| 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 | 42.8 | Very low | 59.7 | Low | 225 Ų | 225 | 157.3 Ų | 157.3 | 100% | 1.108 | 77% | 0.77 | S | S | * | * | 0 | 106 | 0 | -72.1 | 176.8 | -141.6 | 0 | 0 | 103.8 | |||||
| 2 | E | 49.3 | Very low | 59.8 | Low | 197 Ų | 197 | 153 Ų | 153 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | -91.5 | 109.2 | 170.1 | -73.3 | 167.6 | -173.7 | 0 | 0 | 103.7 | E4 | E2-E4 PolarHBondContact O-N 3.15Å; E2-E4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | D | 53.8 | Low | 60.2 | Low | 149 Ų | 149 | 144.2 Ų | 144.2 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | trans | -65.3 | 106.9 | -179.7 | -59.1 | -45.6 | 0 | 0 | 0 | 107.5 | E5 | D3-E5 PolarHBondContact O-N 3.5Š| ||
| 4 | E | 61.9 | Low | 60.8 | Low | 180 Ų | 180 | 138 Ų | 138 | 84% | 0.841 | 70% | 0.697 | S | S | * | * | trans | -73.4 | 99.3 | 177.9 | -169.3 | 137.5 | -164.8 | 0 | 0 | 107.9 | E2 V6 | E2-E4 PolarHBondContact O-N 3.15Å; E2-E4 VanDerWaalsContact O-N 3.09Å; E4-V6 PolarHBondContact O-N 3Å | ||
| 5 | E | 59.9 | Low | 61.2 | Low | 191 Ų | 191 | 137.4 Ų | 137.4 | 89% | 0.893 | 70% | 0.697 | S | S | * | * | trans | -62 | 92.4 | 177.1 | -162.6 | 170.8 | -147.1 | 0 | 0 | 108.9 | D3 A7 | D3-E5 PolarHBondContact O-N 3.5Å; E5-A7 PolarHBondContact O-N 3.16Å | ||
| 6 | V | 63.2 | Low | 61.8 | Low | 117 Ų | 117 | 133 Ų | 133 | 71% | 0.709 | 68% | 0.682 | S | S | * | * | trans | -71.7 | 113.8 | 174.3 | 178 | 0 | 0 | 0 | 0 | 107.3 | E4 E8 | E4-V6 PolarHBondContact O-N 3Å; V6-E8 PolarHBondContact O-N 2.86Å; V6-E8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | A | 61.1 | Low | 62.6 | Low | 45 Ų | 45 | 126.2 Ų | 126.2 | 37% | 0.372 | 65% | 0.652 | S | S | . | * | trans | -55.5 | 121.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | E5 S9 E12 A13 | E5-A7 PolarHBondContact O-N 3.16Å; A7-S9 PolarHBondContact O-N 2.64Å; A7-E12 HydrophobicContact CB-CB 4.46Å; A7-E12 HydrophobicContact CB-CG 4.42Å; A7-A13 HydrophobicContact CB-CB 3.87Å | ||
| 8 | E | 58.8 | Low | 63.4 | Low | 189 Ų | 189 | 123.9 Ų | 123.9 | 88% | 0.883 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -79.3 | -7 | -173.7 | -63.5 | 179.5 | 167.7 | 0 | 0 | 112.3 | V6 E12 | V6-E8 PolarHBondContact O-N 2.86Å; V6-E8 VanDerWaalsContact O-N 3.16Å; E8-E12 PolarHBondContact N-OE2 3.2Å |
| 9 | S | 60.9 | Low | 63.8 | Low | 52 Ų | 52 | 122.6 Ų | 122.6 | 36% | 0.364 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -137.8 | 142.3 | 176.5 | 178.9 | 0 | 0 | 0 | 0 | 112 | A7 E11 E12 A13 | A7-S9 PolarHBondContact O-N 2.64Å; S9-E11 PolarHBondContact O-N 3.09Å; S9-E11 WeakPolarHBondContact OG-CB 3.35Å; S9-E11 PolarHBondContact OG-N 2.76Å; S9-E12 PolarHBondContact O-N 3.01Å; S9-E12 VanDerWaalsContact O-N 3.13Å; S9-A13 PolarHBondContact O-N 2.82Å |
| 10 | W | 77.3 | Confident | 64.7 | Low | 245 Ų | 245 | 121.2 Ų | 121.2 | 93% | 0.928 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -57.9 | -25.7 | 170.3 | -77.9 | 95.7 | 0 | 0 | 0 | 112.8 | A14 | W10-A14 PolarHBondContact O-N 3.35Å |
| 11 | E | 67.8 | Low | 65.6 | Low | 140 Ų | 140 | 120.6 Ų | 120.6 | 65% | 0.654 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.8 | -45.1 | 175.6 | -170.5 | 168.9 | -147.6 | 0 | 0 | 110.9 | S9 A13 A14 D15 | S9-E11 PolarHBondContact O-N 3.09Å; S9-E11 WeakPolarHBondContact OG-CB 3.35Å; S9-E11 PolarHBondContact OG-N 2.76Å; E11-A13 PolarHBondContact O-N 3.09Å; E11-A14 WeakPolarHBondContact O-CB 3.48Å; E11-A14 PolarHBondContact O-N 2.93Å; E11-A14 VanDerWaalsContact O-N 3.1Å; E11-D15 PolarHBondContact O-N 3.06Å |
| 12 | E | 60.5 | Low | 67.4 | Low | 106 Ų | 106 | 117.6 Ų | 117.6 | 50% | 0.495 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.5 | -35.4 | 178 | -173.3 | 171.2 | -147.5 | 0 | 0 | 112.5 | A7 E8 S9 A14 D15 S16 | A7-E12 HydrophobicContact CB-CB 4.46Å; A7-E12 HydrophobicContact CB-CG 4.42Å; E8-E12 PolarHBondContact N-OE2 3.2Å; S9-E12 PolarHBondContact O-N 3.01Å; S9-E12 VanDerWaalsContact O-N 3.13Å; E12-A14 PolarHBondContact O-N 3.26Å; E12-D15 PolarHBondContact O-N 3.02Å; E12-S16 WeakPolarHBondContact O-CB 3.24Å; E12-S16 PolarHBondContact O-N 3.03Å |
| 13 | A | 64.8 | Low | 69 | Low | 38 Ų | 38 | 112.4 Ų | 112.4 | 31% | 0.314 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.5 | -29.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | A7 S9 E11 | A7-A13 HydrophobicContact CB-CB 3.87Å; S9-A13 PolarHBondContact O-N 2.82Å; E11-A13 PolarHBondContact O-N 3.09Å |
| 14 | A | 69 | Low | 70.4 | Confident | 58 Ų | 58 | 109.8 Ų | 109.8 | 48% | 0.479 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -82.6 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | W10 E11 E12 | W10-A14 PolarHBondContact O-N 3.35Å; E11-A14 WeakPolarHBondContact O-CB 3.48Å; E11-A14 PolarHBondContact O-N 2.93Å; E11-A14 VanDerWaalsContact O-N 3.1Å; E12-A14 PolarHBondContact O-N 3.26Å |
| 15 | D | 66.6 | Low | 71.3 | Confident | 129 Ų | 129 | 107.1 Ų | 107.1 | 69% | 0.69 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -76.6 | -22.3 | -175.5 | -75.4 | -13.1 | 0 | 0 | 0 | 114.2 | E11 E12 G17 | E11-D15 PolarHBondContact O-N 3.06Å; E12-D15 PolarHBondContact O-N 3.02Å; D15-G17 PolarHBondContact O-N 3.09Å |
| 16 | S | 71 | Confident | 72 | Confident | 67 Ų | 67 | 103.9 Ų | 103.9 | 47% | 0.469 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -17.2 | 176.6 | 175.7 | 0 | 0 | 0 | 0 | 113.7 | E12 E18 R21 | E12-S16 WeakPolarHBondContact O-CB 3.24Å; E12-S16 PolarHBondContact O-N 3.03Å; S16-E18 PolarHBondContact O-N 2.71Å; S16-E18 VanDerWaalsContact O-N 3.11Å; S16-R21 VanDerWaalsContact O-CZ 3.29Å; S16-R21 PolarHBondContact O-NH1 3.22Å; S16-R21 PolarHBondContact O-NH2 3.48Å |
| 17 | G | 75.5 | Confident | 72.5 | Confident | 17 Ų | 17 | 103.5 Ų | 103.5 | 18% | 0.175 | 51% | 0.514 | C | S | . | . | trans | 66.3 | 9.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D15 I19 D20 R21 | D15-G17 PolarHBondContact O-N 3.09Å; G17-I19 VanDerWaalsContact C-N 3.3Å; G17-I19 PolarHBondContact O-N 3.47Å; G17-D20 PolarHBondContact O-N 3.19Å; G17-R21 WeakPolarHBondContact O-CG 3.35Å; G17-R21 PolarHBondContact O-N 2.92Å | ||
