | 58.5 | Low | 59 Ų | 59 | 123.7 Ų | 123.7 | 36% | 0.358 | 69% | 0.689 | S | S | . | * | trans | -118.3 | 130.8 | -179.9 | -157.4 | 0 | 0 | 0 | 0 | 108 | R9 I23 L24 | R9-V11 WeakPolarHBondContact O-CG2 3.39Å; R9-V11 PolarHBondContact O-N 3Å; V11-I23 HydrophobicContact CB-CG2 4.41Å; V11-I23 HydrophobicContact CG1-CG2 3.22Å; V11-L24 VanDerWaalsContact CG1-O 3.28Å; V11-L24 WeakPolarHBondContact CG1-O 3.42Å | ||
| 12 | S | 61.5 | Low | 59.2 | Low | 60 Ų | 60 | 117.9 Ų | 117.9 | 42% | 0.42 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 132.2 | 179.6 | 41.2 | 0 | 0 | 0 | 0 | 109.3 | L24 | S12-L24 PolarHBondContact N-O 3.1Å; S12-L24 PolarHBondContact O-N 2.99Å; S12-L24 PolarHBondContact OG-O 3.22Å |
| 13 | F | 64.8 | Low | 60.4 | Low | 147 Ų | 147 | 119.8 Ų | 119.8 | 65% | 0.645 | 64% | 0.643 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.1 | 177.1 | -57.6 | -85.1 | 0 | 0 | 0 | 108.9 | V21 I23 | F13-V21 HydrophobicContact CB-CG1 4.39Å; F13-V21 HydrophobicContact CD1-CG1 4.12Å; F13-I23 HydrophobicContact CD1-CG1 4.07Å; F13-I23 HydrophobicContact CE1-CD1 4.26Å; F13-I23 HydrophobicContact CE1-CG1 3.95Å |
| 14 | G | 65.8 | Low | 61.2 | Low | 25 Ų | 25 | 118.4 Ų | 118.4 | 26% | 0.258 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 142.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R22 | G14-R22 PolarHBondContact N-O 3.38Å; G14-R22 PolarHBondContact O-N 3.09Å |
| 15 | V | 67.4 | Low | 61.9 | Low | 99 Ų | 99 | 124.9 Ų | 124.9 | 60% | 0.6 | 63% | 0.627 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.7 | 170.1 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | ||
| 16 | D | 69 | Low | 62.3 | Low | 45 Ų | 45 | 117.6 Ų | 117.6 | 24% | 0.241 | 60% | 0.603 | C | S | . | * | trans | -86.4 | 170.3 | 178.8 | -170.8 | 33.3 | 0 | 0 | 0 | 111.5 | E18 D19 R20 R22 | D16-E18 PolarHBondContact O-N 3.48Å; D16-D19 PolarHBondContact O-N 3.08Å; D16-R20 PolarHBondContact N-O 3.17Å; D16-R22 IonicContact OD2-CZ 3.27Å; D16-R22 IonicContact OD2-NE 2.83Å; D16-R22 PolarHBondContact OD2-NE 2.98Å; D16-R22 IonicContact OD2-NH1 2.79Å; D16-R22 IonicContact OD2-NH2 2.83Å; D16-R22 PolarHBondContact OD2-NH2 3.41Å | ||
| 17 | D | 75.4 | Confident | 62.9 | Low | 165 Ų | 165 | 119.1 Ų | 119.1 | 88% | 0.882 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -10.7 | -177.1 | -63.4 | -33.7 | 0 | 0 | 0 | 114.2 | ||
| 18 | E | 62.3 | Low | 63.2 | Low | 117 Ų | 117 | 123 Ų | 123 | 55% | 0.547 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.3 | 19.6 | 175.8 | -56.2 | 179.1 | 160.1 | 0 | 0 | 113.2 | D16 R20 | D16-E18 PolarHBondContact O-N 3.48Å; E18-R20 HydrophobicContact CB-CG 4.32Å; E18-R20 PolarHBondContact O-N 2.89Å; E18-R20 VanDerWaalsContact O-N 3.12Å; E18-R20 IonicContact OE2-CZ 3.55Å; E18-R20 VanDerWaalsContact OE2-CZ 3.27Å; E18-R20 IonicContact OE2-NE 2.69Å; E18-R20 PolarHBondContact OE2-NE 3.26Å; E18-R20 IonicContact OE2-NH2 3.59Å; E18-R20 PolarHBondContact OE2-NH2 3.44Å |
| 19 | D | 70.6 | Confident | 63.4 | Low | 144 Ų | 144 | 120.7 Ų | 120.7 | 77% | 0.77 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 59.7 | 20 | -179.3 | -69.7 | -40 | 0 | 0 | 0 | 115.3 | D16 | D16-D19 PolarHBondContact O-N 3.08Š|
| 20 | R | 63.7 | Low | 63.6 | Low | 156 Ų | 156 | 114.8 Ų | 114.8 | 59% | 0.589 | 58% | 0.577 | S | S | * | * | trans | -91 | 129.5 | 177.4 | -53.5 | -172.5 | -147.9 | -132.3 | 5.6 | 110.9 | D16 E18 R22 | D16-R20 PolarHBondContact N-O 3.17Å; E18-R20 HydrophobicContact CB-CG 4.32Å; E18-R20 PolarHBondContact O-N 2.89Å; E18-R20 VanDerWaalsContact O-N 3.12Å; E18-R20 IonicContact OE2-CZ 3.55Å; E18-R20 VanDerWaalsContact OE2-CZ 3.27Å; E18-R20 IonicContact OE2-NE 2.69Å; E18-R20 PolarHBondContact OE2-NE 3.26Å; E18-R20 IonicContact OE2-NH2 3.59Å; E18-R20 PolarHBondContact OE2-NH2 3.44Å; R20-R22 PolarHBondContact O-N 2.96Å | ||
| 21 | V | 62.8 | Low | 63.9 | Low | 99 Ų | 99 | 111.9 Ų | 111.9 | 60% | 0.6 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.5 | 115.7 | 176.4 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | F13 | F13-V21 HydrophobicContact CB-CG1 4.39Å; F13-V21 HydrophobicContact CD1-CG1 4.12Å |
| 22 | R | 64.9 | Low | 63.9 | Low | 132 Ų | 132 | 113.8 Ų | 113.8 | 50% | 0.498 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.9 | 175.5 | -63.3 | -176.7 | -177.8 | -163.6 | 0.7 | 110.4 | G14 D16 R20 L24 | G14-R22 PolarHBondContact N-O 3.38Å; G14-R22 PolarHBondContact O-N 3.09Å; D16-R22 IonicContact OD2-CZ 3.27Å; D16-R22 IonicContact OD2-NE 2.83Å; D16-R22 PolarHBondContact OD2-NE 2.98Å; D16-R22 IonicContact OD2-NH1 2.79Å; D16-R22 IonicContact OD2-NH2 2.83Å; D16-R22 PolarHBondContact OD2-NH2 3.41Å; R20-R22 PolarHBondContact O-N 2.96Å; R22-L24 PolarHBondContact O-N 3.26Å |
| 23 | I | 64 | Low | 64.2 | Low | 119 Ų | 119 | 113.3 Ų | 113.3 | 61% | 0.61 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 100.7 | 179.5 | -60.1 | -178.1 | 0 | 0 | 0 | 108.1 | V11 F13 | V11-I23 HydrophobicContact CB-CG2 4.41Å; V11-I23 HydrophobicContact CG1-CG2 3.22Å; F13-I23 HydrophobicContact CD1-CG1 4.07Å; F13-I23 HydrophobicContact CE1-CD1 4.26Å; F13-I23 HydrophobicContact CE1-CG1 3.95Å |
| 24 | L | 59.1 | Low | 64.6 | Low | 101 Ų | 101 | 109.1 Ų | 109.1 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.8 | 180 | -64.2 | 175 | 0 | 0 | 0 | 109.9 | V11 S12 R22 G26 | V11-L24 VanDerWaalsContact CG1-O 3.28Å; V11-L24 WeakPolarHBondContact CG1-O 3.42Å; S12-L24 PolarHBondContact N-O 3.1Å; S12-L24 PolarHBondContact O-N 2.99Å; S12-L24 PolarHBondContact OG-O 3.22Å; R22-L24 PolarHBondContact O-N 3.26Å; L24-G26 VanDerWaalsContact C-N 3.32Å; L24-G26 PolarHBondContact O-N 3.49Å |
| 25 | R | 58.5 | Low | 64.9 | Low | 209 Ų | 209 | 113.8 Ų | 113.8 | 79% | 0.789 | 57% | 0.568 | S | S | * | * | trans | -71 | 90.2 | 167.7 | -76.8 | -162.8 | 158.8 | 119 | 2 | 108.7 | ||||
| 26 | G | 57.1 | Low | 65.3 | Low | 39 Ų | 39 | 116.3 Ų | 116.3 | 40% | 0.402 | 57% | 0.567 | S | S | . | * | trans | -83.7 | 122.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L24 | L24-G26 VanDerWaalsContact C-N 3.32Å; L24-G26 PolarHBondContact O-N 3.49Å | ||
| 27 | I | 60.7 | Low | 65 | Low | 152 Ų | 152 | 119.9 Ų | 119.9 | 78% | 0.779 | 58% | 0.584 | S | S | * | * | trans | -75.9 | 121.3 | 148.1 | -65.3 | 167 | 0 | 0 | 0 | 105.4 | L29 | I27-L29 HydrophobicContact CG2-CD2 4.35Å; I27-L29 PolarHBondContact O-N 2.89Å | ||
| 28 | K | 58.2 | Low | 64.7 | Low | 204 Ų | 204 | 120.7 Ų | 120.7 | 89% | 0.887 | 57% | 0.574 | S | S | * | * | trans | -74.3 | 99.2 | -179.5 | -170.7 | 174.7 | 176.6 | 177.4 | 0 | 109.1 | ||||
| 29 | L | 57.7 | Low | 64.4 | Low | 79 Ų | 79 | 117.9 Ų | 117.9 | 41% | 0.414 | 58% | 0.577 | S | S | . | * | trans | -72 | 141.1 | 169.4 | -58.8 | 179.4 | 0 | 0 | 0 | 108.9 | I27 V33 L34 M37 | I27-L29 HydrophobicContact CG2-CD2 4.35Å; I27-L29 PolarHBondContact O-N 2.89Å; L29-V33 HydrophobicContact CB-CB 4.36Å; L29-V33 HydrophobicContact CB-CG1 4.21Å; L29-V33 HydrophobicContact CD1-CG1 4.22Å; L29-V33 HydrophobicContact CD2-CG1 4.3Å; L29-V33 HydrophobicContact CG-CG1 4.48Å; L29-L34 HydrophobicContact CB-CD2 4.41Å; L29-L34 HydrophobicContact CB-CG 4.27Å; L29-L34 HydrophobicContact CD1-CD2 4.48Å; L29-M37 HydrophobicContact CD1-SD 4.11Å | ||
| 30 | S | 65.8 | Low | 63.7 | Low | 66 Ų | 66 | 116.8 Ų | 116.8 | 46% | 0.462 | 58% | 0.575 | S | S | . | * | trans | -67.8 | 152.8 | 174.9 | 57.2 | 0 | 0 | 0 | 0 | 110.2 | D32 V33 L34 | S30-D32 PolarHBondContact O-N 3.41Å; S30-D32 VanDerWaalsContact O-N 3.08Å; S30-V33 PolarHBondContact O-N 2.93Å; S30-V33 WeakPolarHBondContact OG-CG2 3.42Å; S30-L34 PolarHBondContact O-N 3.09Å | ||
| 31 | E | 67.2 | Low | 62.9 | Low | 132 Ų | 132 | 113.4 Ų | 113.4 | 62% | 0.617 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -50 | -37 | 176 | -167.2 | 62.2 | -159.8 | 0 | 0 | 111.4 | V33 L34 Q35 | E31-V33 PolarHBondContact O-N 3.32Å; E31-L34 PolarHBondContact O-N 2.87Å; E31-Q35 WeakPolarHBondContact O-CB 3.45Å; E31-Q35 PolarHBondContact O-N 2.94Å |
| 32 | D | 64.7 | Low | 62.1 | Low | 100 Ų | 100 | 115.3 Ų | 115.3 | 54% | 0.535 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.9 | -28.5 | 179.9 | -145.7 | 50.6 | 0 | 0 | 0 | 113.7 | S30 R36 | S30-D32 PolarHBondContact O-N 3.41Å; S30-D32 VanDerWaalsContact O-N 3.08Å; D32-R36 PolarHBondContact O-NE 3.36Å; D32-R36 PolarHBondContact O-NH2 3.37Å; D32-R36 IonicContact OD2-CZ 2.9Å; D32-R36 IonicContact OD2-NH1 3.36Å; D32-R36 IonicContact OD2-NH2 3.83Å; D32-R36 PolarHBondContact OD2-NH2 2.93Å |
| 33 | V | 67.7 | Low | 60.9 | Low | 49 Ų | 49 | 116.3 Ų | 116.3 | 30% | 0.297 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -80 | -38.5 | 172.4 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | L29 S30 E31 R36 M37 | L29-V33 HydrophobicContact CB-CB 4.36Å; L29-V33 HydrophobicContact CB-CG1 4.21Å; L29-V33 HydrophobicContact CD1-CG1 4.22Å; L29-V33 HydrophobicContact CD2-CG1 4.3Å; L29-V33 HydrophobicContact CG-CG1 4.48Å; S30-V33 PolarHBondContact O-N 2.93Å; S30-V33 WeakPolarHBondContact OG-CG2 3.42Å; E31-V33 PolarHBondContact O-N 3.32Å; V33-R36 PolarHBondContact O-N 2.9Å; V33-M37 HydrophobicContact CG1-SD 4.22Å; V33-M37 WeakPolarHBondContact O-CG 3.4Å; V33-M37 PolarHBondContact O-N 3.4Å |
| 34 | L | 73.8 | Confident | 59.6 | Low | 59 Ų | 59 | 115.3 Ų | 115.3 | 31% | 0.309 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.1 | -40 | 175.4 | -70 | 169.1 | 0 | 0 | 0 | 111.9 | L29 S30 E31 R36 M37 R38 | L29-L34 HydrophobicContact CB-CD2 4.41Å; L29-L34 HydrophobicContact CB-CG 4.27Å; L29-L34 HydrophobicContact CD1-CD2 4.48Å; S30-L34 PolarHBondContact O-N 3.09Å; E31-L34 PolarHBondContact O-N 2.87Å; L34-R36 PolarHBondContact O-N 3.24Å; L34-M37 PolarHBondContact O-N 2.99Å; L34-R38 WeakPolarHBondContact O-CG 3.33Å; L34-R38 PolarHBondContact O-N 3.47Å |
| 35 | Q | 72.6 | Confident | 58.7 | Low | 123 Ų | 123 | 116.5 Ų | 116.5 | 58% | 0.575 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.5 | -42.1 | 177 | -157.4 | 81.5 | -8.1 | 0 | 0 | 111.5 | E31 R38 G39 | E31-Q35 WeakPolarHBondContact O-CB 3.45Å; E31-Q35 PolarHBondContact O-N 2.94Å; Q35-R38 PolarHBondContact O-N 3.42Å; Q35-G39 PolarHBondContact O-N 2.88Å; Q35-G39 VanDerWaalsContact O-N 3.1Å |
| 36 | R | 74.9 | Confident | 57.6 | Low | 152 Ų | 152 | 115.8 Ų | 115.8 | 57% | 0.574 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.4 | -41 | 175.9 | -85 | -177.9 | -76.1 | -110.8 | -13.3 | 112.4 | D32 V33 L34 G39 V40 | D32-R36 PolarHBondContact O-NE 3.36Å; D32-R36 PolarHBondContact O-NH2 3.37Å; D32-R36 IonicContact OD2-CZ 2.9Å; D32-R36 IonicContact OD2-NH1 3.36Å; D32-R36 IonicContact OD2-NH2 3.83Å; D32-R36 PolarHBondContact OD2-NH2 2.93Å; V33-R36 PolarHBondContact O-N 2.9Å; L34-R36 PolarHBondContact O-N 3.24Å; R36-G39 PolarHBondContact O-N 3.49Å; R36-V40 WeakPolarHBondContact O-CG2 3.19Å; R36-V40 PolarHBondContact O-N 2.99Å |
| 37 | M | 63.8 | Low | 56.3 | Low | 120 Ų | 120 | 119.1 Ų | 119.1 | 59% | 0.591 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.9 | -33.7 | 178.3 | -70.9 | -178.1 | 70.4 | 0 | 0 | 112.7 | L29 V33 L34 G39 | L29-M37 HydrophobicContact CD1-SD 4.11Å; V33-M37 HydrophobicContact CG1-SD 4.22Å; V33-M37 WeakPolarHBondContact O-CG 3.4Å; V33-M37 PolarHBondContact O-N 3.4Å; L34-M37 PolarHBondContact O-N 2.99Å; M37-G39 VanDerWaalsContact C-N 3.33Å |
| 38 | R | 69.1 | Low | 55 | Low | 182 Ų | 182 | 116.9 Ų | 116.9 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.3 | -29.6 | 171.6 | -70.3 | -178.7 | -156 | -119.6 | 8.4 | 112.8 | L34 Q35 V40 | L34-R38 WeakPolarHBondContact O-CG 3.33Å; L34-R38 PolarHBondContact O-N 3.47Å; Q35-R38 PolarHBondContact O-N 3.42Å; R38-V40 VanDerWaalsContact C-N 3.3Å; R38-V40 PolarHBondContact O-N 3.47Å |
| 39 | G | 55.9 | Low | 53.9 | Low | 58 Ų | 58 | 112 Ų | 112 | 60% | 0.598 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.9 | -15.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q35 R36 M37 | Q35-G39 PolarHBondContact O-N 2.88Å; Q35-G39 VanDerWaalsContact O-N 3.1Å; R36-G39 PolarHBondContact O-N 3.49Å; M37-G39 VanDerWaalsContact C-N 3.33Å |
| 40 | V | 55 | Low | 52.7 | Low | 121 Ų | 121 | 113.7 Ų | 113.7 | 73% | 0.733 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -92.4 | -18.3 | -179.2 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | R36 R38 | R36-V40 WeakPolarHBondContact O-CG2 3.19Å; R36-V40 PolarHBondContact O-N 2.99Å; R38-V40 VanDerWaalsContact C-N 3.3Å; R38-V40 PolarHBondContact O-N 3.47Å |
| 41 | A | 48.4 | Very low | 51 | Low | 86 Ų | 86 | 115.4 Ų | 115.4 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -94.5 | 6.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 42 | N | 44.2 | Very low | 49.1 | Very low | 139 Ų | 139 | 115.6 Ų | 115.6 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | trans | -125.5 | 77.7 | 178.1 | -115.4 | 5.8 | 0 | 0 | 0 | 110.9 | ||||
| 43 | I | 41 | Very low | 47.6 | Very low | 153 Ų | 153 | 116.1 Ų | 116.1 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | trans | -121.7 | 100.1 | 160 | -52.7 | 174.1 | 0 | 0 | 0 | 107.7 | ||||
| 44 | P | 35.8 | Very low | 46.2 | Very low | 98 Ų | 98 | 119.7 Ų | 119.7 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 146.4 | 157.4 | -5 | 24.2 | 0 | 0 | 0 | 110 | ||
| 45 | P | 40.2 | Very low | 44.2 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -72 | 150.4 | -178.3 | 32.1 | -33.6 | 0 | 0 | 0 | 111.5 | ||
| 46 | E | 35.5 | Very low | 42.1 | Very low | 194 Ų | 194 | 129 Ų | 129 | 91% | 0.907 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 146.2 | -173.2 | -53.6 | -148.6 | 128.3 | 0 | 0 | 114.7 | ||
| 47 | S | 30.9 | Very low | 40 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -166.6 | 116.2 | 139.6 | 42.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 48 | S | 33.6 | Very low | 38.6 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 49 | 112.9 | 144.8 | 60.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 49 | S | 33.5 | Very low | 36.6 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | 76.4 | 113.5 | 128.9 | 68.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 50 | S | 34.3 | Very low | 35.4 | Very low | 114 Ų | 114 | 129.9 Ų | 129.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | 67.4 | 104.2 | 136.5 | 46.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 51 | A | 29.5 | Very low | 34.3 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -139.6 | 110.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 52 | T | 27.7 | Very low | 33.5 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -64.2 | 141.4 | 160.4 | -44.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 53 | S | 32.5 | Very low | 32.8 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -130 | 139.8 | 161.7 | -81.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 54 | P | 37.8 | Very low | 32.3 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -99.5 | 139.4 | 179.5 | 35.5 | -28.5 | 0 | 0 | 0 | 112.2 | ||||
| 55 | Q | 31.6 | Very low | 32 | Very low | 196 Ų | 196 | 133.3 Ų | 133.3 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -134.5 | 113.5 | 154.9 | -74.7 | -156.5 | -55.3 | 0 | 0 | 111.2 | ||||
| 56 | K | 29.8 | Very low | 31.7 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 79% | 0.787 | 81% | 0.806 | S | S | * | * | trans | 13.8 | 124.7 | 130.2 | -161.2 | -179.5 | -177 | -173.3 | 0 | 118 | ||||
| 57 | E | 29.6 | Very low | 31.5 | Very low | 153 Ų | 153 | 128 Ų | 128 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | -175.4 | 154.5 | 115.6 | -96.6 | -57.5 | 140.8 | 0 | 0 | 111.4 | |||||
| 58 | K | 34.6 | Very low | 31.5 | Very low | 202 Ų | 202 | 128.3 Ų | 128.3 | 88% | 0.878 | 80% | 0.802 | S | S | * | * | trans | -68 | 144.3 | -172.7 | -84.2 | 165.5 | 162.6 | 178.2 | 0 | 113.5 | ||||
