| 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 | 46.3 | Very low | 57.7 | Low | 229 Ų | 229 | 125.1 Ų | 125.1 | 100% | 1.128 | 67% | 0.67 | S | S | * | * | 0 | 0.4 | 0 | -79.9 | 178.5 | 178 | 0 | 0 | 114.8 | |||||
| 2 | S | 57.3 | Low | 60.4 | Low | 92 Ų | 92 | 120.9 Ų | 120.9 | 64% | 0.643 | 66% | 0.658 | S | S | * | * | trans | -83.8 | -28.3 | -171.4 | -168 | 0 | 0 | 0 | 0 | 115.8 | K4 | S2-K4 PolarHBondContact O-N 3Š| ||
| 3 | I | 51.8 | Low | 62.9 | Low | 152 Ų | 152 | 122.4 Ų | 122.4 | 78% | 0.779 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.2 | -29.5 | -172 | -58.2 | 175.2 | 0 | 0 | 0 | 113 | ||
| 4 | K | 49.7 | Very low | 65.3 | Low | 185 Ų | 185 | 115.4 Ų | 115.4 | 80% | 0.804 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.8 | -21.8 | -177.1 | -70.8 | -170.1 | 177.5 | -174.6 | 0 | 114 | S2 | S2-K4 PolarHBondContact O-N 3Å |
| 5 | L | 52.1 | Low | 67.3 | Low | 102 Ų | 102 | 114.1 Ų | 114.1 | 53% | 0.534 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -75.3 | -36.2 | 176.9 | -107.8 | 82.6 | 0 | 0 | 0 | 111.8 | A7 L8 F9 | L5-A7 VanDerWaalsContact C-N 3.28Å; L5-A7 PolarHBondContact O-N 3.33Å; L5-L8 PolarHBondContact O-N 3.2Å; L5-F9 HydrophobicContact CB-CE2 4.24Å; L5-F9 HydrophobicContact CD2-CE2 3.92Å; L5-F9 HydrophobicContact CG-CE2 4.11Å; L5-F9 WeakPolarHBondContact O-CD2 3.42Å |
| 6 | N | 51.2 | Low | 69.1 | Low | 112 Ų | 112 | 109.3 Ų | 109.3 | 60% | 0.599 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.7 | -31.5 | -176.2 | -70.8 | -13.4 | 0 | 0 | 0 | 113.7 | L8 F9 S10 | N6-L8 VanDerWaalsContact C-N 3.27Å; N6-L8 PolarHBondContact O-N 3.44Å; N6-F9 PolarHBondContact O-N 3.02Å; N6-S10 PolarHBondContact O-N 3.27Å |
| 7 | A | 54.7 | Low | 70.7 | Confident | 80 Ų | 80 | 104.8 Ų | 104.8 | 66% | 0.661 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -24.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L5 | L5-A7 VanDerWaalsContact C-N 3.28Å; L5-A7 PolarHBondContact O-N 3.33Å |
| 8 | L | 56.7 | Low | 72.1 | Confident | 145 Ų | 145 | 109.6 Ų | 109.6 | 76% | 0.759 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -13.7 | 177.3 | -65.3 | 174.1 | 0 | 0 | 0 | 113 | L5 N6 | L5-L8 PolarHBondContact O-N 3.2Å; N6-L8 VanDerWaalsContact C-N 3.27Å; N6-L8 PolarHBondContact O-N 3.44Å |
| 9 | F | 59.2 | Low | 73.4 | Confident | 158 Ų | 158 | 109.6 Ų | 109.6 | 69% | 0.693 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -108.9 | 5 | 177.2 | -62.6 | -70.9 | 0 | 0 | 0 | 113.3 | L5 N6 D11 | L5-F9 HydrophobicContact CB-CE2 4.24Å; L5-F9 HydrophobicContact CD2-CE2 3.92Å; L5-F9 HydrophobicContact CG-CE2 4.11Å; L5-F9 WeakPolarHBondContact O-CD2 3.42Å; N6-F9 PolarHBondContact O-N 3.02Å; F9-D11 PolarHBondContact O-N 2.67Å |
| 10 | S | 69.3 | Low | 74.6 | Confident | 75 Ų | 75 | 105.8 Ų | 105.8 | 52% | 0.524 | 55% | 0.55 | S | S | . | * | trans | -82.9 | 108.4 | 179.3 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | N6 S12 | N6-S10 PolarHBondContact O-N 3.27Å; S10-S12 PolarHBondContact O-N 3.46Å | ||
| 11 | D | 86.1 | Confident | 75.6 | Confident | 46 Ų | 46 | 101.2 Ų | 101.2 | 25% | 0.246 | 53% | 0.527 | C | S | . | . | trans | -88.1 | 80.3 | 170.9 | -176.7 | 9.7 | 0 | 0 | 0 | 109.9 | F9 Y13 V14 R98 | F9-D11 PolarHBondContact O-N 2.67Å; D11-Y13 PolarHBondContact O-N 3.43Å; D11-Y13 VanDerWaalsContact O-N 3.12Å; D11-V14 HydrophobicContact CB-CG2 3.95Å; D11-V14 VanDerWaalsContact O-CG2 3.26Å; D11-V14 WeakPolarHBondContact O-CG2 3.35Å; D11-V14 PolarHBondContact O-N 3.02Å; D11-V14 WeakPolarHBondContact OD2-CG1 3.37Å; D11-V14 WeakPolarHBondContact OD2-CG2 3.13Å; D11-R98 IonicContact OD1-NE 3.93Å; D11-R98 IonicContact OD2-CZ 3.45Å; D11-R98 IonicContact OD2-NE 2.67Å; D11-R98 PolarHBondContact OD2-NE 3.44Å; D11-R98 IonicContact OD2-NH2 2.98Å; D11-R98 PolarHBondContact OD2-NH2 2.66Å | ||
| 12 | S | 90.8 | Very high | 78 | Confident | 75 Ų | 75 | 98.3 Ų | 98.3 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -63.5 | -18.4 | -175.7 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | S10 V14 D15 | S10-S12 PolarHBondContact O-N 3.46Å; S12-V14 VanDerWaalsContact C-N 3.27Å; S12-V14 PolarHBondContact O-N 3.33Å; S12-D15 WeakPolarHBondContact CA-OD2 3.47Å; S12-D15 PolarHBondContact O-N 2.94Å |
| 13 | Y | 92.4 | Very high | 79.9 | Confident | 140 Ų | 140 | 99.9 Ų | 99.9 | 55% | 0.549 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -70.2 | -26.1 | 179.6 | -70.3 | -87 | 0 | 0 | 0 | 112.3 | D11 M97 | D11-Y13 PolarHBondContact O-N 3.43Å; D11-Y13 VanDerWaalsContact O-N 3.12Å; Y13-M97 WeakPolarHBondContact O-CE 3.45Å |
| 14 | V | 96.2 | Very high | 82 | Confident | 24 Ų | 24 | 94.5 Ų | 94.5 | 15% | 0.145 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -98.1 | 4.2 | 179.1 | -57 | 0 | 0 | 0 | 0 | 113.1 | D11 S12 E94 M97 R98 W114 | D11-V14 HydrophobicContact CB-CG2 3.95Å; D11-V14 VanDerWaalsContact O-CG2 3.26Å; D11-V14 WeakPolarHBondContact O-CG2 3.35Å; D11-V14 PolarHBondContact O-N 3.02Å; D11-V14 WeakPolarHBondContact OD2-CG1 3.37Å; D11-V14 WeakPolarHBondContact OD2-CG2 3.13Å; S12-V14 VanDerWaalsContact C-N 3.27Å; S12-V14 PolarHBondContact O-N 3.33Å; V14-E94 HydrophobicContact CB-CG 4.39Å; V14-E94 HydrophobicContact CG1-CB 3.85Å; V14-E94 HydrophobicContact CG1-CG 3.96Å; V14-M97 HydrophobicContact CG1-CB 4.25Å; V14-R98 HydrophobicContact CG1-CG 4.04Å; V14-W114 HydrophobicContact CB-CZ2 4.24Å; V14-W114 PolarHBondContact O-NE1 3.25Å |
| 15 | D | 95.8 | Very high | 84.2 | Confident | 96 Ų | 96 | 94.6 Ų | 94.6 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -64.8 | 146.2 | 177.8 | -78.9 | -25.2 | 0 | 0 | 0 | 112.1 | S12 S17 | S12-D15 WeakPolarHBondContact CA-OD2 3.47Å; S12-D15 PolarHBondContact O-N 2.94Å; D15-S17 PolarHBondContact O-N 2.86Å |
| 16 | V | 96.6 | Very high | 86.3 | Confident | 38 Ų | 38 | 91.5 Ų | 91.5 | 23% | 0.23 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 118.9 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | L35 K36 | V16-L35 HydrophobicContact CG1-CB 3.94Å; V16-L35 HydrophobicContact CG1-CD1 3.77Å; V16-L35 HydrophobicContact CG1-CG 4.43Å; V16-L35 HydrophobicContact CG2-CB 4.09Å; V16-K36 HydrophobicContact CG2-CG 3.97Å |
| 17 | S | 96.3 | Very high | 88.5 | Confident | 33 Ų | 33 | 90 Ų | 90 | 23% | 0.231 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 173.1 | 178 | 76.7 | 0 | 0 | 0 | 0 | 112.6 | D15 Y19 R20 D113 | D15-S17 PolarHBondContact O-N 2.86Å; S17-Y19 PolarHBondContact O-N 2.67Å; S17-Y19 PolarHBondContact OG-N 3.35Å; S17-R20 PolarHBondContact O-NH1 2.72Å; S17-D113 WeakPolarHBondContact CB-OD1 3.45Å; S17-D113 VanDerWaalsContact OG-CG 3.27Å; S17-D113 PolarHBondContact OG-OD1 3.42Å; S17-D113 PolarHBondContact OG-OD2 3.44Å |
| 18 | Q | 95.9 | Very high | 90.4 | Very high | 190 Ų | 190 | 94.5 Ų | 94.5 | 89% | 0.888 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -70.6 | -14.5 | 177.9 | -63.2 | -176.1 | 2.6 | 0 | 0 | 113.3 | R20 | Q18-R20 PolarHBondContact O-N 3.3Š|
| 19 | Y | 95.9 | Very high | 92.3 | Very high | 110 Ų | 110 | 96.2 Ų | 96.2 | 43% | 0.431 | 46% | 0.461 | S | S | . | . | trans | -63 | 136.5 | -178 | 179.5 | -94.3 | 0 | 0 | 0 | 111.3 | S17 | S17-Y19 PolarHBondContact O-N 2.67Å; S17-Y19 PolarHBondContact OG-N 3.35Å | ||
| 20 | R | 97.3 | Very high | 94.1 | Very high | 33 Ų | 33 | 93 Ų | 93 | 13% | 0.125 | 45% | 0.448 | C | S | . | . | trans | -136.8 | 132.6 | 173.1 | -66.9 | -65.8 | -179.5 | -81.7 | 1 | 108.9 | S17 Q18 Q22 E32 | S17-R20 PolarHBondContact O-NH1 2.72Å; Q18-R20 PolarHBondContact O-N 3.3Å; R20-Q22 PolarHBondContact O-N 3.4Å; R20-Q22 VanDerWaalsContact O-N 3.13Å; R20-E32 IonicContact NH2-OE2 2.65Å; R20-E32 PolarHBondContact NH2-OE2 3.47Å | ||
| 21 | D | 97.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 90 Ų | 90 | 6% | 0.059 | 43% | 0.426 | C | S | . | . | trans | -68.4 | 108.5 | 173.1 | -176 | -3.9 | 0 | 0 | 0 | 109.7 | H23 F24 Q31 R122 R126 | D21-H23 PolarHBondContact O-N 3.31Å; D21-H23 PolarHBondContact OD1-N 3.49Å; D21-F24 HydrophobicContact CB-CB 4.35Å; D21-F24 WeakPolarHBondContact O-CB 3.1Å; D21-F24 PolarHBondContact O-N 3.02Å; D21-F24 VanDerWaalsContact O-N 3.09Å; D21-Q31 VanDerWaalsContact CB-NE2 3.35Å; D21-Q31 PolarHBondContact O-NE2 3.43Å; D21-R122 IonicContact OD2-CZ 2.79Å; D21-R122 IonicContact OD2-NE 2.78Å; D21-R122 PolarHBondContact OD2-NE 2.96Å; D21-R122 IonicContact OD2-NH2 3.86Å; D21-R122 PolarHBondContact OD2-NH2 3.31Å; D21-R126 IonicContact OD1-CZ 3.21Å; D21-R126 VanDerWaalsContact OD1-CZ 3.28Å; D21-R126 IonicContact OD1-NH1 3.26Å; D21-R126 PolarHBondContact OD1-NH1 3.39Å; D21-R126 IonicContact OD1-NH2 2.66Å; D21-R126 PolarHBondContact OD1-NH2 2.84Å; D21-R126 IonicContact OD2-CZ 2.87Å; D21-R126 IonicContact OD2-NH1 2.87Å; D21-R126 IonicContact OD2-NH2 3.36Å; D21-R126 PolarHBondContact OD2-NH2 2.92Å | ||
| 22 | Q | 96.5 | Very high | 96 | Very high | 167 Ų | 167 | 90.7 Ų | 90.7 | 78% | 0.78 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.6 | 178.3 | -61.5 | -61.3 | -22.9 | 0 | 0 | 114.2 | R20 | R20-Q22 PolarHBondContact O-N 3.4Å; R20-Q22 VanDerWaalsContact O-N 3.13Å |
| 23 | H | 96.3 | Very high | 96.4 | Very high | 126 Ų | 126 | 92.6 Ų | 92.6 | 58% | 0.583 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 7.9 | 177.5 | -63.6 | 71.7 | 0 | 0 | 0 | 112.5 | D21 K25 R126 | D21-H23 PolarHBondContact O-N 3.31Å; D21-H23 PolarHBondContact OD1-N 3.49Å; H23-K25 PolarHBondContact O-N 3.27Å; H23-R126 PolarHBondContact ND1-NH1 3.41Å |
| 24 | F | 97.1 | Very high | 96.6 | Very high | 38 Ų | 38 | 89.3 Ų | 89.3 | 17% | 0.167 | 42% | 0.418 | C | S | . | . | trans | -62.1 | 131.9 | 176.7 | -178.2 | -104.4 | 0 | 0 | 0 | 111.1 | D21 G26 E30 Q31 L34 A116 | D21-F24 HydrophobicContact CB-CB 4.35Å; D21-F24 WeakPolarHBondContact O-CB 3.1Å; D21-F24 PolarHBondContact O-N 3.02Å; D21-F24 VanDerWaalsContact O-N 3.09Å; F24-G26 VanDerWaalsContact C-N 3.3Å; F24-G26 PolarHBondContact O-N 2.96Å; F24-G26 VanDerWaalsContact O-N 3.14Å; F24-E30 HydrophobicContact CE1-CB 4.24Å; F24-Q31 HydrophobicContact CD1-CB 3.7Å; F24-Q31 HydrophobicContact CD1-CG 4.09Å; F24-Q31 HydrophobicContact CD2-CG 4.35Å; F24-Q31 HydrophobicContact CE1-CB 3.69Å; F24-Q31 HydrophobicContact CE1-CG 4.35Å; F24-Q31 HydrophobicContact CG-CB 4.23Å; F24-Q31 HydrophobicContact CG-CG 4.09Å; F24-Q31 HydrophobicContact CZ-CB 4.22Å; F24-L34 HydrophobicContact CE2-CD1 3.62Å; F24-L34 HydrophobicContact CZ-CD1 3.52Å; F24-A116 HydrophobicContact CD2-CB 4.48Å; F24-A116 HydrophobicContact CE2-CB 4.27Å | ||
