| 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 | 40.4 | Very low | 56.6 | Low | 237 Ų | 237 | 132.1 Ų | 132.1 | 100% | 1.167 | 72% | 0.724 | S | S | * | * | 0 | 111.1 | 0 | -67.4 | 168.6 | 72.2 | 0 | 0 | 105.7 | D3 | M1-D3 PolarHBondContact O-N 3.39Š| |||
| 2 | S | 39.2 | Very low | 57.2 | Low | 94 Ų | 94 | 122.6 Ų | 122.6 | 66% | 0.657 | 67% | 0.674 | S | S | * | * | trans | -66.4 | 120.1 | -176.5 | -70.4 | 0 | 0 | 0 | 0 | 109.5 | H4 | S2-H4 PolarHBondContact O-CD2 3.31Å; S2-H4 VanDerWaalsContact O-CD2 3.32Å; S2-H4 PolarHBondContact O-N 2.93Å | ||
| 3 | D | 44.4 | Very low | 57.8 | Low | 160 Ų | 160 | 119.2 Ų | 119.2 | 86% | 0.856 | 66% | 0.661 | S | S | * | * | trans | -65.3 | 82.2 | 164.7 | -70.3 | -47.9 | 0 | 0 | 0 | 107.8 | M1 K5 | M1-D3 PolarHBondContact O-N 3.39Å; D3-K5 PolarHBondContact O-N 3.38Å | ||
| 4 | H | 46.4 | Very low | 58.2 | Low | 164 Ų | 164 | 110.7 Ų | 110.7 | 76% | 0.759 | 61% | 0.614 | S | S | * | * | trans | -68.6 | 75 | 168.9 | -64.9 | -66.9 | 0 | 0 | 0 | 107.6 | S2 P6 | S2-H4 PolarHBondContact O-CD2 3.31Å; S2-H4 VanDerWaalsContact O-CD2 3.32Å; S2-H4 PolarHBondContact O-N 2.93Å; H4-P6 WeakPolarHBondContact O-CD 3.48Å; H4-P6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | K | 57.5 | Low | 59.3 | Low | 154 Ų | 154 | 119.5 Ų | 119.5 | 67% | 0.67 | 63% | 0.634 | S | S | * | * | trans | -64.1 | 111.3 | 169 | -146.5 | 175 | -174.7 | -172.3 | 0 | 104.9 | D3 L7 | D3-K5 PolarHBondContact O-N 3.38Å; K5-L7 PolarHBondContact O-N 2.9Å | ||
| 6 | P | 57.3 | Low | 60.3 | Low | 101 Ų | 101 | 116.4 Ų | 116.4 | 66% | 0.656 | 64% | 0.64 | S | S | * | * | trans | -57.8 | 132 | 178.3 | 22.7 | -30.3 | 0 | 0 | 0 | 107.6 | H4 L8 | H4-P6 WeakPolarHBondContact O-CD 3.48Å; H4-P6 VanDerWaalsContact O-N 3.12Å; P6-L8 PolarHBondContact O-N 2.87Å; P6-L8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | L | 62.1 | Low | 61.8 | Low | 156 Ų | 156 | 119.2 Ų | 119.2 | 82% | 0.817 | 64% | 0.64 | S | S | * | * | trans | -50.8 | 125.2 | 172.2 | -65.2 | 169.9 | 0 | 0 | 0 | 107 | K5 T9 | K5-L7 PolarHBondContact O-N 2.9Å; L7-T9 PolarHBondContact O-N 2.86Å | ||
| 8 | L | 67.1 | Low | 63.1 | Low | 82 Ų | 82 | 122.9 Ų | 122.9 | 43% | 0.429 | 64% | 0.644 | S | S | . | * | trans | -62.8 | 90.5 | 173.7 | -87.2 | 143.1 | 0 | 0 | 0 | 107.6 | P6 A27 H28 C31 | P6-L8 PolarHBondContact O-N 2.87Å; P6-L8 VanDerWaalsContact O-N 3.16Å; L8-A27 HydrophobicContact CD2-CB 4.14Å; L8-H28 HydrophobicContact CD2-CB 4.3Å; L8-H28 WeakPolarHBondContact CD2-ND1 3.31Å; L8-C31 HydrophobicContact CD1-CB 3.66Å; L8-C31 HydrophobicContact CD2-CB 4.22Å | ||
| 9 | T | 71.8 | Confident | 64.4 | Low | 63 Ų | 63 | 125.9 Ų | 125.9 | 39% | 0.387 | 65% | 0.646 | S | S | . | * | trans | -72.9 | 148.4 | 175 | 54.5 | 0 | 0 | 0 | 0 | 108.6 | L7 I11 H24 H28 | L7-T9 PolarHBondContact O-N 2.86Å; T9-I11 WeakPolarHBondContact CB-O 3.45Å; T9-I11 PolarHBondContact O-N 3.41Å; T9-I11 PolarHBondContact OG1-O 3.2Å; T9-H24 PolarHBondContact O-CE1 3.01Å; T9-H24 PolarHBondContact O-NE2 3.34Å; T9-H24 PolarHBondContact OG1-CE1 2.9Å; T9-H28 PolarHBondContact O-CE1 2.93Å; T9-H28 PolarHBondContact O-NE2 2.85Å | ||
| 10 | A | 64.8 | Low | 65.5 | Low | 102 Ų | 102 | 126.7 Ų | 126.7 | 84% | 0.843 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -71.1 | -22.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 11 | I | 71.1 | Confident | 66.6 | Low | 140 Ų | 140 | 124.1 Ų | 124.1 | 72% | 0.718 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -119.1 | 137.2 | -178.8 | -57 | 173.3 | 0 | 0 | 0 | 108.4 | T9 | T9-I11 WeakPolarHBondContact CB-O 3.45Å; T9-I11 PolarHBondContact O-N 3.41Å; T9-I11 PolarHBondContact OG1-O 3.2Å |
| 12 | S | 64.4 | Low | 69 | Low | 18 Ų | 18 | 117.3 Ų | 117.3 | 13% | 0.126 | 59% | 0.594 | C | S | . | * | trans | -62 | 130.4 | 175.1 | 170 | 0 | 0 | 0 | 0 | 112.1 | G14 Q21 | S12-G14 PolarHBondContact O-N 3.38Å; S12-G14 PolarHBondContact OG-N 3.17Å; S12-G14 VanDerWaalsContact OG-N 3.16Å; S12-Q21 VanDerWaalsContact CB-NE2 3.31Å; S12-Q21 PolarHBondContact OG-NE2 3.24Å; S12-Q21 PolarHBondContact OG-OE1 3.41Å | ||
| 13 | P | 64.7 | Low | 71.4 | Confident | 79 Ų | 79 | 117.5 Ų | 117.5 | 51% | 0.513 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.8 | 1.3 | 177.1 | 31.7 | -35.4 | 0 | 0 | 0 | 112.6 | R15 | P13-R15 PolarHBondContact O-N 3.18Š|
| 14 | G | 63.7 | Low | 73.5 | Confident | 0 Ų | 0 | 111.2 Ų | 111.2 | 0% | 0 | 55% | 0.553 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -70.7 | -16.5 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | S12 G16 Y17 | S12-G14 PolarHBondContact O-N 3.38Å; S12-G14 PolarHBondContact OG-N 3.17Å; S12-G14 VanDerWaalsContact OG-N 3.16Å; G14-G16 PolarHBondContact O-N 3.37Å; G14-Y17 VanDerWaalsContact O-CB 3.29Å; G14-Y17 WeakPolarHBondContact O-CB 3.48Å; G14-Y17 WeakPolarHBondContact O-CD2 3.38Å; G14-Y17 PolarHBondContact O-N 3Å |
| 15 | R | 74.5 | Confident | 75.6 | Confident | 242 Ų | 242 | 106.1 Ų | 106.1 | 91% | 0.913 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.2 | 34.8 | -176.3 | -59.7 | -172.7 | 179.9 | -166.2 | -0 | 114 | P13 | P13-R15 PolarHBondContact O-N 3.18Š|
| 16 | G | 75.4 | Confident | 77.3 | Confident | 71 Ų | 71 | 100.6 Ų | 100.6 | 73% | 0.732 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.5 | -8.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | G14 W18 | G14-G16 PolarHBondContact O-N 3.37Å; G16-W18 PolarHBondContact O-N 3.24Å |
| 17 | Y | 85.8 | Confident | 78.9 | Confident | 163 Ų | 163 | 97 Ų | 97 | 64% | 0.639 | 49% | 0.49 | S | S | * | . | trans | -74.3 | 107.4 | 174.5 | -68.1 | -70 | 0 | 0 | 0 | 111.9 | G14 R19 R20 Q21 | G14-Y17 VanDerWaalsContact O-CB 3.29Å; G14-Y17 WeakPolarHBondContact O-CB 3.48Å; G14-Y17 WeakPolarHBondContact O-CD2 3.38Å; G14-Y17 PolarHBondContact O-N 3Å; Y17-R19 VanDerWaalsContact C-N 3.28Å; Y17-R19 PolarHBondContact O-N 3.34Å; Y17-R20 PolarHBondContact O-N 3.3Å; Y17-R20 VanDerWaalsContact O-N 3.16Å; Y17-Q21 PolarHBondContact O-N 3.46Å | ||
| 18 | W | 85.3 | Confident | 80.3 | Confident | 186 Ų | 186 | 93 Ų | 93 | 71% | 0.705 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -56.5 | -35.6 | -177 | 71.4 | -94.5 | 0 | 0 | 0 | 114.1 | G16 Q21 L22 | G16-W18 PolarHBondContact O-N 3.24Å; W18-Q21 WeakPolarHBondContact O-CB 3.44Å; W18-Q21 PolarHBondContact O-N 3.43Å; W18-L22 HydrophobicContact CE3-CD1 3.63Å; W18-L22 HydrophobicContact CE3-CG 4.35Å; W18-L22 HydrophobicContact CZ3-CD1 3.55Å; W18-L22 PolarHBondContact O-N 2.99Å |