| 59 | G | 27.7 | Very low | 31.5 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -171.6 | 121.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 60 | A | 30.5 | Very low | 31.4 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -72.4 | 157.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 61 | S | 31.7 | Very low | 31.2 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | 118.4 | 132.7 | 141.1 | -44.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 62 | R | 30.8 | Very low | 31.6 | Very low | 236 Ų | 236 | 135 Ų | 135 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | 82.5 | 127.3 | 157.4 | -48.4 | -176.7 | 122.5 | 178 | -2.4 | 114.9 | ||||
| 63 | S | 30.6 | Very low | 32.2 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | cis | -168.2 | 145 | -0.3 | -75 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 64 | A | 29.3 | Very low | 33.1 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -167.3 | 68 | 152.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 65 | S | 30.4 | Very low | 32.9 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -84.3 | 105.9 | 160.4 | 41.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 66 | S | 32.9 | Very low | 33 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -122.4 | 125.5 | 166.4 | -64 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 67 | A | 30.9 | Very low | 33.3 | Very low | 96 Ų | 96 | 134 Ų | 134 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | 75.4 | 89.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 68 | S | 32 | Very low | 34.5 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -155 | 104.2 | 134.8 | -65.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 69 | Q | 33.9 | Very low | 35.5 | Very low | 192 Ų | 192 | 128 Ų | 128 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | 92.7 | 110.8 | 87 | -169.5 | 170.2 | 20.5 | 0 | 0 | 112.8 | |||||
| 70 | A | 30.6 | Very low | 36.4 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -172 | 134.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 71 | Q | 30.8 | Very low | 36.8 | Very low | 179 Ų | 179 | 130.4 Ų | 130.4 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | cis | -158.2 | 146 | 46.2 | -68.8 | 171 | -24.8 | 0 | 0 | 110.8 | ||||
| 72 | S | 37.4 | Very low | 37.7 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 32.3 | 143.6 | 146 | 61.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 73 | P | 40.9 | Very low | 38.4 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | -136.2 | 165.4 | 91.4 | 22.9 | -3 | 0 | 0 | 0 | 115.5 | |||||
| 74 | P | 50.3 | Low | 39.4 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | trans | -90.5 | -170 | -179 | 38.6 | -34.7 | 0 | 0 | 0 | 113.1 | ||||
| 75 | H | 33.9 | Very low | 40.4 | Very low | 177 Ų | 177 | 130 Ų | 130 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | trans | 100.3 | 94.8 | 179.1 | -55.2 | -68.1 | 0 | 0 | 0 | 112.9 | ||||
| 76 | R | 33.3 | Very low | 41.6 | Very low | 239 Ų | 239 | 128.6 Ų | 128.6 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | 78.8 | 99.4 | 63.7 | -164.1 | 171.9 | -172.5 | -171.1 | 1.5 | 114.7 | |||||
| 77 | A | 35.8 | Very low | 42.5 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | 67.5 | 162.4 | 144.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 78 | P | 55.4 | Low | 44 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | cis | -135.7 | -153.8 | -0.8 | 40.8 | -20.3 | 0 | 0 | 0 | 111.6 | ||||
| 79 | P | 56.2 | Low | 45.8 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | cis | -123.7 | 162.6 | -39 | 18.8 | 3.5 | 0 | 0 | 0 | 113.8 | ||||
| 80 | S | 46.1 | Very low | 47.8 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | 23.6 | 119.7 | 135.6 | 170.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 81 | S | 40.1 | Very low | 50.1 | Low | 119 Ų | 119 | 126.2 Ų | 126.2 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | -155.9 | 141.5 | 128.1 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 82 | K | 49.6 | Very low | 52.6 | Low | 191 Ų | 191 | 123.5 Ų | 123.5 | 83% | 0.83 | 70% | 0.696 | S | S | * | * | trans | -76.5 | 134.3 | -169.9 | -59.7 | 162.6 | 176.1 | 174.6 | 0 | 111.9 | ||||
| 83 | S | 44.9 | Very low | 54.9 | Low | 87 Ų | 87 | 126 Ų | 126 | 61% | 0.608 | 69% | 0.689 | S | S | * | * | trans | 176.9 | 96.9 | 137.9 | -88.8 | 0 | 0 | 0 | 0 | 110.9 | F87 | S83-F87 WeakPolarHBondContact O-CD2 3.39Š| ||
| 84 | G | 52.2 | Low | 57 | Low | 74 Ų | 74 | 128.2 Ų | 128.2 | 76% | 0.763 | 68% | 0.682 | S | S | * | * | trans | -114.1 | 32.8 | -162.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 85 | K | 50.9 | Low | 58.8 | Low | 191 Ų | 191 | 130.5 Ų | 130.5 | 83% | 0.83 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -131.7 | -19.7 | 175.5 | -71.3 | -171.6 | 178.8 | -178.1 | 0 | 115.9 | ||
| 86 | T | 54.3 | Low | 61.5 | Low | 89 Ų | 89 | 126.9 Ų | 126.9 | 55% | 0.546 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -94.5 | -40.9 | 178.1 | 44.9 | 0 | 0 | 0 | 0 | 112.2 | A88 K89 D90 | T86-A88 PolarHBondContact O-N 3.41Å; T86-K89 PolarHBondContact O-N 2.91Å; T86-D90 PolarHBondContact O-N 3.31Å |
| 87 | F | 52.5 | Low | 64.3 | Low | 140 Ų | 140 | 121 Ų | 121 | 61% | 0.614 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.3 | -37 | -176.4 | -69.8 | -84.5 | 0 | 0 | 0 | 114.8 | S83 K89 D90 E91 | S83-F87 WeakPolarHBondContact O-CD2 3.39Å; F87-K89 VanDerWaalsContact C-N 3.34Å; F87-K89 PolarHBondContact O-N 3.24Å; F87-D90 PolarHBondContact O-N 3.45Å; F87-E91 WeakPolarHBondContact O-CB 3.43Å; F87-E91 PolarHBondContact O-N 3.03Å |
| 88 | A | 63.1 | Low | 66.9 | Low | 62 Ų | 62 | 122.4 Ų | 122.4 | 51% | 0.512 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.2 | -32.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | T86 Q92 | T86-A88 PolarHBondContact O-N 3.41Å; A88-Q92 WeakPolarHBondContact O-CB 3.41Å; A88-Q92 PolarHBondContact O-N 2.93Å; A88-Q92 VanDerWaalsContact O-N 3.1Å |
| 89 | K | 69.1 | Low | 68.7 | Low | 153 Ų | 153 | 122.2 Ų | 122.2 | 67% | 0.665 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.9 | -38.1 | 177.8 | -121.1 | 179.5 | -179 | 177.5 | 0 | 111.6 | T86 F87 R93 | T86-K89 PolarHBondContact O-N 2.91Å; F87-K89 VanDerWaalsContact C-N 3.34Å; F87-K89 PolarHBondContact O-N 3.24Å; K89-R93 WeakPolarHBondContact O-CG 3.29Å; K89-R93 PolarHBondContact O-N 3.44Å; K89-R93 VanDerWaalsContact O-N 3.1Å |
| 90 | D | 75.2 | Confident | 70.6 | Confident | 84 Ų | 84 | 120.9 Ų | 120.9 | 45% | 0.449 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.5 | -37.3 | 176 | -76.6 | -20.9 | 0 | 0 | 0 | 112.2 | T86 F87 R93 R94 | T86-D90 PolarHBondContact O-N 3.31Å; F87-D90 PolarHBondContact O-N 3.45Å; D90-R93 PolarHBondContact O-N 2.9Å; D90-R94 WeakPolarHBondContact O-CG 3.5Å; D90-R94 PolarHBondContact O-N 2.94Å; D90-R94 VanDerWaalsContact O-N 3.08Å |
| 91 | E | 79 | Confident | 72.8 | Confident | 116 Ų | 116 | 120 Ų | 120 | 54% | 0.542 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65 | -42.7 | 174.8 | -161.5 | 174.9 | -176.7 | 0 | 0 | 111.4 | F87 R93 R94 Y95 | F87-E91 WeakPolarHBondContact O-CB 3.43Å; F87-E91 PolarHBondContact O-N 3.03Å; E91-R93 PolarHBondContact O-N 2.69Å; E91-R94 WeakPolarHBondContact O-CB 3.23Å; E91-R94 PolarHBondContact O-N 3.07Å; E91-R94 VanDerWaalsContact O-N 3.17Å; E91-Y95 HydrophobicContact CG-CD2 4.36Å; E91-Y95 HydrophobicContact CG-CE2 4.13Å; E91-Y95 WeakPolarHBondContact O-CD2 3.35Å; E91-Y95 PolarHBondContact O-N 3.29Å; E91-Y95 VanDerWaalsContact O-N 3.09Å |
| 92 | Q | 83.4 | Confident | 75.5 | Confident | 121 Ų | 121 | 119.3 Ų | 119.3 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.3 | -40.6 | 174.9 | -176.1 | 151.3 | -8.1 | 0 | 0 | 113 | A88 R94 Y95 E96 | A88-Q92 WeakPolarHBondContact O-CB 3.41Å; A88-Q92 PolarHBondContact O-N 2.93Å; A88-Q92 VanDerWaalsContact O-N 3.1Å; Q92-R94 VanDerWaalsContact C-N 3.29Å; Q92-R94 PolarHBondContact O-N 3.25Å; Q92-Y95 PolarHBondContact O-N 3.37Å; Q92-E96 PolarHBondContact O-N 3.18Å |
| 93 | R | 85.5 | Confident | 77.6 | Confident | 157 Ų | 157 | 116.7 Ų | 116.7 | 59% | 0.592 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.5 | -37 | 173.1 | -79.4 | 178.7 | 173.1 | -165.8 | -2.7 | 112.5 | K89 D90 E91 Q97 | K89-R93 WeakPolarHBondContact O-CG 3.29Å; K89-R93 PolarHBondContact O-N 3.44Å; K89-R93 VanDerWaalsContact O-N 3.1Å; D90-R93 PolarHBondContact O-N 2.9Å; E91-R93 PolarHBondContact O-N 2.69Å; R93-Q97 WeakPolarHBondContact O-CB 3.47Å; R93-Q97 WeakPolarHBondContact O-CG 3.4Å; R93-Q97 PolarHBondContact O-N 3.4Å |
| 94 | R | 85.6 | Confident | 80.1 | Confident | 171 Ų | 171 | 116.1 Ų | 116.1 | 65% | 0.645 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.3 | -41.1 | 175.5 | -72.3 | 178.7 | -172.4 | -174.1 | 2.9 | 112 | D90 E91 Q92 Q97 Q98 | D90-R94 WeakPolarHBondContact O-CG 3.5Å; D90-R94 PolarHBondContact O-N 2.94Å; D90-R94 VanDerWaalsContact O-N 3.08Å; E91-R94 WeakPolarHBondContact O-CB 3.23Å; E91-R94 PolarHBondContact O-N 3.07Å; E91-R94 VanDerWaalsContact O-N 3.17Å; Q92-R94 VanDerWaalsContact C-N 3.29Å; Q92-R94 PolarHBondContact O-N 3.25Å; R94-Q97 PolarHBondContact O-N 3.47Å; R94-Q98 WeakPolarHBondContact O-CB 3.4Å; R94-Q98 WeakPolarHBondContact O-CG 3.36Å; R94-Q98 PolarHBondContact O-N 3Å |
| 95 | Y | 89.1 | Confident | 82.1 | Confident | 146 Ų | 146 | 120.2 Ų | 120.2 | 57% | 0.573 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.6 | -42.6 | 175.9 | -86.8 | -74.4 | 0 | 0 | 0 | 112.5 | E91 Q92 Q98 Q99 | E91-Y95 HydrophobicContact CG-CD2 4.36Å; E91-Y95 HydrophobicContact CG-CE2 4.13Å; E91-Y95 WeakPolarHBondContact O-CD2 3.35Å; E91-Y95 PolarHBondContact O-N 3.29Å; E91-Y95 VanDerWaalsContact O-N 3.09Å; Q92-Y95 PolarHBondContact O-N 3.37Å; Y95-Q98 PolarHBondContact O-N 3.37Å; Y95-Q99 PolarHBondContact O-N 2.9Å |
| 96 | E | 90.6 | Very high | 84.3 | Confident | 102 Ų | 102 | 116.4 Ų | 116.4 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 175.9 | -73.4 | 171.5 | -175.4 | 0 | 0 | 111.4 | Q92 Q98 Q99 T100 | Q92-E96 PolarHBondContact O-N 3.18Å; E96-Q98 PolarHBondContact O-N 2.87Å; E96-Q99 PolarHBondContact O-N 2.91Å; E96-T100 WeakPolarHBondContact O-CG2 3.29Å; E96-T100 PolarHBondContact O-N 3.41Å; E96-T100 PolarHBondContact O-OG1 2.96Å |
| 97 | Q | 90.8 | Very high | 86.3 | Confident | 116 Ų | 116 | 114.9 Ų | 114.9 | 54% | 0.542 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 173.1 | -74.4 | 171.8 | 8.8 | 0 | 0 | 112.5 | R93 R94 T100 I101 | R93-Q97 WeakPolarHBondContact O-CB 3.47Å; R93-Q97 WeakPolarHBondContact O-CG 3.4Å; R93-Q97 PolarHBondContact O-N 3.4Å; R94-Q97 PolarHBondContact O-N 3.47Å; Q97-T100 WeakPolarHBondContact CA-OG1 3.46Å; Q97-T100 PolarHBondContact O-N 2.9Å; Q97-T100 PolarHBondContact O-OG1 3.44Å; Q97-I101 WeakPolarHBondContact O-CD1 3.3Å; Q97-I101 VanDerWaalsContact O-CG1 3.23Å; Q97-I101 WeakPolarHBondContact O-CG1 3.43Å; Q97-I101 PolarHBondContact O-N 3.14Å; Q97-I101 VanDerWaalsContact O-N 3.09Å |
| 98 | Q | 92.4 | Very high | 88.4 | Confident | 114 Ų | 114 | 112.7 Ų | 112.7 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 174.8 | -76.2 | 178.6 | -10.1 | 0 | 0 | 111.6 | R94 Y95 E96 I101 L102 | R94-Q98 WeakPolarHBondContact O-CB 3.4Å; R94-Q98 WeakPolarHBondContact O-CG 3.36Å; R94-Q98 PolarHBondContact O-N 3Å; Y95-Q98 PolarHBondContact O-N 3.37Å; E96-Q98 PolarHBondContact O-N 2.87Å; Q98-I101 PolarHBondContact O-N 3.37Å; Q98-L102 VanDerWaalsContact O-CG 3.29Å; Q98-L102 WeakPolarHBondContact O-CG 3.37Å; Q98-L102 PolarHBondContact O-N 2.96Å |
| 99 | Q | 92.8 | Very high | 90 | Very high | 114 Ų | 114 | 114.8 Ų | 114.8 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 175.2 | -82.3 | -164.6 | -7.2 | 0 | 0 | 112.7 | Y95 E96 L102 K103 | Y95-Q99 PolarHBondContact O-N 2.9Å; E96-Q99 PolarHBondContact O-N 2.91Å; Q99-L102 PolarHBondContact O-N 3.46Å; Q99-K103 WeakPolarHBondContact O-CB 3.4Å; Q99-K103 VanDerWaalsContact O-CG 3.29Å; Q99-K103 WeakPolarHBondContact O-CG 3.46Å; Q99-K103 PolarHBondContact O-N 3.39Å |
| 100 | T | 94.4 | Very high | 91.3 | Very high | 85 Ų | 85 | 109.2 Ų | 109.2 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 178.7 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | E96 Q97 L102 K103 D104 | E96-T100 WeakPolarHBondContact O-CG2 3.29Å; E96-T100 PolarHBondContact O-N 3.41Å; E96-T100 PolarHBondContact O-OG1 2.96Å; Q97-T100 WeakPolarHBondContact CA-OG1 3.46Å; Q97-T100 PolarHBondContact O-N 2.9Å; Q97-T100 PolarHBondContact O-OG1 3.44Å; T100-L102 VanDerWaalsContact C-N 3.35Å; T100-L102 PolarHBondContact O-N 3.38Å; T100-K103 PolarHBondContact O-N 2.93Å; T100-D104 WeakPolarHBondContact O-CB 3.32Å; T100-D104 PolarHBondContact O-N 3.48Å |
| 101 | I | 93.9 | Very high | 92.4 | Very high | 87 Ų | 87 | 110.6 Ų | 110.6 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 174.5 | -67.6 | 165.1 | 0 | 0 | 0 | 111 | Q97 Q98 R105 | Q97-I101 WeakPolarHBondContact O-CD1 3.3Å; Q97-I101 VanDerWaalsContact O-CG1 3.23Å; Q97-I101 WeakPolarHBondContact O-CG1 3.43Å; Q97-I101 PolarHBondContact O-N 3.14Å; Q97-I101 VanDerWaalsContact O-N 3.09Å; Q98-I101 PolarHBondContact O-N 3.37Å; I101-R105 WeakPolarHBondContact O-CB 3.44Å; I101-R105 VanDerWaalsContact O-CG 3.3Å; I101-R105 WeakPolarHBondContact O-CG 3.4Å; I101-R105 PolarHBondContact O-N 3.5Å |
| 102 | L | 95.5 | Very high | 93.2 | Very high | 106 Ų | 106 | 112.5 Ų | 112.5 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65 | -43.6 | 177.5 | -71.3 | 172.6 | 0 | 0 | 0 | 111.8 | Q98 Q99 T100 R105 L106 | Q98-L102 VanDerWaalsContact O-CG 3.29Å; Q98-L102 WeakPolarHBondContact O-CG 3.37Å; Q98-L102 PolarHBondContact O-N 2.96Å; Q99-L102 PolarHBondContact O-N 3.46Å; T100-L102 VanDerWaalsContact C-N 3.35Å; T100-L102 PolarHBondContact O-N 3.38Å; L102-R105 PolarHBondContact O-N 3.4Å; L102-L106 WeakPolarHBondContact O-CG 3.32Å; L102-L106 PolarHBondContact O-N 3.43Å |
| 103 | K | 95.3 | Very high | 93.8 | Very high | 136 Ų | 136 | 113.3 Ų | 113.3 | 59% | 0.591 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62 | -44.7 | 176.1 | -74.7 | 173.7 | -178.8 | 174 | 0 | 112.1 | Q99 T100 L106 A107 | Q99-K103 WeakPolarHBondContact O-CB 3.4Å; Q99-K103 VanDerWaalsContact O-CG 3.29Å; Q99-K103 WeakPolarHBondContact O-CG 3.46Å; Q99-K103 PolarHBondContact O-N 3.39Å; T100-K103 PolarHBondContact O-N 2.93Å; K103-L106 PolarHBondContact O-N 3.33Å; K103-A107 WeakPolarHBondContact O-CB 3.35Å; K103-A107 PolarHBondContact O-N 3.27Å |
| 104 | D | 95.8 | Very high | 94.3 | Very high | 74 Ų | 74 | 114 Ų | 114 | 40% | 0.396 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 176.6 | 176.4 | 65.2 | 0 | 0 | 0 | 111.9 | T100 L106 A107 K108 | T100-D104 WeakPolarHBondContact O-CB 3.32Å; T100-D104 PolarHBondContact O-N 3.48Å; D104-L106 PolarHBondContact O-N 2.86Å; D104-A107 PolarHBondContact O-N 3.43Å; D104-K108 WeakPolarHBondContact O-CB 3.29Å; D104-K108 WeakPolarHBondContact O-CG 3.33Å; D104-K108 PolarHBondContact O-N 3.38Å; D104-K108 WeakPolarHBondContact OD1-CE 3.33Å; D104-K108 IonicContact OD1-NZ 2.62Å; D104-K108 PolarHBondContact OD1-NZ 2.94Å; D104-K108 VanDerWaalsContact OD2-CE 3.32Å; D104-K108 WeakPolarHBondContact OD2-CE 3.49Å; D104-K108 IonicContact OD2-NZ 3.22Å; D104-K108 PolarHBondContact OD2-NZ 2.95Å |
| 105 | R | 95.6 | Very high | 94.9 | Very high | 160 Ų | 160 | 110.1 Ų | 110.1 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.6 | -42.4 | 175.1 | -77 | -177.5 | 179.8 | -169.7 | 1 | 112.3 | I101 L102 M109 | I101-R105 WeakPolarHBondContact O-CB 3.44Å; I101-R105 VanDerWaalsContact O-CG 3.3Å; I101-R105 WeakPolarHBondContact O-CG 3.4Å; I101-R105 PolarHBondContact O-N 3.5Å; L102-R105 PolarHBondContact O-N 3.4Å; R105-M109 WeakPolarHBondContact O-CG 3.27Å; R105-M109 PolarHBondContact O-N 2.91Å |
| 106 | L | 96.4 | Very high | 95.3 | Very high | 111 Ų | 111 | 105.9 Ų | 105.9 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -44 | 175.4 | -75.8 | 166.8 | 0 | 0 | 0 | 111.8 | L102 K103 D104 K108 M109 A110 | L102-L106 WeakPolarHBondContact O-CG 3.32Å; L102-L106 PolarHBondContact O-N 3.43Å; K103-L106 PolarHBondContact O-N 3.33Å; D104-L106 PolarHBondContact O-N 2.86Å; L106-K108 PolarHBondContact O-N 3.46Å; L106-M109 HydrophobicContact CD2-CE 3.92Å; L106-M109 PolarHBondContact O-N 3.07Å; L106-A110 WeakPolarHBondContact O-CB 3.33Å; L106-A110 PolarHBondContact O-N 2.98Å |