| 25 | K | 94.8 | Very high | 96.7 | Very high | 188 Ų | 188 | 88.6 Ų | 88.6 | 82% | 0.817 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -88.6 | 65.9 | -179.3 | -60.8 | -63.3 | -175.7 | -179.2 | 0 | 110.6 | H23 | H23-K25 PolarHBondContact O-N 3.27Š|
| 26 | G | 95.6 | Very high | 96.8 | Very high | 36 Ų | 36 | 89.7 Ų | 89.7 | 37% | 0.371 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 178 | 178.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F24 E30 | F24-G26 VanDerWaalsContact C-N 3.3Å; F24-G26 PolarHBondContact O-N 2.96Å; F24-G26 VanDerWaalsContact O-N 3.14Å; G26-E30 WeakPolarHBondContact CA-OE2 3.39Å |
| 27 | N | 97.2 | Very high | 96.9 | Very high | 81 Ų | 81 | 94.3 Ų | 94.3 | 43% | 0.433 | 43% | 0.433 | S | S | . | . | trans | -84 | 169.1 | 178.8 | 68.6 | 53.7 | 0 | 0 | 0 | 112 | Y29 E30 Q31 | N27-Y29 VanDerWaalsContact C-N 3.27Å; N27-Y29 PolarHBondContact O-N 3.16Å; N27-Y29 WeakPolarHBondContact OD1-CA 3.16Å; N27-Y29 WeakPolarHBondContact OD1-CB 3.49Å; N27-Y29 PolarHBondContact OD1-N 3.12Å; N27-E30 PolarHBondContact N-OE2 3.48Å; N27-E30 VanDerWaalsContact ND2-CD 3.31Å; N27-E30 PolarHBondContact ND2-OE1 3.2Å; N27-E30 PolarHBondContact O-N 3.42Å; N27-E30 WeakPolarHBondContact OD1-CG 3.18Å; N27-E30 PolarHBondContact OD1-N 3.39Å; N27-Q31 PolarHBondContact O-N 2.87Å | ||
| 28 | R | 94.8 | Very high | 96.9 | Very high | 175 Ų | 175 | 93.2 Ų | 93.2 | 66% | 0.66 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.6 | -34.5 | -177.8 | -174.7 | 174.3 | 178 | 168.2 | 0.9 | 113 | E32 | R28-E32 WeakPolarHBondContact O-CB 3.4Å; R28-E32 PolarHBondContact O-N 3.47Å |
| 29 | Y | 96.9 | Very high | 97.1 | Very high | 181 Ų | 181 | 86.1 Ų | 86.1 | 71% | 0.71 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.7 | -44.2 | 178.4 | 172.9 | -98 | 0 | 0 | 0 | 111.2 | N27 E32 K33 | N27-Y29 VanDerWaalsContact C-N 3.27Å; N27-Y29 PolarHBondContact O-N 3.16Å; N27-Y29 WeakPolarHBondContact OD1-CA 3.16Å; N27-Y29 WeakPolarHBondContact OD1-CB 3.49Å; N27-Y29 PolarHBondContact OD1-N 3.12Å; Y29-E32 PolarHBondContact O-N 3.26Å; Y29-K33 WeakPolarHBondContact O-CB 3.34Å; Y29-K33 PolarHBondContact O-N 3.24Å |
| 30 | E | 97.7 | Very high | 97.2 | Very high | 91 Ų | 91 | 81 Ų | 81 | 43% | 0.425 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 174.6 | -70.8 | 168.4 | 166.2 | 0 | 0 | 111.7 | F24 G26 N27 E32 K33 L34 | F24-E30 HydrophobicContact CE1-CB 4.24Å; G26-E30 WeakPolarHBondContact CA-OE2 3.39Å; N27-E30 PolarHBondContact N-OE2 3.48Å; N27-E30 VanDerWaalsContact ND2-CD 3.31Å; N27-E30 PolarHBondContact ND2-OE1 3.2Å; N27-E30 PolarHBondContact O-N 3.42Å; N27-E30 WeakPolarHBondContact OD1-CG 3.18Å; N27-E30 PolarHBondContact OD1-N 3.39Å; E30-E32 VanDerWaalsContact C-N 3.34Å; E30-E32 PolarHBondContact O-N 2.82Å; E30-K33 WeakPolarHBondContact O-CB 3.34Å; E30-K33 PolarHBondContact O-N 2.88Å; E30-L34 WeakPolarHBondContact O-CG 3.33Å; E30-L34 PolarHBondContact O-N 3.15Å |
| 31 | Q | 98 | Very high | 97.3 | Very high | 12 Ų | 12 | 79.5 Ų | 79.5 | 6% | 0.056 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 177 | -170.2 | 173.9 | 30.6 | 0 | 0 | 111.5 | D21 F24 N27 K33 L34 L35 A116 | D21-Q31 VanDerWaalsContact CB-NE2 3.35Å; D21-Q31 PolarHBondContact O-NE2 3.43Å; F24-Q31 HydrophobicContact CD1-CB 3.7Å; F24-Q31 HydrophobicContact CD1-CG 4.09Å; F24-Q31 HydrophobicContact CD2-CG 4.35Å; F24-Q31 HydrophobicContact CE1-CB 3.69Å; F24-Q31 HydrophobicContact CE1-CG 4.35Å; F24-Q31 HydrophobicContact CG-CB 4.23Å; F24-Q31 HydrophobicContact CG-CG 4.09Å; F24-Q31 HydrophobicContact CZ-CB 4.22Å; N27-Q31 PolarHBondContact O-N 2.87Å; Q31-K33 VanDerWaalsContact C-N 3.34Å; Q31-K33 PolarHBondContact O-N 2.87Å; Q31-L34 PolarHBondContact O-N 3.38Å; Q31-L35 HydrophobicContact CG-CD1 4.14Å; Q31-L35 VanDerWaalsContact O-CG 3.25Å; Q31-L35 WeakPolarHBondContact O-CG 3.3Å; Q31-L35 PolarHBondContact O-N 3.2Å; Q31-A116 HydrophobicContact CG-CB 4.32Å |
| 32 | E | 97.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 81 Ų | 81 | 28% | 0.276 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 178.3 | -174.7 | 167.4 | 147 | 0 | 0 | 112.4 | R20 R28 Y29 E30 L34 L35 K36 | R20-E32 IonicContact NH2-OE2 2.65Å; R20-E32 PolarHBondContact NH2-OE2 3.47Å; R28-E32 WeakPolarHBondContact O-CB 3.4Å; R28-E32 PolarHBondContact O-N 3.47Å; Y29-E32 PolarHBondContact O-N 3.26Å; E30-E32 VanDerWaalsContact C-N 3.34Å; E30-E32 PolarHBondContact O-N 2.82Å; E32-L34 VanDerWaalsContact C-N 3.33Å; E32-L34 PolarHBondContact O-N 2.94Å; E32-L35 PolarHBondContact O-N 2.86Å; E32-K36 HydrophobicContact CG-CD 4.38Å; E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 3.5Å; E32-K36 WeakPolarHBondContact OE1-CE 3.49Å; E32-K36 IonicContact OE1-NZ 3.77Å; E32-K36 PolarHBondContact OE1-NZ 2.79Å |
| 33 | K | 97.9 | Very high | 97.5 | Very high | 116 Ų | 116 | 73 Ų | 73 | 50% | 0.504 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.5 | -46.2 | 172.8 | -176.3 | -177.1 | 175.9 | -175.3 | 0 | 111.1 | Y29 E30 Q31 K36 Q37 | Y29-K33 WeakPolarHBondContact O-CB 3.34Å; Y29-K33 PolarHBondContact O-N 3.24Å; E30-K33 WeakPolarHBondContact O-CB 3.34Å; E30-K33 PolarHBondContact O-N 2.88Å; Q31-K33 VanDerWaalsContact C-N 3.34Å; Q31-K33 PolarHBondContact O-N 2.87Å; K33-K36 PolarHBondContact O-N 3.16Å; K33-Q37 PolarHBondContact O-N 3.15Å |
| 34 | L | 98.3 | Very high | 97.6 | Very high | 71 Ų | 71 | 67.1 Ų | 67.1 | 37% | 0.372 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 177 | -68.3 | 176.6 | 0 | 0 | 0 | 111.9 | F24 E30 Q31 E32 K36 Q37 A38 A116 | F24-L34 HydrophobicContact CE2-CD1 3.62Å; F24-L34 HydrophobicContact CZ-CD1 3.52Å; E30-L34 WeakPolarHBondContact O-CG 3.33Å; E30-L34 PolarHBondContact O-N 3.15Å; Q31-L34 PolarHBondContact O-N 3.38Å; E32-L34 VanDerWaalsContact C-N 3.33Å; E32-L34 PolarHBondContact O-N 2.94Å; L34-K36 VanDerWaalsContact C-N 3.3Å; L34-K36 PolarHBondContact O-N 2.92Å; L34-Q37 CarbonylContact O-C 3.59Å; L34-Q37 PolarHBondContact O-N 3.44Å; L34-A38 VanDerWaalsContact O-CB 3.32Å; L34-A38 WeakPolarHBondContact O-CB 3.43Å; L34-A38 PolarHBondContact O-N 2.8Å; L34-A116 HydrophobicContact CB-CB 3.94Å; L34-A116 HydrophobicContact CD1-CB 4.27Å |
| 35 | L | 98.3 | Very high | 97.6 | Very high | 8 Ų | 8 | 67.3 Ų | 67.3 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.9 | -38.5 | 178.7 | -69.6 | 168.3 | 0 | 0 | 0 | 112.6 | V16 Q31 E32 Q37 R90 W114 A116 | V16-L35 HydrophobicContact CG1-CB 3.94Å; V16-L35 HydrophobicContact CG1-CD1 3.77Å; V16-L35 HydrophobicContact CG1-CG 4.43Å; V16-L35 HydrophobicContact CG2-CB 4.09Å; Q31-L35 HydrophobicContact CG-CD1 4.14Å; Q31-L35 VanDerWaalsContact O-CG 3.25Å; Q31-L35 WeakPolarHBondContact O-CG 3.3Å; Q31-L35 PolarHBondContact O-N 3.2Å; E32-L35 PolarHBondContact O-N 2.86Å; L35-Q37 PolarHBondContact O-N 3.07Å; L35-R90 PolarHBondContact O-NH1 2.75Å; L35-W114 HydrophobicContact CB-CB 4.36Å; L35-W114 VanDerWaalsContact CD2-C 3.48Å; L35-W114 HydrophobicContact CD2-CB 3.85Å; L35-W114 WeakPolarHBondContact CD2-O 3.37Å; L35-A116 HydrophobicContact CD2-CB 4.2Å; L35-A116 HydrophobicContact CG-CB 4.37Å |
| 36 | K | 97.5 | Very high | 97.8 | Very high | 119 Ų | 119 | 58.7 Ų | 58.7 | 52% | 0.517 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.8 | -19.7 | 176.7 | -72.4 | 176.3 | -176.5 | 168.4 | 0 | 113.6 | V16 E32 K33 L34 | V16-K36 HydrophobicContact CG2-CG 3.97Å; E32-K36 HydrophobicContact CG-CD 4.38Å; E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 3.5Å; E32-K36 WeakPolarHBondContact OE1-CE 3.49Å; E32-K36 IonicContact OE1-NZ 3.77Å; E32-K36 PolarHBondContact OE1-NZ 2.79Å; K33-K36 PolarHBondContact O-N 3.16Å; L34-K36 VanDerWaalsContact C-N 3.3Å; L34-K36 PolarHBondContact O-N 2.92Å |
| 37 | Q | 97.5 | Very high | 98 | Very high | 136 Ų | 136 | 57.4 Ų | 57.4 | 64% | 0.636 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -113.1 | -1.6 | -177.4 | -62.5 | -177.5 | -40.5 | 0 | 0 | 113.1 | K33 L34 L35 | K33-Q37 PolarHBondContact O-N 3.15Å; L34-Q37 CarbonylContact O-C 3.59Å; L34-Q37 PolarHBondContact O-N 3.44Å; L35-Q37 PolarHBondContact O-N 3.07Å |
| 38 | A | 97.8 | Very high | 98 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | trans | -73 | 142.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L34 R90 W114 D115 | L34-A38 VanDerWaalsContact O-CB 3.32Å; L34-A38 WeakPolarHBondContact O-CB 3.43Å; L34-A38 PolarHBondContact O-N 2.8Å; A38-R90 WeakPolarHBondContact O-CD 3.16Å; A38-R90 PolarHBondContact O-NH1 2.88Å; A38-W114 HydrophobicContact CB-CE3 4.39Å; A38-W114 WeakPolarHBondContact O-CZ3 3.32Å; A38-D115 WeakPolarHBondContact CB-O 3.47Å | ||
| 39 | N | 98.6 | Very high | 98.2 | Very high | 41 Ų | 41 | 56 Ų | 56 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | trans | -104.5 | 13.5 | 166.1 | 59.7 | -11.5 | 0 | 0 | 0 | 111.9 | Y87 | N39-Y87 PolarHBondContact ND2-O 3.48Å; N39-Y87 PolarHBondContact O-N 3.36Å | ||
| 40 | T | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.6 | 178.8 | -50.3 | 0 | 0 | 0 | 0 | 110 | F84 V85 E86 D115 | T40-F84 HydrophobicContact CG2-CB 4.28Å; T40-V85 CarbonylContact C-O 3.58Å; T40-V85 WeakPolarHBondContact CA-O 3.25Å; T40-E86 HydrophobicContact CG2-CB 4.49Å; T40-D115 HydrophobicContact CG2-CB 4.07Å; T40-D115 PolarHBondContact O-N 2.71Å |
| 41 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135.7 | 174.4 | -57.7 | -176.2 | 0 | 0 | 0 | 110.2 | F59 F84 V85 Y87 A93 A96 M97 D113 W114 | L41-F59 HydrophobicContact CD1-CE1 4.4Å; L41-F84 CarbonylContact O-C 3.58Å; L41-F84 VanDerWaalsContact O-CA 3.24Å; L41-F84 WeakPolarHBondContact O-CA 3.46Å; L41-V85 PolarHBondContact N-O 2.73Å; L41-V85 PolarHBondContact O-N 3.42Å; L41-Y87 HydrophobicContact CD1-CE2 4.14Å; L41-A93 HydrophobicContact CD1-CB 4.48Å; L41-A93 HydrophobicContact CD2-CB 4.35Å; L41-A93 HydrophobicContact CG-CB 4.29Å; L41-A96 HydrophobicContact CD1-CB 3.74Å; L41-M97 HydrophobicContact CD1-CG 4.14Å; L41-M97 HydrophobicContact CD1-SD 4.32Å; L41-M97 HydrophobicContact CD2-CG 3.72Å; L41-M97 HydrophobicContact CD2-SD 3.72Å; L41-D113 CarbonylContact C-O 3.47Å; L41-D113 VanDerWaalsContact CA-O 3.29Å; L41-D113 WeakPolarHBondContact CA-O 3.46Å; L41-W114 HydrophobicContact CD2-CD2 4.02Å; L41-W114 HydrophobicContact CD2-CE3 3.38Å; L41-W114 HydrophobicContact CD2-CH2 4.14Å; L41-W114 HydrophobicContact CD2-CZ3 3.46Å; L41-W114 VanDerWaalsContact CD2-CZ3 3.46Å |