| 18 | E | 76.5 | Confident | 73 | Confident | 86 Ų | 86 | 108 Ų | 108 | 40% | 0.402 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.1 | -33.1 | 179.2 | -171.8 | 54.9 | -143.4 | 0 | 0 | 111.6 | S16 R21 R22 | S16-E18 PolarHBondContact O-N 2.71Å; S16-E18 VanDerWaalsContact O-N 3.11Å; E18-R21 PolarHBondContact O-N 3.32Å; E18-R21 IonicContact OE2-CZ 2.66Å; E18-R21 VanDerWaalsContact OE2-CZ 3.26Å; E18-R21 IonicContact OE2-NE 2.9Å; E18-R21 PolarHBondContact OE2-NE 2.86Å; E18-R21 IonicContact OE2-NH2 2.75Å; E18-R21 PolarHBondContact OE2-NH2 3.43Å; E18-R22 VanDerWaalsContact O-CB 3.25Å; E18-R22 WeakPolarHBondContact O-CB 3.43Å; E18-R22 PolarHBondContact O-N 3.06Å |
| 19 | I | 72.1 | Confident | 73.1 | Confident | 98 Ų | 98 | 104 Ų | 104 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 175.3 | -57.6 | 176.5 | 0 | 0 | 0 | 110.2 | G17 R22 L23 | G17-I19 VanDerWaalsContact C-N 3.3Å; G17-I19 PolarHBondContact O-N 3.47Å; I19-R22 PolarHBondContact O-N 2.96Å; I19-L23 HydrophobicContact CG2-CD1 4.08Å; I19-L23 WeakPolarHBondContact O-CB 3.29Å; I19-L23 WeakPolarHBondContact O-CG 3.28Å; I19-L23 PolarHBondContact O-N 3.44Å |
| 20 | D | 82.1 | Confident | 72.9 | Confident | 95 Ų | 95 | 105.3 Ų | 105.3 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -46.8 | 178.4 | -70.4 | -21.2 | 0 | 0 | 0 | 111.3 | G17 R22 L23 E24 | G17-D20 PolarHBondContact O-N 3.19Å; D20-R22 VanDerWaalsContact C-N 3.28Å; D20-R22 PolarHBondContact O-N 3.03Å; D20-L23 CarbonylContact O-C 3.57Å; D20-L23 WeakPolarHBondContact O-CA 3.35Å; D20-L23 WeakPolarHBondContact O-CB 3.46Å; D20-L23 PolarHBondContact O-N 3.38Å; D20-E24 PolarHBondContact O-N 3.47Å |
| 21 | R | 82.3 | Confident | 72 | Confident | 109 Ų | 109 | 100.6 Ų | 100.6 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -56 | -42.1 | 175 | -74.7 | -171.3 | -66.3 | -90.9 | 4.3 | 112.2 | S16 G17 E18 K25 | S16-R21 VanDerWaalsContact O-CZ 3.29Å; S16-R21 PolarHBondContact O-NH1 3.22Å; S16-R21 PolarHBondContact O-NH2 3.48Å; G17-R21 WeakPolarHBondContact O-CG 3.35Å; G17-R21 PolarHBondContact O-N 2.92Å; E18-R21 PolarHBondContact O-N 3.32Å; E18-R21 IonicContact OE2-CZ 2.66Å; E18-R21 VanDerWaalsContact OE2-CZ 3.26Å; E18-R21 IonicContact OE2-NE 2.9Å; E18-R21 PolarHBondContact OE2-NE 2.86Å; E18-R21 IonicContact OE2-NH2 2.75Å; E18-R21 PolarHBondContact OE2-NH2 3.43Å; R21-K25 WeakPolarHBondContact O-CB 3.24Å; R21-K25 VanDerWaalsContact O-CG 3.24Å; R21-K25 WeakPolarHBondContact O-CG 3.44Å; R21-K25 PolarHBondContact O-N 2.91Å; R21-K25 VanDerWaalsContact O-N 3.09Å |
| 22 | R | 81.3 | Confident | 71.6 | Confident | 162 Ų | 162 | 103 Ų | 103 | 61% | 0.611 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.2 | -37.8 | 177.5 | -171.7 | 174 | -172.7 | 179.8 | 2.4 | 111.6 | E18 I19 D20 K26 | E18-R22 VanDerWaalsContact O-CB 3.25Å; E18-R22 WeakPolarHBondContact O-CB 3.43Å; E18-R22 PolarHBondContact O-N 3.06Å; I19-R22 PolarHBondContact O-N 2.96Å; D20-R22 VanDerWaalsContact C-N 3.28Å; D20-R22 PolarHBondContact O-N 3.03Å; R22-K26 WeakPolarHBondContact O-CG 3.24Å; R22-K26 PolarHBondContact O-N 3.2Å; R22-K26 VanDerWaalsContact O-N 3.16Å |
| 23 | L | 82.9 | Confident | 71.2 | Confident | 88 Ų | 88 | 103.1 Ų | 103.1 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -49.6 | 174.1 | -83.3 | 162.9 | 0 | 0 | 0 | 111.8 | I19 D20 K25 K26 L27 | I19-L23 HydrophobicContact CG2-CD1 4.08Å; I19-L23 WeakPolarHBondContact O-CB 3.29Å; I19-L23 WeakPolarHBondContact O-CG 3.28Å; I19-L23 PolarHBondContact O-N 3.44Å; D20-L23 CarbonylContact O-C 3.57Å; D20-L23 WeakPolarHBondContact O-CA 3.35Å; D20-L23 WeakPolarHBondContact O-CB 3.46Å; D20-L23 PolarHBondContact O-N 3.38Å; L23-K25 VanDerWaalsContact C-N 3.34Å; L23-K25 PolarHBondContact O-N 3.26Å; L23-K26 PolarHBondContact O-N 2.88Å; L23-L27 WeakPolarHBondContact O-CG 3.24Å; L23-L27 PolarHBondContact O-N 3.3Å |
| 24 | E | 83.1 | Confident | 70.7 | Confident | 93 Ų | 93 | 105.5 Ų | 105.5 | 44% | 0.435 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 177.1 | -89.7 | 102.3 | -132 | 0 | 0 | 112.5 | D20 L27 K28 | D20-E24 PolarHBondContact O-N 3.47Å; E24-L27 PolarHBondContact O-N 2.79Å; E24-K28 WeakPolarHBondContact O-CB 3.48Å; E24-K28 VanDerWaalsContact O-CG 3.24Å; E24-K28 WeakPolarHBondContact O-CG 3.27Å; E24-K28 PolarHBondContact O-N 3.37Å |
| 25 | K | 79.6 | Confident | 70.1 | Confident | 125 Ų | 125 | 113.6 Ų | 113.6 | 54% | 0.543 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 176.4 | -75.1 | 169.8 | -173.9 | 171.5 | 0 | 110.7 | R21 L23 K28 I29 | R21-K25 WeakPolarHBondContact O-CB 3.24Å; R21-K25 VanDerWaalsContact O-CG 3.24Å; R21-K25 WeakPolarHBondContact O-CG 3.44Å; R21-K25 PolarHBondContact O-N 2.91Å; R21-K25 VanDerWaalsContact O-N 3.09Å; L23-K25 VanDerWaalsContact C-N 3.34Å; L23-K25 PolarHBondContact O-N 3.26Å; K25-K28 PolarHBondContact O-N 3.34Å; K25-I29 VanDerWaalsContact O-CD1 3.27Å; K25-I29 WeakPolarHBondContact O-CD1 3.44Å; K25-I29 VanDerWaalsContact O-CG1 3.24Å; K25-I29 WeakPolarHBondContact O-CG1 3.36Å; K25-I29 PolarHBondContact O-N 3.36Å; K25-I29 VanDerWaalsContact O-N 3.11Å |
| 26 | K | 76 | Confident | 69.6 | Low | 122 Ų | 122 | 116.8 Ų | 116.8 | 53% | 0.53 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.5 | -42.3 | 176.9 | -76.1 | -178.4 | 166.6 | -172.4 | 0 | 112.2 | R22 L23 I29 T30 | R22-K26 WeakPolarHBondContact O-CG 3.24Å; R22-K26 PolarHBondContact O-N 3.2Å; R22-K26 VanDerWaalsContact O-N 3.16Å; L23-K26 PolarHBondContact O-N 2.88Å; K26-I29 PolarHBondContact O-N 3.36Å; K26-T30 VanDerWaalsContact O-CG2 3.24Å; K26-T30 WeakPolarHBondContact O-CG2 3.4Å; K26-T30 PolarHBondContact O-N 2.99Å; K26-T30 PolarHBondContact O-OG1 3Å |
| 27 | L | 74.1 | Confident | 68.6 | Low | 110 Ų | 110 | 116.4 Ų | 116.4 | 58% | 0.576 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.5 | -44.2 | 177.7 | -72 | 172.8 | 0 | 0 | 0 | 112.1 | L23 E24 I29 T30 Q31 | L23-L27 WeakPolarHBondContact O-CG 3.24Å; L23-L27 PolarHBondContact O-N 3.3Å; E24-L27 PolarHBondContact O-N 2.79Å; L27-I29 VanDerWaalsContact C-N 3.3Å; L27-I29 PolarHBondContact O-N 3.25Å; L27-T30 WeakPolarHBondContact CA-OG1 3.45Å; L27-T30 PolarHBondContact O-N 3.16Å; L27-T30 PolarHBondContact O-OG1 2.87Å; L27-Q31 PolarHBondContact O-N 3.09Å |
| 28 | K | 71 | Confident | 67.6 | Low | 140 Ų | 140 | 126 Ų | 126 | 61% | 0.609 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62 | -35.4 | 176.6 | -72.6 | 170.1 | -179.4 | 174.7 | 0 | 112.6 | E24 K25 K32 | E24-K28 WeakPolarHBondContact O-CB 3.48Å; E24-K28 VanDerWaalsContact O-CG 3.24Å; E24-K28 WeakPolarHBondContact O-CG 3.27Å; E24-K28 PolarHBondContact O-N 3.37Å; K25-K28 PolarHBondContact O-N 3.34Å; K28-K32 PolarHBondContact O-N 2.87Å |