| 107 | A | 96.9 | Very high | 95.6 | Very high | 58 Ų | 58 | 105 Ų | 105 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K103 D104 M109 A110 E111 | K103-A107 WeakPolarHBondContact O-CB 3.35Å; K103-A107 PolarHBondContact O-N 3.27Å; D104-A107 PolarHBondContact O-N 3.43Å; A107-M109 VanDerWaalsContact C-N 3.33Å; A107-M109 PolarHBondContact O-N 3.42Å; A107-A110 PolarHBondContact O-N 2.81Å; A107-E111 PolarHBondContact O-N 3.17Å |
| 108 | K | 96.9 | Very high | 95.9 | Very high | 93 Ų | 93 | 106.2 Ų | 106.2 | 40% | 0.404 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -35.8 | 175.5 | -75.6 | 172.1 | 177.9 | 162.5 | 0 | 113.1 | D104 L106 R112 | D104-K108 WeakPolarHBondContact O-CB 3.29Å; D104-K108 WeakPolarHBondContact O-CG 3.33Å; D104-K108 PolarHBondContact O-N 3.38Å; D104-K108 WeakPolarHBondContact OD1-CE 3.33Å; D104-K108 IonicContact OD1-NZ 2.62Å; D104-K108 PolarHBondContact OD1-NZ 2.94Å; D104-K108 VanDerWaalsContact OD2-CE 3.32Å; D104-K108 WeakPolarHBondContact OD2-CE 3.49Å; D104-K108 IonicContact OD2-NZ 3.22Å; D104-K108 PolarHBondContact OD2-NZ 2.95Å; L106-K108 PolarHBondContact O-N 3.46Å; K108-R112 WeakPolarHBondContact O-CG 3.49Å; K108-R112 PolarHBondContact O-N 3.06Å |
| 109 | M | 96.3 | Very high | 96.2 | Very high | 107 Ų | 107 | 106.3 Ų | 106.3 | 53% | 0.527 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.2 | -43.6 | 173.7 | -72.7 | -171.6 | -62.8 | 0 | 0 | 111.3 | R105 L106 A107 E111 R112 E113 | R105-M109 WeakPolarHBondContact O-CG 3.27Å; R105-M109 PolarHBondContact O-N 2.91Å; L106-M109 HydrophobicContact CD2-CE 3.92Å; L106-M109 PolarHBondContact O-N 3.07Å; A107-M109 VanDerWaalsContact C-N 3.33Å; A107-M109 PolarHBondContact O-N 3.42Å; M109-E111 VanDerWaalsContact C-N 3.32Å; M109-E111 PolarHBondContact O-N 2.92Å; M109-R112 PolarHBondContact O-N 2.94Å; M109-E113 WeakPolarHBondContact O-CB 3.33Å; M109-E113 PolarHBondContact O-N 2.89Å |
| 110 | A | 96.6 | Very high | 96.4 | Very high | 36 Ų | 36 | 106.7 Ų | 106.7 | 30% | 0.298 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -35 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L106 A107 R114 | L106-A110 WeakPolarHBondContact O-CB 3.33Å; L106-A110 PolarHBondContact O-N 2.98Å; A107-A110 PolarHBondContact O-N 2.81Å; A110-R114 VanDerWaalsContact O-CG 3.29Å; A110-R114 WeakPolarHBondContact O-CG 3.43Å; A110-R114 PolarHBondContact O-N 3.19Å; A110-R114 VanDerWaalsContact O-N 3.07Å |
| 111 | E | 96.8 | Very high | 96.5 | Very high | 113 Ų | 113 | 107.6 Ų | 107.6 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -47.4 | 174.3 | -173.4 | 173.3 | -157.1 | 0 | 0 | 111.8 | A107 M109 E113 R114 E115 | A107-E111 PolarHBondContact O-N 3.17Å; M109-E111 VanDerWaalsContact C-N 3.32Å; M109-E111 PolarHBondContact O-N 2.92Å; E111-E113 VanDerWaalsContact C-N 3.29Å; E111-E113 PolarHBondContact O-N 3.05Å; E111-R114 PolarHBondContact O-N 3.14Å; E111-E115 PolarHBondContact O-N 3.11Å |
| 112 | R | 96.5 | Very high | 96.7 | Very high | 156 Ų | 156 | 108.2 Ų | 108.2 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.9 | -39.3 | 175.5 | -72 | -179.5 | -171.3 | 113.7 | -2.1 | 112.4 | K108 M109 E115 A116 | K108-R112 WeakPolarHBondContact O-CG 3.49Å; K108-R112 PolarHBondContact O-N 3.06Å; M109-R112 PolarHBondContact O-N 2.94Å; R112-E115 PolarHBondContact O-N 2.88Å; R112-A116 WeakPolarHBondContact O-CB 3.4Å; R112-A116 PolarHBondContact O-N 3.34Å |
| 113 | E | 96.6 | Very high | 96.8 | Very high | 137 Ų | 137 | 108.9 Ų | 108.9 | 64% | 0.64 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 176.2 | -170.3 | 179.4 | 177.1 | 0 | 0 | 111.3 | M109 E111 E115 A116 V117 | M109-E113 WeakPolarHBondContact O-CB 3.33Å; M109-E113 PolarHBondContact O-N 2.89Å; E111-E113 VanDerWaalsContact C-N 3.29Å; E111-E113 PolarHBondContact O-N 3.05Å; E113-E115 PolarHBondContact O-N 3.04Å; E113-A116 PolarHBondContact O-N 3.5Å; E113-V117 VanDerWaalsContact O-CG2 3.27Å; E113-V117 WeakPolarHBondContact O-CG2 3.13Å; E113-V117 PolarHBondContact O-N 3.26Å |
| 114 | R | 96.7 | Very high | 97 | Very high | 173 Ų | 173 | 105 Ų | 105 | 65% | 0.653 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.3 | -39.9 | 175.5 | -73.4 | 171.8 | -180 | 173.8 | 0.5 | 112.6 | A110 E111 R118 | A110-R114 VanDerWaalsContact O-CG 3.29Å; A110-R114 WeakPolarHBondContact O-CG 3.43Å; A110-R114 PolarHBondContact O-N 3.19Å; A110-R114 VanDerWaalsContact O-N 3.07Å; E111-R114 PolarHBondContact O-N 3.14Å; R114-R118 WeakPolarHBondContact O-CB 3.32Å; R114-R118 WeakPolarHBondContact O-CG 3.42Å; R114-R118 PolarHBondContact O-N 2.97Å |
| 115 | E | 97.1 | Very high | 97 | Very high | 89 Ų | 89 | 106.6 Ų | 106.6 | 42% | 0.416 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 175.4 | -74.6 | -178.3 | 164.2 | 0 | 0 | 112 | E111 R112 E113 V117 R118 E119 | E111-E115 PolarHBondContact O-N 3.11Å; R112-E115 PolarHBondContact O-N 2.88Å; E113-E115 PolarHBondContact O-N 3.04Å; E115-V117 VanDerWaalsContact C-N 3.33Å; E115-V117 PolarHBondContact O-N 3.4Å; E115-R118 PolarHBondContact O-N 2.92Å; E115-R118 VanDerWaalsContact O-N 3.14Å; E115-E119 PolarHBondContact O-N 2.88Å |
| 116 | A | 97.4 | Very high | 97.1 | Very high | 57 Ų | 57 | 101.7 Ų | 101.7 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R112 E113 R118 E119 E120 | R112-A116 WeakPolarHBondContact O-CB 3.4Å; R112-A116 PolarHBondContact O-N 3.34Å; E113-A116 PolarHBondContact O-N 3.5Å; A116-R118 PolarHBondContact O-N 3.49Å; A116-E119 PolarHBondContact O-N 3.09Å; A116-E120 WeakPolarHBondContact O-CB 3.49Å; A116-E120 PolarHBondContact O-N 3Å |
| 117 | V | 97.6 | Very high | 97.2 | Very high | 84 Ų | 84 | 105.2 Ų | 105.2 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 175.8 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | E113 E115 E120 L121 | E113-V117 VanDerWaalsContact O-CG2 3.27Å; E113-V117 WeakPolarHBondContact O-CG2 3.13Å; E113-V117 PolarHBondContact O-N 3.26Å; E115-V117 VanDerWaalsContact C-N 3.33Å; E115-V117 PolarHBondContact O-N 3.4Å; V117-E120 PolarHBondContact O-N 2.77Å; V117-L121 WeakPolarHBondContact O-CB 3.46Å; V117-L121 PolarHBondContact O-N 3.25Å |
| 118 | R | 96.8 | Very high | 97.3 | Very high | 141 Ų | 141 | 108.1 Ų | 108.1 | 53% | 0.532 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 176 | -77.5 | -174.5 | -67.7 | -129.8 | 5.6 | 112.1 | R114 E115 A116 L121 V122 | R114-R118 WeakPolarHBondContact O-CB 3.32Å; R114-R118 WeakPolarHBondContact O-CG 3.42Å; R114-R118 PolarHBondContact O-N 2.97Å; E115-R118 PolarHBondContact O-N 2.92Å; E115-R118 VanDerWaalsContact O-N 3.14Å; A116-R118 PolarHBondContact O-N 3.49Å; R118-L121 PolarHBondContact O-N 3.43Å; R118-V122 WeakPolarHBondContact O-CG2 3.24Å; R118-V122 PolarHBondContact O-N 3.39Å |
| 119 | E | 97.6 | Very high | 97.3 | Very high | 116 Ų | 116 | 111.4 Ų | 111.4 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 176.4 | -74.2 | -169.9 | -176.9 | 0 | 0 | 112.2 | E115 A116 V122 K123 | E115-E119 PolarHBondContact O-N 2.88Å; A116-E119 PolarHBondContact O-N 3.09Å; E119-V122 PolarHBondContact O-N 2.84Å; E119-K123 WeakPolarHBondContact O-CB 3.26Å; E119-K123 VanDerWaalsContact O-CG 3.26Å; E119-K123 WeakPolarHBondContact O-CG 3.45Å; E119-K123 PolarHBondContact O-N 3.06Å; E119-K123 IonicContact OE2-NZ 2.87Å |
| 120 | E | 97.6 | Very high | 97.4 | Very high | 122 Ų | 122 | 111.3 Ų | 111.3 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61 | -47.8 | 175.1 | -170.3 | -172.4 | -176.9 | 0 | 0 | 110.6 | A116 V117 V122 K123 T124 | A116-E120 WeakPolarHBondContact O-CB 3.49Å; A116-E120 PolarHBondContact O-N 3Å; V117-E120 PolarHBondContact O-N 2.77Å; E120-V122 VanDerWaalsContact C-N 3.33Å; E120-V122 PolarHBondContact O-N 3.36Å; E120-K123 WeakPolarHBondContact O-CA 3.25Å; E120-K123 WeakPolarHBondContact O-CB 3.4Å; E120-K123 PolarHBondContact O-N 2.99Å; E120-K123 VanDerWaalsContact O-N 3.07Å; E120-T124 HydrophobicContact CG-CG2 4.47Å; E120-T124 WeakPolarHBondContact O-CG2 3.37Å; E120-T124 PolarHBondContact O-N 2.94Å; E120-T124 PolarHBondContact O-OG1 3.45Å |
| 121 | L | 97.7 | Very high | 97.5 | Very high | 103 Ų | 103 | 115 Ų | 115 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 176.9 | -178.4 | 64.6 | 0 | 0 | 0 | 112.1 | V117 R118 K123 T124 M125 | V117-L121 WeakPolarHBondContact O-CB 3.46Å; V117-L121 PolarHBondContact O-N 3.25Å; R118-L121 PolarHBondContact O-N 3.43Å; L121-K123 VanDerWaalsContact C-N 3.31Å; L121-K123 PolarHBondContact O-N 3.49Å; L121-T124 WeakPolarHBondContact CA-OG1 3.3Å; L121-T124 PolarHBondContact O-N 3.45Å; L121-T124 PolarHBondContact O-OG1 2.88Å; L121-M125 HydrophobicContact CD1-CG 4.12Å; L121-M125 HydrophobicContact CG-CG 4.31Å; L121-M125 VanDerWaalsContact O-CB 3.24Å; L121-M125 WeakPolarHBondContact O-CB 3.36Å; L121-M125 WeakPolarHBondContact O-CG 3.25Å; L121-M125 PolarHBondContact O-N 3.19Å |
| 122 | V | 97.7 | Very high | 97.5 | Very high | 101 Ų | 101 | 112.2 Ų | 112.2 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.5 | -39 | 176.4 | 170.8 | 0 | 0 | 0 | 0 | 111 | R118 E119 E120 S126 | R118-V122 WeakPolarHBondContact O-CG2 3.24Å; R118-V122 PolarHBondContact O-N 3.39Å; E119-V122 PolarHBondContact O-N 2.84Å; E120-V122 VanDerWaalsContact C-N 3.33Å; E120-V122 PolarHBondContact O-N 3.36Å; V122-S126 VanDerWaalsContact O-CB 3.25Å; V122-S126 WeakPolarHBondContact O-CB 3.5Å; V122-S126 PolarHBondContact O-N 3.42Å |
| 123 | K | 98 | Very high | 97.6 | Very high | 120 Ų | 120 | 112 Ų | 112 | 52% | 0.522 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 176.8 | -73.4 | 165.7 | -174 | 161.6 | 0 | 111.6 | E119 E120 L121 S126 R127 | E119-K123 WeakPolarHBondContact O-CB 3.26Å; E119-K123 VanDerWaalsContact O-CG 3.26Å; E119-K123 WeakPolarHBondContact O-CG 3.45Å; E119-K123 PolarHBondContact O-N 3.06Å; E119-K123 IonicContact OE2-NZ 2.87Å; E120-K123 WeakPolarHBondContact O-CA 3.25Å; E120-K123 WeakPolarHBondContact O-CB 3.4Å; E120-K123 PolarHBondContact O-N 2.99Å; E120-K123 VanDerWaalsContact O-N 3.07Å; L121-K123 VanDerWaalsContact C-N 3.31Å; L121-K123 PolarHBondContact O-N 3.49Å; K123-S126 PolarHBondContact O-N 3.44Å; K123-R127 WeakPolarHBondContact O-CG 3.45Å; K123-R127 PolarHBondContact O-N 2.99Å; K123-R127 VanDerWaalsContact O-N 3.14Å |
| 124 | T | 98.1 | Very high | 97.7 | Very high | 55 Ų | 55 | 111.8 Ų | 111.8 | 34% | 0.337 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.1 | -48.5 | 177.7 | 56.6 | 0 | 0 | 0 | 0 | 111 | E120 L121 S126 R127 E128 | E120-T124 HydrophobicContact CG-CG2 4.47Å; E120-T124 WeakPolarHBondContact O-CG2 3.37Å; E120-T124 PolarHBondContact O-N 2.94Å; E120-T124 PolarHBondContact O-OG1 3.45Å; L121-T124 WeakPolarHBondContact CA-OG1 3.3Å; L121-T124 PolarHBondContact O-N 3.45Å; L121-T124 PolarHBondContact O-OG1 2.88Å; T124-S126 VanDerWaalsContact C-N 3.28Å; T124-S126 PolarHBondContact O-N 3.31Å; T124-R127 WeakPolarHBondContact O-CB 3.28Å; T124-R127 PolarHBondContact O-N 3.22Å; T124-E128 PolarHBondContact O-N 2.9Å |
| 125 | M | 97.3 | Very high | 97.8 | Very high | 107 Ų | 107 | 108.6 Ų | 108.6 | 53% | 0.527 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.6 | -39.2 | 176.2 | -73.2 | -65.6 | -59.3 | 0 | 0 | 112.6 | L121 R129 | L121-M125 HydrophobicContact CD1-CG 4.12Å; L121-M125 HydrophobicContact CG-CG 4.31Å; L121-M125 VanDerWaalsContact O-CB 3.24Å; L121-M125 WeakPolarHBondContact O-CB 3.36Å; L121-M125 WeakPolarHBondContact O-CG 3.25Å; L121-M125 PolarHBondContact O-N 3.19Å; M125-R129 VanDerWaalsContact O-CB 3.32Å; M125-R129 WeakPolarHBondContact O-CB 3.45Å; M125-R129 PolarHBondContact O-N 2.98Å |
| 126 | S | 97.5 | Very high | 97.8 | Very high | 57 Ų | 57 | 106.5 Ų | 106.5 | 40% | 0.399 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | V122 K123 T124 R129 Q130 | V122-S126 VanDerWaalsContact O-CB 3.25Å; V122-S126 WeakPolarHBondContact O-CB 3.5Å; V122-S126 PolarHBondContact O-N 3.42Å; K123-S126 PolarHBondContact O-N 3.44Å; T124-S126 VanDerWaalsContact C-N 3.28Å; T124-S126 PolarHBondContact O-N 3.31Å; S126-R129 PolarHBondContact O-N 3.33Å; S126-Q130 WeakPolarHBondContact O-CG 3.48Å; S126-Q130 PolarHBondContact O-N 2.69Å |
| 127 | R | 98 | Very high | 97.9 | Very high | 184 Ų | 184 | 109.1 Ų | 109.1 | 69% | 0.694 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.5 | -46.7 | 176.7 | -71.8 | 174.4 | 176.4 | -177 | -0.5 | 111.7 | K123 T124 R129 Q130 Q131 | K123-R127 WeakPolarHBondContact O-CG 3.45Å; K123-R127 PolarHBondContact O-N 2.99Å; K123-R127 VanDerWaalsContact O-N 3.14Å; T124-R127 WeakPolarHBondContact O-CB 3.28Å; T124-R127 PolarHBondContact O-N 3.22Å; R127-R129 VanDerWaalsContact C-N 3.32Å; R127-R129 PolarHBondContact O-N 3.47Å; R127-Q130 PolarHBondContact O-N 3.32Å; R127-Q131 PolarHBondContact O-N 2.99Å |
| 128 | E | 97.9 | Very high | 97.9 | Very high | 119 Ų | 119 | 111.7 Ų | 111.7 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.9 | -44.2 | 176.3 | -73.1 | -177.6 | 171.9 | 0 | 0 | 111.4 | T124 Q130 Q131 A132 | T124-E128 PolarHBondContact O-N 2.9Å; E128-Q130 VanDerWaalsContact C-N 3.32Å; E128-Q130 PolarHBondContact O-N 3.39Å; E128-Q131 PolarHBondContact O-N 3.49Å; E128-Q131 VanDerWaalsContact O-N 3.17Å; E128-A132 WeakPolarHBondContact O-CB 3.31Å; E128-A132 PolarHBondContact O-N 3.47Å |
| 129 | R | 98.1 | Very high | 98 | Very high | 163 Ų | 163 | 107.7 Ų | 107.7 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.8 | -38.5 | 177.6 | -167.8 | 176.3 | -171.8 | -174.5 | 1.2 | 112.4 | M125 S126 R127 R133 | M125-R129 VanDerWaalsContact O-CB 3.32Å; M125-R129 WeakPolarHBondContact O-CB 3.45Å; M125-R129 PolarHBondContact O-N 2.98Å; S126-R129 PolarHBondContact O-N 3.33Å; R127-R129 VanDerWaalsContact C-N 3.32Å; R127-R129 PolarHBondContact O-N 3.47Å; R129-R133 VanDerWaalsContact O-CG 3.3Å; R129-R133 WeakPolarHBondContact O-CG 3.4Å; R129-R133 PolarHBondContact O-N 3.36Å; R129-R133 VanDerWaalsContact O-N 3.11Å |
| 130 | Q | 97.9 | Very high | 98 | Very high | 105 Ų | 105 | 107.5 Ų | 107.5 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 174.9 | -71.6 | 177.1 | 14.4 | 0 | 0 | 111.7 | S126 R127 E128 R133 K134 | S126-Q130 WeakPolarHBondContact O-CG 3.48Å; S126-Q130 PolarHBondContact O-N 2.69Å; R127-Q130 PolarHBondContact O-N 3.32Å; E128-Q130 VanDerWaalsContact C-N 3.32Å; E128-Q130 PolarHBondContact O-N 3.39Å; Q130-R133 PolarHBondContact O-N 3.46Å; Q130-K134 WeakPolarHBondContact O-CG 3.32Å; Q130-K134 PolarHBondContact O-N 3.04Å; Q130-K134 VanDerWaalsContact O-N 3.09Å |
| 131 | Q | 98.2 | Very high | 98.1 | Very high | 114 Ų | 114 | 107.1 Ų | 107.1 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 176.4 | -178.2 | 165.8 | -13.3 | 0 | 0 | 111.4 | R127 E128 R133 K134 E135 | R127-Q131 PolarHBondContact O-N 2.99Å; E128-Q131 PolarHBondContact O-N 3.49Å; E128-Q131 VanDerWaalsContact O-N 3.17Å; Q131-R133 VanDerWaalsContact C-N 3.26Å; Q131-R133 PolarHBondContact O-N 2.93Å; Q131-K134 WeakPolarHBondContact O-CB 3.31Å; Q131-K134 PolarHBondContact O-N 3.46Å; Q131-E135 HydrophobicContact CG-CG 4.45Å; Q131-E135 VanDerWaalsContact CG-OE1 3.25Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.39Å; Q131-E135 PolarHBondContact NE2-OE1 2.82Å; Q131-E135 WeakPolarHBondContact O-CG 3.33Å; Q131-E135 PolarHBondContact O-N 3.46Å |
| 132 | A | 98.3 | Very high | 98.1 | Very high | 54 Ų | 54 | 107 Ų | 107 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.5 | -37.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E128 E135 A136 | E128-A132 WeakPolarHBondContact O-CB 3.31Å; E128-A132 PolarHBondContact O-N 3.47Å; A132-E135 PolarHBondContact O-N 3.28Å; A132-A136 VanDerWaalsContact O-CB 3.28Å; A132-A136 WeakPolarHBondContact O-CB 3.41Å; A132-A136 PolarHBondContact O-N 3.27Å |
| 133 | R | 98.1 | Very high | 98.2 | Very high | 150 Ų | 150 | 104.9 Ų | 104.9 | 57% | 0.566 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65 | -44.8 | 173.8 | -75 | 174.2 | -179.3 | -170.4 | 0.1 | 112.3 | R129 Q130 Q131 E135 A136 E137 | R129-R133 VanDerWaalsContact O-CG 3.3Å; R129-R133 WeakPolarHBondContact O-CG 3.4Å; R129-R133 PolarHBondContact O-N 3.36Å; R129-R133 VanDerWaalsContact O-N 3.11Å; Q130-R133 PolarHBondContact O-N 3.46Å; Q131-R133 VanDerWaalsContact C-N 3.26Å; Q131-R133 PolarHBondContact O-N 2.93Å; R133-E135 VanDerWaalsContact C-N 3.32Å; R133-E135 PolarHBondContact O-N 2.99Å; R133-A136 PolarHBondContact O-N 3.27Å; R133-E137 WeakPolarHBondContact O-CG 3.5Å; R133-E137 PolarHBondContact O-N 2.88Å |