| 42 | Y | 98.9 | Very high | 98.3 | Very high | 42 Ų | 42 | 49.9 Ų | 49.9 | 17% | 0.165 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 131.8 | 157.7 | 167.9 | -90.5 | 0 | 0 | 0 | 108.4 | F82 F84 T112 D113 Q132 | Y42-F82 AromaticContact CD2-CD2 3.95Å; Y42-F82 HydrophobicContact CD2-CD2 3.95Å; Y42-F82 HydrophobicContact CE2-CB 3.69Å; Y42-F82 AromaticContact CE2-CD2 3.44Å; Y42-F82 HydrophobicContact CE2-CD2 3.44Å; Y42-F82 VanDerWaalsContact CE2-CD2 3.44Å; Y42-F82 HydrophobicContact CE2-CE2 4.24Å; Y42-F82 AromaticContact CE2-CG 3.77Å; Y42-F82 HydrophobicContact CE2-CG 3.77Å; Y42-F84 HydrophobicContact CD2-CE1 4.1Å; Y42-F84 HydrophobicContact CD2-CZ 4.47Å; Y42-T112 CarbonylContact O-C 3.48Å; Y42-T112 VanDerWaalsContact O-CA 3.24Å; Y42-T112 WeakPolarHBondContact O-CA 3.42Å; Y42-D113 HydrophobicContact CD1-CB 4.38Å; Y42-D113 PolarHBondContact N-O 3.26Å; Y42-D113 PolarHBondContact O-N 2.87Å; Y42-Q132 PolarHBondContact OH-NE2 3.3Å |
| 43 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 113.4 | 175.9 | -170.4 | 0 | 0 | 0 | 0 | 108.8 | L46 F59 F82 C83 V85 I110 T112 | V43-L46 HydrophobicContact CG1-CD1 4.46Å; V43-L46 HydrophobicContact CG1-CD2 3.91Å; V43-L46 HydrophobicContact CG1-CG 4.27Å; V43-F59 HydrophobicContact CB-CZ 4.18Å; V43-F59 HydrophobicContact CG1-CE2 4.1Å; V43-F59 HydrophobicContact CG1-CZ 3.69Å; V43-F59 HydrophobicContact CG2-CE1 3.66Å; V43-F59 HydrophobicContact CG2-CE2 4.15Å; V43-F59 HydrophobicContact CG2-CZ 3.36Å; V43-F82 CarbonylContact O-C 3.59Å; V43-F82 WeakPolarHBondContact O-CA 3.29Å; V43-F82 VanDerWaalsContact O-CB 3.29Å; V43-F82 WeakPolarHBondContact O-CB 3.37Å; V43-C83 PolarHBondContact N-O 3.48Å; V43-C83 PolarHBondContact O-N 2.9Å; V43-V85 HydrophobicContact CG2-CB 4.46Å; V43-V85 HydrophobicContact CG2-CG2 3.77Å; V43-I110 HydrophobicContact CG1-CB 4.41Å; V43-I110 HydrophobicContact CG1-CD1 4.3Å; V43-T112 HydrophobicContact CG1-CG2 4.45Å; V43-T112 HydrophobicContact CG2-CG2 4.28Å |
| 44 | G | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 170.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L46 R111 | G44-L46 VanDerWaalsContact C-N 3.28Å; G44-L46 PolarHBondContact O-N 2.94Å; G44-R111 PolarHBondContact N-O 3.36Å; G44-R111 PolarHBondContact O-N 2.98Å; G44-R111 VanDerWaalsContact O-N 3.1Å |
| 45 | N | 98.4 | Very high | 98.5 | Very high | 42 Ų | 42 | 47.3 Ų | 47.3 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 66.8 | 18.1 | 178.7 | -153.2 | 39.3 | 0 | 0 | 0 | 116.5 | R108 I109 R134 | N45-R108 WeakPolarHBondContact O-CD 3.47Å; N45-R108 PolarHBondContact O-NE 3.49Å; N45-R108 PolarHBondContact OD1-NH2 2.92Å; N45-I109 PolarHBondContact ND2-O 3.33Å; N45-R134 PolarHBondContact OD1-NH2 2.65Å |
| 46 | L | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | trans | -62.6 | 160.5 | 171.7 | -57.8 | 179.7 | 0 | 0 | 0 | 112.9 | V43 G44 T50 V55 G81 C83 L105 I110 R145 | V43-L46 HydrophobicContact CG1-CD1 4.46Å; V43-L46 HydrophobicContact CG1-CD2 3.91Å; V43-L46 HydrophobicContact CG1-CG 4.27Å; G44-L46 VanDerWaalsContact C-N 3.28Å; G44-L46 PolarHBondContact O-N 2.94Å; L46-T50 HydrophobicContact CD2-CG2 4.45Å; L46-V55 HydrophobicContact CD1-CG2 4.27Å; L46-G81 PolarHBondContact N-O 2.92Å; L46-C83 HydrophobicContact CD1-CB 4.15Å; L46-L105 HydrophobicContact CD2-CD2 3.89Å; L46-I110 HydrophobicContact CD2-CG2 3.68Å; L46-R145 PolarHBondContact O-NE 2.97Å; L46-R145 PolarHBondContact O-NH2 2.78Å | ||
| 47 | S | 98.6 | Very high | 98.5 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 6% | 0.063 | 25% | 0.248 | C | C | . | . | trans | -71.2 | 155.3 | 165.5 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | Y49 T50 | S47-Y49 PolarHBondContact O-N 3.29Å; S47-Y49 WeakPolarHBondContact OG-CD2 3.47Å; S47-Y49 PolarHBondContact OG-N 3.06Å; S47-Y49 VanDerWaalsContact OG-N 3.16Å; S47-T50 VanDerWaalsContact CB-OG1 3.25Å; S47-T50 WeakPolarHBondContact CB-OG1 3.3Å; S47-T50 PolarHBondContact N-OG1 2.95Å; S47-T50 VanDerWaalsContact N-OG1 3.12Å; S47-T50 PolarHBondContact O-N 3.38Å | ||
| 48 | F | 98.3 | Very high | 98.6 | Very high | 55 Ų | 55 | 48.2 Ų | 48.2 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -15.6 | 166.8 | -72.9 | 0.6 | 0 | 0 | 0 | 112.2 | C80 A144 R145 | F48-C80 HydrophobicContact CE1-CB 4.46Å; F48-C80 WeakPolarHBondContact CE1-O 3.38Å; F48-A144 WeakPolarHBondContact CB-O 3.35Å; F48-A144 PolarHBondContact N-O 3.16Å; F48-R145 HydrophobicContact CE1-CB 4.4Å; F48-R145 HydrophobicContact CE1-CG 4.48Å; F48-R145 HydrophobicContact CE2-CB 4.49Å; F48-R145 VanDerWaalsContact CE2-O 3.23Å; F48-R145 WeakPolarHBondContact CE2-O 3.42Å; F48-R145 HydrophobicContact CZ-CB 4.25Å |
| 49 | Y | 97.9 | Very high | 98.6 | Very high | 171 Ų | 171 | 47.8 Ų | 47.8 | 67% | 0.671 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -7.1 | 178 | -51.7 | -69.5 | 0 | 0 | 0 | 113.4 | S47 T51 | S47-Y49 PolarHBondContact O-N 3.29Å; S47-Y49 WeakPolarHBondContact OG-CD2 3.47Å; S47-Y49 PolarHBondContact OG-N 3.06Å; S47-Y49 VanDerWaalsContact OG-N 3.16Å; Y49-T51 PolarHBondContact O-N 2.94Å |
| 50 | T | 98.6 | Very high | 98.7 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | trans | -64.6 | 127.1 | 177.5 | -58.2 | 0 | 0 | 0 | 0 | 109.8 | L46 S47 Q54 V55 L105 D106 | L46-T50 HydrophobicContact CD2-CG2 4.45Å; S47-T50 VanDerWaalsContact CB-OG1 3.25Å; S47-T50 WeakPolarHBondContact CB-OG1 3.3Å; S47-T50 PolarHBondContact N-OG1 2.95Å; S47-T50 VanDerWaalsContact N-OG1 3.12Å; S47-T50 PolarHBondContact O-N 3.38Å; T50-Q54 HydrophobicContact CG2-CB 4.37Å; T50-V55 HydrophobicContact CG2-CG2 3.89Å; T50-L105 HydrophobicContact CG2-CD2 3.72Å; T50-L105 HydrophobicContact CG2-CG 4.03Å; T50-D106 VanDerWaalsContact CA-OD2 3.22Å; T50-D106 WeakPolarHBondContact CA-OD2 3.45Å; T50-D106 VanDerWaalsContact CB-OD2 3.25Å; T50-D106 WeakPolarHBondContact CB-OD2 3.3Å; T50-D106 PolarHBondContact OG1-OD2 3.36Å | ||
| 51 | T | 98.6 | Very high | 98.6 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | trans | -88.9 | 161.7 | -178.5 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | Y49 E53 Q54 V55 | Y49-T51 PolarHBondContact O-N 2.94Å; T51-E53 VanDerWaalsContact C-N 3.26Å; T51-E53 WeakPolarHBondContact CB-OE2 3.49Å; T51-E53 PolarHBondContact O-N 2.93Å; T51-Q54 PolarHBondContact O-N 3.2Å; T51-Q54 WeakPolarHBondContact OG1-CB 3.44Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.36Å; T51-Q54 PolarHBondContact OG1-N 3.21Å; T51-Q54 PolarHBondContact OG1-OE1 3.12Å; T51-V55 WeakPolarHBondContact O-CG2 3.47Å; T51-V55 PolarHBondContact O-N 3.4Å | ||
| 52 | E | 98.6 | Very high | 98.6 | Very high | 89 Ų | 89 | 55.5 Ų | 55.5 | 42% | 0.416 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.6 | -36.7 | 175.5 | -176.7 | 170.8 | 174.8 | 0 | 0 | 111.3 | Q54 V55 Y56 I68 I70 | E52-Q54 PolarHBondContact O-N 3.45Å; E52-V55 PolarHBondContact O-N 2.82Å; E52-Y56 WeakPolarHBondContact O-CB 3.43Å; E52-Y56 PolarHBondContact O-N 2.97Å; E52-I68 HydrophobicContact CG-CB 4.02Å; E52-I68 HydrophobicContact CG-CD1 4.19Å; E52-I68 HydrophobicContact CG-CG2 3.92Å; E52-I70 HydrophobicContact CB-CD1 3.96Å; E52-I70 HydrophobicContact CB-CG1 4.02Å; E52-I70 HydrophobicContact CG-CD1 4.28Å; E52-I70 HydrophobicContact CG-CG1 4.36Å |
| 53 | E | 98.7 | Very high | 98.6 | Very high | 134 Ų | 134 | 54.3 Ų | 54.3 | 63% | 0.626 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.8 | -43 | 178.6 | -63.7 | 73.9 | -163.9 | 0 | 0 | 111.6 | T51 Y56 E57 | T51-E53 VanDerWaalsContact C-N 3.26Å; T51-E53 WeakPolarHBondContact CB-OE2 3.49Å; T51-E53 PolarHBondContact O-N 2.93Å; E53-Y56 WeakPolarHBondContact O-CB 3.45Å; E53-Y56 PolarHBondContact O-N 2.77Å; E53-E57 PolarHBondContact O-N 3.43Å |
| 54 | Q | 98.8 | Very high | 98.6 | Very high | 58 Ų | 58 | 60 Ų | 60 | 27% | 0.271 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 175.7 | -73.4 | 171.1 | -60.7 | 0 | 0 | 112.2 | T50 T51 E52 Y56 L58 L105 D106 | T50-Q54 HydrophobicContact CG2-CB 4.37Å; T51-Q54 PolarHBondContact O-N 3.2Å; T51-Q54 WeakPolarHBondContact OG1-CB 3.44Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.36Å; T51-Q54 PolarHBondContact OG1-N 3.21Å; T51-Q54 PolarHBondContact OG1-OE1 3.12Å; E52-Q54 PolarHBondContact O-N 3.45Å; Q54-Y56 VanDerWaalsContact C-N 3.35Å; Q54-L58 PolarHBondContact O-N 3.46Å; Q54-L105 HydrophobicContact CB-CD1 4.26Å; Q54-D106 PolarHBondContact NE2-OD1 3.3Å |
| 55 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 172.8 | 176.4 | 0 | 0 | 0 | 0 | 109.7 | L46 T50 T51 E52 E57 L58 F59 I68 V85 L105 | L46-V55 HydrophobicContact CD1-CG2 4.27Å; T50-V55 HydrophobicContact CG2-CG2 3.89Å; T51-V55 WeakPolarHBondContact O-CG2 3.47Å; T51-V55 PolarHBondContact O-N 3.4Å; E52-V55 PolarHBondContact O-N 2.82Å; V55-E57 PolarHBondContact O-N 3.5Å; V55-L58 PolarHBondContact O-N 3.22Å; V55-F59 HydrophobicContact CG1-CD2 3.8Å; V55-F59 HydrophobicContact CG1-CE2 4.17Å; V55-F59 HydrophobicContact CG1-CG 4.44Å; V55-F59 WeakPolarHBondContact O-CB 3.37Å; V55-F59 VanDerWaalsContact O-CD2 3.29Å; V55-F59 WeakPolarHBondContact O-CD2 3.45Å; V55-F59 PolarHBondContact O-N 3.04Å; V55-I68 HydrophobicContact CB-CD1 4.24Å; V55-I68 HydrophobicContact CG1-CD1 3.93Å; V55-I68 HydrophobicContact CG1-CG2 4.27Å; V55-V85 HydrophobicContact CG1-CG2 3.79Å; V55-L105 HydrophobicContact CG2-CD2 4.08Å |
| 56 | Y | 98.8 | Very high | 98.6 | Very high | 124 Ų | 124 | 63.2 Ų | 63.2 | 49% | 0.486 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 178.8 | -174.7 | -93.6 | 0 | 0 | 0 | 111.8 | E52 E53 Q54 L58 F59 S60 V65 I68 | E52-Y56 WeakPolarHBondContact O-CB 3.43Å; E52-Y56 PolarHBondContact O-N 2.97Å; E53-Y56 WeakPolarHBondContact O-CB 3.45Å; E53-Y56 PolarHBondContact O-N 2.77Å; Q54-Y56 VanDerWaalsContact C-N 3.35Å; Y56-L58 PolarHBondContact O-N 3.35Å; Y56-F59 PolarHBondContact O-N 2.83Å; Y56-S60 WeakPolarHBondContact CE1-OG 3.26Å; Y56-S60 WeakPolarHBondContact O-CB 3.48Å; Y56-S60 PolarHBondContact O-N 3.3Å; Y56-S60 PolarHBondContact O-OG 2.71Å; Y56-V65 HydrophobicContact CD2-CB 4.09Å; Y56-V65 HydrophobicContact CD2-CG1 4.15Å; Y56-V65 HydrophobicContact CE2-CB 3.87Å; Y56-V65 HydrophobicContact CE2-CG1 4.28Å; Y56-I68 HydrophobicContact CD2-CD1 3.96Å; Y56-I68 HydrophobicContact CG-CD1 4.3Å |
| 57 | E | 98.7 | Very high | 98.6 | Very high | 132 Ų | 132 | 68.5 Ų | 68.5 | 62% | 0.617 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.7 | -45 | 180 | -172.3 | -173.8 | 164.2 | 0 | 0 | 112.1 | E53 V55 | E53-E57 PolarHBondContact O-N 3.43Å; V55-E57 PolarHBondContact O-N 3.5Å |