| 29 | I | 59.9 | Low | 66.6 | Low | 103 Ų | 103 | 126.2 Ų | 126.2 | 53% | 0.528 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.2 | -47.1 | 175.3 | -69.5 | 159.7 | 0 | 0 | 0 | 110.5 | K25 K26 L27 Q31 K32 E33 | K25-I29 VanDerWaalsContact O-CD1 3.27Å; K25-I29 WeakPolarHBondContact O-CD1 3.44Å; K25-I29 VanDerWaalsContact O-CG1 3.24Å; K25-I29 WeakPolarHBondContact O-CG1 3.36Å; K25-I29 PolarHBondContact O-N 3.36Å; K25-I29 VanDerWaalsContact O-N 3.11Å; K26-I29 PolarHBondContact O-N 3.36Å; L27-I29 VanDerWaalsContact C-N 3.3Å; L27-I29 PolarHBondContact O-N 3.25Å; I29-Q31 VanDerWaalsContact C-N 3.28Å; I29-Q31 PolarHBondContact O-N 3.04Å; I29-K32 PolarHBondContact O-N 2.95Å; I29-E33 WeakPolarHBondContact O-CB 3.46Å; I29-E33 PolarHBondContact O-N 3.03Å |
| 30 | T | 57.7 | Low | 66.3 | Low | 80 Ų | 80 | 126.6 Ų | 126.6 | 49% | 0.491 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.6 | -31.6 | 179.5 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | K26 L27 E33 S34 | K26-T30 VanDerWaalsContact O-CG2 3.24Å; K26-T30 WeakPolarHBondContact O-CG2 3.4Å; K26-T30 PolarHBondContact O-N 2.99Å; K26-T30 PolarHBondContact O-OG1 3Å; L27-T30 WeakPolarHBondContact CA-OG1 3.45Å; L27-T30 PolarHBondContact O-N 3.16Å; L27-T30 PolarHBondContact O-OG1 2.87Å; T30-E33 PolarHBondContact O-N 3.11Å; T30-S34 VanDerWaalsContact O-CB 3.28Å; T30-S34 WeakPolarHBondContact O-CB 3.46Å; T30-S34 PolarHBondContact O-N 3.47Å |
| 31 | Q | 59.2 | Low | 65.4 | Low | 146 Ų | 146 | 127.2 Ų | 127.2 | 68% | 0.682 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.4 | -39.9 | 176.1 | -164 | -176.7 | 18.1 | 0 | 0 | 112.4 | L27 I29 S34 | L27-Q31 PolarHBondContact O-N 3.09Å; I29-Q31 VanDerWaalsContact C-N 3.28Å; I29-Q31 PolarHBondContact O-N 3.04Å; Q31-S34 PolarHBondContact O-OG 3.39Å |
| 32 | K | 57.4 | Low | 64.4 | Low | 192 Ų | 192 | 132.2 Ų | 132.2 | 84% | 0.835 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.3 | -30.6 | 175.5 | -83.5 | -175.5 | 173.2 | 179 | 0 | 112.8 | K28 I29 | K28-K32 PolarHBondContact O-N 2.87Å; I29-K32 PolarHBondContact O-N 2.95Å |
| 33 | E | 53.9 | Low | 63.8 | Low | 107 Ų | 107 | 129.5 Ų | 129.5 | 50% | 0.5 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -86.6 | -22.9 | -178.1 | -167.6 | 168.6 | -172.8 | 0 | 0 | 113.5 | I29 T30 R35 K36 S37 | I29-E33 WeakPolarHBondContact O-CB 3.46Å; I29-E33 PolarHBondContact O-N 3.03Å; T30-E33 PolarHBondContact O-N 3.11Å; E33-R35 PolarHBondContact O-N 3.38Å; E33-K36 PolarHBondContact O-N 3.21Å; E33-S37 VanDerWaalsContact CG-OG 3.29Å; E33-S37 WeakPolarHBondContact CG-OG 3.38Å; E33-S37 PolarHBondContact O-N 3.33Å; E33-S37 PolarHBondContact OE1-OG 3.16Å |
| 34 | S | 53.7 | Low | 63.1 | Low | 89 Ų | 89 | 130.9 Ų | 130.9 | 62% | 0.622 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -11.8 | 178.5 | 67.5 | 0 | 0 | 0 | 0 | 116 | T30 Q31 | T30-S34 VanDerWaalsContact O-CB 3.28Å; T30-S34 WeakPolarHBondContact O-CB 3.46Å; T30-S34 PolarHBondContact O-N 3.47Å; Q31-S34 PolarHBondContact O-OG 3.39Å |
| 35 | R | 55.9 | Low | 62.2 | Low | 228 Ų | 228 | 133.8 Ų | 133.8 | 86% | 0.86 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -4.9 | 176.1 | -59.3 | -167.6 | -168.9 | 177.5 | 3.7 | 114.1 | E33 | E33-R35 PolarHBondContact O-N 3.38Š|
| 36 | K | 55.8 | Low | 61.8 | Low | 195 Ų | 195 | 132.8 Ų | 132.8 | 85% | 0.848 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -145.7 | 23 | -171.8 | -88 | 178.2 | -177.1 | 177.4 | 0 | 116 | E33 | E33-K36 PolarHBondContact O-N 3.21Š|
| 37 | S | 50.9 | Low | 61.5 | Low | 59 Ų | 59 | 134.3 Ų | 134.3 | 41% | 0.413 | 69% | 0.689 | S | S | . | * | trans | -162.5 | 81.6 | 166.6 | 44 | 0 | 0 | 0 | 0 | 111.4 | E33 S39 | E33-S37 VanDerWaalsContact CG-OG 3.29Å; E33-S37 WeakPolarHBondContact CG-OG 3.38Å; E33-S37 PolarHBondContact O-N 3.33Å; E33-S37 PolarHBondContact OE1-OG 3.16Å; S37-S39 PolarHBondContact O-N 2.9Å | ||
| 38 | K | 54.4 | Low | 61.1 | Low | 218 Ų | 218 | 135.9 Ų | 135.9 | 95% | 0.948 | 69% | 0.694 | S | S | * | * | trans | -83.1 | 56.6 | 170 | -153.3 | 155.1 | -172.2 | 163.1 | 0 | 109.5 | ||||
| 39 | S | 56.2 | Low | 61.2 | Low | 92 Ų | 92 | 135.8 Ų | 135.8 | 64% | 0.643 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 118 | 165.3 | 61.5 | 0 | 0 | 0 | 0 | 108.1 | S37 | S37-S39 PolarHBondContact O-N 2.9Š|
| 40 | P | 64.8 | Low | 61.4 | Low | 105 Ų | 105 | 139 Ų | 139 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 148.5 | 170.3 | -23 | 32.8 | 0 | 0 | 0 | 110.4 | K42 | P40-K42 PolarHBondContact O-N 3.48Š|
| 41 | P | 64.1 | Low | 61.9 | Low | 108 Ų | 108 | 139.7 Ų | 139.7 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 135.5 | 171.6 | 22.6 | -32.1 | 0 | 0 | 0 | 109 | V43 | P41-V43 PolarHBondContact O-N 2.9Š|
| 42 | K | 61.3 | Low | 62.3 | Low | 215 Ų | 215 | 139.3 Ų | 139.3 | 94% | 0.935 | 73% | 0.728 | S | S | * | * | trans | -63.5 | 80.1 | 175 | -105.7 | 110.1 | 172.1 | -178.4 | 0 | 109.1 | P40 | P40-K42 PolarHBondContact O-N 3.48Š| ||
| 43 | V | 68 | Low | 63 | Low | 104 Ų | 104 | 136 Ų | 136 | 63% | 0.63 | 73% | 0.726 | S | S | * | * | trans | -72.6 | 141.7 | 157.4 | -84.6 | 0 | 0 | 0 | 0 | 107.6 | P41 I45 | P41-V43 PolarHBondContact O-N 2.9Å; V43-I45 PolarHBondContact O-N 3.5Å | ||
| 44 | P | 67.9 | Low | 63.9 | Low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | -55 | 117.3 | 172.6 | 23.3 | -31.7 | 0 | 0 | 0 | 108.2 | V46 | P44-V46 PolarHBondContact O-N 3.25Š| ||
| 45 | I | 63.6 | Low | 65 | Low | 154 Ų | 154 | 134.2 Ų | 134.2 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | -69.2 | 105.7 | 175.3 | -63.4 | 168.5 | 0 | 0 | 0 | 105.9 | V43 I47 | V43-I45 PolarHBondContact O-N 3.5Å; I45-I47 PolarHBondContact O-N 3.09Å | ||
| 46 | V | 71.9 | Confident | 66.2 | Low | 104 Ų | 104 | 129 Ų | 129 | 63% | 0.63 | 74% | 0.736 | S | S | * | * | trans | -72.4 | 112.6 | 163.6 | 177.5 | 0 | 0 | 0 | 0 | 105.6 | P44 Q48 | P44-V46 PolarHBondContact O-N 3.25Å; V46-Q48 HydrophobicContact CB-CG 4.44Å; V46-Q48 HydrophobicContact CG1-CG 3.79Å; V46-Q48 PolarHBondContact O-N 3Å; V46-Q48 VanDerWaalsContact O-N 3.09Å | ||
| 47 | I | 70.4 | Confident | 67.5 | Low | 154 Ų | 154 | 124.7 Ų | 124.7 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | trans | -67.3 | 105.5 | 168.8 | -59.4 | 172.9 | 0 | 0 | 0 | 105.6 | I45 | I45-I47 PolarHBondContact O-N 3.09Š| ||