| 134 | K | 98.3 | Very high | 98.2 | Very high | 134 Ų | 134 | 104.5 Ų | 104.5 | 58% | 0.583 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 177.3 | -70.4 | 173.4 | -177.8 | 179 | 0 | 111.3 | Q130 Q131 K138 | Q130-K134 WeakPolarHBondContact O-CG 3.32Å; Q130-K134 PolarHBondContact O-N 3.04Å; Q130-K134 VanDerWaalsContact O-N 3.09Å; Q131-K134 WeakPolarHBondContact O-CB 3.31Å; Q131-K134 PolarHBondContact O-N 3.46Å; K134-K138 VanDerWaalsContact O-CG 3.31Å; K134-K138 WeakPolarHBondContact O-CG 3.39Å; K134-K138 PolarHBondContact O-N 3Å |
| 135 | E | 98.1 | Very high | 98.2 | Very high | 106 Ų | 106 | 106.4 Ų | 106.4 | 50% | 0.495 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 176.7 | -71.5 | 172.5 | -170.3 | 0 | 0 | 111.6 | Q131 A132 R133 E137 K138 A139 | Q131-E135 HydrophobicContact CG-CG 4.45Å; Q131-E135 VanDerWaalsContact CG-OE1 3.25Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.39Å; Q131-E135 PolarHBondContact NE2-OE1 2.82Å; Q131-E135 WeakPolarHBondContact O-CG 3.33Å; Q131-E135 PolarHBondContact O-N 3.46Å; A132-E135 PolarHBondContact O-N 3.28Å; R133-E135 VanDerWaalsContact C-N 3.32Å; R133-E135 PolarHBondContact O-N 2.99Å; E135-E137 PolarHBondContact O-N 2.94Å; E135-K138 PolarHBondContact O-N 3.1Å; E135-A139 VanDerWaalsContact O-CB 3.31Å; E135-A139 WeakPolarHBondContact O-CB 3.28Å; E135-A139 PolarHBondContact O-N 3.04Å |
| 136 | A | 98.4 | Very high | 98.3 | Very high | 45 Ų | 45 | 106.5 Ų | 106.5 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A132 R133 A139 K140 | A132-A136 VanDerWaalsContact O-CB 3.28Å; A132-A136 WeakPolarHBondContact O-CB 3.41Å; A132-A136 PolarHBondContact O-N 3.27Å; R133-A136 PolarHBondContact O-N 3.27Å; A136-A139 PolarHBondContact O-N 3.08Å; A136-K140 WeakPolarHBondContact O-CG 3.43Å; A136-K140 PolarHBondContact O-N 3.21Å |
| 137 | E | 98.3 | Very high | 98.3 | Very high | 111 Ų | 111 | 110.4 Ų | 110.4 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 176.1 | -69.1 | -55.9 | 129.4 | 0 | 0 | 111.8 | R133 E135 A139 K140 E141 | R133-E137 WeakPolarHBondContact O-CG 3.5Å; R133-E137 PolarHBondContact O-N 2.88Å; E135-E137 PolarHBondContact O-N 2.94Å; E137-A139 VanDerWaalsContact C-N 3.33Å; E137-A139 PolarHBondContact O-N 2.79Å; E137-K140 WeakPolarHBondContact O-CB 3.41Å; E137-K140 PolarHBondContact O-N 2.87Å; E137-K140 IonicContact OE1-NZ 3.45Å; E137-K140 PolarHBondContact OE1-NZ 3.26Å; E137-E141 PolarHBondContact O-N 3.39Å |
| 138 | K | 98.6 | Very high | 98.4 | Very high | 138 Ų | 138 | 108 Ų | 108 | 60% | 0.6 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.4 | -41.9 | 173 | -72.7 | 176.5 | -179.3 | -174.4 | 0 | 112.1 | K134 E135 K140 E141 L142 | K134-K138 VanDerWaalsContact O-CG 3.31Å; K134-K138 WeakPolarHBondContact O-CG 3.39Å; K134-K138 PolarHBondContact O-N 3Å; E135-K138 PolarHBondContact O-N 3.1Å; K138-K140 VanDerWaalsContact C-N 3.35Å; K138-E141 PolarHBondContact O-N 3.1Å; K138-L142 WeakPolarHBondContact O-CG 3.39Å; K138-L142 PolarHBondContact O-N 3.08Å |
| 139 | A | 98.5 | Very high | 98.4 | Very high | 57 Ų | 57 | 108.5 Ų | 108.5 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E135 A136 E137 A143 | E135-A139 VanDerWaalsContact O-CB 3.31Å; E135-A139 WeakPolarHBondContact O-CB 3.28Å; E135-A139 PolarHBondContact O-N 3.04Å; A136-A139 PolarHBondContact O-N 3.08Å; E137-A139 VanDerWaalsContact C-N 3.33Å; E137-A139 PolarHBondContact O-N 2.79Å; A139-A143 WeakPolarHBondContact O-CB 3.37Å; A139-A143 PolarHBondContact O-N 3.07Å |
| 140 | K | 98.6 | Very high | 98.4 | Very high | 113 Ų | 113 | 104.9 Ų | 104.9 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 173.9 | -73.1 | 172.8 | -172.7 | 171 | 0 | 112 | A136 E137 K138 A143 Q144 | A136-K140 WeakPolarHBondContact O-CG 3.43Å; A136-K140 PolarHBondContact O-N 3.21Å; E137-K140 WeakPolarHBondContact O-CB 3.41Å; E137-K140 PolarHBondContact O-N 2.87Å; E137-K140 IonicContact OE1-NZ 3.45Å; E137-K140 PolarHBondContact OE1-NZ 3.26Å; K138-K140 VanDerWaalsContact C-N 3.35Å; K140-A143 PolarHBondContact O-N 3.36Å; K140-Q144 WeakPolarHBondContact O-CG 3.46Å; K140-Q144 PolarHBondContact O-N 3.1Å |
| 141 | E | 98.4 | Very high | 98.5 | Very high | 114 Ų | 114 | 103.1 Ų | 103.1 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 178.6 | -171.9 | -178.6 | 172.5 | 0 | 0 | 111.3 | E137 K138 A143 Q144 Q145 | E137-E141 PolarHBondContact O-N 3.39Å; K138-E141 PolarHBondContact O-N 3.1Å; E141-A143 VanDerWaalsContact C-N 3.34Å; E141-A143 PolarHBondContact O-N 3.46Å; E141-Q144 PolarHBondContact O-N 3.48Å; E141-Q145 WeakPolarHBondContact O-CG 3.25Å; E141-Q145 PolarHBondContact O-N 3.47Å |
| 142 | L | 98.6 | Very high | 98.5 | Very high | 101 Ų | 101 | 103.1 Ų | 103.1 | 53% | 0.529 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 175.7 | -72.2 | 169.1 | 0 | 0 | 0 | 111.8 | K138 Q144 Q145 L146 | K138-L142 WeakPolarHBondContact O-CG 3.39Å; K138-L142 PolarHBondContact O-N 3.08Å; L142-Q144 VanDerWaalsContact C-N 3.32Å; L142-Q144 PolarHBondContact O-N 3.23Å; L142-Q145 PolarHBondContact O-N 3.36Å; L142-L146 WeakPolarHBondContact O-CG 3.27Å; L142-L146 PolarHBondContact O-N 2.9Å |
| 143 | A | 98.6 | Very high | 98.5 | Very high | 55 Ų | 55 | 105.9 Ų | 105.9 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A139 K140 E141 L146 Q147 | A139-A143 WeakPolarHBondContact O-CB 3.37Å; A139-A143 PolarHBondContact O-N 3.07Å; K140-A143 PolarHBondContact O-N 3.36Å; E141-A143 VanDerWaalsContact C-N 3.34Å; E141-A143 PolarHBondContact O-N 3.46Å; A143-L146 PolarHBondContact O-N 3.48Å; A143-Q147 WeakPolarHBondContact O-CB 3.49Å; A143-Q147 PolarHBondContact O-N 3.32Å |
| 144 | Q | 98.6 | Very high | 98.5 | Very high | 112 Ų | 112 | 106 Ų | 106 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 174.9 | -70.7 | 177.8 | 6.9 | 0 | 0 | 112.2 | K140 E141 L142 Q147 K148 | K140-Q144 WeakPolarHBondContact O-CG 3.46Å; K140-Q144 PolarHBondContact O-N 3.1Å; E141-Q144 PolarHBondContact O-N 3.48Å; L142-Q144 VanDerWaalsContact C-N 3.32Å; L142-Q144 PolarHBondContact O-N 3.23Å; Q144-Q147 PolarHBondContact O-N 3.47Å; Q144-K148 WeakPolarHBondContact O-CG 3.42Å; Q144-K148 PolarHBondContact O-N 2.99Å |
| 145 | Q | 98.6 | Very high | 98.5 | Very high | 95 Ų | 95 | 102.6 Ų | 102.6 | 44% | 0.444 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -44 | 175.8 | -69.9 | 179.8 | 15.9 | 0 | 0 | 111.4 | E141 L142 K148 K149 | E141-Q145 WeakPolarHBondContact O-CG 3.25Å; E141-Q145 PolarHBondContact O-N 3.47Å; L142-Q145 PolarHBondContact O-N 3.36Å; Q145-K148 PolarHBondContact O-N 3.44Å; Q145-K149 WeakPolarHBondContact O-CG 3.3Å; Q145-K149 PolarHBondContact O-N 2.99Å |
| 146 | L | 98.7 | Very high | 98.6 | Very high | 110 Ų | 110 | 102 Ų | 102 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.8 | -47 | 175.1 | -72.5 | 175 | 0 | 0 | 0 | 111.3 | L142 A143 K148 K149 D150 | L142-L146 WeakPolarHBondContact O-CG 3.27Å; L142-L146 PolarHBondContact O-N 2.9Å; A143-L146 PolarHBondContact O-N 3.48Å; L146-K148 VanDerWaalsContact C-N 3.27Å; L146-K148 PolarHBondContact O-N 2.87Å; L146-K149 PolarHBondContact O-N 2.95Å; L146-D150 PolarHBondContact O-N 3.36Å |
| 147 | Q | 98.6 | Very high | 98.6 | Very high | 138 Ų | 138 | 103.5 Ų | 103.5 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58 | -39.4 | 177 | -171.5 | -174.3 | 5.1 | 0 | 0 | 112.4 | A143 Q144 S151 | A143-Q147 WeakPolarHBondContact O-CB 3.49Å; A143-Q147 PolarHBondContact O-N 3.32Å; Q144-Q147 PolarHBondContact O-N 3.47Å; Q147-S151 PolarHBondContact O-N 2.89Å; Q147-S151 PolarHBondContact O-OG 3.22Å |
| 148 | K | 98.6 | Very high | 98.6 | Very high | 133 Ų | 133 | 101 Ų | 101 | 58% | 0.578 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.9 | -40.6 | 174.7 | -72.7 | 173.2 | -177.3 | 176.5 | 0 | 112.1 | Q144 Q145 L146 S151 Q152 | Q144-K148 WeakPolarHBondContact O-CG 3.42Å; Q144-K148 PolarHBondContact O-N 2.99Å; Q145-K148 PolarHBondContact O-N 3.44Å; L146-K148 VanDerWaalsContact C-N 3.27Å; L146-K148 PolarHBondContact O-N 2.87Å; K148-S151 PolarHBondContact O-OG 3.5Å; K148-Q152 VanDerWaalsContact O-CG 3.27Å; K148-Q152 WeakPolarHBondContact O-CG 3.35Å; K148-Q152 PolarHBondContact O-N 3.29Å; K148-Q152 VanDerWaalsContact O-N 3.1Å |
| 149 | K | 98.7 | Very high | 98.6 | Very high | 131 Ų | 131 | 99.8 Ų | 99.8 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.7 | -41 | 176.4 | -68 | -57 | -175.1 | 79.1 | 0 | 111.4 | Q145 L146 S151 Q152 L153 | Q145-K149 WeakPolarHBondContact O-CG 3.3Å; Q145-K149 PolarHBondContact O-N 2.99Å; L146-K149 PolarHBondContact O-N 2.95Å; K149-S151 VanDerWaalsContact C-N 3.35Å; K149-S151 PolarHBondContact O-N 2.98Å; K149-Q152 PolarHBondContact O-N 2.96Å; K149-L153 WeakPolarHBondContact O-CB 3.47Å; K149-L153 WeakPolarHBondContact O-CG 3.19Å; K149-L153 PolarHBondContact O-N 3.5Å |
| 150 | D | 98.6 | Very high | 98.6 | Very high | 87 Ų | 87 | 103.9 Ų | 103.9 | 47% | 0.465 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 176.5 | -73.6 | -19.5 | 0 | 0 | 0 | 112 | L146 L153 K154 | L146-D150 PolarHBondContact O-N 3.36Å; D150-L153 PolarHBondContact O-N 3.43Å; D150-K154 WeakPolarHBondContact O-CB 3.35Å; D150-K154 VanDerWaalsContact O-CG 3.25Å; D150-K154 WeakPolarHBondContact O-CG 3.43Å; D150-K154 PolarHBondContact O-N 3.03Å |
| 151 | S | 98.6 | Very high | 98.6 | Very high | 67 Ų | 67 | 104.3 Ų | 104.3 | 47% | 0.469 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.7 | -38.6 | 176.5 | 67.7 | 0 | 0 | 0 | 0 | 112.1 | Q147 K148 K149 K154 A155 | Q147-S151 PolarHBondContact O-N 2.89Å; Q147-S151 PolarHBondContact O-OG 3.22Å; K148-S151 PolarHBondContact O-OG 3.5Å; K149-S151 VanDerWaalsContact C-N 3.35Å; K149-S151 PolarHBondContact O-N 2.98Å; S151-K154 PolarHBondContact O-N 3.42Å; S151-A155 WeakPolarHBondContact O-CB 3.4Å; S151-A155 PolarHBondContact O-N 3.38Å |
| 152 | Q | 98.6 | Very high | 98.6 | Very high | 115 Ų | 115 | 103.8 Ų | 103.8 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 173.3 | -74 | 174.8 | -13.6 | 0 | 0 | 112 | K148 K149 A155 L156 | K148-Q152 VanDerWaalsContact O-CG 3.27Å; K148-Q152 WeakPolarHBondContact O-CG 3.35Å; K148-Q152 PolarHBondContact O-N 3.29Å; K148-Q152 VanDerWaalsContact O-N 3.1Å; K149-Q152 PolarHBondContact O-N 2.96Å; Q152-A155 PolarHBondContact O-N 3.05Å; Q152-L156 WeakPolarHBondContact O-CG 3.37Å; Q152-L156 PolarHBondContact O-N 3.07Å |
| 153 | L | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 103.1 Ų | 103.1 | 59% | 0.586 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.4 | -43.4 | 177.3 | -74.3 | 173.1 | 0 | 0 | 0 | 111.6 | K149 D150 A155 L156 D157 | K149-L153 WeakPolarHBondContact O-CB 3.47Å; K149-L153 WeakPolarHBondContact O-CG 3.19Å; K149-L153 PolarHBondContact O-N 3.5Å; D150-L153 PolarHBondContact O-N 3.43Å; L153-A155 VanDerWaalsContact C-N 3.35Å; L153-A155 PolarHBondContact O-N 2.98Å; L153-L156 PolarHBondContact O-N 3.34Å; L153-D157 WeakPolarHBondContact O-CB 3.43Å; L153-D157 PolarHBondContact O-N 3.06Å |
| 154 | K | 98.8 | Very high | 98.6 | Very high | 151 Ų | 151 | 105.1 Ų | 105.1 | 66% | 0.657 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62 | -40.5 | 175.4 | -75.5 | 173.8 | -178.3 | 178.1 | 0 | 112.5 | D150 S151 D157 A158 | D150-K154 WeakPolarHBondContact O-CB 3.35Å; D150-K154 VanDerWaalsContact O-CG 3.25Å; D150-K154 WeakPolarHBondContact O-CG 3.43Å; D150-K154 PolarHBondContact O-N 3.03Å; S151-K154 PolarHBondContact O-N 3.42Å; K154-D157 PolarHBondContact O-N 3.04Å; K154-A158 WeakPolarHBondContact O-CB 3.5Å; K154-A158 PolarHBondContact O-N 3.43Å |
| 155 | A | 98.7 | Very high | 98.6 | Very high | 64 Ų | 64 | 102 Ų | 102 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | S151 Q152 L153 F159 | S151-A155 WeakPolarHBondContact O-CB 3.4Å; S151-A155 PolarHBondContact O-N 3.38Å; Q152-A155 PolarHBondContact O-N 3.05Å; L153-A155 VanDerWaalsContact C-N 3.35Å; L153-A155 PolarHBondContact O-N 2.98Å; A155-F159 WeakPolarHBondContact O-CB 3.38Å; A155-F159 PolarHBondContact O-N 3.4Å |
| 156 | L | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 101.6 Ų | 101.6 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 175.8 | -72 | 172.1 | 0 | 0 | 0 | 112.1 | Q152 L153 F159 Y160 | Q152-L156 WeakPolarHBondContact O-CG 3.37Å; Q152-L156 PolarHBondContact O-N 3.07Å; L153-L156 PolarHBondContact O-N 3.34Å; L156-F159 WeakPolarHBondContact O-CB 3.43Å; L156-F159 PolarHBondContact O-N 3.25Å; L156-Y160 WeakPolarHBondContact O-CD2 3.44Å; L156-Y160 PolarHBondContact O-N 3.16Å |
| 157 | D | 98.6 | Very high | 98.6 | Very high | 78 Ų | 78 | 101 Ų | 101 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 175.6 | 176.2 | 65.2 | 0 | 0 | 0 | 111.3 | L153 K154 F159 Y160 K161 | L153-D157 WeakPolarHBondContact O-CB 3.43Å; L153-D157 PolarHBondContact O-N 3.06Å; K154-D157 PolarHBondContact O-N 3.04Å; D157-F159 VanDerWaalsContact C-N 3.34Å; D157-F159 PolarHBondContact O-N 2.84Å; D157-Y160 PolarHBondContact O-N 3.2Å; D157-K161 WeakPolarHBondContact O-CB 3.35Å; D157-K161 VanDerWaalsContact O-CG 3.3Å; D157-K161 WeakPolarHBondContact O-CG 3.33Å; D157-K161 PolarHBondContact O-N 3.39Å; D157-K161 WeakPolarHBondContact OD1-CE 3.45Å; D157-K161 IonicContact OD1-NZ 3.61Å; D157-K161 PolarHBondContact OD1-NZ 3.19Å; D157-K161 VanDerWaalsContact OD2-CE 3.28Å; D157-K161 WeakPolarHBondContact OD2-CE 3.36Å; D157-K161 IonicContact OD2-NZ 2.77Å; D157-K161 PolarHBondContact OD2-NZ 2.96Å |
| 158 | A | 98.7 | Very high | 98.6 | Very high | 58 Ų | 58 | 100.7 Ų | 100.7 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | K154 K161 E162 | K154-A158 WeakPolarHBondContact O-CB 3.5Å; K154-A158 PolarHBondContact O-N 3.43Å; A158-K161 PolarHBondContact O-N 3.37Å; A158-E162 WeakPolarHBondContact O-CB 3.38Å; A158-E162 PolarHBondContact O-N 2.89Å |
| 159 | F | 98.8 | Very high | 98.6 | Very high | 112 Ų | 112 | 99.1 Ų | 99.1 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | 176.8 | 175.5 | -97.6 | 0 | 0 | 0 | 112 | A155 L156 D157 E162 Q163 | A155-F159 WeakPolarHBondContact O-CB 3.38Å; A155-F159 PolarHBondContact O-N 3.4Å; L156-F159 WeakPolarHBondContact O-CB 3.43Å; L156-F159 PolarHBondContact O-N 3.25Å; D157-F159 VanDerWaalsContact C-N 3.34Å; D157-F159 PolarHBondContact O-N 2.84Å; F159-E162 PolarHBondContact O-N 2.95Å; F159-Q163 HydrophobicContact CD1-CG 4.39Å; F159-Q163 HydrophobicContact CE1-CG 3.96Å; F159-Q163 HydrophobicContact CE2-CG 4.32Å; F159-Q163 HydrophobicContact CZ-CG 3.93Å; F159-Q163 WeakPolarHBondContact O-CG 3.4Å; F159-Q163 PolarHBondContact O-N 3.41Å |
| 160 | Y | 98.6 | Very high | 98.6 | Very high | 143 Ų | 143 | 99.6 Ų | 99.6 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.7 | -34.4 | -179.1 | -74.1 | -61.6 | 0 | 0 | 0 | 112.9 | L156 D157 Q163 L164 | L156-Y160 WeakPolarHBondContact O-CD2 3.44Å; L156-Y160 PolarHBondContact O-N 3.16Å; D157-Y160 PolarHBondContact O-N 3.2Å; Y160-Q163 PolarHBondContact O-N 3.01Å; Y160-L164 WeakPolarHBondContact O-CG 3.27Å; Y160-L164 PolarHBondContact O-N 3.28Å |
| 161 | K | 98.7 | Very high | 98.5 | Very high | 122 Ų | 122 | 99.4 Ų | 99.4 | 53% | 0.53 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 172 | -78.6 | 173.9 | 175.2 | 166.4 | 0 | 111.9 | D157 A158 L164 A165 | D157-K161 WeakPolarHBondContact O-CB 3.35Å; D157-K161 VanDerWaalsContact O-CG 3.3Å; D157-K161 WeakPolarHBondContact O-CG 3.33Å; D157-K161 PolarHBondContact O-N 3.39Å; D157-K161 WeakPolarHBondContact OD1-CE 3.45Å; D157-K161 IonicContact OD1-NZ 3.61Å; D157-K161 PolarHBondContact OD1-NZ 3.19Å; D157-K161 VanDerWaalsContact OD2-CE 3.28Å; D157-K161 WeakPolarHBondContact OD2-CE 3.36Å; D157-K161 IonicContact OD2-NZ 2.77Å; D157-K161 PolarHBondContact OD2-NZ 2.96Å; A158-K161 PolarHBondContact O-N 3.37Å; K161-L164 PolarHBondContact O-N 3.01Å; K161-A165 WeakPolarHBondContact O-CB 3.48Å; K161-A165 PolarHBondContact O-N 3.35Å |