| 19 | R | 87.1 | Confident | 81.6 | Confident | 180 Ų | 180 | 93.5 Ų | 93.5 | 68% | 0.679 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.6 | -44.9 | 179.1 | -176.1 | 168.6 | 61.4 | -174.7 | -1.4 | 111.7 | Y17 Q21 L22 D23 | Y17-R19 VanDerWaalsContact C-N 3.28Å; Y17-R19 PolarHBondContact O-N 3.34Å; R19-Q21 PolarHBondContact O-N 3.24Å; R19-L22 PolarHBondContact O-N 3.47Å; R19-D23 PolarHBondContact O-N 2.81Å |
| 20 | R | 88.1 | Confident | 82.6 | Confident | 141 Ų | 141 | 98 Ų | 98 | 53% | 0.532 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.1 | -30.7 | 176 | -67 | -179.5 | -178.5 | -118.5 | 3.3 | 111.7 | Y17 H24 | Y17-R20 PolarHBondContact O-N 3.3Å; Y17-R20 VanDerWaalsContact O-N 3.16Å; R20-H24 WeakPolarHBondContact O-CB 3.4Å; R20-H24 PolarHBondContact O-N 2.72Å |
| 21 | Q | 86.9 | Confident | 83.9 | Confident | 73 Ų | 73 | 94.9 Ų | 94.9 | 34% | 0.341 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 173.7 | -70.6 | -72.3 | 16 | 0 | 0 | 112.5 | S12 Y17 W18 R19 H24 I25 | S12-Q21 VanDerWaalsContact CB-NE2 3.31Å; S12-Q21 PolarHBondContact OG-NE2 3.24Å; S12-Q21 PolarHBondContact OG-OE1 3.41Å; Y17-Q21 PolarHBondContact O-N 3.46Å; W18-Q21 WeakPolarHBondContact O-CB 3.44Å; W18-Q21 PolarHBondContact O-N 3.43Å; R19-Q21 PolarHBondContact O-N 3.24Å; Q21-H24 WeakPolarHBondContact O-CB 3.34Å; Q21-H24 PolarHBondContact O-N 3.17Å; Q21-I25 WeakPolarHBondContact O-CG1 3.42Å; Q21-I25 PolarHBondContact O-N 2.98Å |
| 22 | L | 90.6 | Very high | 85 | Confident | 95 Ų | 95 | 94.3 Ų | 94.3 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 175.8 | -72.1 | 179 | 0 | 0 | 0 | 112.3 | W18 R19 H24 I25 S26 | W18-L22 HydrophobicContact CE3-CD1 3.63Å; W18-L22 HydrophobicContact CE3-CG 4.35Å; W18-L22 HydrophobicContact CZ3-CD1 3.55Å; W18-L22 PolarHBondContact O-N 2.99Å; R19-L22 PolarHBondContact O-N 3.47Å; L22-H24 VanDerWaalsContact C-N 3.26Å; L22-H24 PolarHBondContact O-N 3.17Å; L22-I25 HydrophobicContact CD2-CD1 4.36Å; L22-I25 PolarHBondContact O-N 2.85Å; L22-S26 WeakPolarHBondContact O-CB 3.39Å; L22-S26 PolarHBondContact O-N 3.41Å |
| 23 | D | 89.9 | Confident | 86.4 | Confident | 98 Ų | 98 | 94 Ų | 94 | 52% | 0.524 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 174.7 | -66 | -28.6 | 0 | 0 | 0 | 111.1 | R19 S26 A27 | R19-D23 PolarHBondContact O-N 2.81Å; D23-S26 PolarHBondContact O-N 2.93Å; D23-A27 WeakPolarHBondContact O-CB 3.49Å; D23-A27 PolarHBondContact O-N 3.35Å |
| 24 | H | 89.9 | Confident | 87.7 | Confident | 27 Ų | 27 | 95.8 Ų | 95.8 | 13% | 0.125 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.1 | -49.9 | 176.3 | -169.1 | 71.1 | 0 | 0 | 0 | 112.5 | T9 R20 Q21 L22 S26 A27 H28 | T9-H24 PolarHBondContact O-CE1 3.01Å; T9-H24 PolarHBondContact O-NE2 3.34Å; T9-H24 PolarHBondContact OG1-CE1 2.9Å; R20-H24 WeakPolarHBondContact O-CB 3.4Å; R20-H24 PolarHBondContact O-N 2.72Å; Q21-H24 WeakPolarHBondContact O-CB 3.34Å; Q21-H24 PolarHBondContact O-N 3.17Å; L22-H24 VanDerWaalsContact C-N 3.26Å; L22-H24 PolarHBondContact O-N 3.17Å; H24-S26 VanDerWaalsContact C-N 3.28Å; H24-S26 PolarHBondContact O-N 3.16Å; H24-A27 WeakPolarHBondContact O-CB 3.37Å; H24-A27 PolarHBondContact O-N 3.44Å; H24-H28 AromaticContact CD2-CD2 3.68Å; H24-H28 AromaticContact CD2-NE2 3.87Å; H24-H28 AromaticContact CE1-CD2 3.73Å; H24-H28 AromaticContact CE1-NE2 3.29Å; H24-H28 PolarHBondContact CE1-NE2 2.9Å; H24-H28 VanDerWaalsContact CE1-NE2 3.29Å; H24-H28 AromaticContact NE2-CD2 3.48Å; H24-H28 PolarHBondContact NE2-CD2 3.05Å; H24-H28 AromaticContact NE2-NE2 3.16Å; H24-H28 PolarHBondContact NE2-NE2 3.34Å; H24-H28 VanDerWaalsContact NE2-NE2 3.16Å; H24-H28 PolarHBondContact O-CD2 2.79Å; H24-H28 VanDerWaalsContact O-CD2 3.3Å; H24-H28 PolarHBondContact O-N 3.5Å |
| 25 | I | 90.7 | Very high | 89.2 | Confident | 57 Ų | 57 | 101.3 Ų | 101.3 | 29% | 0.292 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.8 | -45.4 | 175.5 | -67.9 | 160.3 | 0 | 0 | 0 | 110.1 | Q21 L22 A27 H28 L29 I65 | Q21-I25 WeakPolarHBondContact O-CG1 3.42Å; Q21-I25 PolarHBondContact O-N 2.98Å; L22-I25 HydrophobicContact CD2-CD1 4.36Å; L22-I25 PolarHBondContact O-N 2.85Å; I25-A27 PolarHBondContact O-N 3.42Å; I25-H28 PolarHBondContact O-N 3.21Å; I25-L29 HydrophobicContact CG2-CD1 3.88Å; I25-L29 HydrophobicContact CG2-CG 4.35Å; I25-L29 WeakPolarHBondContact O-CB 3.23Å; I25-L29 WeakPolarHBondContact O-CG 3.45Å; I25-L29 PolarHBondContact O-N 3.4Å; I25-I65 HydrophobicContact CD1-CD1 3.54Å; I25-I65 HydrophobicContact CG1-CD1 4.27Å |
| 26 | S | 91.9 | Very high | 90.2 | Very high | 38 Ų | 38 | 92.4 Ų | 92.4 | 27% | 0.266 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 178.5 | -171.9 | 0 | 0 | 0 | 0 | 112.4 | L22 D23 H24 L29 R30 | L22-S26 WeakPolarHBondContact O-CB 3.39Å; L22-S26 PolarHBondContact O-N 3.41Å; D23-S26 PolarHBondContact O-N 2.93Å; H24-S26 VanDerWaalsContact C-N 3.28Å; H24-S26 PolarHBondContact O-N 3.16Å; S26-L29 PolarHBondContact O-N 3.49Å; S26-R30 VanDerWaalsContact O-CG 3.3Å; S26-R30 WeakPolarHBondContact O-CG 3.47Å; S26-R30 PolarHBondContact O-N 3.06Å; S26-R30 PolarHBondContact OG-NH1 3.01Å; S26-R30 VanDerWaalsContact OG-NH1 3.11Å; S26-R30 PolarHBondContact OG-NH2 2.96Å |
| 27 | A | 91.7 | Very high | 91.1 | Very high | 26 Ų | 26 | 92.5 Ų | 92.5 | 22% | 0.215 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.3 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L8 D23 H24 I25 R30 C31 | L8-A27 HydrophobicContact CD2-CB 4.14Å; D23-A27 WeakPolarHBondContact O-CB 3.49Å; D23-A27 PolarHBondContact O-N 3.35Å; H24-A27 WeakPolarHBondContact O-CB 3.37Å; H24-A27 PolarHBondContact O-N 3.44Å; I25-A27 PolarHBondContact O-N 3.42Å; A27-R30 PolarHBondContact O-N 2.87Å; A27-C31 PolarHBondContact O-N 3.33Å |
| 28 | H | 91.9 | Very high | 91.5 | Very high | 73 Ų | 73 | 92 Ų | 92 | 34% | 0.338 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 177.1 | -81 | -74.3 | 0 | 0 | 0 | 112.2 | L8 T9 H24 I25 R30 C31 Y32 | L8-H28 HydrophobicContact CD2-CB 4.3Å; L8-H28 WeakPolarHBondContact CD2-ND1 3.31Å; T9-H28 PolarHBondContact O-CE1 2.93Å; T9-H28 PolarHBondContact O-NE2 2.85Å; H24-H28 AromaticContact CD2-CD2 3.68Å; H24-H28 AromaticContact CD2-NE2 3.87Å; H24-H28 AromaticContact CE1-CD2 3.73Å; H24-H28 AromaticContact CE1-NE2 3.29Å; H24-H28 PolarHBondContact CE1-NE2 2.9Å; H24-H28 VanDerWaalsContact CE1-NE2 3.29Å; H24-H28 AromaticContact NE2-CD2 3.48Å; H24-H28 PolarHBondContact NE2-CD2 3.05Å; H24-H28 AromaticContact NE2-NE2 3.16Å; H24-H28 PolarHBondContact NE2-NE2 3.34Å; H24-H28 VanDerWaalsContact NE2-NE2 3.16Å; H24-H28 PolarHBondContact O-CD2 2.79Å; H24-H28 VanDerWaalsContact O-CD2 3.3Å; H24-H28 PolarHBondContact O-N 3.5Å; I25-H28 PolarHBondContact O-N 3.21Å; H28-R30 VanDerWaalsContact C-N 3.33Å; H28-R30 PolarHBondContact O-N 3.28Å; H28-C31 WeakPolarHBondContact O-CB 3.25Å; H28-C31 PolarHBondContact O-N 3.36Å; H28-Y32 WeakPolarHBondContact O-CB 3.44Å; H28-Y32 PolarHBondContact O-N 3.32Å |