| 48 | Q | 64.6 | Low | 69.1 | Low | 142 Ų | 142 | 127.8 Ų | 127.8 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | trans | -98.5 | 128.6 | 173.2 | -65.4 | -176.9 | -4.9 | 0 | 0 | 107 | V46 D50 | V46-Q48 HydrophobicContact CB-CG 4.44Å; V46-Q48 HydrophobicContact CG1-CG 3.79Å; V46-Q48 PolarHBondContact O-N 3Å; V46-Q48 VanDerWaalsContact O-N 3.09Å; Q48-D50 PolarHBondContact O-N 2.82Å | ||
| 49 | D | 72.9 | Confident | 70.8 | Confident | 138 Ų | 138 | 125.8 Ų | 125.8 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | -61.8 | 118.2 | 170.5 | -69 | -44.7 | 0 | 0 | 0 | 108.5 | S51 | D49-S51 PolarHBondContact O-N 2.9Š| ||
| 50 | D | 65.7 | Low | 72.1 | Confident | 171 Ų | 171 | 128.5 Ų | 128.5 | 91% | 0.914 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 17 | -179.4 | -72 | -40.7 | 0 | 0 | 0 | 114.3 | Q48 | Q48-D50 PolarHBondContact O-N 2.82Š|
| 51 | S | 67.8 | Low | 73.2 | Confident | 94 Ų | 94 | 134.6 Ų | 134.6 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -10.6 | -179.6 | 66 | 0 | 0 | 0 | 0 | 113.9 | D49 | D49-S51 PolarHBondContact O-N 2.9Š|
| 52 | L | 68.2 | Low | 74.3 | Confident | 139 Ų | 139 | 136.8 Ų | 136.8 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -123.2 | 128.4 | -179 | -59.9 | 177.5 | 0 | 0 | 0 | 110.3 | A54 | L52-A54 PolarHBondContact O-N 2.77Š|
| 53 | P | 70.6 | Confident | 75.5 | Confident | 122 Ų | 122 | 134.2 Ų | 134.2 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 130.3 | 175.4 | 24.5 | -32 | 0 | 0 | 0 | 109.4 | G55 | P53-G55 PolarHBondContact O-N 2.94Å; P53-G55 VanDerWaalsContact O-N 3.09Å |
| 54 | A | 73.4 | Confident | 76.4 | Confident | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 119 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | L52 | L52-A54 PolarHBondContact O-N 2.77Š|
| 55 | G | 75.8 | Confident | 77.2 | Confident | 60 Ų | 60 | 142.8 Ų | 142.8 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 155.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P53 | P53-G55 PolarHBondContact O-N 2.94Å; P53-G55 VanDerWaalsContact O-N 3.09Å |
| 56 | P | 82.1 | Confident | 78.2 | Confident | 118 Ų | 118 | 140.8 Ų | 140.8 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 141.3 | -177 | 20.6 | -31.2 | 0 | 0 | 0 | 111.4 | ||
| 57 | P | 83.4 | Confident | 78.5 | Confident | 105 Ų | 105 | 142.7 Ų | 142.7 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 141.4 | -177.2 | 25.6 | -34.2 | 0 | 0 | 0 | 110.3 | Q59 | P57-Q59 PolarHBondContact O-N 2.88Š|
| 58 | P | 85.1 | Confident | 78.6 | Confident | 124 Ų | 124 | 138.3 Ų | 138.3 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 127.1 | -178.1 | 25 | -33.6 | 0 | 0 | 0 | 110.6 | ||
| 59 | Q | 88.4 | Confident | 78.6 | Confident | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -91 | 107.8 | 176.4 | -66.7 | 171.4 | 11 | 0 | 0 | 109.3 | P57 | P57-Q59 PolarHBondContact O-N 2.88Š| ||
| 60 | I | 84.8 | Confident | 78.1 | Confident | 149 Ų | 149 | 136.1 Ų | 136.1 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -83.5 | 133.1 | 169.3 | 60.1 | 172.1 | 0 | 0 | 0 | 109.7 | ||||
| 61 | R | 87.4 | Confident | 77.6 | Confident | 234 Ų | 234 | 133.1 Ų | 133.1 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -123.9 | 112.8 | 171.2 | -65 | 179.3 | 70.3 | -176.7 | 2.1 | 108.1 | ||||
| 62 | I | 86.6 | Confident | 77.2 | Confident | 154 Ų | 154 | 133.7 Ų | 133.7 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 123.5 | 177.9 | -58.8 | 174.8 | 0 | 0 | 0 | 108.2 | ||
| 63 | L | 87.1 | Confident | 76.6 | Confident | 160 Ų | 160 | 132.7 Ų | 132.7 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 131.8 | 173.1 | -171.8 | 63 | 0 | 0 | 0 | 109.6 | R65 | L63-R65 PolarHBondContact O-N 3.28Š|
| 64 | K | 87.2 | Confident | 75.7 | Confident | 184 Ų | 184 | 129.4 Ų | 129.4 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 124.3 | 179.1 | -170.9 | 158.7 | 178.2 | 167.6 | 0 | 109.2 | ||
| 65 | R | 84.8 | Confident | 75.1 | Confident | 219 Ų | 219 | 130.6 Ų | 130.6 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 141.6 | 175.3 | -61.7 | -179.5 | -179.1 | -150.3 | 0.2 | 109.2 | L63 | L63-R65 PolarHBondContact O-N 3.28Š|
| 66 | P | 83.7 | Confident | 74.2 | Confident | 111 Ų | 111 | 134.8 Ų | 134.8 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -61 | 139 | 170.9 | 24.7 | -31.1 | 0 | 0 | 0 | 109.7 | S68 | P66-S68 PolarHBondContact O-N 2.84Š|
| 67 | T | 78 | Confident | 72.9 | Confident | 144 Ų | 144 | 132.8 Ų | 132.8 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -78.6 | -1.3 | 178.6 | 52 | 0 | 0 | 0 | 0 | 113 | ||
| 68 | S | 73.9 | Confident | 71.3 | Confident | 63 Ų | 63 | 134.2 Ų | 134.2 | 44% | 0.441 | 74% | 0.744 | S | S | . | * | S | Bend | trans | -105.8 | 115.9 | 175.3 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | P66 G70 | P66-S68 PolarHBondContact O-N 2.84Å; S68-G70 PolarHBondContact O-N 2.83Å |
| 69 | N | 64.4 | Low | 69.9 | Low | 161 Ų | 161 | 132.9 Ų | 132.9 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -58.1 | 102.2 | 169.4 | -88.2 | -11.1 | 0 | 0 | 0 | 109.3 | V71 | N69-V71 WeakPolarHBondContact O-CG2 3.25Å; N69-V71 PolarHBondContact O-N 3.19Å |
| 70 | G | 61.1 | Low | 68.6 | Low | 72 Ų | 72 | 135.8 Ų | 135.8 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 66.2 | -2.2 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | S68 V72 | S68-G70 PolarHBondContact O-N 2.83Å; G70-V72 PolarHBondContact O-N 3.24Å |
| 71 | V | 56.1 | Low | 67.2 | Low | 109 Ų | 109 | 133.9 Ų | 133.9 | 66% | 0.661 | 74% | 0.738 | S | S | * | * | trans | -85.9 | 60.1 | 171.5 | -150.3 | 0 | 0 | 0 | 0 | 109.2 | N69 S73 | N69-V71 WeakPolarHBondContact O-CG2 3.25Å; N69-V71 PolarHBondContact O-N 3.19Å; V71-S73 PolarHBondContact O-N 3.13Å | ||
| 72 | V | 58.9 | Low | 66 | Low | 105 Ų | 105 | 129 Ų | 129 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | -70.3 | 109.8 | 155.3 | -79.6 | 0 | 0 | 0 | 0 | 105.5 | G70 S74 | G70-V72 PolarHBondContact O-N 3.24Å; V72-S74 PolarHBondContact O-N 3Å | ||
| 73 | S | 55 | Low | 65.1 | Low | 118 Ų | 118 | 129.2 Ų | 129.2 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -57.1 | 75.4 | 165.4 | -59.6 | 0 | 0 | 0 | 0 | 109.1 | V71 | V71-S73 PolarHBondContact O-N 3.13Š| ||
| 74 | S | 51.9 | Low | 64.4 | Low | 53 Ų | 53 | 126.7 Ų | 126.7 | 37% | 0.371 | 73% | 0.73 | S | S | . | * | trans | -95.8 | 115 | 169.6 | -61.3 | 0 | 0 | 0 | 0 | 104.9 | V72 N76 S77 | V72-S74 PolarHBondContact O-N 3Å; S74-N76 PolarHBondContact O-N 3.35Å; S74-S77 PolarHBondContact O-N 3.43Å; S74-S77 PolarHBondContact O-OG 3.35Å | ||