| 162 | E | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 102 Ų | 102 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 175.7 | -177.9 | 60.6 | -149.3 | 0 | 0 | 111.4 | A158 F159 L164 A165 Q166 | A158-E162 WeakPolarHBondContact O-CB 3.38Å; A158-E162 PolarHBondContact O-N 2.89Å; F159-E162 PolarHBondContact O-N 2.95Å; E162-L164 VanDerWaalsContact C-N 3.34Å; E162-L164 PolarHBondContact O-N 3.49Å; E162-A165 PolarHBondContact O-N 2.83Å; E162-Q166 WeakPolarHBondContact O-CB 3.45Å; E162-Q166 VanDerWaalsContact O-CG 3.29Å; E162-Q166 WeakPolarHBondContact O-CG 3.18Å; E162-Q166 PolarHBondContact O-N 3.43Å; E162-Q166 PolarHBondContact OE1-NE2 3.3Å |
| 163 | Q | 98.5 | Very high | 98.5 | Very high | 87 Ų | 87 | 100.6 Ų | 100.6 | 41% | 0.407 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 176.3 | -71.2 | -59.9 | -63.3 | 0 | 0 | 112.7 | F159 Y160 L167 | F159-Q163 HydrophobicContact CD1-CG 4.39Å; F159-Q163 HydrophobicContact CE1-CG 3.96Å; F159-Q163 HydrophobicContact CE2-CG 4.32Å; F159-Q163 HydrophobicContact CZ-CG 3.93Å; F159-Q163 WeakPolarHBondContact O-CG 3.4Å; F159-Q163 PolarHBondContact O-N 3.41Å; Y160-Q163 PolarHBondContact O-N 3.01Å; Q163-L167 WeakPolarHBondContact O-CB 3.29Å; Q163-L167 PolarHBondContact O-N 3.44Å |
| 164 | L | 98.6 | Very high | 98.4 | Very high | 98 Ų | 98 | 100.9 Ų | 100.9 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.1 | -47.3 | 175.6 | -72.7 | 170.9 | 0 | 0 | 0 | 111.2 | Y160 K161 E162 Q166 L167 E168 | Y160-L164 WeakPolarHBondContact O-CG 3.27Å; Y160-L164 PolarHBondContact O-N 3.28Å; K161-L164 PolarHBondContact O-N 3.01Å; E162-L164 VanDerWaalsContact C-N 3.34Å; E162-L164 PolarHBondContact O-N 3.49Å; L164-Q166 VanDerWaalsContact C-N 3.3Å; L164-Q166 PolarHBondContact O-N 2.91Å; L164-L167 WeakPolarHBondContact O-CB 3.49Å; L164-L167 PolarHBondContact O-N 3.34Å; L164-E168 WeakPolarHBondContact O-CB 3.46Å; L164-E168 WeakPolarHBondContact O-CG 3.36Å; L164-E168 PolarHBondContact O-N 3.05Å |
| 165 | A | 98.6 | Very high | 98.4 | Very high | 46 Ų | 46 | 99.1 Ų | 99.1 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K161 E162 L167 E168 Q169 | K161-A165 WeakPolarHBondContact O-CB 3.48Å; K161-A165 PolarHBondContact O-N 3.35Å; E162-A165 PolarHBondContact O-N 2.83Å; A165-L167 VanDerWaalsContact C-N 3.35Å; A165-L167 PolarHBondContact O-N 3.3Å; A165-E168 PolarHBondContact O-N 3.47Å; A165-Q169 VanDerWaalsContact O-CB 3.27Å; A165-Q169 WeakPolarHBondContact O-CB 3.32Å; A165-Q169 PolarHBondContact O-N 3.33Å |
| 166 | Q | 98.4 | Very high | 98.4 | Very high | 87 Ų | 87 | 101.7 Ų | 101.7 | 41% | 0.407 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65 | -37.2 | 174.8 | -72.8 | 177.2 | 11.2 | 0 | 0 | 112.7 | E162 L164 R170 | E162-Q166 WeakPolarHBondContact O-CB 3.45Å; E162-Q166 VanDerWaalsContact O-CG 3.29Å; E162-Q166 WeakPolarHBondContact O-CG 3.18Å; E162-Q166 PolarHBondContact O-N 3.43Å; E162-Q166 PolarHBondContact OE1-NE2 3.3Å; L164-Q166 VanDerWaalsContact C-N 3.3Å; L164-Q166 PolarHBondContact O-N 2.91Å; Q166-R170 WeakPolarHBondContact O-CB 3.28Å; Q166-R170 WeakPolarHBondContact O-CG 3.47Å; Q166-R170 PolarHBondContact O-N 3.25Å |
| 167 | L | 98.4 | Very high | 98.3 | Very high | 96 Ų | 96 | 103 Ų | 103 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.3 | -44.8 | 176.4 | -174.4 | 69.3 | 0 | 0 | 0 | 111.3 | Q163 L164 A165 R170 N171 | Q163-L167 WeakPolarHBondContact O-CB 3.29Å; Q163-L167 PolarHBondContact O-N 3.44Å; L164-L167 WeakPolarHBondContact O-CB 3.49Å; L164-L167 PolarHBondContact O-N 3.34Å; A165-L167 VanDerWaalsContact C-N 3.35Å; A165-L167 PolarHBondContact O-N 3.3Å; L167-R170 PolarHBondContact O-N 2.94Å; L167-N171 VanDerWaalsContact O-CB 3.28Å; L167-N171 WeakPolarHBondContact O-CB 3.46Å; L167-N171 PolarHBondContact O-N 2.86Å |
| 168 | E | 98.1 | Very high | 98.3 | Very high | 132 Ų | 132 | 101.8 Ų | 101.8 | 62% | 0.617 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.6 | -46.6 | 176.4 | -72.9 | 171.4 | 174.7 | 0 | 0 | 110.9 | L164 A165 N171 F172 | L164-E168 WeakPolarHBondContact O-CB 3.46Å; L164-E168 WeakPolarHBondContact O-CG 3.36Å; L164-E168 PolarHBondContact O-N 3.05Å; A165-E168 PolarHBondContact O-N 3.47Å; E168-N171 WeakPolarHBondContact O-CB 3.36Å; E168-N171 PolarHBondContact O-N 3.48Å; E168-F172 WeakPolarHBondContact O-CB 3.49Å; E168-F172 PolarHBondContact O-N 2.81Å |
| 169 | Q | 98.5 | Very high | 98.2 | Very high | 100 Ų | 100 | 103.5 Ų | 103.5 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.6 | -50.1 | 176.9 | -177.3 | 63.7 | 18.7 | 0 | 0 | 111.7 | A165 N171 F172 E173 | A165-Q169 VanDerWaalsContact O-CB 3.27Å; A165-Q169 WeakPolarHBondContact O-CB 3.32Å; A165-Q169 PolarHBondContact O-N 3.33Å; Q169-N171 VanDerWaalsContact C-N 3.28Å; Q169-N171 PolarHBondContact O-N 2.92Å; Q169-F172 PolarHBondContact O-N 2.87Å; Q169-E173 PolarHBondContact NE2-OE1 2.94Å; Q169-E173 WeakPolarHBondContact O-CG 3.28Å; Q169-E173 PolarHBondContact O-N 3Å |
| 170 | R | 98.3 | Very high | 98.1 | Very high | 141 Ų | 141 | 102.1 Ų | 102.1 | 53% | 0.532 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -33.2 | 177.9 | -72.5 | -168.2 | -57.7 | 135.6 | -1.1 | 112.8 | Q166 L167 R174 | Q166-R170 WeakPolarHBondContact O-CB 3.28Å; Q166-R170 WeakPolarHBondContact O-CG 3.47Å; Q166-R170 PolarHBondContact O-N 3.25Å; L167-R170 PolarHBondContact O-N 2.94Å; R170-R174 WeakPolarHBondContact O-CB 3.44Å; R170-R174 PolarHBondContact O-N 3.34Å; R170-R174 VanDerWaalsContact O-N 3.11Å |
| 171 | N | 97.9 | Very high | 98 | Very high | 83 Ų | 83 | 101 Ų | 101 | 44% | 0.444 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.9 | -46.2 | 175.5 | -169.6 | -75 | 0 | 0 | 0 | 110.6 | L167 E168 Q169 R174 F175 | L167-N171 VanDerWaalsContact O-CB 3.28Å; L167-N171 WeakPolarHBondContact O-CB 3.46Å; L167-N171 PolarHBondContact O-N 2.86Å; E168-N171 WeakPolarHBondContact O-CB 3.36Å; E168-N171 PolarHBondContact O-N 3.48Å; Q169-N171 VanDerWaalsContact C-N 3.28Å; Q169-N171 PolarHBondContact O-N 2.92Å; N171-R174 PolarHBondContact O-N 3.01Å; N171-F175 WeakPolarHBondContact O-CB 3.49Å; N171-F175 PolarHBondContact O-N 3.38Å |
| 172 | F | 98.4 | Very high | 98 | Very high | 121 Ų | 121 | 101.9 Ų | 101.9 | 53% | 0.531 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 177.4 | 177.8 | -102.7 | 0 | 0 | 0 | 112.2 | E168 Q169 R174 F175 K176 | E168-F172 WeakPolarHBondContact O-CB 3.49Å; E168-F172 PolarHBondContact O-N 2.81Å; Q169-F172 PolarHBondContact O-N 2.87Å; F172-R174 PolarHBondContact O-N 3.1Å; F172-F175 PolarHBondContact O-N 3.12Å; F172-K176 WeakPolarHBondContact O-CB 3.46Å; F172-K176 PolarHBondContact O-N 3.45Å |
| 173 | E | 97.9 | Very high | 97.9 | Very high | 86 Ų | 86 | 101.9 Ų | 101.9 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59 | -48 | 176.3 | -74.2 | 169.4 | -177.6 | 0 | 0 | 111.5 | Q169 F175 K176 E177 | Q169-E173 PolarHBondContact NE2-OE1 2.94Å; Q169-E173 WeakPolarHBondContact O-CG 3.28Å; Q169-E173 PolarHBondContact O-N 3Å; E173-F175 VanDerWaalsContact C-N 3.31Å; E173-F175 PolarHBondContact O-N 2.95Å; E173-K176 WeakPolarHBondContact O-CB 3.37Å; E173-K176 PolarHBondContact O-N 3.37Å; E173-E177 WeakPolarHBondContact O-CG 3.43Å; E173-E177 PolarHBondContact O-N 2.62Å |
| 174 | R | 97.7 | Very high | 97.8 | Very high | 119 Ų | 119 | 104 Ų | 104 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 176.8 | -175.9 | -174.1 | -64.3 | 168 | -1.6 | 112 | R170 N171 F172 S178 | R170-R174 WeakPolarHBondContact O-CB 3.44Å; R170-R174 PolarHBondContact O-N 3.34Å; R170-R174 VanDerWaalsContact O-N 3.11Å; N171-R174 PolarHBondContact O-N 3.01Å; F172-R174 PolarHBondContact O-N 3.1Å; R174-S178 VanDerWaalsContact O-CB 3.28Å; R174-S178 WeakPolarHBondContact O-CB 3.38Å; R174-S178 PolarHBondContact O-N 3.14Å |
| 175 | F | 98.3 | Very high | 97.6 | Very high | 114 Ų | 114 | 103.3 Ų | 103.3 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.9 | 174.1 | -100.7 | 0 | 0 | 0 | 111.1 | N171 F172 E173 S178 K179 | N171-F175 WeakPolarHBondContact O-CB 3.49Å; N171-F175 PolarHBondContact O-N 3.38Å; F172-F175 PolarHBondContact O-N 3.12Å; E173-F175 VanDerWaalsContact C-N 3.31Å; E173-F175 PolarHBondContact O-N 2.95Å; F175-S178 PolarHBondContact O-N 3.45Å; F175-K179 WeakPolarHBondContact O-CB 3.28Å; F175-K179 PolarHBondContact O-N 3.12Å |
| 176 | K | 98.3 | Very high | 97.4 | Very high | 118 Ų | 118 | 103.1 Ų | 103.1 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -50 | 177.3 | -174.3 | -178.6 | 177.1 | -176.1 | 0 | 111.5 | F172 E173 S178 K179 D180 | F172-K176 WeakPolarHBondContact O-CB 3.46Å; F172-K176 PolarHBondContact O-N 3.45Å; E173-K176 WeakPolarHBondContact O-CB 3.37Å; E173-K176 PolarHBondContact O-N 3.37Å; K176-S178 VanDerWaalsContact C-N 3.32Å; K176-S178 PolarHBondContact O-N 3.34Å; K176-K179 WeakPolarHBondContact O-CB 3.35Å; K176-K179 PolarHBondContact O-N 2.87Å; K176-K179 VanDerWaalsContact O-N 3.17Å; K176-D180 VanDerWaalsContact O-CG 3.31Å; K176-D180 PolarHBondContact O-N 2.86Å |
| 177 | E | 97.4 | Very high | 97.2 | Very high | 120 Ų | 120 | 102.5 Ų | 102.5 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.4 | -43.7 | 176.1 | -72.2 | 177.8 | 175 | 0 | 0 | 111.9 | E173 K179 D180 Q181 | E173-E177 WeakPolarHBondContact O-CG 3.43Å; E173-E177 PolarHBondContact O-N 2.62Å; E177-K179 VanDerWaalsContact C-N 3.33Å; E177-K179 PolarHBondContact O-N 3.19Å; E177-D180 PolarHBondContact O-N 3.37Å; E177-Q181 WeakPolarHBondContact O-CB 3.34Å; E177-Q181 VanDerWaalsContact O-CG 3.28Å; E177-Q181 WeakPolarHBondContact O-CG 3.46Å; E177-Q181 PolarHBondContact O-N 3.23Å |
| 178 | S | 97.3 | Very high | 96.8 | Very high | 52 Ų | 52 | 101.9 Ų | 101.9 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 177.5 | -173.7 | 0 | 0 | 0 | 0 | 112.1 | R174 F175 K176 F182 | R174-S178 VanDerWaalsContact O-CB 3.28Å; R174-S178 WeakPolarHBondContact O-CB 3.38Å; R174-S178 PolarHBondContact O-N 3.14Å; F175-S178 PolarHBondContact O-N 3.45Å; K176-S178 VanDerWaalsContact C-N 3.32Å; K176-S178 PolarHBondContact O-N 3.34Å; S178-F182 WeakPolarHBondContact O-CB 3.33Å; S178-F182 PolarHBondContact O-N 3.22Å |
| 179 | K | 97.5 | Very high | 96.4 | Very high | 93 Ų | 93 | 98.4 Ų | 98.4 | 40% | 0.404 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 175.7 | 175.1 | -179.9 | 175.2 | -179.7 | 0 | 110.4 | F175 K176 E177 Q181 F182 H183 | F175-K179 WeakPolarHBondContact O-CB 3.28Å; F175-K179 PolarHBondContact O-N 3.12Å; K176-K179 WeakPolarHBondContact O-CB 3.35Å; K176-K179 PolarHBondContact O-N 2.87Å; K176-K179 VanDerWaalsContact O-N 3.17Å; E177-K179 VanDerWaalsContact C-N 3.33Å; E177-K179 PolarHBondContact O-N 3.19Å; K179-Q181 PolarHBondContact O-N 2.9Å; K179-F182 PolarHBondContact O-N 3.25Å; K179-H183 WeakPolarHBondContact CE-NE2 3.28Å; K179-H183 PolarHBondContact O-CD2 2.9Å; K179-H183 PolarHBondContact O-N 3.45Å |
| 180 | D | 96.8 | Very high | 95.8 | Very high | 84 Ų | 84 | 101 Ų | 101 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | -179.6 | -67.4 | -17.6 | 0 | 0 | 0 | 110.9 | K176 E177 F182 H183 Q184 | K176-D180 VanDerWaalsContact O-CG 3.31Å; K176-D180 PolarHBondContact O-N 2.86Å; E177-D180 PolarHBondContact O-N 3.37Å; D180-F182 PolarHBondContact O-N 2.9Å; D180-H183 PolarHBondContact O-N 3.01Å; D180-Q184 VanDerWaalsContact O-CB 3.25Å; D180-Q184 WeakPolarHBondContact O-CB 3.25Å; D180-Q184 PolarHBondContact O-N 2.9Å |
| 181 | Q | 96.3 | Very high | 95.2 | Very high | 118 Ų | 118 | 98 Ų | 98 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.7 | -40.8 | 175 | -75.9 | 179.1 | 10.2 | 0 | 0 | 112.6 | E177 K179 T185 | E177-Q181 WeakPolarHBondContact O-CB 3.34Å; E177-Q181 VanDerWaalsContact O-CG 3.28Å; E177-Q181 WeakPolarHBondContact O-CG 3.46Å; E177-Q181 PolarHBondContact O-N 3.23Å; K179-Q181 PolarHBondContact O-N 2.9Å; Q181-T185 VanDerWaalsContact O-CB 3.24Å; Q181-T185 WeakPolarHBondContact O-CB 3.41Å; Q181-T185 PolarHBondContact O-N 3.49Å; Q181-T185 PolarHBondContact O-OG1 3.19Å |
| 182 | F | 97.5 | Very high | 94.3 | Very high | 141 Ų | 141 | 98.1 Ų | 98.1 | 62% | 0.618 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.8 | -51.3 | 176.7 | 175.6 | -94.5 | 0 | 0 | 0 | 110.8 | S178 K179 D180 Q184 T185 A186 | S178-F182 WeakPolarHBondContact O-CB 3.33Å; S178-F182 PolarHBondContact O-N 3.22Å; K179-F182 PolarHBondContact O-N 3.25Å; D180-F182 PolarHBondContact O-N 2.9Å; F182-Q184 PolarHBondContact O-N 3.37Å; F182-T185 PolarHBondContact O-N 3.42Å; F182-A186 VanDerWaalsContact O-CB 3.3Å; F182-A186 WeakPolarHBondContact O-CB 3.34Å; F182-A186 PolarHBondContact O-N 3.01Å |
| 183 | H | 96.6 | Very high | 93.2 | Very high | 103 Ų | 103 | 99.7 Ų | 99.7 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 179.8 | -70.6 | -59.8 | 0 | 0 | 0 | 112.3 | K179 D180 A186 S187 | K179-H183 WeakPolarHBondContact CE-NE2 3.28Å; K179-H183 PolarHBondContact O-CD2 2.9Å; K179-H183 PolarHBondContact O-N 3.45Å; D180-H183 PolarHBondContact O-N 3.01Å; H183-A186 PolarHBondContact O-N 2.83Å; H183-S187 WeakPolarHBondContact O-CB 3.3Å; H183-S187 PolarHBondContact O-N 3Å |
| 184 | Q | 96.8 | Very high | 91.5 | Very high | 132 Ų | 132 | 106.4 Ų | 106.4 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.3 | -45.8 | 176.3 | -172.2 | 175.7 | 25.6 | 0 | 0 | 111.1 | D180 F182 S187 V188 | D180-Q184 VanDerWaalsContact O-CB 3.25Å; D180-Q184 WeakPolarHBondContact O-CB 3.25Å; D180-Q184 PolarHBondContact O-N 2.9Å; F182-Q184 PolarHBondContact O-N 3.37Å; Q184-S187 PolarHBondContact O-N 3.26Å; Q184-V188 WeakPolarHBondContact O-CB 3.37Å; Q184-V188 VanDerWaalsContact O-CG2 3.27Å; Q184-V188 WeakPolarHBondContact O-CG2 3.24Å; Q184-V188 PolarHBondContact O-N 3.17Å |
| 185 | T | 95.4 | Very high | 89.9 | Confident | 84 Ų | 84 | 106 Ų | 106 | 52% | 0.515 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65 | -42.5 | 178 | -56.3 | 0 | 0 | 0 | 0 | 111 | Q181 F182 V188 T189 | Q181-T185 VanDerWaalsContact O-CB 3.24Å; Q181-T185 WeakPolarHBondContact O-CB 3.41Å; Q181-T185 PolarHBondContact O-N 3.49Å; Q181-T185 PolarHBondContact O-OG1 3.19Å; F182-T185 PolarHBondContact O-N 3.42Å; T185-V188 PolarHBondContact O-N 3.06Å; T185-T189 WeakPolarHBondContact O-CB 3.33Å; T185-T189 PolarHBondContact O-N 3.37Å; T185-T189 PolarHBondContact O-OG1 3.32Å |
| 186 | A | 94.4 | Very high | 88.2 | Confident | 42 Ų | 42 | 111.5 Ų | 111.5 | 35% | 0.347 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.7 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F182 H183 T189 E190 | F182-A186 VanDerWaalsContact O-CB 3.3Å; F182-A186 WeakPolarHBondContact O-CB 3.34Å; F182-A186 PolarHBondContact O-N 3.01Å; H183-A186 PolarHBondContact O-N 2.83Å; A186-T189 PolarHBondContact O-N 3.08Å; A186-E190 WeakPolarHBondContact O-CB 3.27Å; A186-E190 PolarHBondContact O-N 3.37Å |
| 187 | S | 92.6 | Very high | 86.5 | Confident | 73 Ų | 73 | 112.8 Ų | 112.8 | 51% | 0.51 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65 | -44.6 | 178.4 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | H183 Q184 T189 E190 A191 | H183-S187 WeakPolarHBondContact O-CB 3.3Å; H183-S187 PolarHBondContact O-N 3Å; Q184-S187 PolarHBondContact O-N 3.26Å; S187-T189 VanDerWaalsContact C-N 3.29Å; S187-T189 PolarHBondContact O-N 3.5Å; S187-E190 PolarHBondContact O-N 3.38Å; S187-A191 WeakPolarHBondContact O-CB 3.37Å; S187-A191 PolarHBondContact O-N 3.46Å |
| 188 | V | 91.1 | Very high | 85 | Confident | 83 Ų | 83 | 113.5 Ų | 113.5 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.8 | -40.3 | 175.6 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | Q184 T185 S192 | Q184-V188 WeakPolarHBondContact O-CB 3.37Å; Q184-V188 VanDerWaalsContact O-CG2 3.27Å; Q184-V188 WeakPolarHBondContact O-CG2 3.24Å; Q184-V188 PolarHBondContact O-N 3.17Å; T185-V188 PolarHBondContact O-N 3.06Å; V188-S192 WeakPolarHBondContact O-CB 3.44Å; V188-S192 PolarHBondContact O-N 2.91Å; V188-S192 PolarHBondContact O-OG 2.86Å |