| 29 | L | 93.2 | Very high | 91.9 | Very high | 91 Ų | 91 | 86 Ų | 86 | 48% | 0.476 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.7 | -42 | 175.3 | -75.3 | 172.9 | 0 | 0 | 0 | 112.2 | I25 S26 Y32 A33 F39 | I25-L29 HydrophobicContact CG2-CD1 3.88Å; I25-L29 HydrophobicContact CG2-CG 4.35Å; I25-L29 WeakPolarHBondContact O-CB 3.23Å; I25-L29 WeakPolarHBondContact O-CG 3.45Å; I25-L29 PolarHBondContact O-N 3.4Å; S26-L29 PolarHBondContact O-N 3.49Å; L29-Y32 PolarHBondContact O-N 3.46Å; L29-A33 WeakPolarHBondContact O-CB 3.33Å; L29-A33 PolarHBondContact O-N 3.24Å; L29-F39 HydrophobicContact CD2-CZ 4.49Å |
| 30 | R | 93.1 | Very high | 92.3 | Very high | 158 Ų | 158 | 83.7 Ų | 83.7 | 60% | 0.596 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.4 | -45.8 | 175.2 | -73.6 | -179.2 | -166.7 | 113.4 | -2.1 | 111.6 | S26 A27 H28 A33 Q34 | S26-R30 VanDerWaalsContact O-CG 3.3Å; S26-R30 WeakPolarHBondContact O-CG 3.47Å; S26-R30 PolarHBondContact O-N 3.06Å; S26-R30 PolarHBondContact OG-NH1 3.01Å; S26-R30 VanDerWaalsContact OG-NH1 3.11Å; S26-R30 PolarHBondContact OG-NH2 2.96Å; A27-R30 PolarHBondContact O-N 2.87Å; H28-R30 VanDerWaalsContact C-N 3.33Å; H28-R30 PolarHBondContact O-N 3.28Å; R30-A33 PolarHBondContact O-N 3.39Å; R30-Q34 VanDerWaalsContact O-CG 3.31Å; R30-Q34 WeakPolarHBondContact O-CG 3.24Å; R30-Q34 PolarHBondContact O-N 3.44Å |
| 31 | C | 92.4 | Very high | 92.6 | Very high | 37 Ų | 37 | 80 Ų | 80 | 25% | 0.25 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 177 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | L8 A27 H28 A33 Q34 N35 | L8-C31 HydrophobicContact CD1-CB 3.66Å; L8-C31 HydrophobicContact CD2-CB 4.22Å; A27-C31 PolarHBondContact O-N 3.33Å; H28-C31 WeakPolarHBondContact O-CB 3.25Å; H28-C31 PolarHBondContact O-N 3.36Å; C31-A33 PolarHBondContact O-N 2.86Å; C31-Q34 WeakPolarHBondContact O-CB 3.49Å; C31-Q34 PolarHBondContact O-N 2.93Å; C31-Q34 VanDerWaalsContact O-N 3.17Å; C31-N35 PolarHBondContact O-N 2.92Å; C31-N35 PolarHBondContact O-ND2 3.29Å |
| 32 | Y | 93.8 | Very high | 92.8 | Very high | 127 Ų | 127 | 82.9 Ų | 82.9 | 50% | 0.498 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 178.6 | -170.9 | -96.6 | 0 | 0 | 0 | 111.8 | H28 L29 Q34 N35 N36 F39 | H28-Y32 WeakPolarHBondContact O-CB 3.44Å; H28-Y32 PolarHBondContact O-N 3.32Å; L29-Y32 PolarHBondContact O-N 3.46Å; Y32-Q34 VanDerWaalsContact C-N 3.3Å; Y32-Q34 PolarHBondContact O-N 3.04Å; Y32-N35 PolarHBondContact O-N 3.16Å; Y32-N36 HydrophobicContact CD1-CB 4.44Å; Y32-N36 WeakPolarHBondContact CD2-ND2 3.47Å; Y32-N36 HydrophobicContact CE1-CB 4.15Å; Y32-N36 WeakPolarHBondContact CE2-ND2 3.41Å; Y32-N36 WeakPolarHBondContact O-CB 3.36Å; Y32-N36 PolarHBondContact O-N 3.47Å; Y32-N36 PolarHBondContact O-ND2 3.41Å; Y32-F39 HydrophobicContact CD1-CB 4.43Å; Y32-F39 AromaticContact CD1-CD1 3.52Å; Y32-F39 HydrophobicContact CD1-CD1 3.52Å; Y32-F39 HydrophobicContact CD1-CD2 4.5Å; Y32-F39 AromaticContact CD1-CE1 3.79Å; Y32-F39 HydrophobicContact CD1-CE1 3.79Å; Y32-F39 AromaticContact CD1-CG 3.9Å; Y32-F39 HydrophobicContact CD1-CG 3.9Å; Y32-F39 HydrophobicContact CD1-CZ 4.4Å; Y32-F39 HydrophobicContact CE1-CB 3.94Å; Y32-F39 AromaticContact CE1-CD1 3.82Å; Y32-F39 HydrophobicContact CE1-CD1 3.82Å; Y32-F39 HydrophobicContact CE1-CD2 4.09Å; Y32-F39 HydrophobicContact CE1-CE1 4.33Å; Y32-F39 AromaticContact CE1-CG 3.66Å; Y32-F39 HydrophobicContact CE1-CG 3.66Å |
| 33 | A | 94.3 | Very high | 92.8 | Very high | 12 Ų | 12 | 82 Ų | 82 | 10% | 0.099 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.9 | -27.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L29 R30 C31 N35 F39 R40 I43 | L29-A33 WeakPolarHBondContact O-CB 3.33Å; L29-A33 PolarHBondContact O-N 3.24Å; R30-A33 PolarHBondContact O-N 3.39Å; C31-A33 PolarHBondContact O-N 2.86Å; A33-N35 VanDerWaalsContact C-N 3.33Å; A33-F39 HydrophobicContact CB-CD1 4.1Å; A33-F39 HydrophobicContact CB-CE1 4.22Å; A33-R40 HydrophobicContact CB-CB 4.33Å; A33-I43 HydrophobicContact CB-CD1 4.21Å |
| 34 | Q | 92.4 | Very high | 92.8 | Very high | 116 Ų | 116 | 80.8 Ų | 80.8 | 54% | 0.542 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.7 | -37 | 174 | -77.8 | 177.4 | -17 | 0 | 0 | 111.8 | R30 C31 Y32 | R30-Q34 VanDerWaalsContact O-CG 3.31Å; R30-Q34 WeakPolarHBondContact O-CG 3.24Å; R30-Q34 PolarHBondContact O-N 3.44Å; C31-Q34 WeakPolarHBondContact O-CB 3.49Å; C31-Q34 PolarHBondContact O-N 2.93Å; C31-Q34 VanDerWaalsContact O-N 3.17Å; Y32-Q34 VanDerWaalsContact C-N 3.3Å; Y32-Q34 PolarHBondContact O-N 3.04Å |
| 35 | N | 93.6 | Very high | 92.7 | Very high | 116 Ų | 116 | 83.3 Ų | 83.3 | 62% | 0.62 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -92.6 | -15.8 | -176.2 | -61.1 | -33.1 | 0 | 0 | 0 | 113.7 | C31 Y32 A33 | C31-N35 PolarHBondContact O-N 2.92Å; C31-N35 PolarHBondContact O-ND2 3.29Å; Y32-N35 PolarHBondContact O-N 3.16Å; A33-N35 VanDerWaalsContact C-N 3.33Å |
| 36 | N | 95.8 | Very high | 92.4 | Very high | 56 Ų | 56 | 84.2 Ų | 84.2 | 30% | 0.299 | 44% | 0.439 | S | S | . | . | trans | -122.3 | 92.1 | -175.8 | -63.8 | -83.7 | 0 | 0 | 0 | 111 | Y32 E38 F39 R40 | Y32-N36 HydrophobicContact CD1-CB 4.44Å; Y32-N36 WeakPolarHBondContact CD2-ND2 3.47Å; Y32-N36 HydrophobicContact CE1-CB 4.15Å; Y32-N36 WeakPolarHBondContact CE2-ND2 3.41Å; Y32-N36 WeakPolarHBondContact O-CB 3.36Å; Y32-N36 PolarHBondContact O-N 3.47Å; Y32-N36 PolarHBondContact O-ND2 3.41Å; N36-E38 VanDerWaalsContact C-N 3.34Å; N36-E38 PolarHBondContact O-N 3.07Å; N36-F39 HydrophobicContact CB-CB 3.97Å; N36-F39 PolarHBondContact O-N 3.48Å; N36-R40 PolarHBondContact O-N 3.3Å | ||
| 37 | P | 93.9 | Very high | 92.3 | Very high | 73 Ų | 73 | 88.2 Ų | 88.2 | 47% | 0.474 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.5 | -35.2 | -175.4 | 24.8 | -33.5 | 0 | 0 | 0 | 113.2 | R40 A41 | P37-R40 WeakPolarHBondContact O-CB 3.49Å; P37-R40 PolarHBondContact O-N 2.96Å; P37-A41 PolarHBondContact O-N 3.45Å |