| 75 | P | 60.8 | Low | 64 | Low | 123 Ų | 123 | 124.3 Ų | 124.3 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 1.7 | 178.9 | 24.1 | -31.9 | 0 | 0 | 0 | 114 | ||
| 76 | N | 57 | Low | 63.9 | Low | 148 Ų | 148 | 117.6 Ų | 117.6 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | 9 | -178 | -74.4 | 7.8 | 0 | 0 | 0 | 115.1 | S74 | S74-N76 PolarHBondContact O-N 3.35Š|
| 77 | S | 55.3 | Low | 63.9 | Low | 77 Ų | 77 | 116 Ų | 116 | 54% | 0.538 | 70% | 0.699 | S | S | . | * | trans | -92.8 | 0.7 | 177.5 | 62.7 | 0 | 0 | 0 | 0 | 114.6 | S74 S79 | S74-S77 PolarHBondContact O-N 3.43Å; S74-S77 PolarHBondContact O-OG 3.35Å; S77-S79 PolarHBondContact O-N 3.1Å | ||
| 78 | T | 50.4 | Low | 64.3 | Low | 134 Ų | 134 | 114.2 Ų | 114.2 | 82% | 0.822 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 53.1 | 176.5 | -39.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 79 | S | 55.3 | Low | 65 | Low | 96 Ų | 96 | 114.1 Ų | 114.1 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.9 | 9.4 | 173.2 | 71.4 | 0 | 0 | 0 | 0 | 116.8 | S77 P81 | S77-S79 PolarHBondContact O-N 3.1Å; S79-P81 WeakPolarHBondContact O-CD 3.24Å |
| 80 | R | 60.5 | Low | 66.2 | Low | 238 Ų | 238 | 110.8 Ų | 110.8 | 90% | 0.898 | 67% | 0.665 | S | S | * | * | trans | -66.9 | 111 | 165.2 | -88.8 | -168.6 | 175.6 | -146.4 | -0.9 | 107.4 | T82 | R80-T82 PolarHBondContact O-N 3.39Š| ||
| 81 | P | 56.9 | Low | 67.5 | Low | 108 Ų | 108 | 114.2 Ų | 114.2 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -61 | 132.5 | 176.5 | -13.2 | 29.3 | 0 | 0 | 0 | 106.7 | S79 L83 | S79-P81 WeakPolarHBondContact O-CD 3.24Å; P81-L83 PolarHBondContact O-N 3.44Å |
| 82 | T | 60.6 | Low | 69 | Low | 131 Ų | 131 | 114.8 Ų | 114.8 | 80% | 0.804 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 118 | 164.5 | 43.1 | 0 | 0 | 0 | 0 | 106.7 | R80 P84 | R80-T82 PolarHBondContact O-N 3.39Å; T82-P84 VanDerWaalsContact O-CD 3.26Å; T82-P84 WeakPolarHBondContact O-CD 3.27Å; T82-P84 VanDerWaalsContact O-N 3.09Å |
| 83 | L | 68.1 | Low | 70.4 | Confident | 159 Ų | 159 | 112.7 Ų | 112.7 | 83% | 0.832 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 118.9 | 175.8 | -69.5 | 175.5 | 0 | 0 | 0 | 106.6 | P81 V85 | P81-L83 PolarHBondContact O-N 3.44Å; L83-V85 PolarHBondContact O-N 3.49Å |
| 84 | P | 72.3 | Confident | 72 | Confident | 107 Ų | 107 | 110.7 Ų | 110.7 | 70% | 0.695 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -61 | 129.4 | 179.6 | 23.1 | -31 | 0 | 0 | 0 | 108.3 | T82 K86 | T82-P84 VanDerWaalsContact O-CD 3.26Å; T82-P84 WeakPolarHBondContact O-CD 3.27Å; T82-P84 VanDerWaalsContact O-N 3.09Å; P84-K86 PolarHBondContact O-N 3Å |
| 85 | V | 78.6 | Confident | 73.8 | Confident | 135 Ų | 135 | 116.2 Ų | 116.2 | 82% | 0.818 | 64% | 0.636 | S | S | * | * | trans | -67.8 | 100.6 | 176.3 | -176.9 | 0 | 0 | 0 | 0 | 107.2 | L83 S87 | L83-V85 PolarHBondContact O-N 3.49Å; V85-S87 PolarHBondContact O-N 2.88Å | ||
| 86 | K | 82.3 | Confident | 75.2 | Confident | 78 Ų | 78 | 112.5 Ų | 112.5 | 34% | 0.339 | 62% | 0.616 | S | S | . | * | trans | -61.5 | 135.3 | 174.8 | -63.2 | -177.1 | -177.6 | -174.4 | 0 | 109.5 | P84 Q90 R91 E94 | P84-K86 PolarHBondContact O-N 3Å; K86-Q90 HydrophobicContact CB-CB 4.27Å; K86-Q90 HydrophobicContact CB-CG 4.25Å; K86-Q90 HydrophobicContact CD-CG 4.2Å; K86-Q90 HydrophobicContact CG-CG 4.46Å; K86-R91 HydrophobicContact CB-CG 4.3Å; K86-R91 PolarHBondContact O-NE 2.95Å; K86-R91 PolarHBondContact O-NH2 3.42Å; K86-E94 WeakPolarHBondContact CD-OE1 3.39Å; K86-E94 WeakPolarHBondContact CE-OE1 3.44Å; K86-E94 IonicContact NZ-OE1 3.26Å; K86-E94 PolarHBondContact NZ-OE1 3.11Å; K86-E94 IonicContact NZ-OE2 2.77Å; K86-E94 PolarHBondContact NZ-OE2 3.01Å | ||
| 87 | S | 84.9 | Confident | 76.7 | Confident | 78 Ų | 78 | 111.7 Ų | 111.7 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | trans | -53.6 | 153.3 | 172.6 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | V85 A89 Q90 R91 | V85-S87 PolarHBondContact O-N 2.88Å; S87-A89 VanDerWaalsContact C-N 3.29Å; S87-A89 PolarHBondContact O-N 2.92Å; S87-Q90 WeakPolarHBondContact O-CB 3.21Å; S87-Q90 PolarHBondContact O-N 3.26Å; S87-Q90 VanDerWaalsContact O-N 3.11Å; S87-R91 PolarHBondContact O-N 2.98Å; S87-R91 VanDerWaalsContact O-N 3.16Å | ||
| 88 | L | 86.4 | Confident | 78.5 | Confident | 106 Ų | 106 | 110 Ų | 110 | 56% | 0.555 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -51.6 | -50.5 | 176.4 | -161 | -171.3 | 0 | 0 | 0 | 110.4 | Q90 R91 E92 | L88-Q90 PolarHBondContact O-N 2.86Å; L88-Q90 VanDerWaalsContact O-N 3.17Å; L88-R91 WeakPolarHBondContact O-CA 3.44Å; L88-R91 WeakPolarHBondContact O-CB 3.33Å; L88-R91 PolarHBondContact O-N 3.3Å; L88-E92 HydrophobicContact CD2-CG 3.55Å; L88-E92 WeakPolarHBondContact CD2-OE1 3.49Å; L88-E92 PolarHBondContact O-N 2.91Å |
| 89 | A | 88 | Confident | 80.3 | Confident | 61 Ų | 61 | 108.5 Ų | 108.5 | 50% | 0.504 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -57.4 | -34.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S87 A93 | S87-A89 VanDerWaalsContact C-N 3.29Å; S87-A89 PolarHBondContact O-N 2.92Å; A89-A93 WeakPolarHBondContact O-CB 3.35Å; A89-A93 PolarHBondContact O-N 2.83Å; A89-A93 VanDerWaalsContact O-N 3.08Å |
| 90 | Q | 90.6 | Very high | 81.5 | Confident | 90 Ų | 90 | 108.4 Ų | 108.4 | 42% | 0.421 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.4 | -39.2 | 177 | -174.2 | 178.6 | 2.1 | 0 | 0 | 111.4 | K86 S87 L88 A93 E94 | K86-Q90 HydrophobicContact CB-CB 4.27Å; K86-Q90 HydrophobicContact CB-CG 4.25Å; K86-Q90 HydrophobicContact CD-CG 4.2Å; K86-Q90 HydrophobicContact CG-CG 4.46Å; S87-Q90 WeakPolarHBondContact O-CB 3.21Å; S87-Q90 PolarHBondContact O-N 3.26Å; S87-Q90 VanDerWaalsContact O-N 3.11Å; L88-Q90 PolarHBondContact O-N 2.86Å; L88-Q90 VanDerWaalsContact O-N 3.17Å; Q90-A93 PolarHBondContact O-N 3.44Å; Q90-E94 WeakPolarHBondContact O-CG 3.41Å; Q90-E94 PolarHBondContact O-N 3.21Å; Q90-E94 VanDerWaalsContact O-N 3.1Å |
| 91 | R | 88.4 | Confident | 82.8 | Confident | 144 Ų | 144 | 107.4 Ų | 107.4 | 54% | 0.543 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.4 | -40.5 | 175.3 | -81.9 | -177.4 | -93.5 | 157.8 | -7.4 | 111.9 | K86 S87 L88 E94 Y95 | K86-R91 HydrophobicContact CB-CG 4.3Å; K86-R91 PolarHBondContact O-NE 2.95Å; K86-R91 PolarHBondContact O-NH2 3.42Å; S87-R91 PolarHBondContact O-N 2.98Å; S87-R91 VanDerWaalsContact O-N 3.16Å; L88-R91 WeakPolarHBondContact O-CA 3.44Å; L88-R91 WeakPolarHBondContact O-CB 3.33Å; L88-R91 PolarHBondContact O-N 3.3Å; R91-E94 PolarHBondContact O-N 2.92Å; R91-Y95 WeakPolarHBondContact O-CB 3.43Å; R91-Y95 PolarHBondContact O-N 3.38Å |