| 58 | L | 98.8 | Very high | 98.6 | Very high | 26 Ų | 26 | 68.7 Ų | 68.7 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.9 | -48.2 | 180 | 179.2 | 60.8 | 0 | 0 | 0 | 111.9 | Q54 V55 Y56 K61 V100 L105 I110 | Q54-L58 PolarHBondContact O-N 3.46Å; V55-L58 PolarHBondContact O-N 3.22Å; Y56-L58 PolarHBondContact O-N 3.35Å; L58-K61 HydrophobicContact CD1-CD 4.4Å; L58-K61 WeakPolarHBondContact O-CB 3.42Å; L58-K61 WeakPolarHBondContact O-CG 3.33Å; L58-K61 PolarHBondContact O-N 3.25Å; L58-V100 HydrophobicContact CD1-CG1 4.42Å; L58-V100 HydrophobicContact CD2-CG1 3.97Å; L58-V100 HydrophobicContact CG-CG1 3.92Å; L58-L105 HydrophobicContact CD2-CB 3.98Å; L58-L105 HydrophobicContact CD2-CD1 4.17Å; L58-L105 HydrophobicContact CD2-CD2 4.08Å; L58-L105 HydrophobicContact CD2-CG 4.31Å; L58-I110 HydrophobicContact CD2-CD1 3.74Å |
| 59 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -73.8 | -29.9 | -174.5 | -81.3 | -104.2 | 0 | 0 | 0 | 112 | L41 V43 V55 Y56 K61 S62 V65 V85 Y87 A96 V100 I110 T112 | L41-F59 HydrophobicContact CD1-CE1 4.4Å; V43-F59 HydrophobicContact CB-CZ 4.18Å; V43-F59 HydrophobicContact CG1-CE2 4.1Å; V43-F59 HydrophobicContact CG1-CZ 3.69Å; V43-F59 HydrophobicContact CG2-CE1 3.66Å; V43-F59 HydrophobicContact CG2-CE2 4.15Å; V43-F59 HydrophobicContact CG2-CZ 3.36Å; V55-F59 HydrophobicContact CG1-CD2 3.8Å; V55-F59 HydrophobicContact CG1-CE2 4.17Å; V55-F59 HydrophobicContact CG1-CG 4.44Å; V55-F59 WeakPolarHBondContact O-CB 3.37Å; V55-F59 VanDerWaalsContact O-CD2 3.29Å; V55-F59 WeakPolarHBondContact O-CD2 3.45Å; V55-F59 PolarHBondContact O-N 3.04Å; Y56-F59 PolarHBondContact O-N 2.83Å; F59-K61 PolarHBondContact O-N 2.93Å; F59-S62 PolarHBondContact O-N 2.87Å; F59-V65 HydrophobicContact CB-CG2 4.08Å; F59-V85 HydrophobicContact CB-CG1 4.1Å; F59-V85 HydrophobicContact CD1-CB 3.99Å; F59-V85 HydrophobicContact CD1-CG1 3.79Å; F59-V85 HydrophobicContact CD1-CG2 3.81Å; F59-V85 HydrophobicContact CD2-CG2 4.39Å; F59-V85 HydrophobicContact CE1-CB 4.37Å; F59-V85 HydrophobicContact CE1-CG2 4.07Å; F59-V85 HydrophobicContact CG-CG1 4.15Å; F59-V85 HydrophobicContact CG-CG2 4.01Å; F59-V85 HydrophobicContact CZ-CG2 4.47Å; F59-Y87 WeakPolarHBondContact CB-OH 3.43Å; F59-Y87 HydrophobicContact CD1-CE2 4.25Å; F59-Y87 VanDerWaalsContact CD1-OH 3.3Å; F59-Y87 WeakPolarHBondContact CD1-OH 3.24Å; F59-Y87 PolarHBondContact O-OH 2.82Å; F59-A96 HydrophobicContact CD1-CB 4.36Å; F59-A96 HydrophobicContact CE1-CB 4.5Å; F59-V100 HydrophobicContact CD2-CG1 4.39Å; F59-V100 HydrophobicContact CE1-CG1 4.23Å; F59-V100 HydrophobicContact CE2-CG1 4.01Å; F59-V100 HydrophobicContact CZ-CG1 3.9Å; F59-I110 HydrophobicContact CE2-CD1 3.88Å; F59-I110 HydrophobicContact CZ-CD1 4Å; F59-T112 HydrophobicContact CE1-CG2 3.95Å; F59-T112 HydrophobicContact CZ-CG2 3.85Å |
| 60 | S | 98.7 | Very high | 98.6 | Very high | 41 Ų | 41 | 60.3 Ų | 60.3 | 29% | 0.287 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.5 | 173.1 | -62.7 | 0 | 0 | 0 | 0 | 113.9 | Y56 S62 G63 | Y56-S60 WeakPolarHBondContact CE1-OG 3.26Å; Y56-S60 WeakPolarHBondContact O-CB 3.48Å; Y56-S60 PolarHBondContact O-N 3.3Å; Y56-S60 PolarHBondContact O-OG 2.71Å; S60-S62 PolarHBondContact O-N 2.89Å; S60-G63 WeakPolarHBondContact CA-O 3.46Å |
| 61 | K | 98.3 | Very high | 98.6 | Very high | 152 Ų | 152 | 59.8 Ų | 59.8 | 66% | 0.661 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -19.5 | 173 | -61.2 | -177.4 | -170.4 | -66.3 | 0 | 113.6 | L58 F59 | L58-K61 HydrophobicContact CD1-CD 4.4Å; L58-K61 WeakPolarHBondContact O-CB 3.42Å; L58-K61 WeakPolarHBondContact O-CG 3.33Å; L58-K61 PolarHBondContact O-N 3.25Å; F59-K61 PolarHBondContact O-N 2.93Å |
| 62 | S | 98.4 | Very high | 98.7 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -100.3 | -11.4 | -178.3 | -65.1 | 0 | 0 | 0 | 0 | 113.8 | F59 S60 D92 A96 V100 | F59-S62 PolarHBondContact O-N 2.87Å; S60-S62 PolarHBondContact O-N 2.89Å; S62-D92 WeakPolarHBondContact O-CA 3.35Å; S62-A96 WeakPolarHBondContact OG-CA 3.32Å; S62-A96 PolarHBondContact OG-N 3.37Å; S62-V100 WeakPolarHBondContact OG-CG2 3.28Å |
| 63 | G | 98.4 | Very high | 98.7 | Very high | 18 Ų | 18 | 55.7 Ų | 55.7 | 19% | 0.186 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 148.4 | -170.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S60 V65 | S60-G63 WeakPolarHBondContact CA-O 3.46Å; G63-V65 PolarHBondContact O-N 3.38Å |
| 64 | D | 98.6 | Very high | 98.6 | Very high | 119 Ų | 119 | 55.4 Ų | 55.4 | 64% | 0.636 | 26% | 0.263 | S | S | * | . | trans | -76 | 113.7 | -172.3 | -66.5 | -37.1 | 0 | 0 | 0 | 111.9 | K66 Y87 Y88 | D64-K66 PolarHBondContact O-N 3.05Å; D64-Y87 WeakPolarHBondContact O-CD1 3.14Å; D64-Y88 HydrophobicContact CB-CD2 3.78Å; D64-Y88 HydrophobicContact CB-CE2 4.42Å; D64-Y88 WeakPolarHBondContact O-CD2 3.41Å; D64-Y88 PolarHBondContact O-N 3.32Å; D64-Y88 VanDerWaalsContact O-N 3.16Å | ||
| 65 | V | 98.8 | Very high | 98.5 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 119.9 | 175.9 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | Y56 F59 G63 I68 V85 Y87 | Y56-V65 HydrophobicContact CD2-CB 4.09Å; Y56-V65 HydrophobicContact CD2-CG1 4.15Å; Y56-V65 HydrophobicContact CE2-CB 3.87Å; Y56-V65 HydrophobicContact CE2-CG1 4.28Å; F59-V65 HydrophobicContact CB-CG2 4.08Å; G63-V65 PolarHBondContact O-N 3.38Å; V65-I68 HydrophobicContact CG1-CD1 4.21Å; V65-I68 HydrophobicContact CG1-CG1 3.74Å; V65-V85 HydrophobicContact CG1-CG1 4.02Å; V65-V85 HydrophobicContact CG2-CG1 4.17Å; V65-Y87 HydrophobicContact CG2-CD1 4.28Å; V65-Y87 HydrophobicContact CG2-CE1 3.81Å |
| 66 | K | 98.6 | Very high | 98.5 | Very high | 100 Ų | 100 | 64.8 Ų | 64.8 | 44% | 0.435 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -42.1 | 177.1 | 177 | 178.5 | 170.1 | -161.8 | 0 | 111.9 | D64 E86 Y88 | D64-K66 PolarHBondContact O-N 3.05Å; K66-E86 WeakPolarHBondContact CA-O 3.43Å; K66-E86 HydrophobicContact CB-CG 4.5Å; K66-E86 WeakPolarHBondContact CB-O 3.24Å; K66-E86 HydrophobicContact CD-CG 4.24Å; K66-E86 WeakPolarHBondContact CD-OE1 3.16Å; K66-E86 WeakPolarHBondContact CE-OE1 3.1Å; K66-E86 PolarHBondContact N-O 3.41Å; K66-E86 IonicContact NZ-OE1 3.12Å; K66-E86 PolarHBondContact NZ-OE1 2.91Å; K66-Y88 VanDerWaalsContact CA-CE2 3.5Å; K66-Y88 HydrophobicContact CB-CD1 4.1Å; K66-Y88 HydrophobicContact CB-CD2 3.82Å; K66-Y88 HydrophobicContact CB-CE1 4.03Å; K66-Y88 HydrophobicContact CB-CE2 3.75Å; K66-Y88 HydrophobicContact CB-CG 4Å; K66-Y88 HydrophobicContact CD-CD1 4.03Å; K66-Y88 HydrophobicContact CD-CE1 4Å; K66-Y88 HydrophobicContact CG-CD1 4.13Å; K66-Y88 HydrophobicContact CG-CE1 3.76Å; K66-Y88 HydrophobicContact CG-CE2 4.27Å |
| 67 | R | 98.3 | Very high | 98.4 | Very high | 117 Ų | 117 | 63.7 Ų | 63.7 | 44% | 0.442 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 144.4 | -177.6 | -179.5 | 177.6 | 171 | -163.4 | -3.7 | 111.4 | I69 E86 | R67-I69 HydrophobicContact CG-CD1 3.88Å; R67-I69 HydrophobicContact CG-CG1 4.26Å; R67-E86 HydrophobicContact CB-CB 4.41Å; R67-E86 PolarHBondContact N-O 3.04Å; R67-E86 VanDerWaalsContact N-O 3.15Å; R67-E86 PolarHBondContact O-N 3.04Å |
| 68 | I | 98.8 | Very high | 98.4 | Very high | 13 Ų | 13 | 61.1 Ų | 61.1 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 143.1 | 166.2 | -58.9 | 172.6 | 0 | 0 | 0 | 108.9 | E52 V55 Y56 V65 I70 C83 F84 V85 | E52-I68 HydrophobicContact CG-CB 4.02Å; E52-I68 HydrophobicContact CG-CD1 4.19Å; E52-I68 HydrophobicContact CG-CG2 3.92Å; V55-I68 HydrophobicContact CB-CD1 4.24Å; V55-I68 HydrophobicContact CG1-CD1 3.93Å; V55-I68 HydrophobicContact CG1-CG2 4.27Å; Y56-I68 HydrophobicContact CD2-CD1 3.96Å; Y56-I68 HydrophobicContact CG-CD1 4.3Å; V65-I68 HydrophobicContact CG1-CD1 4.21Å; V65-I68 HydrophobicContact CG1-CG1 3.74Å; I68-I70 HydrophobicContact CG2-CD1 3.87Å; I68-C83 HydrophobicContact CG2-CB 4.45Å; I68-F84 CarbonylContact C-O 3.5Å; I68-F84 WeakPolarHBondContact CA-O 3.36Å; I68-V85 HydrophobicContact CG1-CG2 4.45Å |
| 69 | I | 98.8 | Very high | 98.4 | Very high | 13 Ų | 13 | 61.2 Ų | 61.2 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 106.5 | 171.4 | -53.7 | 92.1 | 0 | 0 | 0 | 108.7 | R67 G71 C83 F84 F118 Q123 | R67-I69 HydrophobicContact CG-CD1 3.88Å; R67-I69 HydrophobicContact CG-CG1 4.26Å; I69-G71 PolarHBondContact O-N 3.03Å; I69-C83 CarbonylContact O-C 3.47Å; I69-C83 WeakPolarHBondContact O-CA 3.47Å; I69-C83 VanDerWaalsContact O-CB 3.26Å; I69-C83 WeakPolarHBondContact O-CB 3.25Å; I69-F84 HydrophobicContact CB-CB 4.26Å; I69-F84 HydrophobicContact CB-CD2 4.23Å; I69-F84 HydrophobicContact CD1-CB 4.03Å; I69-F84 HydrophobicContact CG2-CD2 4.5Å; I69-F84 PolarHBondContact N-O 3.34Å; I69-F84 PolarHBondContact O-N 2.94Å; I69-F118 HydrophobicContact CB-CD2 4.32Å; I69-F118 HydrophobicContact CB-CE2 4.22Å; I69-F118 HydrophobicContact CD1-CB 4.27Å; I69-F118 HydrophobicContact CD1-CD2 4.16Å; I69-F118 HydrophobicContact CD1-CG 4.04Å; I69-F118 HydrophobicContact CG1-CD1 4.46Å; I69-F118 HydrophobicContact CG1-CD2 4.1Å; I69-F118 HydrophobicContact CG1-CE2 4.21Å; I69-F118 HydrophobicContact CG1-CG 4.24Å; I69-F118 HydrophobicContact CG1-CZ 4.44Å; I69-F118 HydrophobicContact CG2-CD2 4.24Å; I69-F118 HydrophobicContact CG2-CE2 3.64Å; I69-F118 HydrophobicContact CG2-CZ 3.95Å; I69-Q123 HydrophobicContact CG2-CB 3.74Å |
| 70 | I | 98.8 | Very high | 98.3 | Very high | 36 Ų | 36 | 61.3 Ų | 61.3 | 19% | 0.185 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 131.5 | 176.4 | -56.7 | -57.8 | 0 | 0 | 0 | 110.4 | E52 I68 L72 A79 C83 | E52-I70 HydrophobicContact CB-CD1 3.96Å; E52-I70 HydrophobicContact CB-CG1 4.02Å; E52-I70 HydrophobicContact CG-CD1 4.28Å; E52-I70 HydrophobicContact CG-CG1 4.36Å; I68-I70 HydrophobicContact CG2-CD1 3.87Å; I70-L72 HydrophobicContact CG2-CD2 4.07Å; I70-A79 HydrophobicContact CG2-CB 4.02Å; I70-C83 HydrophobicContact CD1-CB 3.96Å |
| 71 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 122.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I69 A79 C80 F82 Q123 | I69-G71 PolarHBondContact O-N 3.03Å; G71-A79 WeakPolarHBondContact O-CA 3.37Å; G71-C80 PolarHBondContact O-N 3.37Å; G71-F82 WeakPolarHBondContact CA-O 3.47Å; G71-F82 PolarHBondContact N-O 2.81Å; G71-Q123 CarbonylContact C-O 3.32Å; G71-Q123 VanDerWaalsContact CA-O 3.29Å; G71-Q123 WeakPolarHBondContact CA-O 3.5Å |
| 72 | L | 98.8 | Very high | 98.3 | Very high | 45 Ų | 45 | 52.8 Ų | 52.8 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 147.5 | -173.5 | -57.9 | 178.7 | 0 | 0 | 0 | 111.7 | I70 K74 T78 C80 Q123 Y124 G125 | I70-L72 HydrophobicContact CG2-CD2 4.07Å; L72-K74 PolarHBondContact O-N 2.78Å; L72-T78 CarbonylContact C-O 3.52Å; L72-T78 VanDerWaalsContact CA-O 3.28Å; L72-T78 WeakPolarHBondContact CA-O 2.89Å; L72-C80 PolarHBondContact O-SG 2.86Å; L72-C80 VanDerWaalsContact O-SG 3.39Å; L72-Q123 PolarHBondContact N-O 3.13Å; L72-Y124 HydrophobicContact CB-CD1 4.13Å; L72-Y124 HydrophobicContact CB-CE1 4.29Å; L72-Y124 HydrophobicContact CD1-CE1 4.42Å; L72-Y124 CarbonylContact O-C 3.52Å; L72-Y124 WeakPolarHBondContact O-CA 3.26Å; L72-G125 PolarHBondContact O-N 2.91Å |