| 189 | T | 89.3 | Confident | 83.8 | Confident | 59 Ų | 59 | 113.8 Ų | 113.8 | 36% | 0.362 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.7 | -50.8 | 177.5 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | T185 A186 S187 A191 S192 F193 | T185-T189 WeakPolarHBondContact O-CB 3.33Å; T185-T189 PolarHBondContact O-N 3.37Å; T185-T189 PolarHBondContact O-OG1 3.32Å; A186-T189 PolarHBondContact O-N 3.08Å; S187-T189 VanDerWaalsContact C-N 3.29Å; S187-T189 PolarHBondContact O-N 3.5Å; T189-A191 VanDerWaalsContact C-N 3.33Å; T189-A191 PolarHBondContact O-N 2.87Å; T189-S192 CarbonylContact O-C 3.59Å; T189-S192 PolarHBondContact O-N 2.96Å; T189-S192 VanDerWaalsContact O-N 3.07Å; T189-F193 HydrophobicContact CG2-CD2 3.52Å; T189-F193 HydrophobicContact CG2-CE2 3.55Å; T189-F193 WeakPolarHBondContact O-CB 3.29Å; T189-F193 VanDerWaalsContact O-CD2 3.29Å; T189-F193 WeakPolarHBondContact O-CD2 3.48Å; T189-F193 PolarHBondContact O-N 2.87Å |
| 190 | E | 86.3 | Confident | 82.8 | Confident | 154 Ų | 154 | 112.6 Ų | 112.6 | 72% | 0.72 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -56.6 | -45.3 | 176.7 | -174.4 | 176.9 | -167.3 | 0 | 0 | 112 | A186 S187 S192 F193 | A186-E190 WeakPolarHBondContact O-CB 3.27Å; A186-E190 PolarHBondContact O-N 3.37Å; S187-E190 PolarHBondContact O-N 3.38Å; E190-S192 VanDerWaalsContact C-N 3.33Å; E190-S192 PolarHBondContact O-N 3.24Å; E190-F193 CarbonylContact O-C 3.58Å; E190-F193 PolarHBondContact O-N 3.34Å |
| 191 | A | 84.8 | Confident | 82.2 | Confident | 79 Ų | 79 | 113.1 Ų | 113.1 | 65% | 0.653 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.8 | -34.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S187 T189 | S187-A191 WeakPolarHBondContact O-CB 3.37Å; S187-A191 PolarHBondContact O-N 3.46Å; T189-A191 VanDerWaalsContact C-N 3.33Å; T189-A191 PolarHBondContact O-N 2.87Å |
| 192 | S | 79.6 | Confident | 82 | Confident | 86 Ų | 86 | 107.9 Ų | 107.9 | 60% | 0.601 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -77 | -32.4 | 178.9 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | V188 T189 E190 R194 | V188-S192 WeakPolarHBondContact O-CB 3.44Å; V188-S192 PolarHBondContact O-N 2.91Å; V188-S192 PolarHBondContact O-OG 2.86Å; T189-S192 CarbonylContact O-C 3.59Å; T189-S192 PolarHBondContact O-N 2.96Å; T189-S192 VanDerWaalsContact O-N 3.07Å; E190-S192 VanDerWaalsContact C-N 3.33Å; E190-S192 PolarHBondContact O-N 3.24Å; S192-R194 PolarHBondContact O-N 2.91Å |
| 193 | F | 75.5 | Confident | 81.6 | Confident | 153 Ų | 153 | 105 Ų | 105 | 67% | 0.671 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -72.1 | 76.2 | 167.8 | -86.7 | -93.1 | 0 | 0 | 0 | 108.6 | T189 E190 S195 | T189-F193 HydrophobicContact CG2-CD2 3.52Å; T189-F193 HydrophobicContact CG2-CE2 3.55Å; T189-F193 WeakPolarHBondContact O-CB 3.29Å; T189-F193 VanDerWaalsContact O-CD2 3.29Å; T189-F193 WeakPolarHBondContact O-CD2 3.48Å; T189-F193 PolarHBondContact O-N 2.87Å; E190-F193 CarbonylContact O-C 3.58Å; E190-F193 PolarHBondContact O-N 3.34Å; F193-S195 PolarHBondContact O-N 3.4Å |
| 194 | R | 62.3 | Low | 81.3 | Confident | 228 Ų | 228 | 102.1 Ų | 102.1 | 86% | 0.86 | 58% | 0.577 | S | S | * | * | trans | -48.1 | 131.6 | 167.3 | -71.5 | -170.1 | 177.3 | -136.7 | 0.3 | 108.4 | S192 R196 | S192-R194 PolarHBondContact O-N 2.91Å; R194-R196 PolarHBondContact O-N 2.88Å | ||
| 195 | S | 63.5 | Low | 81.2 | Confident | 109 Ų | 109 | 97.7 Ų | 97.7 | 76% | 0.762 | 56% | 0.557 | S | S | * | * | trans | -44.1 | 116.4 | 168 | 60 | 0 | 0 | 0 | 0 | 107.5 | F193 N197 | F193-S195 PolarHBondContact O-N 3.4Å; S195-N197 PolarHBondContact O-N 3.11Å | ||
| 196 | R | 64.1 | Low | 81 | Confident | 230 Ų | 230 | 97 Ų | 97 | 87% | 0.868 | 55% | 0.548 | S | S | * | . | trans | -44.1 | 122.8 | 176.4 | -104.1 | 178.2 | 174 | 157.5 | -1.4 | 106.9 | R194 T198 | R194-R196 PolarHBondContact O-N 2.88Å; R196-T198 VanDerWaalsContact C-N 3.3Å; R196-T198 WeakPolarHBondContact O-CG2 3.17Å; R196-T198 PolarHBondContact O-N 3.32Å | ||
| 197 | N | 62.2 | Low | 81 | Confident | 145 Ų | 145 | 98 Ų | 98 | 78% | 0.775 | 56% | 0.556 | S | S | * | * | trans | -64.5 | 98.4 | -178.5 | -151.1 | -41.1 | 0 | 0 | 0 | 106.7 | S195 A199 | S195-N197 PolarHBondContact O-N 3.11Å; N197-A199 PolarHBondContact O-N 3.36Å; N197-A199 WeakPolarHBondContact OD1-CB 3.2Å; N197-A199 PolarHBondContact OD1-N 2.99Å | ||
| 198 | T | 65.8 | Low | 81.1 | Confident | 135 Ų | 135 | 99.6 Ų | 99.6 | 83% | 0.828 | 56% | 0.555 | S | S | * | * | trans | -77.9 | 10.1 | 178.9 | 53.6 | 0 | 0 | 0 | 0 | 111.2 | R196 | R196-T198 VanDerWaalsContact C-N 3.3Å; R196-T198 WeakPolarHBondContact O-CG2 3.17Å; R196-T198 PolarHBondContact O-N 3.32Å | ||
| 199 | A | 71.5 | Confident | 81.3 | Confident | 58 Ų | 58 | 96.4 Ų | 96.4 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | trans | -57.2 | 127.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | N197 V201 | N197-A199 PolarHBondContact O-N 3.36Å; N197-A199 WeakPolarHBondContact OD1-CB 3.2Å; N197-A199 PolarHBondContact OD1-N 2.99Å; A199-V201 PolarHBondContact O-N 2.94Å | ||
| 200 | P | 77.6 | Confident | 81.5 | Confident | 69 Ų | 69 | 97.8 Ų | 97.8 | 45% | 0.448 | 54% | 0.54 | S | S | . | . | trans | -60.2 | 139.2 | 174.7 | 26.8 | -35.2 | 0 | 0 | 0 | 109.1 | C202 P203 | P200-C202 VanDerWaalsContact C-N 3.27Å; P200-C202 PolarHBondContact O-N 3.36Å; P200-P203 HydrophobicContact CG-CB 3.91Å; P200-P203 WeakPolarHBondContact O-CD 3.37Å | ||
| 201 | V | 83.7 | Confident | 82 | Confident | 95 Ų | 95 | 93.2 Ų | 93.2 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -66.6 | -28.4 | -172.2 | 174.4 | 0 | 0 | 0 | 0 | 112.8 | A199 A237 | A199-V201 PolarHBondContact O-N 2.94Å; V201-A237 HydrophobicContact CB-CB 4.42Å; V201-A237 HydrophobicContact CG1-CB 2.98Å |
| 202 | C | 90.8 | Very high | 82.5 | Confident | 7 Ų | 7 | 90.6 Ų | 90.6 | 5% | 0.047 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -142 | 66.4 | -177.7 | -52.1 | 0 | 0 | 0 | 0 | 110.7 | P200 G204 L205 Q206 Y230 C233 | P200-C202 VanDerWaalsContact C-N 3.27Å; P200-C202 PolarHBondContact O-N 3.36Å; C202-G204 VanDerWaalsContact C-N 3.35Å; C202-G204 PolarHBondContact O-N 2.89Å; C202-L205 HydrophobicContact CB-CB 4.29Å; C202-L205 PolarHBondContact O-N 2.82Å; C202-Q206 WeakPolarHBondContact O-CB 3.21Å; C202-Q206 PolarHBondContact O-N 3.43Å; C202-Y230 HydrophobicContact CB-CD2 4.02Å; C202-Y230 HydrophobicContact CB-CE2 3.89Å; C202-C233 HydrophobicContact CB-CB 4.05Å; C202-C233 WeakPolarHBondContact CB-SG 3.32Å; C202-C233 WeakPolarHBondContact SG-CB 3.44Å; C202-C233 CovalentContact SG-SG 2.03Å; C202-C233 PolarHBondContact SG-SG 2.76Å |
| 203 | P | 89.5 | Confident | 83.2 | Confident | 82 Ų | 82 | 90.9 Ų | 90.9 | 53% | 0.532 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | -169.9 | 19.2 | -26.3 | 0 | 0 | 0 | 113 | P200 Q206 A207 | P200-P203 HydrophobicContact CG-CB 3.91Å; P200-P203 WeakPolarHBondContact O-CD 3.37Å; P203-Q206 PolarHBondContact O-N 3.31Å; P203-A207 WeakPolarHBondContact O-CB 3.41Å; P203-A207 PolarHBondContact O-N 3.46Å |
| 204 | G | 91.2 | Very high | 84.2 | Confident | 42 Ų | 42 | 90.3 Ų | 90.3 | 43% | 0.433 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.5 | -51.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C202 Q206 A207 Q208 | C202-G204 VanDerWaalsContact C-N 3.35Å; C202-G204 PolarHBondContact O-N 2.89Å; G204-Q206 VanDerWaalsContact C-N 3.3Å; G204-Q206 PolarHBondContact O-N 2.8Å; G204-A207 PolarHBondContact O-N 3.3Å; G204-Q208 VanDerWaalsContact O-CG 3.3Å; G204-Q208 WeakPolarHBondContact O-CG 3.49Å; G204-Q208 PolarHBondContact O-N 3.45Å |
| 205 | L | 93.6 | Very high | 85.7 | Confident | 39 Ų | 39 | 85.2 Ų | 85.2 | 20% | 0.204 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 177 | -71.5 | 170.2 | 0 | 0 | 0 | 111.7 | C202 Q208 I209 L226 E229 Y230 C233 | C202-L205 HydrophobicContact CB-CB 4.29Å; C202-L205 PolarHBondContact O-N 2.82Å; L205-Q208 PolarHBondContact O-N 2.89Å; L205-I209 WeakPolarHBondContact O-CB 3.16Å; L205-I209 VanDerWaalsContact O-CG2 3.31Å; L205-I209 WeakPolarHBondContact O-CG2 3.45Å; L205-I209 PolarHBondContact O-N 3.44Å; L205-L226 HydrophobicContact CD2-CD1 4.04Å; L205-E229 HydrophobicContact CD2-CB 4.36Å; L205-Y230 HydrophobicContact CB-CD2 3.77Å; L205-C233 HydrophobicContact CD1-CB 3.59Å |
| 206 | Q | 92.3 | Very high | 87.1 | Confident | 68 Ų | 68 | 82.1 Ų | 82.1 | 32% | 0.318 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 173.5 | -173.9 | 175 | -12.6 | 0 | 0 | 111.9 | C202 P203 G204 I209 L210 Y230 | C202-Q206 WeakPolarHBondContact O-CB 3.21Å; C202-Q206 PolarHBondContact O-N 3.43Å; P203-Q206 PolarHBondContact O-N 3.31Å; G204-Q206 VanDerWaalsContact C-N 3.3Å; G204-Q206 PolarHBondContact O-N 2.8Å; Q206-I209 WeakPolarHBondContact O-CG2 3.37Å; Q206-L210 HydrophobicContact CG-CD1 4.14Å; Q206-L210 WeakPolarHBondContact O-CB 3.34Å; Q206-L210 WeakPolarHBondContact O-CD1 3.16Å; Q206-L210 WeakPolarHBondContact O-CG 3.49Å; Q206-L210 PolarHBondContact O-N 2.89Å; Q206-Y230 HydrophobicContact CB-CE2 3.71Å; Q206-Y230 HydrophobicContact CG-CE2 4.36Å |
| 207 | A | 94.4 | Very high | 88.3 | Confident | 63 Ų | 63 | 78.6 Ų | 78.6 | 52% | 0.521 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P203 G204 L210 S211 | P203-A207 WeakPolarHBondContact O-CB 3.41Å; P203-A207 PolarHBondContact O-N 3.46Å; G204-A207 PolarHBondContact O-N 3.3Å; A207-L210 PolarHBondContact O-N 2.73Å; A207-S211 PolarHBondContact O-N 2.58Å |
| 208 | Q | 94.1 | Very high | 89.7 | Confident | 107 Ų | 107 | 79.3 Ų | 79.3 | 50% | 0.5 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.2 | -45.2 | -179.3 | -69.8 | 172.1 | 11 | 0 | 0 | 112.1 | G204 L205 L210 S211 C212 L226 | G204-Q208 VanDerWaalsContact O-CG 3.3Å; G204-Q208 WeakPolarHBondContact O-CG 3.49Å; G204-Q208 PolarHBondContact O-N 3.45Å; L205-Q208 PolarHBondContact O-N 2.89Å; Q208-L210 VanDerWaalsContact C-N 3.34Å; Q208-L210 PolarHBondContact O-N 2.87Å; Q208-S211 PolarHBondContact O-N 2.93Å; Q208-C212 WeakPolarHBondContact O-CB 3.44Å; Q208-C212 PolarHBondContact O-N 3.24Å; Q208-L226 HydrophobicContact CB-CD1 4.11Å; Q208-L226 HydrophobicContact CB-CD2 3.99Å |
| 209 | I | 95.1 | Very high | 90.8 | Very high | 16 Ų | 16 | 78 Ų | 78 | 8% | 0.082 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.5 | -38.6 | 179.6 | -161 | -178.8 | 0 | 0 | 0 | 111.5 | L205 Q206 S211 C212 Y213 L226 A227 Y230 | L205-I209 WeakPolarHBondContact O-CB 3.16Å; L205-I209 VanDerWaalsContact O-CG2 3.31Å; L205-I209 WeakPolarHBondContact O-CG2 3.45Å; L205-I209 PolarHBondContact O-N 3.44Å; Q206-I209 WeakPolarHBondContact O-CG2 3.37Å; I209-S211 VanDerWaalsContact C-N 3.34Å; I209-C212 PolarHBondContact O-N 2.85Å; I209-Y213 HydrophobicContact CD1-CE2 3.89Å; I209-Y213 HydrophobicContact CG1-CD2 4.05Å; I209-Y213 HydrophobicContact CG1-CE2 3.65Å; I209-Y213 VanDerWaalsContact O-CD2 3.31Å; I209-Y213 WeakPolarHBondContact O-CD2 3.31Å; I209-Y213 PolarHBondContact O-N 3.44Å; I209-Y213 VanDerWaalsContact O-N 3.11Å; I209-L226 HydrophobicContact CB-CD2 4.29Å; I209-L226 HydrophobicContact CB-CG 4.21Å; I209-L226 HydrophobicContact CG1-CG 4.45Å; I209-A227 VanDerWaalsContact CD1-CA 3.49Å; I209-A227 HydrophobicContact CD1-CB 3.71Å; I209-Y230 HydrophobicContact CD1-CD1 4.14Å; I209-Y230 HydrophobicContact CD1-CG 4.42Å; I209-Y230 HydrophobicContact CG2-CD1 4.46Å; I209-Y230 HydrophobicContact CG2-CG 4.47Å |
| 210 | L | 94.1 | Very high | 91.8 | Very high | 89 Ų | 89 | 78.4 Ų | 78.4 | 47% | 0.466 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 174.4 | -71.6 | 174.8 | 0 | 0 | 0 | 111.8 | Q206 A207 Q208 K214 | Q206-L210 HydrophobicContact CG-CD1 4.14Å; Q206-L210 WeakPolarHBondContact O-CB 3.34Å; Q206-L210 WeakPolarHBondContact O-CD1 3.16Å; Q206-L210 WeakPolarHBondContact O-CG 3.49Å; Q206-L210 PolarHBondContact O-N 2.89Å; A207-L210 PolarHBondContact O-N 2.73Å; Q208-L210 VanDerWaalsContact C-N 3.34Å; Q208-L210 PolarHBondContact O-N 2.87Å; L210-K214 WeakPolarHBondContact O-CD 3.21Å; L210-K214 WeakPolarHBondContact O-CG 3.49Å; L210-K214 PolarHBondContact O-N 3.37Å |
| 211 | S | 95.8 | Very high | 92.4 | Very high | 57 Ų | 57 | 82.1 Ų | 82.1 | 40% | 0.399 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.8 | -48.3 | 172.8 | -159.8 | 0 | 0 | 0 | 0 | 111.1 | A207 Q208 I209 Y213 K214 D215 | A207-S211 PolarHBondContact O-N 2.58Å; Q208-S211 PolarHBondContact O-N 2.93Å; I209-S211 VanDerWaalsContact C-N 3.34Å; S211-Y213 VanDerWaalsContact C-N 3.32Å; S211-Y213 PolarHBondContact O-N 3.07Å; S211-K214 WeakPolarHBondContact O-CB 3.3Å; S211-K214 PolarHBondContact O-N 3.39Å; S211-D215 VanDerWaalsContact O-CG 3.3Å; S211-D215 PolarHBondContact O-N 2.66Å; S211-D215 PolarHBondContact OG-OD2 3.46Å |
| 212 | C | 95.5 | Very high | 92.9 | Very high | 24 Ų | 24 | 84.1 Ų | 84.1 | 16% | 0.162 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -57.4 | -43.5 | -177.9 | -172.2 | 0 | 0 | 0 | 0 | 112.4 | Q208 I209 D215 N216 C223 L226 | Q208-C212 WeakPolarHBondContact O-CB 3.44Å; Q208-C212 PolarHBondContact O-N 3.24Å; I209-C212 PolarHBondContact O-N 2.85Å; C212-D215 PolarHBondContact O-N 2.82Å; C212-N216 WeakPolarHBondContact O-CB 3.37Å; C212-N216 PolarHBondContact O-N 2.88Å; C212-N216 PolarHBondContact O-ND2 3.41Å; C212-C223 HydrophobicContact CB-CB 3.92Å; C212-C223 WeakPolarHBondContact CB-SG 3.46Å; C212-C223 PolarHBondContact O-SG 2.79Å; C212-C223 VanDerWaalsContact O-SG 3.34Å; C212-C223 WeakPolarHBondContact SG-CA 3.03Å; C212-C223 WeakPolarHBondContact SG-CB 3.31Å; C212-C223 CovalentContact SG-SG 2.04Å; C212-C223 PolarHBondContact SG-SG 3.27Å; C212-L226 HydrophobicContact CB-CD2 3.82Å |
| 213 | Y | 95.5 | Very high | 93.1 | Very high | 92 Ų | 92 | 83.8 Ų | 83.8 | 36% | 0.361 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.9 | -29.9 | 176.6 | -73 | -47.5 | 0 | 0 | 0 | 113.8 | I209 S211 T220 C223 | I209-Y213 HydrophobicContact CD1-CE2 3.89Å; I209-Y213 HydrophobicContact CG1-CD2 4.05Å; I209-Y213 HydrophobicContact CG1-CE2 3.65Å; I209-Y213 VanDerWaalsContact O-CD2 3.31Å; I209-Y213 WeakPolarHBondContact O-CD2 3.31Å; I209-Y213 PolarHBondContact O-N 3.44Å; I209-Y213 VanDerWaalsContact O-N 3.11Å; S211-Y213 VanDerWaalsContact C-N 3.32Å; S211-Y213 PolarHBondContact O-N 3.07Å; Y213-T220 HydrophobicContact CD1-CG2 4.02Å; Y213-T220 HydrophobicContact CE1-CG2 4.27Å; Y213-C223 HydrophobicContact CD1-CB 3.98Å; Y213-C223 HydrophobicContact CE1-CB 3.64Å |
| 214 | K | 95.4 | Very high | 93.3 | Very high | 142 Ų | 142 | 81.9 Ų | 81.9 | 62% | 0.617 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -68 | -38.5 | 173.5 | -74.3 | 170.3 | -176 | -178.1 | 0 | 111.6 | L210 S211 K217 | L210-K214 WeakPolarHBondContact O-CD 3.21Å; L210-K214 WeakPolarHBondContact O-CG 3.49Å; L210-K214 PolarHBondContact O-N 3.37Å; S211-K214 WeakPolarHBondContact O-CB 3.3Å; S211-K214 PolarHBondContact O-N 3.39Å; K214-K217 WeakPolarHBondContact O-CE 3.46Å; K214-K217 WeakPolarHBondContact O-CG 3.38Å |
| 215 | D | 95.1 | Very high | 93.5 | Very high | 120 Ų | 120 | 84.4 Ų | 84.4 | 64% | 0.642 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -82.1 | -22.2 | -177.6 | -58.7 | -30.4 | 0 | 0 | 0 | 112.3 | S211 C212 | S211-D215 VanDerWaalsContact O-CG 3.3Å; S211-D215 PolarHBondContact O-N 2.66Å; S211-D215 PolarHBondContact OG-OD2 3.46Å; C212-D215 PolarHBondContact O-N 2.82Å |
| 216 | N | 91.9 | Very high | 93.6 | Very high | 44 Ų | 44 | 84 Ų | 84 | 24% | 0.235 | 43% | 0.433 | C | S | . | . | trans | -125.6 | 55 | -177 | -59.6 | -89.5 | 0 | 0 | 0 | 112.8 | C212 D218 Q219 T220 | C212-N216 WeakPolarHBondContact O-CB 3.37Å; C212-N216 PolarHBondContact O-N 2.88Å; C212-N216 PolarHBondContact O-ND2 3.41Å; N216-D218 VanDerWaalsContact C-N 3.35Å; N216-D218 PolarHBondContact O-N 2.69Å; N216-Q219 CarbonylContact O-C 3.43Å; N216-Q219 PolarHBondContact O-N 3.5Å; N216-T220 PolarHBondContact O-N 3.14Å | ||
| 217 | K | 89.6 | Confident | 93.7 | Very high | 157 Ų | 157 | 81.7 Ų | 81.7 | 68% | 0.683 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -42 | -174.3 | -63.3 | -179.6 | -175.9 | 173.5 | 0 | 114 | K214 | K214-K217 WeakPolarHBondContact O-CE 3.46Å; K214-K217 WeakPolarHBondContact O-CG 3.38Å |