| 38 | E | 94.8 | Very high | 92.2 | Very high | 152 Ų | 152 | 92 Ų | 92 | 71% | 0.71 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.4 | -50.1 | 176 | -64 | -55.2 | 135.3 | 0 | 0 | 111.4 | N36 R40 A41 L42 | N36-E38 VanDerWaalsContact C-N 3.34Å; N36-E38 PolarHBondContact O-N 3.07Å; E38-R40 VanDerWaalsContact C-N 3.33Å; E38-R40 PolarHBondContact O-N 3.18Å; E38-A41 PolarHBondContact O-N 3.37Å; E38-L42 WeakPolarHBondContact O-CG 3.34Å; E38-L42 PolarHBondContact O-N 2.9Å |
| 39 | F | 94.8 | Very high | 92.1 | Very high | 60 Ų | 60 | 90 Ų | 90 | 26% | 0.263 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 176.3 | 174.7 | -102.3 | 0 | 0 | 0 | 111.4 | L29 Y32 A33 N36 A41 L42 I43 | L29-F39 HydrophobicContact CD2-CZ 4.49Å; Y32-F39 HydrophobicContact CD1-CB 4.43Å; Y32-F39 AromaticContact CD1-CD1 3.52Å; Y32-F39 HydrophobicContact CD1-CD1 3.52Å; Y32-F39 HydrophobicContact CD1-CD2 4.5Å; Y32-F39 AromaticContact CD1-CE1 3.79Å; Y32-F39 HydrophobicContact CD1-CE1 3.79Å; Y32-F39 AromaticContact CD1-CG 3.9Å; Y32-F39 HydrophobicContact CD1-CG 3.9Å; Y32-F39 HydrophobicContact CD1-CZ 4.4Å; Y32-F39 HydrophobicContact CE1-CB 3.94Å; Y32-F39 AromaticContact CE1-CD1 3.82Å; Y32-F39 HydrophobicContact CE1-CD1 3.82Å; Y32-F39 HydrophobicContact CE1-CD2 4.09Å; Y32-F39 HydrophobicContact CE1-CE1 4.33Å; Y32-F39 AromaticContact CE1-CG 3.66Å; Y32-F39 HydrophobicContact CE1-CG 3.66Å; A33-F39 HydrophobicContact CB-CD1 4.1Å; A33-F39 HydrophobicContact CB-CE1 4.22Å; N36-F39 HydrophobicContact CB-CB 3.97Å; N36-F39 PolarHBondContact O-N 3.48Å; F39-A41 VanDerWaalsContact C-N 3.29Å; F39-A41 PolarHBondContact O-N 3.2Å; F39-L42 WeakPolarHBondContact O-CB 3.16Å; F39-L42 PolarHBondContact O-N 3.4Å; F39-I43 HydrophobicContact CD1-CD1 4.25Å; F39-I43 HydrophobicContact CD2-CG2 4.5Å; F39-I43 HydrophobicContact CE1-CD1 3.68Å; F39-I43 HydrophobicContact CE1-CG1 4.4Å; F39-I43 HydrophobicContact CE1-CG2 4.25Å; F39-I43 HydrophobicContact CE2-CG2 3.93Å; F39-I43 HydrophobicContact CZ-CD1 4.2Å; F39-I43 HydrophobicContact CZ-CG2 3.8Å; F39-I43 PolarHBondContact O-N 2.77Å |
| 40 | R | 94.9 | Very high | 92.1 | Very high | 132 Ų | 132 | 93.9 Ų | 93.9 | 50% | 0.498 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.8 | -42 | 177.3 | -175.9 | 175.8 | 63.8 | -172.3 | -0.8 | 111.8 | A33 N36 P37 E38 I43 A44 | A33-R40 HydrophobicContact CB-CB 4.33Å; N36-R40 PolarHBondContact O-N 3.3Å; P37-R40 WeakPolarHBondContact O-CB 3.49Å; P37-R40 PolarHBondContact O-N 2.96Å; E38-R40 VanDerWaalsContact C-N 3.33Å; E38-R40 PolarHBondContact O-N 3.18Å; R40-I43 WeakPolarHBondContact O-CG1 3.49Å; R40-I43 PolarHBondContact O-N 3.16Å; R40-A44 VanDerWaalsContact O-CB 3.23Å; R40-A44 WeakPolarHBondContact O-CB 3.3Å; R40-A44 PolarHBondContact O-N 2.92Å |
| 41 | A | 93.3 | Very high | 92.2 | Very high | 63 Ų | 63 | 90.2 Ų | 90.2 | 52% | 0.521 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P37 E38 F39 I43 A44 | P37-A41 PolarHBondContact O-N 3.45Å; E38-A41 PolarHBondContact O-N 3.37Å; F39-A41 VanDerWaalsContact C-N 3.29Å; F39-A41 PolarHBondContact O-N 3.2Å; A41-I43 VanDerWaalsContact C-N 3.32Å; A41-I43 PolarHBondContact O-N 3.23Å; A41-A44 PolarHBondContact O-N 3.11Å |
| 42 | L | 91.1 | Very high | 92.4 | Very high | 134 Ų | 134 | 94.3 Ų | 94.3 | 70% | 0.702 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.6 | -37.7 | 178.7 | -66.5 | 173.6 | 0 | 0 | 0 | 113.2 | E38 F39 | E38-L42 WeakPolarHBondContact O-CG 3.34Å; E38-L42 PolarHBondContact O-N 2.9Å; F39-L42 WeakPolarHBondContact O-CB 3.16Å; F39-L42 PolarHBondContact O-N 3.4Å |
| 43 | I | 91.3 | Very high | 92.6 | Very high | 75 Ų | 75 | 90.8 Ų | 90.8 | 39% | 0.385 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -91.2 | -11.6 | -178.8 | 66.9 | 166.7 | 0 | 0 | 0 | 113.9 | A33 F39 R40 A41 | A33-I43 HydrophobicContact CB-CD1 4.21Å; F39-I43 HydrophobicContact CD1-CD1 4.25Å; F39-I43 HydrophobicContact CD2-CG2 4.5Å; F39-I43 HydrophobicContact CE1-CD1 3.68Å; F39-I43 HydrophobicContact CE1-CG1 4.4Å; F39-I43 HydrophobicContact CE1-CG2 4.25Å; F39-I43 HydrophobicContact CE2-CG2 3.93Å; F39-I43 HydrophobicContact CZ-CD1 4.2Å; F39-I43 HydrophobicContact CZ-CG2 3.8Å; F39-I43 PolarHBondContact O-N 2.77Å; R40-I43 WeakPolarHBondContact O-CG1 3.49Å; R40-I43 PolarHBondContact O-N 3.16Å; A41-I43 VanDerWaalsContact C-N 3.32Å; A41-I43 PolarHBondContact O-N 3.23Å |
| 44 | A | 89.2 | Confident | 92.7 | Very high | 74 Ų | 74 | 93.1 Ų | 93.1 | 61% | 0.612 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -75.6 | -26.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R40 A41 | R40-A44 VanDerWaalsContact O-CB 3.23Å; R40-A44 WeakPolarHBondContact O-CB 3.3Å; R40-A44 PolarHBondContact O-N 2.92Å; A41-A44 PolarHBondContact O-N 3.11Å |
| 45 | E | 87.6 | Confident | 92.8 | Very high | 79 Ų | 79 | 89.8 Ų | 89.8 | 37% | 0.369 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -67.9 | 128.2 | 174.9 | -163.2 | -173.1 | 149.8 | 0 | 0 | 109.5 | R47 | E45-R47 HydrophobicContact CB-CG 4.02Å; E45-R47 HydrophobicContact CG-CG 3.77Å; E45-R47 PolarHBondContact O-N 3.25Å; E45-R47 IonicContact OE1-CZ 3.64Å; E45-R47 IonicContact OE1-NE 2.87Å; E45-R47 PolarHBondContact OE1-NE 2.74Å; E45-R47 IonicContact OE1-NH2 3.57Å; E45-R47 IonicContact OE2-CZ 3.28Å; E45-R47 VanDerWaalsContact OE2-CZ 3.28Å; E45-R47 IonicContact OE2-NE 2.9Å; E45-R47 PolarHBondContact OE2-NE 2.79Å; E45-R47 IonicContact OE2-NH2 3.38Å; E45-R47 PolarHBondContact OE2-NH2 2.99Å |
| 46 | P | 86.1 | Confident | 92.9 | Very high | 76 Ų | 76 | 89 Ų | 89 | 49% | 0.494 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -75.1 | 62.2 | -176.1 | 32.3 | -37.9 | 0 | 0 | 0 | 112.2 | L77 | P46-L77 HydrophobicContact CB-CD2 4.04Å; P46-L77 HydrophobicContact CG-CD1 3.66Å; P46-L77 HydrophobicContact CG-CD2 3.86Å; P46-L77 HydrophobicContact CG-CG 4.45Å |
| 47 | R | 88.4 | Confident | 92.8 | Very high | 123 Ų | 123 | 90.9 Ų | 90.9 | 46% | 0.464 | 49% | 0.492 | S | S | . | . | trans | -89.6 | -21.9 | -178.5 | -67.9 | -179.8 | 148.9 | -167.5 | 3.3 | 113.3 | E45 Q71 V72 | E45-R47 HydrophobicContact CB-CG 4.02Å; E45-R47 HydrophobicContact CG-CG 3.77Å; E45-R47 PolarHBondContact O-N 3.25Å; E45-R47 IonicContact OE1-CZ 3.64Å; E45-R47 IonicContact OE1-NE 2.87Å; E45-R47 PolarHBondContact OE1-NE 2.74Å; E45-R47 IonicContact OE1-NH2 3.57Å; E45-R47 IonicContact OE2-CZ 3.28Å; E45-R47 VanDerWaalsContact OE2-CZ 3.28Å; E45-R47 IonicContact OE2-NE 2.9Å; E45-R47 PolarHBondContact OE2-NE 2.79Å; E45-R47 IonicContact OE2-NH2 3.38Å; E45-R47 PolarHBondContact OE2-NH2 2.99Å; R47-Q71 WeakPolarHBondContact O-CA 3.03Å; R47-V72 PolarHBondContact O-N 3.32Å | ||