| 92 | E | 87.1 | Confident | 84 | Confident | 122 Ų | 122 | 109.3 Ų | 109.3 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.2 | -42.9 | 176.2 | -73.3 | 174.9 | 160.6 | 0 | 0 | 112.3 | L88 Y95 A96 | L88-E92 HydrophobicContact CD2-CG 3.55Å; L88-E92 WeakPolarHBondContact CD2-OE1 3.49Å; L88-E92 PolarHBondContact O-N 2.91Å; E92-Y95 PolarHBondContact O-N 3.4Å; E92-A96 VanDerWaalsContact O-CB 3.31Å; E92-A96 WeakPolarHBondContact O-CB 3.3Å; E92-A96 PolarHBondContact O-N 3.36Å |
| 93 | A | 87.8 | Confident | 85.3 | Confident | 61 Ų | 61 | 107.7 Ų | 107.7 | 50% | 0.504 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.5 | -45.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | A89 Q90 A96 E97 | A89-A93 WeakPolarHBondContact O-CB 3.35Å; A89-A93 PolarHBondContact O-N 2.83Å; A89-A93 VanDerWaalsContact O-N 3.08Å; Q90-A93 PolarHBondContact O-N 3.44Å; A93-A96 PolarHBondContact O-N 3.44Å; A93-E97 PolarHBondContact O-N 3.33Å |
| 94 | E | 89.3 | Confident | 85.4 | Confident | 76 Ų | 76 | 103.4 Ų | 103.4 | 36% | 0.355 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 176.1 | -73.3 | 175.9 | -160.2 | 0 | 0 | 111.9 | K86 Q90 R91 E97 A98 | K86-E94 WeakPolarHBondContact CD-OE1 3.39Å; K86-E94 WeakPolarHBondContact CE-OE1 3.44Å; K86-E94 IonicContact NZ-OE1 3.26Å; K86-E94 PolarHBondContact NZ-OE1 3.11Å; K86-E94 IonicContact NZ-OE2 2.77Å; K86-E94 PolarHBondContact NZ-OE2 3.01Å; Q90-E94 WeakPolarHBondContact O-CG 3.41Å; Q90-E94 PolarHBondContact O-N 3.21Å; Q90-E94 VanDerWaalsContact O-N 3.1Å; R91-E94 PolarHBondContact O-N 2.92Å; E94-E97 PolarHBondContact O-N 3.1Å; E94-A98 VanDerWaalsContact O-CB 3.3Å; E94-A98 WeakPolarHBondContact O-CB 3.19Å; E94-A98 PolarHBondContact O-N 3.08Å |
| 95 | Y | 89.3 | Confident | 84.6 | Confident | 168 Ų | 168 | 101.9 Ų | 101.9 | 66% | 0.659 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66 | -40.9 | 175.2 | -172.8 | -94.1 | 0 | 0 | 0 | 111.6 | R91 E92 A98 R99 | R91-Y95 WeakPolarHBondContact O-CB 3.43Å; R91-Y95 PolarHBondContact O-N 3.38Å; E92-Y95 PolarHBondContact O-N 3.4Å; Y95-A98 PolarHBondContact O-N 3.33Å; Y95-R99 WeakPolarHBondContact O-CB 3.43Å; Y95-R99 PolarHBondContact O-N 2.92Å |
| 96 | A | 89.2 | Confident | 83.2 | Confident | 45 Ų | 45 | 98.8 Ų | 98.8 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E92 A93 R99 K100 | E92-A96 VanDerWaalsContact O-CB 3.31Å; E92-A96 WeakPolarHBondContact O-CB 3.3Å; E92-A96 PolarHBondContact O-N 3.36Å; A93-A96 PolarHBondContact O-N 3.44Å; A96-R99 PolarHBondContact O-N 2.83Å; A96-K100 VanDerWaalsContact O-CG 3.31Å; A96-K100 WeakPolarHBondContact O-CG 3.04Å; A96-K100 PolarHBondContact O-N 2.93Å |
| 97 | E | 89.8 | Confident | 81.4 | Confident | 131 Ų | 131 | 99.1 Ų | 99.1 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.9 | -50.8 | 175.9 | -171.7 | -164.8 | 159.6 | 0 | 0 | 111.9 | A93 E94 R99 K100 R101 | A93-E97 PolarHBondContact O-N 3.33Å; E94-E97 PolarHBondContact O-N 3.1Å; E97-R99 PolarHBondContact O-N 3.47Å; E97-K100 CarbonylContact O-C 3.58Å; E97-K100 WeakPolarHBondContact O-CA 3.31Å; E97-K100 WeakPolarHBondContact O-CB 3.31Å; E97-K100 PolarHBondContact O-N 2.81Å; E97-R101 PolarHBondContact O-N 3.35Å |
| 98 | A | 91.7 | Very high | 79.8 | Confident | 43 Ų | 43 | 100.5 Ų | 100.5 | 36% | 0.355 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E94 Y95 R101 I102 | E94-A98 VanDerWaalsContact O-CB 3.3Å; E94-A98 WeakPolarHBondContact O-CB 3.19Å; E94-A98 PolarHBondContact O-N 3.08Å; Y95-A98 PolarHBondContact O-N 3.33Å; A98-R101 PolarHBondContact O-N 2.65Å; A98-I102 WeakPolarHBondContact O-CB 3.49Å; A98-I102 WeakPolarHBondContact O-CG1 3.49Å; A98-I102 PolarHBondContact O-N 3.24Å |
| 99 | R | 88.5 | Confident | 77.7 | Confident | 101 Ų | 101 | 104 Ų | 104 | 38% | 0.381 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.4 | -40.7 | 172.9 | -169.8 | 176.2 | -176.3 | -89.5 | 7 | 111.6 | Y95 A96 E97 R101 L103 | Y95-R99 WeakPolarHBondContact O-CB 3.43Å; Y95-R99 PolarHBondContact O-N 2.92Å; A96-R99 PolarHBondContact O-N 2.83Å; E97-R99 PolarHBondContact O-N 3.47Å; R99-R101 VanDerWaalsContact C-N 3.34Å; R99-L103 HydrophobicContact CG-CB 4.39Å; R99-L103 HydrophobicContact CG-CD2 4.4Å; R99-L103 WeakPolarHBondContact O-CA 3.5Å; R99-L103 WeakPolarHBondContact O-CB 3.46Å; R99-L103 PolarHBondContact O-N 3.06Å |
| 100 | K | 81 | Confident | 75.7 | Confident | 95 Ų | 95 | 110.1 Ų | 110.1 | 41% | 0.413 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.9 | -43.8 | 171.9 | -59.9 | -46.8 | 161.5 | -178.4 | 0 | 111.5 | A96 E97 G104 A106 | A96-K100 VanDerWaalsContact O-CG 3.31Å; A96-K100 WeakPolarHBondContact O-CG 3.04Å; A96-K100 PolarHBondContact O-N 2.93Å; E97-K100 CarbonylContact O-C 3.58Å; E97-K100 WeakPolarHBondContact O-CA 3.31Å; E97-K100 WeakPolarHBondContact O-CB 3.31Å; E97-K100 PolarHBondContact O-N 2.81Å; K100-G104 VanDerWaalsContact O-CA 3.27Å; K100-G104 WeakPolarHBondContact O-CA 3.42Å; K100-G104 PolarHBondContact O-N 3.25Å; K100-A106 HydrophobicContact CD-CB 3.85Å |
| 101 | R | 87.1 | Confident | 73.4 | Confident | 217 Ų | 217 | 114.5 Ų | 114.5 | 82% | 0.819 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.9 | -42.4 | -178.6 | -176.6 | 176.5 | -179.2 | 163.2 | 1.5 | 112.7 | E97 A98 R99 | E97-R101 PolarHBondContact O-N 3.35Å; A98-R101 PolarHBondContact O-N 2.65Å; R99-R101 VanDerWaalsContact C-N 3.34Å |
| 102 | I | 83.6 | Confident | 71.3 | Confident | 148 Ų | 148 | 115.7 Ų | 115.7 | 76% | 0.759 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -82.6 | -48 | -177.2 | -64.6 | 169.7 | 0 | 0 | 0 | 111.1 | A98 | A98-I102 WeakPolarHBondContact O-CB 3.49Å; A98-I102 WeakPolarHBondContact O-CG1 3.49Å; A98-I102 PolarHBondContact O-N 3.24Å |
| 103 | L | 86.2 | Confident | 69.3 | Low | 97 Ų | 97 | 118.2 Ų | 118.2 | 51% | 0.508 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -95.7 | -14.4 | -169.3 | -168.3 | 57 | 0 | 0 | 0 | 113.3 | R99 S105 | R99-L103 HydrophobicContact CG-CB 4.39Å; R99-L103 HydrophobicContact CG-CD2 4.4Å; R99-L103 WeakPolarHBondContact O-CA 3.5Å; R99-L103 WeakPolarHBondContact O-CB 3.46Å; R99-L103 PolarHBondContact O-N 3.06Å; L103-S105 PolarHBondContact O-N 3.01Å |