| 73 | D | 98.5 | Very high | 98.4 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 8% | 0.08 | 26% | 0.262 | C | S | . | . | trans | -60 | 129.3 | 162.8 | -175.7 | -66.8 | 0 | 0 | 0 | 109.3 | V75 K76 K77 T78 C80 G130 G131 | D73-V75 PolarHBondContact O-N 3.32Å; D73-V75 WeakPolarHBondContact OD1-CA 3.18Å; D73-V75 WeakPolarHBondContact OD1-CB 3.49Å; D73-V75 PolarHBondContact OD1-N 3.42Å; D73-K76 HydrophobicContact CB-CB 4.15Å; D73-K76 PolarHBondContact OD1-N 2.59Å; D73-K77 VanDerWaalsContact O-CA 3.29Å; D73-K77 WeakPolarHBondContact O-CA 3.16Å; D73-K77 PolarHBondContact O-N 3.1Å; D73-T78 PolarHBondContact N-O 2.91Å; D73-C80 HydrophobicContact CB-CB 4.36Å; D73-G130 WeakPolarHBondContact CA-O 3.39Å; D73-G131 PolarHBondContact OD2-N 3.12Å | ||
| 74 | K | 98.1 | Very high | 98.4 | Very high | 129 Ų | 129 | 51.5 Ų | 51.5 | 56% | 0.561 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -31.8 | -175.8 | -169.7 | 177.3 | 177 | -177.6 | 0 | 113.1 | L72 K77 Y124 G130 | L72-K74 PolarHBondContact O-N 2.78Å; K74-K77 VanDerWaalsContact O-CE 3.3Å; K74-K77 WeakPolarHBondContact O-CE 3.46Å; K74-K77 PolarHBondContact O-NZ 3.16Å; K74-Y124 HydrophobicContact CB-CG 4.46Å; K74-Y124 HydrophobicContact CG-CG 4.29Å; K74-G130 PolarHBondContact N-O 2.65Å |
| 75 | V | 97.1 | Very high | 98.4 | Very high | 109 Ų | 109 | 45.8 Ų | 45.8 | 66% | 0.661 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -56.4 | -176.7 | -178 | 0 | 0 | 0 | 0 | 110.1 | D73 K77 | D73-V75 PolarHBondContact O-N 3.32Å; D73-V75 WeakPolarHBondContact OD1-CA 3.18Å; D73-V75 WeakPolarHBondContact OD1-CB 3.49Å; D73-V75 PolarHBondContact OD1-N 3.42Å; V75-K77 VanDerWaalsContact C-N 3.34Å; V75-K77 PolarHBondContact O-N 3.39Å |
| 76 | K | 96.9 | Very high | 98.4 | Very high | 145 Ų | 145 | 46.6 Ų | 46.6 | 63% | 0.63 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -16.2 | -172.5 | -61.3 | -176 | -179.8 | -174.6 | 0 | 113.9 | D73 T78 | D73-K76 HydrophobicContact CB-CB 4.15Å; D73-K76 PolarHBondContact OD1-N 2.59Å; K76-T78 WeakPolarHBondContact CB-OG1 3.34Å; K76-T78 PolarHBondContact O-N 2.79Å |
| 77 | K | 97.8 | Very high | 98.4 | Very high | 101 Ų | 101 | 41.9 Ų | 41.9 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | trans | 56 | 28.6 | -176.4 | -51.6 | -55.9 | -171.6 | -170.5 | 0 | 113.9 | D73 K74 V75 Y124 | D73-K77 VanDerWaalsContact O-CA 3.29Å; D73-K77 WeakPolarHBondContact O-CA 3.16Å; D73-K77 PolarHBondContact O-N 3.1Å; K74-K77 VanDerWaalsContact O-CE 3.3Å; K74-K77 WeakPolarHBondContact O-CE 3.46Å; K74-K77 PolarHBondContact O-NZ 3.16Å; V75-K77 VanDerWaalsContact C-N 3.34Å; V75-K77 PolarHBondContact O-N 3.39Å; K77-Y124 HydrophobicContact CD-CD1 4.47Å; K77-Y124 HydrophobicContact CD-CE1 3.73Å; K77-Y124 VanDerWaalsContact NZ-CZ 3.3Å; K77-Y124 PolarHBondContact NZ-OH 3.13Å | ||
| 78 | T | 98.1 | Very high | 98.4 | Very high | 79 Ų | 79 | 43.3 Ų | 43.3 | 49% | 0.485 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -105.8 | 157.1 | 175.3 | 44.5 | 0 | 0 | 0 | 0 | 110.2 | L72 D73 K76 C80 | L72-T78 CarbonylContact C-O 3.52Å; L72-T78 VanDerWaalsContact CA-O 3.28Å; L72-T78 WeakPolarHBondContact CA-O 2.89Å; D73-T78 PolarHBondContact N-O 2.91Å; K76-T78 WeakPolarHBondContact CB-OG1 3.34Å; K76-T78 PolarHBondContact O-N 2.79Å; T78-C80 PolarHBondContact O-N 3.3Å |
| 79 | A | 98.4 | Very high | 98.4 | Very high | 28 Ų | 28 | 45.5 Ų | 45.5 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 130.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I70 G71 | I70-A79 HydrophobicContact CG2-CB 4.02Å; G71-A79 WeakPolarHBondContact O-CA 3.37Å |
| 80 | C | 97.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 28.5 | 179.4 | 70.7 | 0 | 0 | 0 | 0 | 112.5 | F48 G71 L72 D73 T78 F82 Q132 R145 | F48-C80 HydrophobicContact CE1-CB 4.46Å; F48-C80 WeakPolarHBondContact CE1-O 3.38Å; G71-C80 PolarHBondContact O-N 3.37Å; L72-C80 PolarHBondContact O-SG 2.86Å; L72-C80 VanDerWaalsContact O-SG 3.39Å; D73-C80 HydrophobicContact CB-CB 4.36Å; T78-C80 PolarHBondContact O-N 3.3Å; C80-F82 WeakPolarHBondContact SG-CE1 3.47Å; C80-Q132 VanDerWaalsContact O-CG 3.32Å; C80-Q132 WeakPolarHBondContact O-CG 3.39Å; C80-Q132 PolarHBondContact O-OE1 3.09Å; C80-R145 PolarHBondContact O-NH1 3.21Å |
| 81 | G | 98.4 | Very high | 98.4 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.9 | 30.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115 | L46 Q132 R145 | L46-G81 PolarHBondContact N-O 2.92Å; G81-Q132 PolarHBondContact O-OE1 2.98Å; G81-R145 PolarHBondContact O-NH1 2.85Å; G81-R145 PolarHBondContact O-NH2 3.19Å |
| 82 | F | 98.9 | Very high | 98.4 | Very high | 11 Ų | 11 | 51 Ų | 51 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 166.7 | 162.3 | 75.9 | -83.1 | 0 | 0 | 0 | 109.7 | Y42 V43 G71 C80 F84 Q123 Q132 | Y42-F82 AromaticContact CD2-CD2 3.95Å; Y42-F82 HydrophobicContact CD2-CD2 3.95Å; Y42-F82 HydrophobicContact CE2-CB 3.69Å; Y42-F82 AromaticContact CE2-CD2 3.44Å; Y42-F82 HydrophobicContact CE2-CD2 3.44Å; Y42-F82 VanDerWaalsContact CE2-CD2 3.44Å; Y42-F82 HydrophobicContact CE2-CE2 4.24Å; Y42-F82 AromaticContact CE2-CG 3.77Å; Y42-F82 HydrophobicContact CE2-CG 3.77Å; V43-F82 CarbonylContact O-C 3.59Å; V43-F82 WeakPolarHBondContact O-CA 3.29Å; V43-F82 VanDerWaalsContact O-CB 3.29Å; V43-F82 WeakPolarHBondContact O-CB 3.37Å; G71-F82 WeakPolarHBondContact CA-O 3.47Å; G71-F82 PolarHBondContact N-O 2.81Å; C80-F82 WeakPolarHBondContact SG-CE1 3.47Å; F82-F84 HydrophobicContact CD2-CE2 4.33Å; F82-F84 HydrophobicContact CE2-CD2 4.4Å; F82-F84 AromaticContact CE2-CE2 3.64Å; F82-F84 HydrophobicContact CE2-CE2 3.64Å; F82-F84 AromaticContact CE2-CZ 3.98Å; F82-F84 HydrophobicContact CE2-CZ 3.98Å; F82-Q123 WeakPolarHBondContact CZ-O 3.32Å; F82-Q132 VanDerWaalsContact CD1-CD 3.5Å; F82-Q132 HydrophobicContact CD1-CG 3.72Å; F82-Q132 HydrophobicContact CE1-CG 4.13Å |
| 83 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 175.9 | 168.1 | 70.4 | 0 | 0 | 0 | 0 | 110.7 | V43 L46 I68 I69 I70 | V43-C83 PolarHBondContact N-O 3.48Å; V43-C83 PolarHBondContact O-N 2.9Å; L46-C83 HydrophobicContact CD1-CB 4.15Å; I68-C83 HydrophobicContact CG2-CB 4.45Å; I69-C83 CarbonylContact O-C 3.47Å; I69-C83 WeakPolarHBondContact O-CA 3.47Å; I69-C83 VanDerWaalsContact O-CB 3.26Å; I69-C83 WeakPolarHBondContact O-CB 3.25Å; I70-C83 HydrophobicContact CD1-CB 3.96Å |
| 84 | F | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 138.7 | 164.2 | -57.6 | -85.7 | 0 | 0 | 0 | 109.3 | T40 L41 Y42 I68 I69 F82 D115 F118 R122 | T40-F84 HydrophobicContact CG2-CB 4.28Å; L41-F84 CarbonylContact O-C 3.58Å; L41-F84 VanDerWaalsContact O-CA 3.24Å; L41-F84 WeakPolarHBondContact O-CA 3.46Å; Y42-F84 HydrophobicContact CD2-CE1 4.1Å; Y42-F84 HydrophobicContact CD2-CZ 4.47Å; I68-F84 CarbonylContact C-O 3.5Å; I68-F84 WeakPolarHBondContact CA-O 3.36Å; I69-F84 HydrophobicContact CB-CB 4.26Å; I69-F84 HydrophobicContact CB-CD2 4.23Å; I69-F84 HydrophobicContact CD1-CB 4.03Å; I69-F84 HydrophobicContact CG2-CD2 4.5Å; I69-F84 PolarHBondContact N-O 3.34Å; I69-F84 PolarHBondContact O-N 2.94Å; F82-F84 HydrophobicContact CD2-CE2 4.33Å; F82-F84 HydrophobicContact CE2-CD2 4.4Å; F82-F84 AromaticContact CE2-CE2 3.64Å; F82-F84 HydrophobicContact CE2-CE2 3.64Å; F82-F84 AromaticContact CE2-CZ 3.98Å; F82-F84 HydrophobicContact CE2-CZ 3.98Å; F84-D115 HydrophobicContact CD1-CB 4.33Å; F84-D115 WeakPolarHBondContact CE1-OD2 3.22Å; F84-F118 AromaticContact CD2-CD2 3.88Å; F84-F118 HydrophobicContact CD2-CD2 3.88Å; F84-F118 HydrophobicContact CD2-CE2 4.24Å; F84-F118 HydrophobicContact CE2-CD2 4.15Å; F84-F118 HydrophobicContact CE2-CE2 4.32Å; F84-F118 HydrophobicContact CG-CD2 4.34Å; F84-R122 HydrophobicContact CE2-CB 4.35Å; F84-R122 WeakPolarHBondContact CE2-O 3.33Å; F84-R122 HydrophobicContact CZ-CB 4.22Å |
| 85 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.2 | 172.5 | -179.2 | 0 | 0 | 0 | 0 | 107.7 | T40 L41 V43 V55 F59 V65 I68 Y87 | T40-V85 CarbonylContact C-O 3.58Å; T40-V85 WeakPolarHBondContact CA-O 3.25Å; L41-V85 PolarHBondContact N-O 2.73Å; L41-V85 PolarHBondContact O-N 3.42Å; V43-V85 HydrophobicContact CG2-CB 4.46Å; V43-V85 HydrophobicContact CG2-CG2 3.77Å; V55-V85 HydrophobicContact CG1-CG2 3.79Å; F59-V85 HydrophobicContact CB-CG1 4.1Å; F59-V85 HydrophobicContact CD1-CB 3.99Å; F59-V85 HydrophobicContact CD1-CG1 3.79Å; F59-V85 HydrophobicContact CD1-CG2 3.81Å; F59-V85 HydrophobicContact CD2-CG2 4.39Å; F59-V85 HydrophobicContact CE1-CB 4.37Å; F59-V85 HydrophobicContact CE1-CG2 4.07Å; F59-V85 HydrophobicContact CG-CG1 4.15Å; F59-V85 HydrophobicContact CG-CG2 4.01Å; F59-V85 HydrophobicContact CZ-CG2 4.47Å; V65-V85 HydrophobicContact CG1-CG1 4.02Å; V65-V85 HydrophobicContact CG2-CG1 4.17Å; I68-V85 HydrophobicContact CG1-CG2 4.45Å; V85-Y87 HydrophobicContact CG1-CD2 4.18Å; V85-Y87 HydrophobicContact CG1-CE2 3.75Å |
| 86 | E | 98.8 | Very high | 98.5 | Very high | 30 Ų | 30 | 41 Ų | 41 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123 | 173.7 | -172.6 | -176.4 | 170.8 | 0 | 0 | 108.7 | T40 K66 R67 | T40-E86 HydrophobicContact CG2-CB 4.49Å; K66-E86 WeakPolarHBondContact CA-O 3.43Å; K66-E86 HydrophobicContact CB-CG 4.5Å; K66-E86 WeakPolarHBondContact CB-O 3.24Å; K66-E86 HydrophobicContact CD-CG 4.24Å; K66-E86 WeakPolarHBondContact CD-OE1 3.16Å; K66-E86 WeakPolarHBondContact CE-OE1 3.1Å; K66-E86 PolarHBondContact N-O 3.41Å; K66-E86 IonicContact NZ-OE1 3.12Å; K66-E86 PolarHBondContact NZ-OE1 2.91Å; R67-E86 HydrophobicContact CB-CB 4.41Å; R67-E86 PolarHBondContact N-O 3.04Å; R67-E86 VanDerWaalsContact N-O 3.15Å; R67-E86 PolarHBondContact O-N 3.04Å |
| 87 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 160.1 | 172.1 | -74.2 | -86.8 | 0 | 0 | 0 | 111.1 | N39 L41 F59 D64 V65 V85 T89 D92 A93 A96 | N39-Y87 PolarHBondContact ND2-O 3.48Å; N39-Y87 PolarHBondContact O-N 3.36Å; L41-Y87 HydrophobicContact CD1-CE2 4.14Å; F59-Y87 WeakPolarHBondContact CB-OH 3.43Å; F59-Y87 HydrophobicContact CD1-CE2 4.25Å; F59-Y87 VanDerWaalsContact CD1-OH 3.3Å; F59-Y87 WeakPolarHBondContact CD1-OH 3.24Å; F59-Y87 PolarHBondContact O-OH 2.82Å; D64-Y87 WeakPolarHBondContact O-CD1 3.14Å; V65-Y87 HydrophobicContact CG2-CD1 4.28Å; V65-Y87 HydrophobicContact CG2-CE1 3.81Å; V85-Y87 HydrophobicContact CG1-CD2 4.18Å; V85-Y87 HydrophobicContact CG1-CE2 3.75Å; Y87-T89 VanDerWaalsContact C-N 3.34Å; Y87-T89 WeakPolarHBondContact CB-O 3.29Å; Y87-D92 HydrophobicContact CD1-CB 3.49Å; Y87-D92 VanDerWaalsContact CD1-CB 3.49Å; Y87-D92 HydrophobicContact CE1-CB 4.08Å; Y87-D92 HydrophobicContact CG-CB 3.92Å; Y87-A93 HydrophobicContact CD2-CB 3.62Å; Y87-A93 HydrophobicContact CE2-CB 4.27Å; Y87-A93 HydrophobicContact CG-CB 4.23Å; Y87-A96 HydrophobicContact CE2-CB 3.92Å; Y87-A96 VanDerWaalsContact OH-CB 3.3Å; Y87-A96 WeakPolarHBondContact OH-CB 3.48Å |