| 48 | M | 90.3 | Very high | 92.8 | Very high | 106 Ų | 106 | 94.9 Ų | 94.9 | 52% | 0.522 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 111.6 | -174 | -63.7 | 179 | -75.6 | 0 | 0 | 110.4 | Y69 | M48-Y69 HydrophobicContact CB-CD1 4.22Å; M48-Y69 HydrophobicContact CB-CD2 4.33Å; M48-Y69 HydrophobicContact CB-CG 4Å; M48-Y69 HydrophobicContact CG-CD2 4.11Å; M48-Y69 HydrophobicContact CG-CG 4.25Å; M48-Y69 HydrophobicContact SD-CD2 4.2Å; M48-Y69 HydrophobicContact SD-CE2 4.11Å |
| 49 | G | 90.5 | Very high | 92.5 | Very high | 29 Ų | 29 | 92.7 Ų | 92.7 | 30% | 0.299 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -130.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y69 S70 | G49-Y69 WeakPolarHBondContact O-CD1 3.36Å; G49-S70 WeakPolarHBondContact CA-O 3.34Å; G49-S70 PolarHBondContact N-O 2.87Å |
| 50 | K | 93 | Very high | 92.1 | Very high | 173 Ų | 173 | 93 Ų | 93 | 75% | 0.752 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 137.5 | 176.6 | -172.3 | 176.1 | 178.9 | 178.4 | 0 | 110.5 | I52 Y69 S70 | K50-I52 PolarHBondContact O-N 2.91Å; K50-Y69 CarbonylContact O-C 3.56Å; K50-Y69 WeakPolarHBondContact O-CA 3.35Å; K50-S70 PolarHBondContact N-OG 3.43Å; K50-S70 PolarHBondContact O-N 2.98Å; K50-S70 PolarHBondContact O-OG 2.93Å |
| 51 | L | 95.1 | Very high | 91.7 | Very high | 81 Ų | 81 | 93 Ų | 93 | 42% | 0.424 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 123.3 | 170.8 | -175 | 71.1 | 0 | 0 | 0 | 109.7 | L67 Y69 | L51-L67 HydrophobicContact CD1-CB 3.94Å; L51-L67 HydrophobicContact CD1-CD2 4.31Å; L51-Y69 HydrophobicContact CB-CD1 4.07Å; L51-Y69 HydrophobicContact CB-CE1 3.9Å; L51-Y69 HydrophobicContact CD1-CD1 4.12Å; L51-Y69 HydrophobicContact CD1-CD2 4.4Å; L51-Y69 HydrophobicContact CD1-CE1 3.77Å; L51-Y69 HydrophobicContact CD1-CE2 4.08Å; L51-Y69 HydrophobicContact CD1-CG 4.43Å; L51-Y69 HydrophobicContact CG-CE1 4.44Å |
| 52 | I | 96.6 | Very high | 91.5 | Very high | 124 Ų | 124 | 95.3 Ų | 95.3 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -47 | 179.3 | -62.2 | 173.3 | 0 | 0 | 0 | 110.3 | K50 N68 | K50-I52 PolarHBondContact O-N 2.91Å; I52-N68 PolarHBondContact N-O 3.4Å |
| 53 | S | 96.6 | Very high | 91.4 | Very high | 52 Ų | 52 | 93.2 Ų | 93.2 | 36% | 0.364 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 156.3 | 180 | 64.6 | 0 | 0 | 0 | 0 | 111.4 | N68 | S53-N68 PolarHBondContact N-O 2.86Å; S53-N68 PolarHBondContact O-N 3.06Å; S53-N68 PolarHBondContact OG-ND2 3.06Å |
| 54 | A | 96.3 | Very high | 91.5 | Very high | 61 Ų | 61 | 91.7 Ų | 91.7 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 139.7 | 175 | 0 | 0 | 0 | 0 | 0 | 109 | R66 L67 | A54-R66 CarbonylContact C-O 3.6Å; A54-R66 WeakPolarHBondContact CA-O 3.38Å; A54-L67 HydrophobicContact CB-CD2 3.63Å |
| 55 | T | 96.3 | Very high | 91.8 | Very high | 46 Ų | 46 | 92.1 Ų | 92.1 | 28% | 0.282 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 140.8 | 175.6 | 55.3 | 0 | 0 | 0 | 0 | 109.7 | R66 | T55-R66 PolarHBondContact N-O 2.72Å; T55-R66 PolarHBondContact O-N 3.23Å; T55-R66 PolarHBondContact OG1-NE 3.44Å; T55-R66 PolarHBondContact OG1-NH2 3.35Å |
| 56 | V | 94.1 | Very high | 92.1 | Very high | 99 Ų | 99 | 94.2 Ų | 94.2 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.8 | 174.3 | -176.4 | 0 | 0 | 0 | 0 | 107.5 | V63 S64 I65 | V56-V63 HydrophobicContact CG1-CG1 3.85Å; V56-S64 WeakPolarHBondContact CA-O 3.33Å; V56-I65 HydrophobicContact CG2-CG1 4.42Å |
| 57 | H | 94.8 | Very high | 92.6 | Very high | 97 Ų | 97 | 94.5 Ų | 94.5 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.4 | 174.3 | -66.7 | -81.8 | 0 | 0 | 0 | 108.7 | V63 S64 R66 | H57-V63 CarbonylContact O-C 3.59Å; H57-V63 WeakPolarHBondContact O-CA 3.33Å; H57-S64 PolarHBondContact N-O 2.93Å; H57-S64 PolarHBondContact O-N 2.73Å; H57-R66 PolarHBondContact NE2-NH2 3.32Å |
| 58 | E | 93.3 | Very high | 92.9 | Very high | 156 Ų | 156 | 91.7 Ų | 91.7 | 73% | 0.729 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 127.5 | 178 | -177.9 | 175.1 | 179.1 | 0 | 0 | 107.5 | V63 | E58-V63 HydrophobicContact CG-CG2 4.25Å |
| 59 | D | 88.9 | Confident | 93.1 | Very high | 107 Ų | 107 | 90.9 Ų | 90.9 | 57% | 0.572 | 50% | 0.503 | S | S | * | . | trans | -116.7 | 10.8 | -178.5 | 68.8 | 6 | 0 | 0 | 0 | 113 | C61 E62 | D59-C61 VanDerWaalsContact C-N 3.31Å; D59-C61 PolarHBondContact O-N 2.75Å; D59-C61 PolarHBondContact OD1-N 3.34Å; D59-E62 PolarHBondContact N-O 2.84Å; D59-E62 VanDerWaalsContact OD1-CG 3.25Å; D59-E62 WeakPolarHBondContact OD1-CG 3.39Å; D59-E62 PolarHBondContact OD1-N 3.44Å; D59-E62 VanDerWaalsContact OD2-CG 3.24Å; D59-E62 WeakPolarHBondContact OD2-CG 3.38Å | ||
| 60 | G | 86.1 | Confident | 93.3 | Very high | 67 Ų | 67 | 91.6 Ų | 91.6 | 69% | 0.691 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 86.5 | -9.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 61 | C | 86.4 | Confident | 93.2 | Very high | 132 Ų | 132 | 90.6 Ų | 90.6 | 89% | 0.892 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -122 | -35.7 | 173.8 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | D59 | D59-C61 VanDerWaalsContact C-N 3.31Å; D59-C61 PolarHBondContact O-N 2.75Å; D59-C61 PolarHBondContact OD1-N 3.34Å |
| 62 | E | 89.6 | Confident | 92.8 | Very high | 111 Ų | 111 | 88.6 Ų | 88.6 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | trans | -127.2 | 155.8 | 176.1 | 60.2 | 164.7 | -125.9 | 0 | 0 | 112.7 | D59 S64 | D59-E62 PolarHBondContact N-O 2.84Å; D59-E62 VanDerWaalsContact OD1-CG 3.25Å; D59-E62 WeakPolarHBondContact OD1-CG 3.39Å; D59-E62 PolarHBondContact OD1-N 3.44Å; D59-E62 VanDerWaalsContact OD2-CG 3.24Å; D59-E62 WeakPolarHBondContact OD2-CG 3.38Å; E62-S64 PolarHBondContact OE1-OG 2.92Å | ||
| 63 | V | 89.9 | Confident | 91.8 | Very high | 90 Ų | 90 | 85.3 Ų | 85.3 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 109.4 | 168.2 | 179.1 | 0 | 0 | 0 | 0 | 107.2 | V56 H57 E58 | V56-V63 HydrophobicContact CG1-CG1 3.85Å; H57-V63 CarbonylContact O-C 3.59Å; H57-V63 WeakPolarHBondContact O-CA 3.33Å; E58-V63 HydrophobicContact CG-CG2 4.25Å |
| 64 | S | 93.1 | Very high | 90.3 | Very high | 43 Ų | 43 | 87.5 Ų | 87.5 | 30% | 0.301 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 121.4 | 179.8 | -4.7 | 0 | 0 | 0 | 0 | 110.2 | V56 H57 E62 | V56-S64 WeakPolarHBondContact CA-O 3.33Å; H57-S64 PolarHBondContact N-O 2.93Å; H57-S64 PolarHBondContact O-N 2.73Å; E62-S64 PolarHBondContact OE1-OG 2.92Å |