| 218 | D | 90.9 | Very high | 93.7 | Very high | 160 Ų | 160 | 84.3 Ų | 84.3 | 86% | 0.856 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -1.6 | -176.9 | -52.9 | -41.7 | 0 | 0 | 0 | 112.9 | N216 | N216-D218 VanDerWaalsContact C-N 3.35Å; N216-D218 PolarHBondContact O-N 2.69Å |
| 219 | Q | 90.3 | Very high | 93.7 | Very high | 106 Ų | 106 | 84 Ų | 84 | 50% | 0.495 | 42% | 0.423 | S | S | . | . | trans | -135.4 | 48.3 | -174.8 | -62.3 | -178.3 | 22.1 | 0 | 0 | 111.3 | N216 L221 K222 | N216-Q219 CarbonylContact O-C 3.43Å; N216-Q219 PolarHBondContact O-N 3.5Å; Q219-L221 PolarHBondContact O-N 3.22Å; Q219-L221 VanDerWaalsContact O-N 3.08Å; Q219-K222 HydrophobicContact CB-CD 4.21Å; Q219-K222 WeakPolarHBondContact O-CB 3.07Å; Q219-K222 PolarHBondContact O-N 2.78Å | ||
| 220 | T | 90.6 | Very high | 93.7 | Very high | 68 Ų | 68 | 85.7 Ų | 85.7 | 42% | 0.417 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -58.6 | -23.8 | -174 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | Y213 N216 K222 C223 | Y213-T220 HydrophobicContact CD1-CG2 4.02Å; Y213-T220 HydrophobicContact CE1-CG2 4.27Å; N216-T220 PolarHBondContact O-N 3.14Å; T220-K222 PolarHBondContact O-N 2.95Å; T220-C223 WeakPolarHBondContact O-CB 3.42Å; T220-C223 PolarHBondContact O-N 3.32Å |
| 221 | L | 91.9 | Very high | 93.6 | Very high | 147 Ų | 147 | 85.9 Ų | 85.9 | 77% | 0.77 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -64.1 | -22.9 | 176.2 | -66.6 | 175.7 | 0 | 0 | 0 | 113.1 | Q219 C223 S224 | Q219-L221 PolarHBondContact O-N 3.22Å; Q219-L221 VanDerWaalsContact O-N 3.08Å; L221-C223 PolarHBondContact O-N 2.94Å; L221-S224 WeakPolarHBondContact O-CB 3.45Å; L221-S224 PolarHBondContact O-N 2.68Å; L221-S224 PolarHBondContact O-OG 3.02Å |
| 222 | K | 92.7 | Very high | 93.5 | Very high | 136 Ų | 136 | 89.4 Ų | 89.4 | 59% | 0.591 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -63.8 | -21.8 | 172.5 | -72 | 179.8 | 167.7 | 173.3 | 0 | 113 | Q219 T220 S224 | Q219-K222 HydrophobicContact CB-CD 4.21Å; Q219-K222 WeakPolarHBondContact O-CB 3.07Å; Q219-K222 PolarHBondContact O-N 2.78Å; T220-K222 PolarHBondContact O-N 2.95Å; K222-S224 VanDerWaalsContact C-N 3.34Å |
| 223 | C | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 90 Ų | 90 | 1% | 0.007 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -91.6 | 6.4 | 176.8 | -53 | 0 | 0 | 0 | 0 | 112.7 | C212 Y213 T220 L221 D225 L226 A227 | C212-C223 HydrophobicContact CB-CB 3.92Å; C212-C223 WeakPolarHBondContact CB-SG 3.46Å; C212-C223 PolarHBondContact O-SG 2.79Å; C212-C223 VanDerWaalsContact O-SG 3.34Å; C212-C223 WeakPolarHBondContact SG-CA 3.03Å; C212-C223 WeakPolarHBondContact SG-CB 3.31Å; C212-C223 CovalentContact SG-SG 2.04Å; C212-C223 PolarHBondContact SG-SG 3.27Å; Y213-C223 HydrophobicContact CD1-CB 3.98Å; Y213-C223 HydrophobicContact CE1-CB 3.64Å; T220-C223 WeakPolarHBondContact O-CB 3.42Å; T220-C223 PolarHBondContact O-N 3.32Å; L221-C223 PolarHBondContact O-N 2.94Å; C223-D225 VanDerWaalsContact C-N 3.33Å; C223-D225 PolarHBondContact O-N 3.36Å; C223-L226 PolarHBondContact O-N 2.98Å; C223-A227 WeakPolarHBondContact O-CB 3.06Å; C223-A227 PolarHBondContact O-N 3Å |
| 224 | S | 94.9 | Very high | 93.1 | Very high | 41 Ų | 41 | 87 Ų | 87 | 29% | 0.287 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.8 | -37.4 | -172.4 | 64.2 | 0 | 0 | 0 | 0 | 113.4 | L221 K222 A227 K228 | L221-S224 WeakPolarHBondContact O-CB 3.45Å; L221-S224 PolarHBondContact O-N 2.68Å; L221-S224 PolarHBondContact O-OG 3.02Å; K222-S224 VanDerWaalsContact C-N 3.34Å; S224-A227 PolarHBondContact O-N 3.38Å; S224-K228 VanDerWaalsContact O-CG 3.32Å; S224-K228 WeakPolarHBondContact O-CG 3.41Å; S224-K228 PolarHBondContact O-N 3.27Å |
| 225 | D | 94.9 | Very high | 92.8 | Very high | 95 Ų | 95 | 83.6 Ų | 83.6 | 51% | 0.508 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -73.8 | -40.5 | -177.7 | -63.3 | -30.4 | 0 | 0 | 0 | 110.9 | C223 A227 K228 E229 | C223-D225 VanDerWaalsContact C-N 3.33Å; C223-D225 PolarHBondContact O-N 3.36Å; D225-A227 VanDerWaalsContact C-N 3.29Å; D225-A227 PolarHBondContact O-N 2.87Å; D225-K228 WeakPolarHBondContact O-CB 3.3Å; D225-K228 PolarHBondContact O-N 3.11Å; D225-K228 VanDerWaalsContact O-N 3.13Å; D225-K228 IonicContact OD1-NZ 3Å; D225-K228 PolarHBondContact OD1-NZ 2.93Å; D225-E229 PolarHBondContact O-N 3.34Å |
| 226 | L | 94.6 | Very high | 92.5 | Very high | 32 Ų | 32 | 80.9 Ų | 80.9 | 17% | 0.168 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62 | -35.9 | 171.2 | -171.2 | 60.5 | 0 | 0 | 0 | 112.4 | L205 Q208 I209 C212 C223 E229 Y230 | L205-L226 HydrophobicContact CD2-CD1 4.04Å; Q208-L226 HydrophobicContact CB-CD1 4.11Å; Q208-L226 HydrophobicContact CB-CD2 3.99Å; I209-L226 HydrophobicContact CB-CD2 4.29Å; I209-L226 HydrophobicContact CB-CG 4.21Å; I209-L226 HydrophobicContact CG1-CG 4.45Å; C212-L226 HydrophobicContact CB-CD2 3.82Å; C223-L226 PolarHBondContact O-N 2.98Å; L226-E229 PolarHBondContact O-N 2.97Å; L226-Y230 WeakPolarHBondContact O-CB 3.22Å; L226-Y230 PolarHBondContact O-N 3.32Å |
| 227 | A | 94.4 | Very high | 92.1 | Very high | 19 Ų | 19 | 79.8 Ų | 79.8 | 16% | 0.157 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I209 C223 S224 D225 Y230 M231 | I209-A227 VanDerWaalsContact CD1-CA 3.49Å; I209-A227 HydrophobicContact CD1-CB 3.71Å; C223-A227 WeakPolarHBondContact O-CB 3.06Å; C223-A227 PolarHBondContact O-N 3Å; S224-A227 PolarHBondContact O-N 3.38Å; D225-A227 VanDerWaalsContact C-N 3.29Å; D225-A227 PolarHBondContact O-N 2.87Å; A227-Y230 PolarHBondContact O-N 3.46Å; A227-M231 WeakPolarHBondContact O-CB 3.01Å; A227-M231 VanDerWaalsContact O-CG 3.29Å; A227-M231 WeakPolarHBondContact O-CG 3.4Å; A227-M231 PolarHBondContact O-N 2.97Å |
| 228 | K | 95.2 | Very high | 91.8 | Very high | 117 Ų | 117 | 77.5 Ų | 77.5 | 51% | 0.509 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 174 | -69.7 | 167.6 | -163.1 | 158.4 | 0 | 110.9 | S224 D225 M231 Q232 | S224-K228 VanDerWaalsContact O-CG 3.32Å; S224-K228 WeakPolarHBondContact O-CG 3.41Å; S224-K228 PolarHBondContact O-N 3.27Å; D225-K228 WeakPolarHBondContact O-CB 3.3Å; D225-K228 PolarHBondContact O-N 3.11Å; D225-K228 VanDerWaalsContact O-N 3.13Å; D225-K228 IonicContact OD1-NZ 3Å; D225-K228 PolarHBondContact OD1-NZ 2.93Å; K228-M231 PolarHBondContact O-N 3.38Å; K228-Q232 WeakPolarHBondContact O-CB 3.25Å; K228-Q232 VanDerWaalsContact O-CG 3.25Å; K228-Q232 WeakPolarHBondContact O-CG 3.08Å; K228-Q232 PolarHBondContact O-N 3.23Å |
| 229 | E | 94.4 | Very high | 91.3 | Very high | 102 Ų | 102 | 76.9 Ų | 76.9 | 48% | 0.477 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 177.6 | -73.4 | 177.6 | -168.7 | 0 | 0 | 112 | L205 D225 L226 M231 Q232 C233 | L205-E229 HydrophobicContact CD2-CB 4.36Å; D225-E229 PolarHBondContact O-N 3.34Å; L226-E229 PolarHBondContact O-N 2.97Å; E229-M231 VanDerWaalsContact C-N 3.34Å; E229-M231 PolarHBondContact O-N 3.19Å; E229-Q232 PolarHBondContact O-N 3.49Å; E229-C233 WeakPolarHBondContact O-CB 3.5Å; E229-C233 PolarHBondContact O-N 3.48Å |
| 230 | Y | 94.3 | Very high | 90.3 | Very high | 50 Ų | 50 | 75 Ų | 75 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 174.6 | -179.6 | -118.6 | 0 | 0 | 0 | 112 | C202 L205 Q206 I209 L226 A227 C233 I234 | C202-Y230 HydrophobicContact CB-CD2 4.02Å; C202-Y230 HydrophobicContact CB-CE2 3.89Å; L205-Y230 HydrophobicContact CB-CD2 3.77Å; Q206-Y230 HydrophobicContact CB-CE2 3.71Å; Q206-Y230 HydrophobicContact CG-CE2 4.36Å; I209-Y230 HydrophobicContact CD1-CD1 4.14Å; I209-Y230 HydrophobicContact CD1-CG 4.42Å; I209-Y230 HydrophobicContact CG2-CD1 4.46Å; I209-Y230 HydrophobicContact CG2-CG 4.47Å; L226-Y230 WeakPolarHBondContact O-CB 3.22Å; L226-Y230 PolarHBondContact O-N 3.32Å; A227-Y230 PolarHBondContact O-N 3.46Å; Y230-C233 PolarHBondContact O-N 3.19Å; Y230-I234 HydrophobicContact CD1-CD1 3.73Å; Y230-I234 HydrophobicContact CD2-CD1 4.34Å; Y230-I234 HydrophobicContact CE1-CD1 3.31Å; Y230-I234 HydrophobicContact CE1-CG1 4.42Å; Y230-I234 HydrophobicContact CE2-CD1 3.98Å; Y230-I234 HydrophobicContact CE2-CG1 4.28Å; Y230-I234 HydrophobicContact CG-CD1 4.24Å; Y230-I234 VanDerWaalsContact CZ-CD1 3.45Å; Y230-I234 WeakPolarHBondContact O-CG1 3.25Å; Y230-I234 PolarHBondContact O-N 2.89Å |
| 231 | M | 91.9 | Very high | 89 | Confident | 93 Ų | 93 | 76.7 Ų | 76.7 | 46% | 0.458 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 176.7 | -75.7 | -60.1 | -58.2 | 0 | 0 | 112.8 | A227 K228 E229 I234 N235 | A227-M231 WeakPolarHBondContact O-CB 3.01Å; A227-M231 VanDerWaalsContact O-CG 3.29Å; A227-M231 WeakPolarHBondContact O-CG 3.4Å; A227-M231 PolarHBondContact O-N 2.97Å; K228-M231 PolarHBondContact O-N 3.38Å; E229-M231 VanDerWaalsContact C-N 3.34Å; E229-M231 PolarHBondContact O-N 3.19Å; M231-I234 PolarHBondContact O-N 3.42Å; M231-I234 HydrophobicContact SD-CD1 4.29Å; M231-N235 WeakPolarHBondContact O-CB 3.43Å; M231-N235 PolarHBondContact O-N 2.96Å; M231-N235 PolarHBondContact O-ND2 2.8Å; M231-N235 VanDerWaalsContact O-ND2 3.13Å |
| 232 | Q | 93.9 | Very high | 87.4 | Confident | 131 Ų | 131 | 77.3 Ų | 77.3 | 61% | 0.612 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.2 | -43.5 | 174.4 | -74.8 | 172.4 | 14.7 | 0 | 0 | 111.2 | K228 E229 N235 A236 | K228-Q232 WeakPolarHBondContact O-CB 3.25Å; K228-Q232 VanDerWaalsContact O-CG 3.25Å; K228-Q232 WeakPolarHBondContact O-CG 3.08Å; K228-Q232 PolarHBondContact O-N 3.23Å; E229-Q232 PolarHBondContact O-N 3.49Å; Q232-N235 PolarHBondContact O-N 2.88Å; Q232-A236 WeakPolarHBondContact O-CB 3.44Å; Q232-A236 PolarHBondContact O-N 3.44Å |
| 233 | C | 92.2 | Very high | 85.3 | Confident | 38 Ų | 38 | 78.2 Ų | 78.2 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 175.2 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | C202 L205 E229 Y230 N235 A236 A237 | C202-C233 HydrophobicContact CB-CB 4.05Å; C202-C233 WeakPolarHBondContact CB-SG 3.32Å; C202-C233 WeakPolarHBondContact SG-CB 3.44Å; C202-C233 CovalentContact SG-SG 2.03Å; C202-C233 PolarHBondContact SG-SG 2.76Å; L205-C233 HydrophobicContact CD1-CB 3.59Å; E229-C233 WeakPolarHBondContact O-CB 3.5Å; E229-C233 PolarHBondContact O-N 3.48Å; Y230-C233 PolarHBondContact O-N 3.19Å; C233-N235 VanDerWaalsContact C-N 3.33Å; C233-N235 PolarHBondContact O-N 3.34Å; C233-A236 PolarHBondContact O-N 3.32Å; C233-A237 WeakPolarHBondContact O-CB 3.4Å; C233-A237 PolarHBondContact O-N 3.44Å |
| 234 | I | 90.7 | Very high | 82.6 | Confident | 29 Ų | 29 | 85 Ų | 85 | 15% | 0.149 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 175.2 | -69.7 | 164.2 | 0 | 0 | 0 | 111.1 | Y230 M231 A237 K238 | Y230-I234 HydrophobicContact CD1-CD1 3.73Å; Y230-I234 HydrophobicContact CD2-CD1 4.34Å; Y230-I234 HydrophobicContact CE1-CD1 3.31Å; Y230-I234 HydrophobicContact CE1-CG1 4.42Å; Y230-I234 HydrophobicContact CE2-CD1 3.98Å; Y230-I234 HydrophobicContact CE2-CG1 4.28Å; Y230-I234 HydrophobicContact CG-CD1 4.24Å; Y230-I234 VanDerWaalsContact CZ-CD1 3.45Å; Y230-I234 WeakPolarHBondContact O-CG1 3.25Å; Y230-I234 PolarHBondContact O-N 2.89Å; M231-I234 PolarHBondContact O-N 3.42Å; M231-I234 HydrophobicContact SD-CD1 4.29Å; I234-A237 PolarHBondContact O-N 2.66Å; I234-K238 HydrophobicContact CG2-CD 3.94Å; I234-K238 HydrophobicContact CG2-CG 4.28Å; I234-K238 WeakPolarHBondContact O-CB 3.32Å; I234-K238 VanDerWaalsContact O-CG 3.3Å; I234-K238 WeakPolarHBondContact O-CG 3.47Å; I234-K238 PolarHBondContact O-N 3.04Å |
| 235 | N | 89.4 | Confident | 80 | Confident | 70 Ų | 70 | 88.1 Ų | 88.1 | 37% | 0.374 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.9 | -37 | -177.1 | -72.8 | -28.1 | 0 | 0 | 0 | 112.4 | M231 Q232 C233 A237 K238 K239 | M231-N235 WeakPolarHBondContact O-CB 3.43Å; M231-N235 PolarHBondContact O-N 2.96Å; M231-N235 PolarHBondContact O-ND2 2.8Å; M231-N235 VanDerWaalsContact O-ND2 3.13Å; Q232-N235 PolarHBondContact O-N 2.88Å; C233-N235 VanDerWaalsContact C-N 3.33Å; C233-N235 PolarHBondContact O-N 3.34Å; N235-A237 VanDerWaalsContact C-N 3.35Å; N235-K238 PolarHBondContact O-N 2.04Å; N235-K239 VanDerWaalsContact O-CG 3.3Å; N235-K239 WeakPolarHBondContact O-CG 3.45Å; N235-K239 PolarHBondContact O-N 2.75Å |
| 236 | A | 88.3 | Confident | 77.6 | Confident | 62 Ų | 62 | 89 Ų | 89 | 51% | 0.512 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q232 C233 K239 S240 | Q232-A236 WeakPolarHBondContact O-CB 3.44Å; Q232-A236 PolarHBondContact O-N 3.44Å; C233-A236 PolarHBondContact O-N 3.32Å; A236-K239 WeakPolarHBondContact O-CB 3.32Å; A236-K239 PolarHBondContact O-N 2.03Å; A236-S240 PolarHBondContact O-N 2.77Å |
| 237 | A | 84.8 | Confident | 75 | Confident | 21 Ų | 21 | 92.7 Ų | 92.7 | 17% | 0.174 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -70.3 | -35.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V201 C233 I234 N235 K239 S240 V241 | V201-A237 HydrophobicContact CB-CB 4.42Å; V201-A237 HydrophobicContact CG1-CB 2.98Å; C233-A237 WeakPolarHBondContact O-CB 3.4Å; C233-A237 PolarHBondContact O-N 3.44Å; I234-A237 PolarHBondContact O-N 2.66Å; N235-A237 VanDerWaalsContact C-N 3.35Å; A237-K239 VanDerWaalsContact C-N 3.32Å; A237-K239 PolarHBondContact O-N 2.83Å; A237-S240 VanDerWaalsContact CA-OG 3.31Å; A237-S240 WeakPolarHBondContact CA-OG 3.29Å; A237-S240 PolarHBondContact O-N 3.2Å; A237-S240 PolarHBondContact O-OG 3.37Å; A237-V241 VanDerWaalsContact O-CG2 3.25Å; A237-V241 WeakPolarHBondContact O-CG2 3.42Å; A237-V241 PolarHBondContact O-N 3.08Å |
| 238 | K | 82.4 | Confident | 72.5 | Confident | 109 Ų | 109 | 97 Ų | 97 | 47% | 0.474 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.9 | -49.2 | 168.9 | -79 | 174.8 | 178.4 | 177.4 | 0 | 109.8 | I234 N235 S240 V241 F242 | I234-K238 HydrophobicContact CG2-CD 3.94Å; I234-K238 HydrophobicContact CG2-CG 4.28Å; I234-K238 WeakPolarHBondContact O-CB 3.32Å; I234-K238 VanDerWaalsContact O-CG 3.3Å; I234-K238 WeakPolarHBondContact O-CG 3.47Å; I234-K238 PolarHBondContact O-N 3.04Å; N235-K238 PolarHBondContact O-N 2.04Å; K238-S240 VanDerWaalsContact C-N 3.31Å; K238-S240 PolarHBondContact O-N 2.96Å; K238-V241 PolarHBondContact O-N 3.31Å; K238-F242 HydrophobicContact CB-CD2 4.37Å; K238-F242 HydrophobicContact CB-CE2 4.17Å; K238-F242 WeakPolarHBondContact O-CD2 3.31Å; K238-F242 PolarHBondContact O-N 2.86Å |
| 239 | K | 80.7 | Confident | 69.8 | Low | 147 Ų | 147 | 95 Ų | 95 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.9 | -39.4 | 177.3 | -71.9 | 173.6 | -178.2 | -176 | 0 | 112.5 | N235 A236 A237 F242 H243 | N235-K239 VanDerWaalsContact O-CG 3.3Å; N235-K239 WeakPolarHBondContact O-CG 3.45Å; N235-K239 PolarHBondContact O-N 2.75Å; A236-K239 WeakPolarHBondContact O-CB 3.32Å; A236-K239 PolarHBondContact O-N 2.03Å; A237-K239 VanDerWaalsContact C-N 3.32Å; A237-K239 PolarHBondContact O-N 2.83Å; K239-F242 PolarHBondContact O-N 2.81Å; K239-H243 PolarHBondContact O-N 3.49Å |
| 240 | S | 68.1 | Low | 67.3 | Low | 67 Ų | 67 | 98.8 Ų | 98.8 | 47% | 0.469 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.4 | -33.8 | 177 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | A236 A237 K238 H243 H244 | A236-S240 PolarHBondContact O-N 2.77Å; A237-S240 VanDerWaalsContact CA-OG 3.31Å; A237-S240 WeakPolarHBondContact CA-OG 3.29Å; A237-S240 PolarHBondContact O-N 3.2Å; A237-S240 PolarHBondContact O-OG 3.37Å; K238-S240 VanDerWaalsContact C-N 3.31Å; K238-S240 PolarHBondContact O-N 2.96Å; S240-H243 PolarHBondContact O-N 2.92Å; S240-H244 PolarHBondContact O-N 3.28Å |
| 241 | V | 65 | Low | 64.7 | Low | 103 Ų | 103 | 101.1 Ų | 101.1 | 62% | 0.624 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.2 | -32.4 | 175 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | A237 K238 | A237-V241 VanDerWaalsContact O-CG2 3.25Å; A237-V241 WeakPolarHBondContact O-CG2 3.42Å; A237-V241 PolarHBondContact O-N 3.08Å; K238-V241 PolarHBondContact O-N 3.31Å |