| 104 | G | 71.4 | Confident | 67.3 | Low | 68 Ų | 68 | 124.8 Ų | 124.8 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | trans | 66.9 | -5.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | K100 | K100-G104 VanDerWaalsContact O-CA 3.27Å; K100-G104 WeakPolarHBondContact O-CA 3.42Å; K100-G104 PolarHBondContact O-N 3.25Å | ||
| 105 | S | 54.8 | Low | 65.1 | Low | 76 Ų | 76 | 125.9 Ų | 125.9 | 53% | 0.531 | 65% | 0.651 | S | S | . | * | trans | -135.3 | 110.8 | 179.5 | 59.1 | 0 | 0 | 0 | 0 | 111.4 | L103 S107 | L103-S105 PolarHBondContact O-N 3.01Å; S105-S107 PolarHBondContact O-N 2.82Å | ||
| 106 | A | 50.3 | Low | 63 | Low | 69 Ų | 69 | 124.9 Ų | 124.9 | 57% | 0.57 | 66% | 0.655 | S | S | * | * | trans | -69.7 | 100.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K100 | K100-A106 HydrophobicContact CD-CB 3.85Š| ||
| 107 | S | 44.2 | Very low | 61.2 | Low | 86 Ų | 86 | 129.8 Ų | 129.8 | 60% | 0.601 | 68% | 0.675 | S | S | * | * | trans | -129.4 | 126.5 | 150.9 | -157.6 | 0 | 0 | 0 | 0 | 110.2 | S105 | S105-S107 PolarHBondContact O-N 2.82Š| ||
| 108 | P | 52.1 | Low | 59.2 | Low | 106 Ų | 106 | 130.4 Ų | 130.4 | 69% | 0.688 | 68% | 0.682 | S | S | * | * | trans | -77.7 | 168.6 | 163 | 37.3 | -30.6 | 0 | 0 | 0 | 108.9 | E110 | P108-E110 PolarHBondContact O-N 2.66Š| ||
| 109 | E | 42.1 | Very low | 57.2 | Low | 180 Ų | 180 | 138.8 Ų | 138.8 | 84% | 0.841 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 10 | 107.6 | 148.9 | -134.7 | 76.2 | -176.6 | 0 | 0 | 116.3 | ||
| 110 | E | 45.2 | Very low | 54.9 | Low | 189 Ų | 189 | 139.9 Ų | 139.9 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | 171.5 | 127.1 | 126.4 | -91.6 | -171.4 | -176.8 | 0 | 0 | 111.5 | P108 | P108-E110 PolarHBondContact O-N 2.66Š| |||
| 111 | E | 42.5 | Very low | 53.6 | Low | 182 Ų | 182 | 140.7 Ų | 140.7 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | trans | -55 | 132.3 | 160.7 | -61.1 | 171.8 | 122 | 0 | 0 | 110 | ||||
| 112 | Q | 44 | Very low | 51.9 | Low | 170 Ų | 170 | 141.5 Ų | 141.5 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | 153.7 | 124.2 | 134 | -84.6 | 174.1 | -13.5 | 0 | 0 | 113.6 | ||||
| 113 | E | 45.8 | Very low | 50.7 | Low | 174 Ų | 174 | 142.1 Ų | 142.1 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | 72.3 | 90.7 | 140.9 | -60.6 | -174.5 | 169.2 | 0 | 0 | 121.2 | ||||
| 114 | K | 44.9 | Very low | 48.9 | Very low | 199 Ų | 199 | 143.1 Ų | 143.1 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | 3 | 165.7 | 129.8 | -67.7 | -175.6 | -172.8 | 175.2 | 0 | 119.2 | |||||
| 115 | P | 44.5 | Very low | 48.2 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | cis | -145.4 | -177.7 | -35.8 | 40.4 | -21.3 | 0 | 0 | 0 | 114.1 | ||||
| 116 | I | 44 | Very low | 48.3 | Very low | 147 Ų | 147 | 150.5 Ų | 150.5 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 75.8 | 104.6 | 161.8 | -46.8 | 150.5 | 0 | 0 | 0 | 116.3 | ||||
| 117 | L | 51.7 | Low | 48 | Very low | 148 Ų | 148 | 155 Ų | 155 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | -171.3 | 122.5 | 117.9 | -126.6 | 100.3 | 0 | 0 | 0 | 110.7 | |||||
| 118 | D | 48.4 | Very low | 48.3 | Very low | 144 Ų | 144 | 158.6 Ų | 158.6 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | 39.4 | 106 | 143.7 | -67.7 | -24.6 | 0 | 0 | 0 | 119.7 | ||||
| 119 | R | 49.9 | Very low | 48 | Very low | 218 Ų | 218 | 158 Ų | 158 | 82% | 0.823 | 80% | 0.797 | S | S | * | * | 155.1 | 119.1 | 115 | -174.7 | 167.5 | -175.6 | 178.6 | 1.3 | 112.3 | |||||
| 120 | P | 39.6 | Very low | 48.7 | Very low | 124 Ų | 124 | 161.1 Ų | 161.1 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -100.2 | 120.8 | 172.9 | 34.6 | -25.6 | 0 | 0 | 0 | 111.3 | ||||
| 121 | T | 52.7 | Low | 49.2 | Very low | 112 Ų | 112 | 161.2 Ų | 161.2 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | trans | -158.9 | 96 | 161.6 | 33.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 122 | R | 53 | Low | 49.6 | Very low | 235 Ų | 235 | 157.5 Ų | 157.5 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | 36.7 | 111.1 | 96.6 | -84.7 | -166.4 | 178.9 | 168.2 | 2.1 | 114.8 | |||||
| 123 | I | 57.8 | Low | 50.3 | Low | 161 Ų | 161 | 156.3 Ų | 156.3 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | 74.1 | 119 | 132.5 | -130.9 | 147 | 0 | 0 | 0 | 118.2 | ||||
| 124 | S | 47.7 | Very low | 51.3 | Low | 117 Ų | 117 | 155.4 Ų | 155.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -159.7 | 90.5 | 141.8 | 59.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 125 | Q | 57.1 | Low | 52.4 | Low | 177 Ų | 177 | 151 Ų | 151 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -78.7 | 140.9 | 148.8 | -74.3 | -141.7 | -7.9 | 0 | 0 | 107.5 | E127 | Q125-E127 PolarHBondContact O-N 2.75Š| ||
| 126 | P | 57.1 | Low | 53.4 | Low | 122 Ų | 122 | 152.5 Ų | 152.5 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -77.2 | 114.4 | 173.1 | 29.6 | -29.7 | 0 | 0 | 0 | 110.9 | ||||
| 127 | E | 43.6 | Very low | 54.6 | Low | 164 Ų | 164 | 155.9 Ų | 155.9 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | 30.7 | 107.7 | 146 | -60.9 | -58.2 | 131.6 | 0 | 0 | 120.2 | Q125 | Q125-E127 PolarHBondContact O-N 2.75Š| ||
| 128 | D | 50.2 | Low | 55.6 | Low | 162 Ų | 162 | 154.3 Ų | 154.3 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -145 | 74.1 | 142.4 | -143 | -8.4 | 0 | 0 | 0 | 110.8 | R130 | D128-R130 PolarHBondContact O-N 2.96Š| ||
| 129 | S | 46.4 | Very low | 56.8 | Low | 93 Ų | 93 | 152.2 Ų | 152.2 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | 25.7 | 71.1 | 141.2 | -45.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 130 | R | 56.3 | Low | 58 | Low | 245 Ų | 245 | 147.3 Ų | 147.3 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | trans | -152.9 | 136.6 | 141.8 | -69.9 | -159.1 | -167.2 | 102.1 | 7.8 | 110.8 | D128 | D128-R130 PolarHBondContact O-N 2.96Š| ||
| 131 | Q | 55.9 | Low | 59.8 | Low | 191 Ų | 191 | 142.3 Ų | 142.3 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | trans | -50.1 | 156.5 | -174.1 | -82.5 | -169.2 | -15.3 | 0 | 0 | 116.2 | ||||
| 132 | P | 51.3 | Low | 61.1 | Low | 105 Ų | 105 | 144.4 Ų | 144.4 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | trans | -93.4 | 122.6 | -164 | 35.6 | -29 | 0 | 0 | 0 | 112.3 | ||||
| 133 | N | 59.5 | Low | 62.4 | Low | 145 Ų | 145 | 139 Ų | 139 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | -167.1 | 84.3 | 159.3 | -100 | -30.4 | 0 | 0 | 0 | 108.2 | V135 | N133-V135 PolarHBondContact O-N 3.5Š| ||