| 65 | I | 93.9 | Very high | 88.9 | Confident | 83 Ų | 83 | 92.9 Ų | 92.9 | 43% | 0.426 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 120.9 | 175.6 | -55.9 | 175.6 | 0 | 0 | 0 | 108.3 | I25 V56 L67 | I25-I65 HydrophobicContact CD1-CD1 3.54Å; I25-I65 HydrophobicContact CG1-CD1 4.27Å; V56-I65 HydrophobicContact CG2-CG1 4.42Å; I65-L67 HydrophobicContact CG2-CD2 3.85Å; I65-L67 HydrophobicContact CG2-CG 4.08Å |
| 66 | R | 95.6 | Very high | 87.1 | Confident | 123 Ų | 123 | 94.9 Ų | 94.9 | 46% | 0.464 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121.4 | 175 | 179.4 | 174.9 | 58.7 | -118.8 | -9.2 | 110 | A54 T55 H57 | A54-R66 CarbonylContact C-O 3.6Å; A54-R66 WeakPolarHBondContact CA-O 3.38Å; T55-R66 PolarHBondContact N-O 2.72Å; T55-R66 PolarHBondContact O-N 3.23Å; T55-R66 PolarHBondContact OG1-NE 3.44Å; T55-R66 PolarHBondContact OG1-NH2 3.35Å; H57-R66 PolarHBondContact NE2-NH2 3.32Å |
| 67 | L | 95 | Very high | 85.4 | Confident | 81 Ų | 81 | 93.3 Ų | 93.3 | 42% | 0.424 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.4 | 179.9 | -55.4 | 178.5 | 0 | 0 | 0 | 108.8 | L51 A54 I65 Y69 | L51-L67 HydrophobicContact CD1-CB 3.94Å; L51-L67 HydrophobicContact CD1-CD2 4.31Å; A54-L67 HydrophobicContact CB-CD2 3.63Å; I65-L67 HydrophobicContact CG2-CD2 3.85Å; I65-L67 HydrophobicContact CG2-CG 4.08Å; L67-Y69 HydrophobicContact CB-CD2 4.35Å; L67-Y69 HydrophobicContact CB-CE2 3.57Å; L67-Y69 HydrophobicContact CD1-CE2 4.34Å |
| 68 | N | 95.9 | Very high | 83.6 | Confident | 64 Ų | 64 | 97.4 Ų | 97.4 | 34% | 0.342 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.1 | 178.9 | -57.3 | -72 | 0 | 0 | 0 | 109 | I52 S53 | I52-N68 PolarHBondContact N-O 3.4Å; S53-N68 PolarHBondContact N-O 2.86Å; S53-N68 PolarHBondContact O-N 3.06Å; S53-N68 PolarHBondContact OG-ND2 3.06Å |
| 69 | Y | 95.2 | Very high | 81.9 | Confident | 89 Ų | 89 | 95.7 Ų | 95.7 | 35% | 0.349 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 153.5 | 179.1 | -64.2 | -92.5 | 0 | 0 | 0 | 110.8 | M48 G49 K50 L51 L67 Q71 | M48-Y69 HydrophobicContact CB-CD1 4.22Å; M48-Y69 HydrophobicContact CB-CD2 4.33Å; M48-Y69 HydrophobicContact CB-CG 4Å; M48-Y69 HydrophobicContact CG-CD2 4.11Å; M48-Y69 HydrophobicContact CG-CG 4.25Å; M48-Y69 HydrophobicContact SD-CD2 4.2Å; M48-Y69 HydrophobicContact SD-CE2 4.11Å; G49-Y69 WeakPolarHBondContact O-CD1 3.36Å; K50-Y69 CarbonylContact O-C 3.56Å; K50-Y69 WeakPolarHBondContact O-CA 3.35Å; L51-Y69 HydrophobicContact CB-CD1 4.07Å; L51-Y69 HydrophobicContact CB-CE1 3.9Å; L51-Y69 HydrophobicContact CD1-CD1 4.12Å; L51-Y69 HydrophobicContact CD1-CD2 4.4Å; L51-Y69 HydrophobicContact CD1-CE1 3.77Å; L51-Y69 HydrophobicContact CD1-CE2 4.08Å; L51-Y69 HydrophobicContact CD1-CG 4.43Å; L51-Y69 HydrophobicContact CG-CE1 4.44Å; L67-Y69 HydrophobicContact CB-CD2 4.35Å; L67-Y69 HydrophobicContact CB-CE2 3.57Å; L67-Y69 HydrophobicContact CD1-CE2 4.34Å; Y69-Q71 PolarHBondContact O-N 3.19Å |
| 70 | S | 94 | Very high | 80.3 | Confident | 44 Ų | 44 | 97 Ų | 97 | 31% | 0.308 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 125 | 164.1 | 64 | 0 | 0 | 0 | 0 | 108.8 | G49 K50 V72 | G49-S70 WeakPolarHBondContact CA-O 3.34Å; G49-S70 PolarHBondContact N-O 2.87Å; K50-S70 PolarHBondContact N-OG 3.43Å; K50-S70 PolarHBondContact O-N 2.98Å; K50-S70 PolarHBondContact O-OG 2.93Å; S70-V72 PolarHBondContact O-N 3.21Å |
| 71 | Q | 90.3 | Very high | 78.8 | Confident | 153 Ų | 153 | 102.8 Ų | 102.8 | 72% | 0.715 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 124.6 | 177.5 | -171.3 | 176.3 | 17.7 | 0 | 0 | 110.2 | R47 Y69 S73 | R47-Q71 WeakPolarHBondContact O-CA 3.03Å; Y69-Q71 PolarHBondContact O-N 3.19Å; Q71-S73 PolarHBondContact O-N 2.93Å |
| 72 | V | 86.8 | Confident | 77 | Confident | 38 Ų | 38 | 99.3 Ų | 99.3 | 23% | 0.23 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 120.5 | 172.7 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | R47 S70 N76 L77 | R47-V72 PolarHBondContact O-N 3.32Å; S70-V72 PolarHBondContact O-N 3.21Å; V72-N76 HydrophobicContact CG1-CB 4.42Å; V72-L77 HydrophobicContact CG1-CD2 4.09Å; V72-L77 HydrophobicContact CG1-CG 4.2Å |
| 73 | S | 76.3 | Confident | 75.1 | Confident | 56 Ų | 56 | 99.2 Ų | 99.2 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 139 | 167.8 | 63.5 | 0 | 0 | 0 | 0 | 110.2 | Q71 K75 N76 | Q71-S73 PolarHBondContact O-N 2.93Å; S73-K75 PolarHBondContact O-N 3.16Å; S73-N76 PolarHBondContact O-N 3Å; S73-N76 PolarHBondContact OG-ND2 3.24Å |
| 74 | N | 65.2 | Low | 73.1 | Confident | 97 Ų | 97 | 101 Ų | 101 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -47.8 | -27.5 | 177.3 | -98.2 | -59.1 | 0 | 0 | 0 | 114.5 | N76 L77 | N74-N76 PolarHBondContact O-N 3.18Å; N74-N76 VanDerWaalsContact O-N 3.16Å; N74-L77 PolarHBondContact O-N 3.31Å; N74-L77 WeakPolarHBondContact OD1-CD1 3.29Å |
| 75 | K | 65.9 | Low | 70.9 | Confident | 175 Ų | 175 | 109.6 Ų | 109.6 | 76% | 0.761 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -55.4 | -30.3 | 175.4 | -53.8 | -176 | -177.4 | -175.1 | 0 | 113.6 | S73 | S73-K75 PolarHBondContact O-N 3.16Š|
| 76 | N | 59.8 | Low | 69 | Low | 88 Ų | 88 | 110 Ų | 110 | 47% | 0.471 | 56% | 0.555 | S | S | . | * | G | 310 helix | trans | -89.5 | -16.4 | -178.1 | -66.7 | -59.7 | 0 | 0 | 0 | 114 | V72 S73 N74 | V72-N76 HydrophobicContact CG1-CB 4.42Å; S73-N76 PolarHBondContact O-N 3Å; S73-N76 PolarHBondContact OG-ND2 3.24Å; N74-N76 PolarHBondContact O-N 3.18Å; N74-N76 VanDerWaalsContact O-N 3.16Å |
| 77 | L | 58.4 | Low | 66.8 | Low | 65 Ų | 65 | 111.1 Ų | 111.1 | 34% | 0.34 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.7 | -33.1 | 179.5 | -65.3 | 171.3 | 0 | 0 | 0 | 111.7 | P46 V72 N74 | P46-L77 HydrophobicContact CB-CD2 4.04Å; P46-L77 HydrophobicContact CG-CD1 3.66Å; P46-L77 HydrophobicContact CG-CD2 3.86Å; P46-L77 HydrophobicContact CG-CG 4.45Å; V72-L77 HydrophobicContact CG1-CD2 4.09Å; V72-L77 HydrophobicContact CG1-CG 4.2Å; N74-L77 PolarHBondContact O-N 3.31Å; N74-L77 WeakPolarHBondContact OD1-CD1 3.29Å |
| 78 | Y | 56.8 | Low | 64.6 | Low | 184 Ų | 184 | 116 Ų | 116 | 72% | 0.722 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -26.2 | 176.3 | -72.9 | -84.3 | 0 | 0 | 0 | 113.5 | ||
| 79 | L | 56.3 | Low | 62.7 | Low | 119 Ų | 119 | 120.8 Ų | 120.8 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -34.9 | 178.9 | -75.7 | 166.1 | 0 | 0 | 0 | 112.5 | K81 A82 | L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 3.06Å; L79-A82 PolarHBondContact O-N 3.36Å |