| 88 | Y | 98.6 | Very high | 98.6 | Very high | 148 Ų | 148 | 32.6 Ų | 32.6 | 58% | 0.58 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -66.1 | -39.1 | 168.8 | -77 | -78.5 | 0 | 0 | 0 | 112 | D64 K66 | D64-Y88 HydrophobicContact CB-CD2 3.78Å; D64-Y88 HydrophobicContact CB-CE2 4.42Å; D64-Y88 WeakPolarHBondContact O-CD2 3.41Å; D64-Y88 PolarHBondContact O-N 3.32Å; D64-Y88 VanDerWaalsContact O-N 3.16Å; K66-Y88 VanDerWaalsContact CA-CE2 3.5Å; K66-Y88 HydrophobicContact CB-CD1 4.1Å; K66-Y88 HydrophobicContact CB-CD2 3.82Å; K66-Y88 HydrophobicContact CB-CE1 4.03Å; K66-Y88 HydrophobicContact CB-CE2 3.75Å; K66-Y88 HydrophobicContact CB-CG 4Å; K66-Y88 HydrophobicContact CD-CD1 4.03Å; K66-Y88 HydrophobicContact CD-CE1 4Å; K66-Y88 HydrophobicContact CG-CD1 4.13Å; K66-Y88 HydrophobicContact CG-CE1 3.76Å; K66-Y88 HydrophobicContact CG-CE2 4.27Å |
| 89 | T | 98.6 | Very high | 98.6 | Very high | 59 Ų | 59 | 35.5 Ų | 35.5 | 36% | 0.362 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -118.1 | 154.3 | -177.7 | 83.6 | 0 | 0 | 0 | 0 | 112.6 | Y87 T91 D92 | Y87-T89 VanDerWaalsContact C-N 3.34Å; Y87-T89 WeakPolarHBondContact CB-O 3.29Å; T89-T91 VanDerWaalsContact C-N 3.32Å; T89-T91 PolarHBondContact OG1-N 2.84Å; T89-D92 PolarHBondContact OG1-N 3.47Å; T89-D92 PolarHBondContact OG1-OD1 2.99Å; T89-D92 PolarHBondContact OG1-OD2 2.66Å |
| 90 | R | 98.3 | Very high | 98.6 | Very high | 51 Ų | 51 | 34.5 Ų | 34.5 | 19% | 0.192 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 171.9 | 172.2 | 66.8 | -178.1 | -158.7 | 0.4 | 111.3 | L35 A38 D92 A93 E94 W114 | L35-R90 PolarHBondContact O-NH1 2.75Å; A38-R90 WeakPolarHBondContact O-CD 3.16Å; A38-R90 PolarHBondContact O-NH1 2.88Å; R90-D92 VanDerWaalsContact C-N 3.3Å; R90-D92 PolarHBondContact O-N 2.99Å; R90-A93 WeakPolarHBondContact O-CB 3.29Å; R90-A93 PolarHBondContact O-N 2.93Å; R90-A93 VanDerWaalsContact O-N 3.15Å; R90-E94 HydrophobicContact CG-CG 4.29Å; R90-E94 WeakPolarHBondContact CG-OE1 3.2Å; R90-E94 IonicContact CZ-OE1 3.79Å; R90-E94 IonicContact NE-OE1 3.25Å; R90-E94 PolarHBondContact NE-OE1 3.14Å; R90-E94 IonicContact NH2-OE1 3.92Å; R90-E94 WeakPolarHBondContact O-CG 3.26Å; R90-E94 PolarHBondContact O-N 3.02Å; R90-W114 VanDerWaalsContact NE-CH2 3.34Å; R90-W114 VanDerWaalsContact NH1-CD2 3.33Å |
| 91 | T | 98.4 | Very high | 98.6 | Very high | 84 Ų | 84 | 36.4 Ų | 36.4 | 52% | 0.515 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59 | -41.5 | -177.8 | -51.8 | 0 | 0 | 0 | 0 | 111.8 | T89 E94 N95 | T89-T91 VanDerWaalsContact C-N 3.32Å; T89-T91 PolarHBondContact OG1-N 2.84Å; T91-E94 WeakPolarHBondContact O-CB 3.32Å; T91-E94 PolarHBondContact O-N 3.24Å; T91-N95 PolarHBondContact O-N 2.78Å; T91-N95 PolarHBondContact O-ND2 2.82Å |
| 92 | D | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 38.3 Ų | 38.3 | 16% | 0.16 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 177.6 | -56.5 | -32 | 0 | 0 | 0 | 111.6 | S62 Y87 T89 R90 E94 N95 A96 | S62-D92 WeakPolarHBondContact O-CA 3.35Å; Y87-D92 HydrophobicContact CD1-CB 3.49Å; Y87-D92 VanDerWaalsContact CD1-CB 3.49Å; Y87-D92 HydrophobicContact CE1-CB 4.08Å; Y87-D92 HydrophobicContact CG-CB 3.92Å; T89-D92 PolarHBondContact OG1-N 3.47Å; T89-D92 PolarHBondContact OG1-OD1 2.99Å; T89-D92 PolarHBondContact OG1-OD2 2.66Å; R90-D92 VanDerWaalsContact C-N 3.3Å; R90-D92 PolarHBondContact O-N 2.99Å; D92-E94 VanDerWaalsContact C-N 3.33Å; D92-E94 PolarHBondContact O-N 2.96Å; D92-N95 WeakPolarHBondContact O-CB 3.04Å; D92-N95 PolarHBondContact O-N 2.84Å; D92-A96 PolarHBondContact O-N 2.81Å |
| 93 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.6 | -37 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | L41 Y87 R90 A96 M97 W114 | L41-A93 HydrophobicContact CD1-CB 4.48Å; L41-A93 HydrophobicContact CD2-CB 4.35Å; L41-A93 HydrophobicContact CG-CB 4.29Å; Y87-A93 HydrophobicContact CD2-CB 3.62Å; Y87-A93 HydrophobicContact CE2-CB 4.27Å; Y87-A93 HydrophobicContact CG-CB 4.23Å; R90-A93 WeakPolarHBondContact O-CB 3.29Å; R90-A93 PolarHBondContact O-N 2.93Å; R90-A93 VanDerWaalsContact O-N 3.15Å; A93-A96 PolarHBondContact O-N 2.68Å; A93-M97 WeakPolarHBondContact O-CG 3.49Å; A93-M97 PolarHBondContact O-N 2.81Å; A93-W114 HydrophobicContact CB-CH2 3.89Å; A93-W114 HydrophobicContact CB-CZ3 3.64Å |
| 94 | E | 98.6 | Very high | 98.5 | Very high | 46 Ų | 46 | 47.4 Ų | 47.4 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 174 | -73.6 | -179.3 | -173.8 | 0 | 0 | 111.8 | V14 R90 T91 D92 A96 M97 R98 W114 | V14-E94 HydrophobicContact CB-CG 4.39Å; V14-E94 HydrophobicContact CG1-CB 3.85Å; V14-E94 HydrophobicContact CG1-CG 3.96Å; R90-E94 HydrophobicContact CG-CG 4.29Å; R90-E94 WeakPolarHBondContact CG-OE1 3.2Å; R90-E94 IonicContact CZ-OE1 3.79Å; R90-E94 IonicContact NE-OE1 3.25Å; R90-E94 PolarHBondContact NE-OE1 3.14Å; R90-E94 IonicContact NH2-OE1 3.92Å; R90-E94 WeakPolarHBondContact O-CG 3.26Å; R90-E94 PolarHBondContact O-N 3.02Å; T91-E94 WeakPolarHBondContact O-CB 3.32Å; T91-E94 PolarHBondContact O-N 3.24Å; D92-E94 VanDerWaalsContact C-N 3.33Å; D92-E94 PolarHBondContact O-N 2.96Å; E94-A96 VanDerWaalsContact C-N 3.3Å; E94-A96 PolarHBondContact O-N 2.64Å; E94-M97 WeakPolarHBondContact O-CB 3.4Å; E94-M97 PolarHBondContact O-N 3.46Å; E94-M97 VanDerWaalsContact O-N 3.16Å; E94-R98 WeakPolarHBondContact O-CG 3.48Å; E94-R98 PolarHBondContact O-N 3.34Å; E94-R98 IonicContact OE2-CZ 3.11Å; E94-R98 IonicContact OE2-NH1 3.87Å; E94-R98 IonicContact OE2-NH2 2.72Å; E94-R98 PolarHBondContact OE2-NH2 2.87Å; E94-R98 VanDerWaalsContact OE2-NH2 3.12Å; E94-W114 HydrophobicContact CB-CH2 4.39Å; E94-W114 HydrophobicContact CG-CH2 3.63Å; E94-W114 HydrophobicContact CG-CZ2 3.77Å |
| 95 | N | 98.6 | Very high | 98.5 | Very high | 42 Ų | 42 | 48 Ų | 48 | 23% | 0.225 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 173.7 | -69.5 | -24 | 0 | 0 | 0 | 111.5 | T91 D92 M97 R98 F99 | T91-N95 PolarHBondContact O-N 2.78Å; T91-N95 PolarHBondContact O-ND2 2.82Å; D92-N95 WeakPolarHBondContact O-CB 3.04Å; D92-N95 PolarHBondContact O-N 2.84Å; N95-M97 VanDerWaalsContact C-N 3.35Å; N95-M97 PolarHBondContact O-N 2.79Å; N95-R98 PolarHBondContact O-N 2.62Å; N95-R98 PolarHBondContact OD1-NH1 2.84Å; N95-F99 HydrophobicContact CB-CD2 4.12Å; N95-F99 HydrophobicContact CB-CE2 4.3Å; N95-F99 WeakPolarHBondContact O-CB 3.49Å; N95-F99 WeakPolarHBondContact O-CD2 3.25Å; N95-F99 PolarHBondContact O-N 2.68Å |
| 96 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L41 F59 S62 Y87 D92 A93 E94 R98 V100 N101 | L41-A96 HydrophobicContact CD1-CB 3.74Å; F59-A96 HydrophobicContact CD1-CB 4.36Å; F59-A96 HydrophobicContact CE1-CB 4.5Å; S62-A96 WeakPolarHBondContact OG-CA 3.32Å; S62-A96 PolarHBondContact OG-N 3.37Å; Y87-A96 HydrophobicContact CE2-CB 3.92Å; Y87-A96 VanDerWaalsContact OH-CB 3.3Å; Y87-A96 WeakPolarHBondContact OH-CB 3.48Å; D92-A96 PolarHBondContact O-N 2.81Å; A93-A96 PolarHBondContact O-N 2.68Å; E94-A96 VanDerWaalsContact C-N 3.3Å; E94-A96 PolarHBondContact O-N 2.64Å; A96-R98 VanDerWaalsContact C-N 3.29Å; A96-R98 PolarHBondContact O-N 2.74Å; A96-V100 HydrophobicContact CB-CB 4.41Å; A96-V100 CarbonylContact O-C 3.52Å; A96-V100 WeakPolarHBondContact O-CA 3.38Å; A96-V100 WeakPolarHBondContact O-CB 3.42Å; A96-V100 PolarHBondContact O-N 3.44Å; A96-N101 PolarHBondContact O-N 3.3Å |
| 97 | M | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -33.7 | 173.8 | -73.2 | -68.6 | -64.5 | 0 | 0 | 112.9 | Y13 V14 L41 A93 E94 N95 N101 T112 W114 | Y13-M97 WeakPolarHBondContact O-CE 3.45Å; V14-M97 HydrophobicContact CG1-CB 4.25Å; L41-M97 HydrophobicContact CD1-CG 4.14Å; L41-M97 HydrophobicContact CD1-SD 4.32Å; L41-M97 HydrophobicContact CD2-CG 3.72Å; L41-M97 HydrophobicContact CD2-SD 3.72Å; A93-M97 WeakPolarHBondContact O-CG 3.49Å; A93-M97 PolarHBondContact O-N 2.81Å; E94-M97 WeakPolarHBondContact O-CB 3.4Å; E94-M97 PolarHBondContact O-N 3.46Å; E94-M97 VanDerWaalsContact O-N 3.16Å; N95-M97 VanDerWaalsContact C-N 3.35Å; N95-M97 PolarHBondContact O-N 2.79Å; M97-N101 WeakPolarHBondContact O-CB 3.2Å; M97-T112 PolarHBondContact SD-OG1 3.27Å; M97-W114 HydrophobicContact CB-CZ2 4.35Å; M97-W114 HydrophobicContact CG-CH2 4Å; M97-W114 HydrophobicContact CG-CZ2 3.64Å |
| 98 | R | 97.9 | Very high | 98.3 | Very high | 65 Ų | 65 | 57.8 Ų | 57.8 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -78 | -46.3 | 177.9 | -69.7 | 170.5 | -173.2 | 120 | 11.7 | 113.4 | D11 V14 E94 N95 A96 | D11-R98 IonicContact OD1-NE 3.93Å; D11-R98 IonicContact OD2-CZ 3.45Å; D11-R98 IonicContact OD2-NE 2.67Å; D11-R98 PolarHBondContact OD2-NE 3.44Å; D11-R98 IonicContact OD2-NH2 2.98Å; D11-R98 PolarHBondContact OD2-NH2 2.66Å; V14-R98 HydrophobicContact CG1-CG 4.04Å; E94-R98 WeakPolarHBondContact O-CG 3.48Å; E94-R98 PolarHBondContact O-N 3.34Å; E94-R98 IonicContact OE2-CZ 3.11Å; E94-R98 IonicContact OE2-NH1 3.87Å; E94-R98 IonicContact OE2-NH2 2.72Å; E94-R98 PolarHBondContact OE2-NH2 2.87Å; E94-R98 VanDerWaalsContact OE2-NH2 3.12Å; N95-R98 PolarHBondContact O-N 2.62Å; N95-R98 PolarHBondContact OD1-NH1 2.84Å; A96-R98 VanDerWaalsContact C-N 3.29Å; A96-R98 PolarHBondContact O-N 2.74Å |
| 99 | F | 98.1 | Very high | 98.3 | Very high | 140 Ų | 140 | 54.6 Ų | 54.6 | 61% | 0.614 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -114.5 | -22.1 | -162.4 | -52.9 | -58.2 | 0 | 0 | 0 | 114.2 | N95 T103 | N95-F99 HydrophobicContact CB-CD2 4.12Å; N95-F99 HydrophobicContact CB-CE2 4.3Å; N95-F99 WeakPolarHBondContact O-CB 3.49Å; N95-F99 WeakPolarHBondContact O-CD2 3.25Å; N95-F99 PolarHBondContact O-N 2.68Å; F99-T103 WeakPolarHBondContact O-CG2 3.12Å |