| 134 | N | 65.8 | Low | 63.4 | Low | 154 Ų | 154 | 133.5 Ų | 133.5 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | -78.1 | 15.3 | -173.3 | -61.7 | -15.3 | 0 | 0 | 0 | 113.7 | I136 | N134-I136 VanDerWaalsContact C-N 3.32Å; N134-I136 PolarHBondContact O-N 2.99Å | ||
| 135 | V | 68 | Low | 64.8 | Low | 108 Ų | 108 | 130 Ų | 130 | 66% | 0.655 | 69% | 0.694 | S | S | * | * | trans | -88.5 | 72.7 | 169.4 | -171.4 | 0 | 0 | 0 | 0 | 108.5 | N133 R137 Q138 | N133-V135 PolarHBondContact O-N 3.5Å; V135-R137 VanDerWaalsContact C-N 3.3Å; V135-R137 PolarHBondContact O-N 2.93Å; V135-Q138 HydrophobicContact CG1-CG 4.08Å | ||
| 136 | I | 65.8 | Low | 65.7 | Low | 131 Ų | 131 | 128 Ų | 128 | 67% | 0.672 | 69% | 0.685 | S | S | * | * | trans | -82.3 | -8.4 | -174.6 | -63.9 | 172.2 | 0 | 0 | 0 | 112.2 | N134 | N134-I136 VanDerWaalsContact C-N 3.32Å; N134-I136 PolarHBondContact O-N 2.99Å | ||
| 137 | R | 68.6 | Low | 66.5 | Low | 217 Ų | 217 | 124 Ų | 124 | 82% | 0.819 | 67% | 0.665 | S | S | * | * | trans | -141.1 | 44.2 | -159.5 | -56 | -177.3 | -178.1 | -85.5 | 0.4 | 113.5 | V135 P139 | V135-R137 VanDerWaalsContact C-N 3.3Å; V135-R137 PolarHBondContact O-N 2.93Å; R137-P139 WeakPolarHBondContact O-CD 3.5Å | ||
| 138 | Q | 72.9 | Confident | 67.8 | Low | 115 Ų | 115 | 125.5 Ų | 125.5 | 54% | 0.537 | 67% | 0.67 | S | S | . | * | trans | -69.3 | 118.4 | 153.4 | -73.4 | -69.1 | -25.2 | 0 | 0 | 105.8 | V135 L140 | V135-Q138 HydrophobicContact CG1-CG 4.08Å; Q138-L140 WeakPolarHBondContact O-CD1 3.48Å; Q138-L140 PolarHBondContact O-N 2.97Å | ||
| 139 | P | 73.2 | Confident | 68.7 | Low | 101 Ų | 101 | 126.5 Ų | 126.5 | 66% | 0.656 | 67% | 0.667 | S | S | * | * | trans | -61.8 | 108.7 | 175 | 26.1 | -31.9 | 0 | 0 | 0 | 107.5 | R137 | R137-P139 WeakPolarHBondContact O-CD 3.5Š| ||
| 140 | L | 76.2 | Confident | 69.8 | Low | 114 Ų | 114 | 130.1 Ų | 130.1 | 60% | 0.597 | 67% | 0.673 | S | S | * | * | B | Isolated β-bridge | trans | -71.9 | 138 | 166.1 | -91.7 | 67.6 | 0 | 0 | 0 | 107.5 | Q138 S145 | Q138-L140 WeakPolarHBondContact O-CD1 3.48Å; Q138-L140 PolarHBondContact O-N 2.97Å; L140-S145 CarbonylContact C-O 3.55Å; L140-S145 WeakPolarHBondContact CA-O 3.26Å |
| 141 | G | 76.3 | Confident | 70.5 | Confident | 20 Ų | 20 | 130 Ų | 130 | 21% | 0.206 | 67% | 0.673 | C | S | . | * | trans | -59.4 | 164.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | D143 G144 S145 | G141-D143 WeakPolarHBondContact CA-OD1 3.43Å; G141-D143 PolarHBondContact O-N 3.16Å; G141-D143 VanDerWaalsContact O-N 3.09Å; G141-G144 PolarHBondContact O-N 3.37Å; G141-S145 PolarHBondContact N-O 3.25Å | ||
| 142 | P | 79.7 | Confident | 71.4 | Confident | 155 Ų | 155 | 136.2 Ų | 136.2 | 100% | 1.006 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -19.8 | 174.8 | 26.2 | -34.3 | 0 | 0 | 0 | 112.9 | ||
| 143 | D | 82 | Confident | 72.4 | Confident | 122 Ų | 122 | 137.8 Ų | 137.8 | 65% | 0.652 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 1.1 | 173.9 | 65.8 | -19.7 | 0 | 0 | 0 | 114 | G141 S145 | G141-D143 WeakPolarHBondContact CA-OD1 3.43Å; G141-D143 PolarHBondContact O-N 3.16Å; G141-D143 VanDerWaalsContact O-N 3.09Å; D143-S145 VanDerWaalsContact C-N 3.3Å; D143-S145 VanDerWaalsContact CG-OG 3.27Å; D143-S145 VanDerWaalsContact OD1-CB 3.24Å; D143-S145 WeakPolarHBondContact OD1-CB 3.15Å; D143-S145 PolarHBondContact OD1-N 3.2Å; D143-S145 PolarHBondContact OD1-OG 3.17Å; D143-S145 WeakPolarHBondContact OD2-CB 3.45Å; D143-S145 PolarHBondContact OD2-OG 3.11Å |
| 144 | G | 78.7 | Confident | 73 | Confident | 45 Ų | 45 | 137.4 Ų | 137.4 | 46% | 0.464 | 68% | 0.684 | S | S | . | * | S | Bend | trans | 79.5 | 5.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G141 | G141-G144 PolarHBondContact O-N 3.37Š|
| 145 | S | 76.1 | Confident | 73.4 | Confident | 44 Ų | 44 | 136.4 Ų | 136.4 | 31% | 0.308 | 68% | 0.676 | S | S | . | * | trans | -73 | 148.7 | 179.6 | 67.4 | 0 | 0 | 0 | 0 | 112.6 | L140 G141 D143 G147 | L140-S145 CarbonylContact C-O 3.55Å; L140-S145 WeakPolarHBondContact CA-O 3.26Å; G141-S145 PolarHBondContact N-O 3.25Å; D143-S145 VanDerWaalsContact C-N 3.3Å; D143-S145 VanDerWaalsContact CG-OG 3.27Å; D143-S145 VanDerWaalsContact OD1-CB 3.24Å; D143-S145 WeakPolarHBondContact OD1-CB 3.15Å; D143-S145 PolarHBondContact OD1-N 3.2Å; D143-S145 PolarHBondContact OD1-OG 3.17Å; D143-S145 WeakPolarHBondContact OD2-CB 3.45Å; D143-S145 PolarHBondContact OD2-OG 3.11Å; S145-G147 VanDerWaalsContact C-N 3.27Å; S145-G147 PolarHBondContact O-N 3.28Å | ||
| 146 | Q | 76.1 | Confident | 73.8 | Confident | 135 Ų | 135 | 138.1 Ų | 138.1 | 63% | 0.631 | 68% | 0.677 | S | S | * | * | B | Isolated β-bridge | trans | -77.3 | 75.1 | 167.6 | -75.5 | -174.2 | -24.5 | 0 | 0 | 110.4 | ||
| 147 | G | 73.5 | Confident | 74.2 | Confident | 38 Ų | 38 | 138.6 Ų | 138.6 | 39% | 0.392 | 68% | 0.677 | S | S | . | * | S | Bend | trans | 42.9 | -153.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | S145 K149 | S145-G147 VanDerWaalsContact C-N 3.27Å; S145-G147 PolarHBondContact O-N 3.28Å; G147-K149 PolarHBondContact O-N 3.25Å; G147-K149 VanDerWaalsContact O-N 3.15Å |
| 148 | F | 70.4 | Confident | 74.6 | Confident | 195 Ų | 195 | 133.3 Ų | 133.3 | 86% | 0.855 | 67% | 0.668 | S | S | * | * | trans | -69.6 | 105.8 | -170.6 | -66.1 | -84.9 | 0 | 0 | 0 | 112.7 | ||||
| 149 | K | 70.5 | Confident | 74.7 | Confident | 184 Ų | 184 | 134.6 Ų | 134.6 | 80% | 0.8 | 68% | 0.677 | S | S | * | * | trans | -88.3 | 6.9 | 167.8 | -65.2 | -140.1 | 178.5 | -172 | 0 | 114.5 | G147 R151 | G147-K149 PolarHBondContact O-N 3.25Å; G147-K149 VanDerWaalsContact O-N 3.15Å; K149-R151 PolarHBondContact O-N 3.5Å | ||
| 150 | Q | 68.3 | Low | 74.9 | Confident | 168 Ų | 168 | 137.2 Ų | 137.2 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | trans | -83.6 | 117.1 | 177.2 | -79.1 | 167.9 | -35.9 | 0 | 0 | 110.7 | ||||
| 151 | R | 71.1 | Confident | 74.8 | Confident | 243 Ų | 243 | 139.2 Ų | 139.2 | 92% | 0.917 | 69% | 0.686 | S | S | * | * | trans | -71.2 | 142.6 | 160.5 | -69 | -158.2 | 170.5 | -105.4 | -0.9 | 108.5 | K149 | K149-R151 PolarHBondContact O-N 3.5Š| ||
| 152 | R | 74.5 | Confident | 74.6 | Confident | 321 Ų | 321 | 150 Ų | 150 | 100% | 1.211 | 73% | 0.729 | S | S | * | * | trans | -55.9 | 0 | 174.7 | -71.6 | -166.9 | -176.1 | -170.6 | 2.5 | 112.1 |
Retrieved 152 of 152 residues in 310.7 ms
(Link to these results)