| 80 | N | 55.1 | Low | 60.4 | Low | 135 Ų | 135 | 124.5 Ų | 124.5 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -75.8 | -15.1 | -178.6 | -128.6 | -41.1 | 0 | 0 | 0 | 113.5 | A82 | N80-A82 VanDerWaalsContact C-N 3.29Š|
| 81 | K | 55.6 | Low | 57.7 | Low | 189 Ų | 189 | 128.5 Ų | 128.5 | 82% | 0.822 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -76.5 | -17.5 | 172 | -165.7 | -178.9 | 176.6 | -169 | 0 | 112.5 | L79 | L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 3.06Å |
| 82 | A | 47.4 | Very low | 55.2 | Low | 58 Ų | 58 | 126.9 Ų | 126.9 | 48% | 0.479 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -97.4 | 12.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L79 N80 N84 | L79-A82 PolarHBondContact O-N 3.36Å; N80-A82 VanDerWaalsContact C-N 3.29Å; A82-N84 VanDerWaalsContact C-N 3.28Å; A82-N84 PolarHBondContact O-N 3.21Å; A82-N84 PolarHBondContact O-ND2 3.16Å |
| 83 | V | 50.8 | Low | 53.3 | Low | 109 Ų | 109 | 129.9 Ų | 129.9 | 66% | 0.661 | 70% | 0.702 | S | S | * | * | trans | -77.6 | 90.4 | 167.5 | -178.3 | 0 | 0 | 0 | 0 | 107.4 | F85 | V83-F85 PolarHBondContact O-N 3.21Š| ||
| 84 | N | 47.3 | Very low | 51.7 | Low | 128 Ų | 128 | 131.5 Ų | 131.5 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | trans | -55.5 | 124.2 | -177 | -63.3 | -64.3 | 0 | 0 | 0 | 111.8 | A82 S86 | A82-N84 VanDerWaalsContact C-N 3.28Å; A82-N84 PolarHBondContact O-N 3.21Å; A82-N84 PolarHBondContact O-ND2 3.16Å; N84-S86 PolarHBondContact O-N 3.44Å | ||
| 85 | F | 48 | Very low | 50.7 | Low | 223 Ų | 223 | 136.5 Ų | 136.5 | 98% | 0.978 | 74% | 0.739 | S | S | * | * | trans | -73.4 | 54.6 | 162.8 | -74.4 | -86.8 | 0 | 0 | 0 | 110.9 | V83 | V83-F85 PolarHBondContact O-N 3.21Š| ||
| 86 | S | 53.5 | Low | 49.4 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | trans | -108.5 | 9.5 | -176.5 | -168.2 | 0 | 0 | 0 | 0 | 114.8 | N84 | N84-S86 PolarHBondContact O-N 3.44Š| ||
| 87 | D | 48.5 | Very low | 48.5 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -106 | 16.2 | -169.9 | -66.1 | -14.9 | 0 | 0 | 0 | 115.1 | ||
| 88 | H | 49.9 | Very low | 47.9 | Very low | 182 Ų | 182 | 135.9 Ų | 135.9 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -127.9 | 19.6 | -179.3 | -90.8 | -57.9 | 0 | 0 | 0 | 117.4 | ||
| 89 | L | 54.7 | Low | 47 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -118.3 | 31.4 | 176.2 | -66.7 | -174.7 | 0 | 0 | 0 | 115.5 | ||
| 90 | L | 47.6 | Very low | 46.4 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -148.7 | 91.2 | 165.7 | -72.7 | 179.1 | 0 | 0 | 0 | 113.8 | ||||
| 91 | S | 37.2 | Very low | 45.6 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | 177.5 | 107.6 | 131.8 | -94.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 92 | S | 38.4 | Very low | 44.5 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | -178.8 | 112 | 123.2 | -179 | 0 | 0 | 0 | 0 | 109 | |||||
| 93 | A | 47.6 | Very low | 44.4 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -61.3 | 135.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 94 | A | 41 | Very low | 44.2 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | trans | -170.7 | 104.7 | 140.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 95 | E | 45.2 | Very low | 43.8 | Very low | 201 Ų | 201 | 136 Ų | 136 | 94% | 0.939 | 84% | 0.835 | S | S | * | * | trans | 36.4 | 122.4 | 141.5 | -49.9 | -169.6 | 165.1 | 0 | 0 | 119.7 | ||||
| 96 | G | 38.6 | Very low | 43.5 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | 141.4 | 95.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 97 | D | 40.8 | Very low | 42.8 | Very low | 171 Ų | 171 | 137 Ų | 137 | 91% | 0.914 | 83% | 0.833 | S | S | * | * | trans | 56.3 | 128.8 | 138.4 | -159.4 | 31.4 | 0 | 0 | 0 | 121.7 | ||||
| 98 | G | 45.7 | Very low | 42 | Very low | 70 Ų | 70 | 135.5 Ų | 135.5 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | trans | 95.5 | 112 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 99 | G | 37.1 | Very low | 41.6 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | 121.8 | 119.8 | 141.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 100 | L | 43.6 | Very low | 40.6 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -79 | 160.6 | -176.5 | -70.7 | 155.3 | 0 | 0 | 0 | 114.7 | ||||
| 101 | C | 38 | Very low | 40.1 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | 81.8 | 126.8 | 139.3 | -155.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 102 | G | 34.4 | Very low | 40.5 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 176.1 | 48.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 103 | S | 45.3 | Very low | 40.8 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | 25 | 124.1 | 153.7 | -58.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 104 | R | 45.8 | Very low | 40.2 | Very low | 237 Ų | 237 | 136 Ų | 136 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | trans | -20.8 | 133.9 | 149.4 | -81.6 | 153.7 | 62 | 174.7 | -1 | 115.7 | ||||
| 105 | S | 39.2 | Very low | 40 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -127.2 | 110.9 | 139.5 | 54.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 106 | S | 41.7 | Very low | 39.9 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | trans | -84.2 | 122.9 | 170.9 | 55.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 107 | W | 38.8 | Very low | 39.8 | Very low | 247 Ų | 247 | 137.2 Ų | 137.2 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | -108.1 | 101 | 161.9 | -88.6 | 51.6 | 0 | 0 | 0 | 108 | ||||
| 108 | V | 31.4 | Very low | 39.4 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 70% | 0.703 | 80% | 0.802 | S | S | * | * | trans | -82.6 | 131.4 | 163.4 | 168.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 109 | S | 41.1 | Very low | 39.2 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -145.8 | 101.6 | 155.3 | -170.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 110 | D | 34.6 | Very low | 39.4 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | -90.5 | 160.4 | 169 | -75.3 | -39.6 | 0 | 0 | 0 | 110.9 | ||||
| 111 | Y | 37.5 | Very low | 39.2 | Very low | 224 Ų | 224 | 144.3 Ų | 144.3 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | 86.2 | 127.7 | 169.4 | -137.5 | -118.9 | 0 | 0 | 0 | 114.7 | ||||
| 112 | S | 44.9 | Very low | 39.6 | Very low | 87 Ų | 87 | 146.1 Ų | 146.1 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | cis | -151.1 | 151.9 | 26.4 | -44.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 113 | Q | 43.5 | Very low | 39.9 | Very low | 182 Ų | 182 | 151.6 Ų | 151.6 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -69.3 | 132.5 | 164.1 | -167.2 | 163.6 | 17.6 | 0 | 0 | 110.4 | ||||