| 242 | F | 56.7 | Low | 62.1 | Low | 160 Ų | 160 | 99.7 Ų | 99.7 | 70% | 0.702 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -5.1 | 175.7 | -67.4 | -63.9 | 0 | 0 | 0 | 114.5 | K238 K239 | K238-F242 HydrophobicContact CB-CD2 4.37Å; K238-F242 HydrophobicContact CB-CE2 4.17Å; K238-F242 WeakPolarHBondContact O-CD2 3.31Å; K238-F242 PolarHBondContact O-N 2.86Å; K239-F242 PolarHBondContact O-N 2.81Å |
| 243 | H | 48.9 | Very low | 59.7 | Low | 155 Ų | 155 | 104 Ų | 104 | 72% | 0.718 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -6.3 | 178.8 | -76 | 1.6 | 0 | 0 | 0 | 114.6 | K239 S240 P245 | K239-H243 PolarHBondContact O-N 3.49Å; S240-H243 PolarHBondContact O-N 2.92Å; H243-P245 VanDerWaalsContact O-CD 3.29Å; H243-P245 WeakPolarHBondContact O-CD 3.3Å |
| 244 | H | 39.4 | Very low | 57 | Low | 143 Ų | 143 | 107.1 Ų | 107.1 | 66% | 0.662 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -90.2 | 109.6 | 154.8 | -90.7 | -73.8 | 0 | 0 | 0 | 108.1 | S240 T246 | S240-H244 PolarHBondContact O-N 3.28Å; H244-T246 PolarHBondContact O-N 3.23Å |
| 245 | P | 40.9 | Very low | 54.7 | Low | 108 Ų | 108 | 114.1 Ų | 114.1 | 70% | 0.701 | 63% | 0.63 | S | S | * | * | trans | -64.8 | 92.4 | 150.4 | 29.8 | -25.8 | 0 | 0 | 0 | 103.4 | H243 P247 | H243-P245 VanDerWaalsContact O-CD 3.29Å; H243-P245 WeakPolarHBondContact O-CD 3.3Å; P245-P247 VanDerWaalsContact C-N 3.26Å; P245-P247 WeakPolarHBondContact O-CD 2.93Å | ||
| 246 | T | 43.3 | Very low | 52.5 | Low | 114 Ų | 114 | 116.1 Ų | 116.1 | 70% | 0.699 | 64% | 0.644 | S | S | * | * | trans | -53.9 | 110.8 | 148.5 | 32.7 | 0 | 0 | 0 | 0 | 103 | H244 C248 | H244-T246 PolarHBondContact O-N 3.23Å; T246-C248 PolarHBondContact O-N 3.06Å | ||
| 247 | P | 40.1 | Very low | 50.2 | Low | 109 Ų | 109 | 120 Ų | 120 | 71% | 0.708 | 65% | 0.652 | S | S | * | * | trans | -68.1 | 99.1 | 171.7 | 11.5 | 4.1 | 0 | 0 | 0 | 102.2 | P245 A249 | P245-P247 VanDerWaalsContact C-N 3.26Å; P245-P247 WeakPolarHBondContact O-CD 2.93Å; P247-A249 HydrophobicContact CB-CB 4.15Å; P247-A249 PolarHBondContact O-N 3.28Å | ||
| 248 | C | 42.9 | Very low | 48.4 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 74% | 0.736 | 67% | 0.674 | S | S | * | * | trans | -59.3 | 77.7 | 130.6 | -65.6 | 0 | 0 | 0 | 0 | 104.1 | T246 F250 | T246-C248 PolarHBondContact O-N 3.06Å; C248-F250 PolarHBondContact O-N 3.03Å | ||
| 249 | A | 37 | Very low | 46.5 | Very low | 75 Ų | 75 | 120.8 Ų | 120.8 | 62% | 0.62 | 68% | 0.675 | S | S | * | * | trans | -65.8 | 76.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 103.5 | P247 S251 | P247-A249 HydrophobicContact CB-CB 4.15Å; P247-A249 PolarHBondContact O-N 3.28Å; A249-S251 PolarHBondContact O-N 3.06Å | ||
| 250 | F | 42.7 | Very low | 45.1 | Very low | 182 Ų | 182 | 118.8 Ų | 118.8 | 80% | 0.798 | 68% | 0.677 | S | S | * | * | trans | -54.8 | 83.9 | 133.5 | -105.9 | -97.8 | 0 | 0 | 0 | 103.8 | C248 G252 | C248-F250 PolarHBondContact O-N 3.03Å; F250-G252 PolarHBondContact O-N 3.39Å | ||
| 251 | S | 38.6 | Very low | 44 | Very low | 99 Ų | 99 | 117.5 Ų | 117.5 | 69% | 0.692 | 67% | 0.667 | S | S | * | * | trans | -57.3 | 90.7 | 147.6 | 43.7 | 0 | 0 | 0 | 0 | 102.9 | A249 R253 | A249-S251 PolarHBondContact O-N 3.06Å; S251-R253 PolarHBondContact O-N 2.92Å | ||
| 252 | G | 39 | Very low | 43 | Very low | 63 Ų | 63 | 117.8 Ų | 117.8 | 65% | 0.649 | 68% | 0.68 | S | S | * | * | trans | -62.6 | 72.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | F250 | F250-G252 PolarHBondContact O-N 3.39Š| ||
| 253 | R | 42.7 | Very low | 42.4 | Very low | 222 Ų | 222 | 113.8 Ų | 113.8 | 84% | 0.838 | 68% | 0.684 | S | S | * | * | trans | -63.5 | 125.5 | 134.6 | -77.3 | -177 | -179.1 | -108.7 | -1.2 | 103.5 | S251 F255 | S251-R253 PolarHBondContact O-N 2.92Å; R253-F255 PolarHBondContact O-N 3.35Å; R253-F255 VanDerWaalsContact O-N 3.14Å | ||
| 254 | P | 36.4 | Very low | 42.1 | Very low | 102 Ų | 102 | 110.3 Ų | 110.3 | 66% | 0.662 | 67% | 0.67 | S | S | * | * | trans | -48.5 | 132.6 | 168.7 | 20.5 | -28.8 | 0 | 0 | 0 | 106.3 | V256 | P254-V256 HydrophobicContact CB-CG2 4.45Å; P254-V256 HydrophobicContact CG-CG2 4.15Å; P254-V256 PolarHBondContact O-N 3.37Å | ||
| 255 | F | 41.7 | Very low | 42.2 | Very low | 176 Ų | 176 | 114.9 Ų | 114.9 | 77% | 0.772 | 68% | 0.681 | S | S | * | * | trans | -57.7 | 88 | 154.8 | -179.6 | -101.1 | 0 | 0 | 0 | 104.1 | R253 E257 | R253-F255 PolarHBondContact O-N 3.35Å; R253-F255 VanDerWaalsContact O-N 3.14Å; F255-E257 HydrophobicContact CD1-CG 4.11Å; F255-E257 HydrophobicContact CE1-CB 4.28Å; F255-E257 HydrophobicContact CE1-CG 3.6Å; F255-E257 PolarHBondContact O-N 3.39Å | ||
| 256 | V | 42.6 | Very low | 42.3 | Very low | 112 Ų | 112 | 119.5 Ų | 119.5 | 68% | 0.679 | 69% | 0.693 | S | S | * | * | trans | -64.3 | 97.6 | 158.3 | 178.2 | 0 | 0 | 0 | 0 | 100.2 | P254 P258 | P254-V256 HydrophobicContact CB-CG2 4.45Å; P254-V256 HydrophobicContact CG-CG2 4.15Å; P254-V256 PolarHBondContact O-N 3.37Å; V256-P258 VanDerWaalsContact O-N 3.14Å | ||
| 257 | E | 40.7 | Very low | 42.4 | Very low | 145 Ų | 145 | 117.5 Ų | 117.5 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | trans | -36.1 | 127.7 | 154.6 | -99.6 | -171.1 | 119.3 | 0 | 0 | 105 | F255 G259 | F255-E257 HydrophobicContact CD1-CG 4.11Å; F255-E257 HydrophobicContact CE1-CB 4.28Å; F255-E257 HydrophobicContact CE1-CG 3.6Å; F255-E257 PolarHBondContact O-N 3.39Å; E257-G259 PolarHBondContact O-N 2.96Å | ||
| 258 | P | 47 | Very low | 42.8 | Very low | 99 Ų | 99 | 115.4 Ų | 115.4 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | trans | -61.3 | 85.7 | 166.2 | 24.8 | -29.2 | 0 | 0 | 0 | 105.4 | V256 | V256-P258 VanDerWaalsContact O-N 3.14Š| ||
| 259 | G | 42.6 | Very low | 43 | Very low | 47 Ų | 47 | 115.8 Ų | 115.8 | 49% | 0.485 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 142.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 105.7 | E257 | E257-G259 PolarHBondContact O-N 2.96Š|
| 260 | P | 50.4 | Low | 43.4 | Very low | 104 Ų | 104 | 115.1 Ų | 115.1 | 68% | 0.675 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -49.7 | 138.4 | -179.4 | 22.6 | -32.8 | 0 | 0 | 0 | 108.3 | A262 | P260-A262 PolarHBondContact O-N 3.44Š|
| 261 | P | 45 | Very low | 43.7 | Very low | 41 Ų | 41 | 109 Ų | 109 | 27% | 0.266 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -48 | 118.9 | -171.9 | 18.3 | -32.1 | 0 | 0 | 0 | 109.7 | G263 | P261-G263 PolarHBondContact O-N 2.97Š|
| 262 | A | 45.4 | Very low | 43.8 | Very low | 108 Ų | 108 | 110 Ų | 110 | 89% | 0.893 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | 111.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | P260 | P260-A262 PolarHBondContact O-N 3.44Š|
| 263 | G | 43.3 | Very low | 44.3 | Very low | 76 Ų | 76 | 116.8 Ų | 116.8 | 78% | 0.784 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154.5 | -17.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P261 R265 | P261-G263 PolarHBondContact O-N 2.97Å; G263-R265 PolarHBondContact O-N 3.13Å |
| 264 | I | 42.3 | Very low | 44.6 | Very low | 83 Ų | 83 | 110.4 Ų | 110.4 | 43% | 0.426 | 66% | 0.655 | S | S | . | * | trans | -93 | 97.3 | 176.4 | -49.4 | -164.7 | 0 | 0 | 0 | 109.1 | E266 F272 | I264-E266 PolarHBondContact O-N 3Å; I264-F272 HydrophobicContact CD1-CD2 4.38Å; I264-F272 HydrophobicContact CD1-CE2 3.21Å; I264-F272 HydrophobicContact CD1-CZ 3.41Å; I264-F272 VanDerWaalsContact CD1-CZ 3.41Å | ||
| 265 | R | 41.9 | Very low | 45 | Very low | 238 Ų | 238 | 109.1 Ų | 109.1 | 90% | 0.898 | 65% | 0.647 | S | S | * | * | trans | -47.6 | 129.8 | 160.9 | -91.9 | 179.4 | 161.5 | -138 | -2.2 | 108.7 | G263 G267 | G263-R265 PolarHBondContact O-N 3.13Å; R265-G267 PolarHBondContact O-N 3.3Å | ||
| 266 | E | 43.3 | Very low | 45.4 | Very low | 205 Ų | 205 | 109.6 Ų | 109.6 | 96% | 0.958 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -43.6 | 109.8 | 174.1 | -67.8 | 174.3 | 137.5 | 0 | 0 | 110.5 | I264 | I264-E266 PolarHBondContact O-N 3Š|
| 267 | G | 45.7 | Very low | 45.5 | Very low | 72 Ų | 72 | 108.1 Ų | 108.1 | 74% | 0.742 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 176.1 | -22.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R265 | R265-G267 PolarHBondContact O-N 3.3Š|
| 268 | S | 47.4 | Very low | 46 | Very low | 66 Ų | 66 | 104.9 Ų | 104.9 | 46% | 0.462 | 63% | 0.629 | S | S | . | * | trans | -127.3 | 46.5 | -173.6 | -75.1 | 0 | 0 | 0 | 0 | 114.6 | G270 A271 | S268-G270 PolarHBondContact O-N 2.98Å; S268-A271 PolarHBondContact O-N 3.43Å | ||
| 269 | S | 48.3 | Very low | 46.1 | Very low | 117 Ų | 117 | 106.6 Ų | 106.6 | 82% | 0.818 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -12.2 | 169.6 | -79.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 270 | G | 44.2 | Very low | 46.4 | Very low | 60 Ų | 60 | 108.5 Ų | 108.5 | 62% | 0.619 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -23.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S268 T274 | S268-G270 PolarHBondContact O-N 2.98Å; G270-T274 PolarHBondContact O-OG1 3.26Å |
| 271 | A | 48.7 | Very low | 46.3 | Very low | 53 Ų | 53 | 108.6 Ų | 108.6 | 44% | 0.438 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -87 | -23.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S268 T274 C275 | S268-A271 PolarHBondContact O-N 3.43Å; A271-T274 PolarHBondContact O-OG1 3.43Å; A271-C275 PolarHBondContact O-N 3.49Å |
| 272 | F | 42.3 | Very low | 46.5 | Very low | 121 Ų | 121 | 113.4 Ų | 113.4 | 53% | 0.531 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -75.1 | -30.9 | 179.9 | -89.6 | -92.4 | 0 | 0 | 0 | 113.2 | I264 T274 | I264-F272 HydrophobicContact CD1-CD2 4.38Å; I264-F272 HydrophobicContact CD1-CE2 3.21Å; I264-F272 HydrophobicContact CD1-CZ 3.41Å; I264-F272 VanDerWaalsContact CD1-CZ 3.41Å; F272-T274 VanDerWaalsContact C-N 3.32Å |
| 273 | R | 48.6 | Very low | 46.8 | Very low | 205 Ų | 205 | 115.8 Ų | 115.8 | 77% | 0.774 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.7 | -35.3 | 176.2 | -71.2 | -177.4 | -172.9 | -103.7 | -0.4 | 111.7 | S277 | R273-S277 PolarHBondContact O-N 3Å |
| 274 | T | 48.8 | Very low | 47.2 | Very low | 89 Ų | 89 | 118.8 Ų | 118.8 | 55% | 0.546 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.6 | -39.3 | 180 | 21 | 0 | 0 | 0 | 0 | 112.7 | G270 A271 F272 S277 T278 | G270-T274 PolarHBondContact O-OG1 3.26Å; A271-T274 PolarHBondContact O-OG1 3.43Å; F272-T274 VanDerWaalsContact C-N 3.32Å; T274-S277 PolarHBondContact O-N 3.39Å; T274-T278 PolarHBondContact O-N 2.84Å; T274-T278 VanDerWaalsContact O-N 3.16Å; T274-T278 PolarHBondContact O-OG1 3.13Å |
| 275 | C | 45.8 | Very low | 47.7 | Very low | 75 Ų | 75 | 121.3 Ų | 121.3 | 51% | 0.507 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.9 | -38.4 | -177.3 | -151.2 | 0 | 0 | 0 | 0 | 112.8 | A271 T278 M279 | A271-C275 PolarHBondContact O-N 3.49Å; C275-T278 WeakPolarHBondContact CA-OG1 3.29Å; C275-T278 PolarHBondContact O-N 2.83Å; C275-T278 PolarHBondContact O-OG1 3.27Å; C275-M279 PolarHBondContact O-N 3.46Å |
| 276 | W | 48.5 | Very low | 48.2 | Very low | 185 Ų | 185 | 117.9 Ų | 117.9 | 70% | 0.701 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.5 | -43.4 | 174.8 | -117.7 | 56.9 | 0 | 0 | 0 | 112.3 | T278 M279 D280 | W276-T278 PolarHBondContact O-N 2.92Å; W276-M279 PolarHBondContact O-N 2.91Å; W276-D280 PolarHBondContact O-N 2.81Å |
| 277 | S | 46.1 | Very low | 48.7 | Very low | 81 Ų | 81 | 116 Ų | 116 | 57% | 0.566 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.9 | -35.6 | 177.6 | -77.1 | 0 | 0 | 0 | 0 | 113.4 | R273 T274 E281 | R273-S277 PolarHBondContact O-N 3Å; T274-S277 PolarHBondContact O-N 3.39Å; S277-E281 PolarHBondContact O-N 3.4Å |
| 278 | T | 50.8 | Low | 49 | Very low | 78 Ų | 78 | 121.3 Ų | 121.3 | 48% | 0.479 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.3 | -33.2 | 177.5 | 30.6 | 0 | 0 | 0 | 0 | 113.9 | T274 C275 W276 E281 E282 | T274-T278 PolarHBondContact O-N 2.84Å; T274-T278 VanDerWaalsContact O-N 3.16Å; T274-T278 PolarHBondContact O-OG1 3.13Å; C275-T278 WeakPolarHBondContact CA-OG1 3.29Å; C275-T278 PolarHBondContact O-N 2.83Å; C275-T278 PolarHBondContact O-OG1 3.27Å; W276-T278 PolarHBondContact O-N 2.92Å; T278-E281 PolarHBondContact O-N 3.4Å; T278-E282 PolarHBondContact O-N 2.99Å; T278-E282 VanDerWaalsContact O-N 3.1Å |
| 279 | M | 48.7 | Very low | 48.8 | Very low | 134 Ų | 134 | 130.1 Ų | 130.1 | 66% | 0.66 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.1 | -24.9 | 178.1 | -70.6 | -171.3 | 98.7 | 0 | 0 | 113.2 | C275 W276 R283 | C275-M279 PolarHBondContact O-N 3.46Å; W276-M279 PolarHBondContact O-N 2.91Å; M279-R283 WeakPolarHBondContact O-CB 3.45Å; M279-R283 PolarHBondContact O-N 3.47Å |
| 280 | D | 49.5 | Very low | 48.8 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 47% | 0.471 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -72.9 | -39.6 | 169.3 | -107.3 | -54.3 | 0 | 0 | 0 | 111.1 | W276 E282 R283 E284 | W276-D280 PolarHBondContact O-N 2.81Å; D280-E282 PolarHBondContact O-N 3Å; D280-R283 PolarHBondContact O-N 3.26Å; D280-E284 PolarHBondContact O-N 3.2Å; D280-E284 VanDerWaalsContact O-N 3.08Å |
| 281 | E | 47.4 | Very low | 49 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 49% | 0.491 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -72.2 | -25.8 | 179.3 | -153.7 | -171 | 134.8 | 0 | 0 | 113.7 | S277 T278 K285 | S277-E281 PolarHBondContact O-N 3.4Å; T278-E281 PolarHBondContact O-N 3.4Å; E281-K285 IonicContact OE1-NZ 2.69Å; E281-K285 PolarHBondContact OE1-NZ 3.27Å |
| 282 | E | 49.5 | Very low | 49.1 | Very low | 143 Ų | 143 | 139 Ų | 139 | 67% | 0.668 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78.9 | -28.1 | 170.9 | -74.8 | -170.3 | 160.9 | 0 | 0 | 112.7 | T278 D280 K285 E286 | T278-E282 PolarHBondContact O-N 2.99Å; T278-E282 VanDerWaalsContact O-N 3.1Å; D280-E282 PolarHBondContact O-N 3Å; E282-K285 PolarHBondContact O-N 3.36Å; E282-E286 PolarHBondContact O-N 3.41Å |
| 283 | R | 51.1 | Low | 49.5 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 60% | 0.596 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.1 | -38.2 | 176.4 | -175.4 | -174.8 | -66.5 | -113.3 | -9.5 | 112.3 | M279 D280 K285 E286 E287 | M279-R283 WeakPolarHBondContact O-CB 3.45Å; M279-R283 PolarHBondContact O-N 3.47Å; D280-R283 PolarHBondContact O-N 3.26Å; R283-K285 PolarHBondContact O-N 2.98Å; R283-E286 PolarHBondContact O-N 3.24Å; R283-E287 PolarHBondContact O-N 2.83Å |
| 284 | E | 52.9 | Low | 49.5 | Very low | 139 Ų | 139 | 136 Ų | 136 | 65% | 0.65 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.9 | -25.7 | 174.4 | -77.4 | -172.7 | 153.4 | 0 | 0 | 112.5 | D280 | D280-E284 PolarHBondContact O-N 3.2Å; D280-E284 VanDerWaalsContact O-N 3.08Å |
| 285 | K | 52 | Low | 49.6 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 59% | 0.587 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -80.5 | -17.7 | 176.7 | -75.1 | 172.9 | -172 | 147.9 | 0 | 114.4 | E281 E282 R283 | E281-K285 IonicContact OE1-NZ 2.69Å; E281-K285 PolarHBondContact OE1-NZ 3.27Å; E282-K285 PolarHBondContact O-N 3.36Å; R283-K285 PolarHBondContact O-N 2.98Å |
| 286 | E | 52.8 | Low | 49.8 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -88.8 | -19.1 | 173.5 | -82.3 | -167.1 | 149.2 | 0 | 0 | 113.4 | E282 R283 | E282-E286 PolarHBondContact O-N 3.41Å; R283-E286 PolarHBondContact O-N 3.24Å |
| 287 | E | 53.6 | Low | 49.9 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 78% | 0.776 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -87.9 | -9.2 | 176.7 | -75.9 | -171.3 | 156.8 | 0 | 0 | 114.2 | R283 | R283-E287 PolarHBondContact O-N 2.83Š|
| 288 | E | 51.9 | Low | 50.3 | Low | 183 Ų | 183 | 145.5 Ų | 145.5 | 86% | 0.855 | 68% | 0.675 | S | S | * | * | trans | -100.6 | 23.5 | 179.1 | -149.2 | -176.1 | 170.1 | 0 | 0 | 114.1 | ||||
| 289 | K | 43 | Very low | 50.2 | Low | 251 Ų | 251 | 151.6 Ų | 151.6 | 100% | 1.091 | 69% | 0.693 | S | S | * | * | trans | -132.5 | 0 | 177.5 | -161.4 | -177.5 | -177.1 | -172.1 | 0 | 112.6 |
Retrieved 289 of 289 residues in 498.6 ms
(Link to these results)