| 100 | V | 98.4 | Very high | 98.3 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -34.8 | 179.4 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | L58 F59 S62 A96 G102 T103 I110 | L58-V100 HydrophobicContact CD1-CG1 4.42Å; L58-V100 HydrophobicContact CD2-CG1 3.97Å; L58-V100 HydrophobicContact CG-CG1 3.92Å; F59-V100 HydrophobicContact CD2-CG1 4.39Å; F59-V100 HydrophobicContact CE1-CG1 4.23Å; F59-V100 HydrophobicContact CE2-CG1 4.01Å; F59-V100 HydrophobicContact CZ-CG1 3.9Å; S62-V100 WeakPolarHBondContact OG-CG2 3.28Å; A96-V100 HydrophobicContact CB-CB 4.41Å; A96-V100 CarbonylContact O-C 3.52Å; A96-V100 WeakPolarHBondContact O-CA 3.38Å; A96-V100 WeakPolarHBondContact O-CB 3.42Å; A96-V100 PolarHBondContact O-N 3.44Å; V100-G102 PolarHBondContact O-N 2.74Å; V100-T103 WeakPolarHBondContact O-CB 3.38Å; V100-T103 WeakPolarHBondContact O-CG2 3.45Å; V100-T103 PolarHBondContact O-N 3.21Å; V100-T103 PolarHBondContact O-OG1 2.77Å; V100-I110 HydrophobicContact CG1-CD1 3.87Å |
| 101 | N | 98.4 | Very high | 98.3 | Very high | 43 Ų | 43 | 55 Ų | 55 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 132.9 | 174.1 | -167.4 | 17 | 0 | 0 | 0 | 111.6 | A96 M97 T103 R111 T112 | A96-N101 PolarHBondContact O-N 3.3Å; M97-N101 WeakPolarHBondContact O-CB 3.2Å; N101-T103 PolarHBondContact O-N 2.76Å; N101-R111 WeakPolarHBondContact OD1-CA 3.44Å; N101-T112 WeakPolarHBondContact CB-OG1 3.29Å; N101-T112 PolarHBondContact OD1-N 3.35Å; N101-T112 PolarHBondContact OD1-OG1 3.43Å |
| 102 | G | 97.9 | Very high | 98.3 | Very high | 41 Ų | 41 | 51 Ų | 51 | 42% | 0.423 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 2.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V100 I109 I110 | V100-G102 PolarHBondContact O-N 2.74Å; G102-I109 WeakPolarHBondContact O-CG2 3.5Å; G102-I110 WeakPolarHBondContact CA-O 3.23Å; G102-I110 PolarHBondContact N-O 2.96Å |
| 103 | T | 98.6 | Very high | 98.3 | Very high | 48 Ų | 48 | 49.9 Ų | 49.9 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | trans | -86.5 | -179.4 | 171 | 71.8 | 0 | 0 | 0 | 0 | 111.7 | F99 V100 N101 I109 I110 | F99-T103 WeakPolarHBondContact O-CG2 3.12Å; V100-T103 WeakPolarHBondContact O-CB 3.38Å; V100-T103 WeakPolarHBondContact O-CG2 3.45Å; V100-T103 PolarHBondContact O-N 3.21Å; V100-T103 PolarHBondContact O-OG1 2.77Å; N101-T103 PolarHBondContact O-N 2.76Å; T103-I109 CarbonylContact O-C 3.58Å; T103-I109 WeakPolarHBondContact O-CA 3.37Å; T103-I110 PolarHBondContact O-N 3.33Å | ||
| 104 | R | 98.4 | Very high | 98.3 | Very high | 154 Ų | 154 | 50.2 Ų | 50.2 | 58% | 0.581 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 139 | -176.6 | -69.7 | 179.4 | 179.7 | -97.3 | 0.6 | 112.4 | D107 R108 I109 | R104-D107 PolarHBondContact NH1-O 2.89Å; R104-R108 CarbonylContact C-O 3.55Å; R104-R108 VanDerWaalsContact CA-O 3.26Å; R104-R108 WeakPolarHBondContact CA-O 3.32Å; R104-I109 HydrophobicContact CG-CD1 3.58Å |
| 105 | L | 98.5 | Very high | 98.3 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 9% | 0.094 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 126 | 162.4 | -174.3 | 55.9 | 0 | 0 | 0 | 108.1 | L46 T50 Q54 V55 L58 D107 R108 I110 | L46-L105 HydrophobicContact CD2-CD2 3.89Å; T50-L105 HydrophobicContact CG2-CD2 3.72Å; T50-L105 HydrophobicContact CG2-CG 4.03Å; Q54-L105 HydrophobicContact CB-CD1 4.26Å; V55-L105 HydrophobicContact CG2-CD2 4.08Å; L58-L105 HydrophobicContact CD2-CB 3.98Å; L58-L105 HydrophobicContact CD2-CD1 4.17Å; L58-L105 HydrophobicContact CD2-CD2 4.08Å; L58-L105 HydrophobicContact CD2-CG 4.31Å; L105-D107 VanDerWaalsContact C-N 3.29Å; L105-D107 PolarHBondContact O-N 2.66Å; L105-R108 PolarHBondContact N-O 2.75Å; L105-R108 WeakPolarHBondContact O-CB 3.24Å; L105-R108 PolarHBondContact O-N 2.87Å; L105-I110 HydrophobicContact CB-CG2 3.72Å |
| 106 | D | 97.4 | Very high | 98.2 | Very high | 63 Ų | 63 | 47.2 Ų | 47.2 | 34% | 0.337 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 49 | -169.7 | -64.5 | -37.9 | 0 | 0 | 0 | 113 | T50 Q54 R108 | T50-D106 VanDerWaalsContact CA-OD2 3.22Å; T50-D106 WeakPolarHBondContact CA-OD2 3.45Å; T50-D106 VanDerWaalsContact CB-OD2 3.25Å; T50-D106 WeakPolarHBondContact CB-OD2 3.3Å; T50-D106 PolarHBondContact OG1-OD2 3.36Å; Q54-D106 PolarHBondContact NE2-OD1 3.3Å; D106-R108 WeakPolarHBondContact O-CG 3.15Å; D106-R108 PolarHBondContact O-N 2.98Å |
| 107 | D | 96.3 | Very high | 98.1 | Very high | 137 Ų | 137 | 48.3 Ų | 48.3 | 73% | 0.733 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 11.5 | -176.6 | -71.9 | -33.1 | 0 | 0 | 0 | 116.4 | R104 L105 | R104-D107 PolarHBondContact NH1-O 2.89Å; L105-D107 VanDerWaalsContact C-N 3.29Å; L105-D107 PolarHBondContact O-N 2.66Å |
| 108 | R | 97.9 | Very high | 97.9 | Very high | 34 Ų | 34 | 50 Ų | 50 | 13% | 0.128 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.4 | 177.3 | -58.8 | -178.3 | 68.4 | 85.4 | -0.3 | 111.2 | N45 R104 L105 D106 I110 D142 | N45-R108 WeakPolarHBondContact O-CD 3.47Å; N45-R108 PolarHBondContact O-NE 3.49Å; N45-R108 PolarHBondContact OD1-NH2 2.92Å; R104-R108 CarbonylContact C-O 3.55Å; R104-R108 VanDerWaalsContact CA-O 3.26Å; R104-R108 WeakPolarHBondContact CA-O 3.32Å; L105-R108 PolarHBondContact N-O 2.75Å; L105-R108 WeakPolarHBondContact O-CB 3.24Å; L105-R108 PolarHBondContact O-N 2.87Å; D106-R108 WeakPolarHBondContact O-CG 3.15Å; D106-R108 PolarHBondContact O-N 2.98Å; R108-I110 PolarHBondContact O-N 2.92Å; R108-I110 VanDerWaalsContact O-N 3.13Å; R108-D142 IonicContact CZ-OD2 3.94Å; R108-D142 VanDerWaalsContact CZ-OD2 3.23Å; R108-D142 VanDerWaalsContact NH1-CG 3.27Å; R108-D142 IonicContact NH1-OD1 2.92Å; R108-D142 PolarHBondContact NH1-OD1 3.4Å; R108-D142 IonicContact NH1-OD2 3.96Å; R108-D142 PolarHBondContact NH1-OD2 3.3Å; R108-D142 IonicContact NH2-OD2 3.07Å; R108-D142 PolarHBondContact NH2-OD2 3.46Å |
| 109 | I | 98.4 | Very high | 97.9 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 42% | 0.415 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 109.1 | 170.7 | -59.2 | -65 | 0 | 0 | 0 | 108.7 | N45 G102 T103 R104 | N45-I109 PolarHBondContact ND2-O 3.33Å; G102-I109 WeakPolarHBondContact O-CG2 3.5Å; T103-I109 CarbonylContact O-C 3.58Å; T103-I109 WeakPolarHBondContact O-CA 3.37Å; R104-I109 HydrophobicContact CG-CD1 3.58Å |
| 110 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -82.1 | 153.3 | 179.7 | 64.8 | 172.1 | 0 | 0 | 0 | 110.5 | V43 L46 L58 F59 V100 G102 T103 L105 R108 | V43-I110 HydrophobicContact CG1-CB 4.41Å; V43-I110 HydrophobicContact CG1-CD1 4.3Å; L46-I110 HydrophobicContact CD2-CG2 3.68Å; L58-I110 HydrophobicContact CD2-CD1 3.74Å; F59-I110 HydrophobicContact CE2-CD1 3.88Å; F59-I110 HydrophobicContact CZ-CD1 4Å; V100-I110 HydrophobicContact CG1-CD1 3.87Å; G102-I110 WeakPolarHBondContact CA-O 3.23Å; G102-I110 PolarHBondContact N-O 2.96Å; T103-I110 PolarHBondContact O-N 3.33Å; L105-I110 HydrophobicContact CB-CG2 3.72Å; R108-I110 PolarHBondContact O-N 2.92Å; R108-I110 VanDerWaalsContact O-N 3.13Å | ||
| 111 | R | 98.4 | Very high | 97.7 | Very high | 118 Ų | 118 | 54 Ų | 54 | 45% | 0.445 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 126.4 | 176.6 | 179.5 | 176.1 | 173.4 | -84.7 | -8.6 | 109.8 | G44 N101 D113 | G44-R111 PolarHBondContact N-O 3.36Å; G44-R111 PolarHBondContact O-N 2.98Å; G44-R111 VanDerWaalsContact O-N 3.1Å; N101-R111 WeakPolarHBondContact OD1-CA 3.44Å; R111-D113 IonicContact CZ-OD1 2.75Å; R111-D113 IonicContact CZ-OD2 2.73Å; R111-D113 IonicContact NH1-OD1 2.66Å; R111-D113 IonicContact NH1-OD2 3.7Å; R111-D113 PolarHBondContact NH1-OD2 3.02Å; R111-D113 IonicContact NH2-OD1 3.86Å; R111-D113 PolarHBondContact NH2-OD1 3.02Å; R111-D113 IonicContact NH2-OD2 3.03Å; R111-D113 PolarHBondContact NH2-OD2 3.45Å |
| 112 | T | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 149.5 | 173.7 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | Y42 V43 F59 M97 N101 | Y42-T112 CarbonylContact O-C 3.48Å; Y42-T112 VanDerWaalsContact O-CA 3.24Å; Y42-T112 WeakPolarHBondContact O-CA 3.42Å; V43-T112 HydrophobicContact CG1-CG2 4.45Å; V43-T112 HydrophobicContact CG2-CG2 4.28Å; F59-T112 HydrophobicContact CE1-CG2 3.95Å; F59-T112 HydrophobicContact CZ-CG2 3.85Å; M97-T112 PolarHBondContact SD-OG1 3.27Å; N101-T112 WeakPolarHBondContact CB-OG1 3.29Å; N101-T112 PolarHBondContact OD1-N 3.35Å; N101-T112 PolarHBondContact OD1-OG1 3.43Å |
| 113 | D | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.032 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 150 | 171.8 | -96.2 | -33.7 | 0 | 0 | 0 | 109.1 | S17 L41 Y42 R111 D115 | S17-D113 WeakPolarHBondContact CB-OD1 3.45Å; S17-D113 VanDerWaalsContact OG-CG 3.27Å; S17-D113 PolarHBondContact OG-OD1 3.42Å; S17-D113 PolarHBondContact OG-OD2 3.44Å; L41-D113 CarbonylContact C-O 3.47Å; L41-D113 VanDerWaalsContact CA-O 3.29Å; L41-D113 WeakPolarHBondContact CA-O 3.46Å; Y42-D113 HydrophobicContact CD1-CB 4.38Å; Y42-D113 PolarHBondContact N-O 3.26Å; Y42-D113 PolarHBondContact O-N 2.87Å; R111-D113 IonicContact CZ-OD1 2.75Å; R111-D113 IonicContact CZ-OD2 2.73Å; R111-D113 IonicContact NH1-OD1 2.66Å; R111-D113 IonicContact NH1-OD2 3.7Å; R111-D113 PolarHBondContact NH1-OD2 3.02Å; R111-D113 IonicContact NH2-OD1 3.86Å; R111-D113 PolarHBondContact NH2-OD1 3.02Å; R111-D113 IonicContact NH2-OD2 3.03Å; R111-D113 PolarHBondContact NH2-OD2 3.45Å; D113-D115 PolarHBondContact O-N 3.05Å |
| 114 | W | 98.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 138 | 167.1 | -65.7 | 112.7 | 0 | 0 | 0 | 111.3 | V14 L35 A38 L41 R90 A93 E94 M97 | V14-W114 HydrophobicContact CB-CZ2 4.24Å; V14-W114 PolarHBondContact O-NE1 3.25Å; L35-W114 HydrophobicContact CB-CB 4.36Å; L35-W114 VanDerWaalsContact CD2-C 3.48Å; L35-W114 HydrophobicContact CD2-CB 3.85Å; L35-W114 WeakPolarHBondContact CD2-O 3.37Å; A38-W114 HydrophobicContact CB-CE3 4.39Å; A38-W114 WeakPolarHBondContact O-CZ3 3.32Å; L41-W114 HydrophobicContact CD2-CD2 4.02Å; L41-W114 HydrophobicContact CD2-CE3 3.38Å; L41-W114 HydrophobicContact CD2-CH2 4.14Å; L41-W114 HydrophobicContact CD2-CZ3 3.46Å; L41-W114 VanDerWaalsContact CD2-CZ3 3.46Å; R90-W114 VanDerWaalsContact NE-CH2 3.34Å; R90-W114 VanDerWaalsContact NH1-CD2 3.33Å; A93-W114 HydrophobicContact CB-CH2 3.89Å; A93-W114 HydrophobicContact CB-CZ3 3.64Å; E94-W114 HydrophobicContact CB-CH2 4.39Å; E94-W114 HydrophobicContact CG-CH2 3.63Å; E94-W114 HydrophobicContact CG-CZ2 3.77Å; M97-W114 HydrophobicContact CB-CZ2 4.35Å; M97-W114 HydrophobicContact CG-CH2 4Å; M97-W114 HydrophobicContact CG-CZ2 3.64Å |