| 114 | S | 35 | Very low | 39.5 | Very low | 120 Ų | 120 | 157.1 Ų | 157.1 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -151.4 | 123.1 | 157.3 | -82.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 115 | T | 37.3 | Very low | 39.5 | Very low | 124 Ų | 124 | 153.9 Ų | 153.9 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | trans | -67.1 | 148.4 | 175.2 | 44.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 116 | S | 43.8 | Very low | 39.6 | Very low | 117 Ų | 117 | 155.9 Ų | 155.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 168.6 | 130.3 | 122.4 | 41 | 0 | 0 | 0 | 0 | 112 | |||||
| 117 | D | 36.2 | Very low | 39.4 | Very low | 151 Ų | 151 | 158.1 Ų | 158.1 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | trans | -65.2 | 144.5 | 174.2 | -58.1 | -72.8 | 0 | 0 | 0 | 112.7 | ||||
| 118 | T | 32.3 | Very low | 39.5 | Very low | 133 Ų | 133 | 156.9 Ų | 156.9 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | -162.9 | 107 | 130.8 | -0.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 119 | I | 41.8 | Very low | 40 | Very low | 157 Ų | 157 | 161.1 Ų | 161.1 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | trans | -81.6 | 106.3 | 165.1 | -65.4 | 177.8 | 0 | 0 | 0 | 106.8 | ||||
| 120 | E | 40.2 | Very low | 40.1 | Very low | 169 Ų | 169 | 162 Ų | 162 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -106.8 | 112 | 162.9 | -77.3 | -157.2 | 148.1 | 0 | 0 | 111.4 | I122 | E120-I122 PolarHBondContact O-N 2.76Š| ||
| 121 | K | 41.2 | Very low | 40.7 | Very low | 190 Ų | 190 | 165 Ų | 165 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -63.2 | 119.7 | 169.4 | -69.8 | 168.9 | 175.3 | 173.7 | 0 | 109.4 | ||||
| 122 | I | 45.8 | Very low | 40.8 | Very low | 165 Ų | 165 | 160.2 Ų | 160.2 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -112.8 | 125.2 | 161 | -61.4 | -179.8 | 0 | 0 | 0 | 109.9 | E120 | E120-I122 PolarHBondContact O-N 2.76Š| ||
| 123 | K | 39.7 | Very low | 40.5 | Very low | 190 Ų | 190 | 165.7 Ų | 165.7 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | -73.1 | 135.2 | -165.7 | -71.7 | 170.7 | 176.6 | 172.4 | 0 | 112.4 | I125 | K123-I125 PolarHBondContact O-N 3.23Š| ||
| 124 | R | 37.8 | Very low | 40.4 | Very low | 226 Ų | 226 | 165.4 Ų | 165.4 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -35.6 | 121.2 | 154.6 | 179.3 | -174.1 | -106.2 | 165 | -7.2 | 112.5 | ||||
| 125 | I | 46.1 | Very low | 40.7 | Very low | 169 Ų | 169 | 168.1 Ų | 168.1 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -122.7 | 136.2 | 156.6 | -61.9 | 177.8 | 0 | 0 | 0 | 108.9 | K123 | K123-I125 PolarHBondContact O-N 3.23Š| ||
| 126 | K | 42 | Very low | 40.9 | Very low | 156 Ų | 156 | 171.8 Ų | 171.8 | 68% | 0.678 | 83% | 0.83 | S | S | * | * | trans | -90.3 | 147 | -163.4 | -85.4 | 178.2 | 175.9 | 178.1 | 0 | 112.2 | ||||
| 127 | N | 36.5 | Very low | 40.8 | Very low | 137 Ų | 137 | 174.1 Ų | 174.1 | 73% | 0.733 | 83% | 0.825 | S | S | * | * | trans | 71.9 | 111.1 | 142.2 | -52.9 | -8.6 | 0 | 0 | 0 | 119.7 | ||||
| 128 | F | 40.5 | Very low | 41 | Very low | 221 Ų | 221 | 176.4 Ų | 176.4 | 97% | 0.969 | 83% | 0.831 | S | S | * | * | trans | -128.8 | 130.6 | 145.8 | -97.9 | -88.4 | 0 | 0 | 0 | 110.8 | ||||
| 129 | K | 42.8 | Very low | 41.7 | Very low | 206 Ų | 206 | 177.6 Ų | 177.6 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | trans | -69 | 127.9 | -170.5 | -68 | 174.5 | 174.8 | 178 | 0 | 111.3 | ||||
| 130 | T | 42.8 | Very low | 41.7 | Very low | 135 Ų | 135 | 182 Ų | 182 | 83% | 0.828 | 85% | 0.851 | S | S | * | * | trans | -67.8 | 124.7 | 161.4 | 18.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 131 | K | 46.4 | Very low | 41.8 | Very low | 206 Ų | 206 | 182.7 Ų | 182.7 | 90% | 0.896 | 85% | 0.854 | S | S | * | * | trans | -91.5 | 110.3 | 160.8 | -91.3 | -172.7 | 174.5 | -177.8 | 0 | 108.1 | ||||
| 132 | T | 40.4 | Very low | 41.8 | Very low | 123 Ų | 123 | 182.3 Ų | 182.3 | 76% | 0.755 | 86% | 0.855 | S | S | * | * | trans | -59.4 | 129.6 | 171.5 | -48.2 | 0 | 0 | 0 | 0 | 110.1 | Q134 | T132-Q134 PolarHBondContact O-N 2.94Š| ||
| 133 | F | 38.5 | Very low | 41.6 | Very low | 202 Ų | 202 | 183.2 Ų | 183.2 | 89% | 0.886 | 86% | 0.856 | S | S | * | * | trans | -72.2 | 120.7 | 170 | -139.2 | -100.9 | 0 | 0 | 0 | 107.9 | E135 | F133-E135 PolarHBondContact O-N 3.25Š| ||
| 134 | Q | 41.8 | Very low | 41.7 | Very low | 176 Ų | 176 | 182.8 Ų | 182.8 | 82% | 0.822 | 86% | 0.858 | S | S | * | * | trans | -74.7 | 116 | 172.8 | -78 | -99 | -45 | 0 | 0 | 108.4 | T132 K136 | T132-Q134 PolarHBondContact O-N 2.94Å; Q134-K136 PolarHBondContact O-N 3.39Å | ||
| 135 | E | 41.4 | Very low | 42 | Very low | 177 Ų | 177 | 180.1 Ų | 180.1 | 83% | 0.827 | 86% | 0.858 | S | S | * | * | trans | -63.5 | 110.8 | 165.7 | -173.6 | 178.4 | 175.4 | 0 | 0 | 108.3 | F133 K137 | F133-E135 PolarHBondContact O-N 3.25Å; E135-K137 PolarHBondContact O-N 3.28Å; E135-K137 VanDerWaalsContact O-N 3.08Å | ||
| 136 | K | 41.1 | Very low | 41.7 | Very low | 202 Ų | 202 | 180.9 Ų | 180.9 | 88% | 0.878 | 86% | 0.857 | S | S | * | * | trans | -69.9 | 103.1 | 165.5 | -93 | -172.9 | 173.1 | -175.6 | 0 | 107.4 | Q134 E138 | Q134-K136 PolarHBondContact O-N 3.39Å; K136-E138 PolarHBondContact O-N 3.08Å | ||
| 137 | K | 40.9 | Very low | 41.7 | Very low | 166 Ų | 166 | 182.6 Ų | 182.6 | 72% | 0.722 | 87% | 0.87 | S | S | * | * | trans | -59.1 | 114.4 | 154.8 | -96.1 | -176.9 | 171.2 | -179.2 | 0 | 108.2 | E135 Q139 | E135-K137 PolarHBondContact O-N 3.28Å; E135-K137 VanDerWaalsContact O-N 3.08Å; K137-Q139 PolarHBondContact O-N 3.46Å | ||
| 138 | E | 41.5 | Very low | 42.1 | Very low | 199 Ų | 199 | 186.2 Ų | 186.2 | 93% | 0.93 | 88% | 0.881 | S | S | * | * | trans | -67.7 | 119.8 | 152.4 | -76.9 | 176.7 | 158.7 | 0 | 0 | 107.2 | K136 | K136-E138 PolarHBondContact O-N 3.08Š| ||
| 139 | Q | 46.6 | Very low | 42.2 | Very low | 158 Ų | 158 | 183.3 Ų | 183.3 | 74% | 0.738 | 87% | 0.873 | S | S | * | * | trans | -109.1 | 126 | 165.2 | -74.3 | -174.8 | 31.4 | 0 | 0 | 107.6 | K137 | K137-Q139 PolarHBondContact O-N 3.46Š| ||
| 140 | L | 42.2 | Very low | 42.2 | Very low | 249 Ų | 249 | 181.2 Ų | 181.2 | 100% | 1.304 | 87% | 0.871 | S | S | * | * | trans | 43.7 | 0 | 163.7 | -91.4 | 93.4 | 0 | 0 | 0 | 119.2 |
Retrieved 140 of 140 residues in 123.6 ms
(Link to these results)