| 115 | D | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.1 | 176.3 | -172.2 | -91.6 | 0 | 0 | 0 | 110.7 | A38 T40 F84 D113 G117 R122 | A38-D115 WeakPolarHBondContact CB-O 3.47Å; T40-D115 HydrophobicContact CG2-CB 4.07Å; T40-D115 PolarHBondContact O-N 2.71Å; F84-D115 HydrophobicContact CD1-CB 4.33Å; F84-D115 WeakPolarHBondContact CE1-OD2 3.22Å; D113-D115 PolarHBondContact O-N 3.05Å; D115-G117 PolarHBondContact O-N 2.87Å; D115-G117 PolarHBondContact OD1-N 3.28Å; D115-R122 IonicContact OD1-CZ 2.8Å; D115-R122 IonicContact OD1-NH1 3.85Å; D115-R122 PolarHBondContact OD1-NH1 3.47Å; D115-R122 IonicContact OD1-NH2 3.28Å; D115-R122 IonicContact OD2-CZ 3.23Å; D115-R122 VanDerWaalsContact OD2-CZ 3.26Å; D115-R122 IonicContact OD2-NH1 3.03Å; D115-R122 PolarHBondContact OD2-NH1 2.74Å; D115-R122 IonicContact OD2-NH2 2.96Å; D115-R122 PolarHBondContact OD2-NH2 3.5Å |
| 116 | A | 97.9 | Very high | 97.7 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -70.5 | 1.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | F24 Q31 L34 L35 | F24-A116 HydrophobicContact CD2-CB 4.48Å; F24-A116 HydrophobicContact CE2-CB 4.27Å; Q31-A116 HydrophobicContact CG-CB 4.32Å; L34-A116 HydrophobicContact CB-CB 3.94Å; L34-A116 HydrophobicContact CD1-CB 4.27Å; L35-A116 HydrophobicContact CD2-CB 4.2Å; L35-A116 HydrophobicContact CG-CB 4.37Å |
| 117 | G | 94.9 | Very high | 97.7 | Very high | 23 Ų | 23 | 46.9 Ų | 46.9 | 24% | 0.237 | 23% | 0.233 | C | C | . | . | trans | 119.4 | 140 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D115 R122 | D115-G117 PolarHBondContact O-N 2.87Å; D115-G117 PolarHBondContact OD1-N 3.28Å; G117-R122 PolarHBondContact O-NH1 3.25Å | ||
| 118 | F | 95.9 | Very high | 97.7 | Very high | 38 Ų | 38 | 49.1 Ų | 49.1 | 17% | 0.167 | 24% | 0.236 | C | C | . | . | trans | -64.8 | 137.6 | 176.8 | -177.9 | -98.7 | 0 | 0 | 0 | 111.1 | I69 F84 R122 Q123 | I69-F118 HydrophobicContact CB-CD2 4.32Å; I69-F118 HydrophobicContact CB-CE2 4.22Å; I69-F118 HydrophobicContact CD1-CB 4.27Å; I69-F118 HydrophobicContact CD1-CD2 4.16Å; I69-F118 HydrophobicContact CD1-CG 4.04Å; I69-F118 HydrophobicContact CG1-CD1 4.46Å; I69-F118 HydrophobicContact CG1-CD2 4.1Å; I69-F118 HydrophobicContact CG1-CE2 4.21Å; I69-F118 HydrophobicContact CG1-CG 4.24Å; I69-F118 HydrophobicContact CG1-CZ 4.44Å; I69-F118 HydrophobicContact CG2-CD2 4.24Å; I69-F118 HydrophobicContact CG2-CE2 3.64Å; I69-F118 HydrophobicContact CG2-CZ 3.95Å; F84-F118 AromaticContact CD2-CD2 3.88Å; F84-F118 HydrophobicContact CD2-CD2 3.88Å; F84-F118 HydrophobicContact CD2-CE2 4.24Å; F84-F118 HydrophobicContact CE2-CD2 4.15Å; F84-F118 HydrophobicContact CE2-CE2 4.32Å; F84-F118 HydrophobicContact CG-CD2 4.34Å; F118-R122 HydrophobicContact CD2-CB 4.48Å; F118-R122 HydrophobicContact CE2-CB 4.29Å; F118-Q123 HydrophobicContact CE2-CB 4.08Å; F118-Q123 HydrophobicContact CZ-CB 4.32Å | ||
| 119 | K | 96.6 | Very high | 97.5 | Very high | 114 Ų | 114 | 49.3 Ų | 49.3 | 50% | 0.496 | 24% | 0.243 | S | C | . | . | trans | -135.9 | 146.5 | 169.2 | -67.5 | -173 | 179.2 | -177.3 | 0 | 108.2 | G121 R122 | K119-G121 PolarHBondContact O-N 3.11Å; K119-R122 HydrophobicContact CB-CG 4.29Å; K119-R122 VanDerWaalsContact O-CB 3.24Å; K119-R122 WeakPolarHBondContact O-CB 3.46Å; K119-R122 VanDerWaalsContact O-CG 3.3Å; K119-R122 WeakPolarHBondContact O-CG 3.24Å; K119-R122 PolarHBondContact O-N 3.33Å | ||
| 120 | E | 96.7 | Very high | 97.5 | Very high | 146 Ų | 146 | 45.6 Ų | 45.6 | 68% | 0.682 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 137.7 | 179 | -171.8 | 53.8 | -143 | 0 | 0 | 111.4 | R122 Q123 | E120-R122 VanDerWaalsContact C-N 3.34Å; E120-Q123 PolarHBondContact OE1-NE2 3.48Å |
| 121 | G | 97.3 | Very high | 97.4 | Very high | 36 Ų | 36 | 46 Ų | 46 | 37% | 0.371 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -18.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K119 Q123 Y124 | K119-G121 PolarHBondContact O-N 3.11Å; G121-Q123 VanDerWaalsContact C-N 3.26Å; G121-Q123 VanDerWaalsContact C-OE1 3.25Å; G121-Q123 VanDerWaalsContact CA-OE1 3.22Å; G121-Q123 PolarHBondContact O-N 2.8Å; G121-Y124 PolarHBondContact O-N 3.2Å |
| 122 | R | 98.1 | Very high | 97.4 | Very high | 30 Ų | 30 | 41.2 Ų | 41.2 | 11% | 0.113 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16.3 | 177.7 | -63.2 | -172.2 | 72.3 | -125.3 | -13.1 | 113.4 | D21 F84 D115 G117 F118 K119 E120 Y124 | D21-R122 IonicContact OD2-CZ 2.79Å; D21-R122 IonicContact OD2-NE 2.78Å; D21-R122 PolarHBondContact OD2-NE 2.96Å; D21-R122 IonicContact OD2-NH2 3.86Å; D21-R122 PolarHBondContact OD2-NH2 3.31Å; F84-R122 HydrophobicContact CE2-CB 4.35Å; F84-R122 WeakPolarHBondContact CE2-O 3.33Å; F84-R122 HydrophobicContact CZ-CB 4.22Å; D115-R122 IonicContact OD1-CZ 2.8Å; D115-R122 IonicContact OD1-NH1 3.85Å; D115-R122 PolarHBondContact OD1-NH1 3.47Å; D115-R122 IonicContact OD1-NH2 3.28Å; D115-R122 IonicContact OD2-CZ 3.23Å; D115-R122 VanDerWaalsContact OD2-CZ 3.26Å; D115-R122 IonicContact OD2-NH1 3.03Å; D115-R122 PolarHBondContact OD2-NH1 2.74Å; D115-R122 IonicContact OD2-NH2 2.96Å; D115-R122 PolarHBondContact OD2-NH2 3.5Å; G117-R122 PolarHBondContact O-NH1 3.25Å; F118-R122 HydrophobicContact CD2-CB 4.48Å; F118-R122 HydrophobicContact CE2-CB 4.29Å; K119-R122 HydrophobicContact CB-CG 4.29Å; K119-R122 VanDerWaalsContact O-CB 3.24Å; K119-R122 WeakPolarHBondContact O-CB 3.46Å; K119-R122 VanDerWaalsContact O-CG 3.3Å; K119-R122 WeakPolarHBondContact O-CG 3.24Å; K119-R122 PolarHBondContact O-N 3.33Å; E120-R122 VanDerWaalsContact C-N 3.34Å; R122-Y124 PolarHBondContact O-N 2.95Å |
| 123 | Q | 98.4 | Very high | 97.3 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.5 | 172.6 | 73.8 | -84.1 | 30.5 | 0 | 0 | 112.7 | I69 G71 L72 F82 F118 E120 G121 | I69-Q123 HydrophobicContact CG2-CB 3.74Å; G71-Q123 CarbonylContact C-O 3.32Å; G71-Q123 VanDerWaalsContact CA-O 3.29Å; G71-Q123 WeakPolarHBondContact CA-O 3.5Å; L72-Q123 PolarHBondContact N-O 3.13Å; F82-Q123 WeakPolarHBondContact CZ-O 3.32Å; F118-Q123 HydrophobicContact CE2-CB 4.08Å; F118-Q123 HydrophobicContact CZ-CB 4.32Å; E120-Q123 PolarHBondContact OE1-NE2 3.48Å; G121-Q123 VanDerWaalsContact C-N 3.26Å; G121-Q123 VanDerWaalsContact C-OE1 3.25Å; G121-Q123 VanDerWaalsContact CA-OE1 3.22Å; G121-Q123 PolarHBondContact O-N 2.8Å |
| 124 | Y | 98.6 | Very high | 97.1 | Very high | 61 Ų | 61 | 49.4 Ų | 49.4 | 24% | 0.239 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -90.5 | 136.4 | -178.2 | -60 | -59.5 | 0 | 0 | 0 | 112.9 | L72 K74 K77 G121 R122 | L72-Y124 HydrophobicContact CB-CD1 4.13Å; L72-Y124 HydrophobicContact CB-CE1 4.29Å; L72-Y124 HydrophobicContact CD1-CE1 4.42Å; L72-Y124 CarbonylContact O-C 3.52Å; L72-Y124 WeakPolarHBondContact O-CA 3.26Å; K74-Y124 HydrophobicContact CB-CG 4.46Å; K74-Y124 HydrophobicContact CG-CG 4.29Å; K77-Y124 HydrophobicContact CD-CD1 4.47Å; K77-Y124 HydrophobicContact CD-CE1 3.73Å; K77-Y124 VanDerWaalsContact NZ-CZ 3.3Å; K77-Y124 PolarHBondContact NZ-OH 3.13Å; G121-Y124 PolarHBondContact O-N 3.2Å; R122-Y124 PolarHBondContact O-N 2.95Å |
| 125 | G | 97.9 | Very high | 97 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | trans | -53.4 | 142.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L72 G130 G131 | L72-G125 PolarHBondContact O-N 2.91Å; G125-G130 CarbonylContact C-O 3.46Å; G125-G130 WeakPolarHBondContact CA-O 3.36Å; G125-G131 CarbonylContact C-O 3.23Å; G125-G131 VanDerWaalsContact C-O 3.23Å; G125-G131 VanDerWaalsContact CA-O 3.24Å; G125-G131 WeakPolarHBondContact CA-O 3.21Å | ||
| 126 | R | 98.1 | Very high | 96.8 | Very high | 94 Ų | 94 | 49.8 Ų | 49.8 | 36% | 0.355 | 25% | 0.252 | S | S | . | . | trans | -106.8 | 6.5 | -175.8 | -59.6 | -179.6 | -176.5 | 172.2 | -5 | 113.4 | D21 H23 G131 V133 | D21-R126 IonicContact OD1-CZ 3.21Å; D21-R126 VanDerWaalsContact OD1-CZ 3.28Å; D21-R126 IonicContact OD1-NH1 3.26Å; D21-R126 PolarHBondContact OD1-NH1 3.39Å; D21-R126 IonicContact OD1-NH2 2.66Å; D21-R126 PolarHBondContact OD1-NH2 2.84Å; D21-R126 IonicContact OD2-CZ 2.87Å; D21-R126 IonicContact OD2-NH1 2.87Å; D21-R126 IonicContact OD2-NH2 3.36Å; D21-R126 PolarHBondContact OD2-NH2 2.92Å; H23-R126 PolarHBondContact ND1-NH1 3.41Å; R126-G131 PolarHBondContact N-O 2.86Å; R126-V133 HydrophobicContact CB-CG2 4.03Å; R126-V133 WeakPolarHBondContact O-CG2 3.3Å | ||
| 127 | G | 96.8 | Very high | 96.6 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 11% | 0.113 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -66.3 | 153.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | S129 G130 G131 E136 | G127-S129 PolarHBondContact O-N 3.03Å; G127-G130 PolarHBondContact O-N 3.28Å; G127-G131 WeakPolarHBondContact CA-O 3.45Å; G127-G131 PolarHBondContact N-O 3.18Å; G127-E136 VanDerWaalsContact C-OE1 3.23Å; G127-E136 WeakPolarHBondContact CA-OE1 3.19Å |
| 128 | K | 96 | Very high | 96.6 | Very high | 184 Ų | 184 | 55.7 Ų | 55.7 | 80% | 0.8 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -31.1 | -178.2 | -68.4 | -178 | 178.1 | 177.2 | 0 | 112.5 | E136 | K128-E136 PolarHBondContact N-OE1 3.23Š|
| 129 | S | 95.2 | Very high | 96.6 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -5.6 | 178.6 | 68.8 | 0 | 0 | 0 | 0 | 114.3 | G127 E136 | G127-S129 PolarHBondContact O-N 3.03Å; S129-E136 VanDerWaalsContact CB-OE1 3.25Å; S129-E136 WeakPolarHBondContact CB-OE1 3.41Å; S129-E136 PolarHBondContact N-OE1 3.32Å; S129-E136 PolarHBondContact OG-OE1 3.45Å |
| 130 | G | 96.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 109.7 | -29.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | D73 K74 G125 G127 | D73-G130 WeakPolarHBondContact CA-O 3.39Å; K74-G130 PolarHBondContact N-O 2.65Å; G125-G130 CarbonylContact C-O 3.46Å; G125-G130 WeakPolarHBondContact CA-O 3.36Å; G127-G130 PolarHBondContact O-N 3.28Å |
| 131 | G | 97.4 | Very high | 96.5 | Very high | 8 Ų | 8 | 60.2 Ų | 60.2 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -75.6 | -162.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D73 G125 R126 G127 | D73-G131 PolarHBondContact OD2-N 3.12Å; G125-G131 CarbonylContact C-O 3.23Å; G125-G131 VanDerWaalsContact C-O 3.23Å; G125-G131 VanDerWaalsContact CA-O 3.24Å; G125-G131 WeakPolarHBondContact CA-O 3.21Å; R126-G131 PolarHBondContact N-O 2.86Å; G127-G131 WeakPolarHBondContact CA-O 3.45Å; G127-G131 PolarHBondContact N-O 3.18Å |
| 132 | Q | 97.9 | Very high | 96.4 | Very high | 18 Ų | 18 | 59.5 Ų | 59.5 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | trans | -73.4 | 145.9 | 174.7 | -57.3 | -164.1 | -82.7 | 0 | 0 | 111.3 | Y42 C80 G81 F82 R134 D135 | Y42-Q132 PolarHBondContact OH-NE2 3.3Å; C80-Q132 VanDerWaalsContact O-CG 3.32Å; C80-Q132 WeakPolarHBondContact O-CG 3.39Å; C80-Q132 PolarHBondContact O-OE1 3.09Å; G81-Q132 PolarHBondContact O-OE1 2.98Å; F82-Q132 VanDerWaalsContact CD1-CD 3.5Å; F82-Q132 HydrophobicContact CD1-CG 3.72Å; F82-Q132 HydrophobicContact CE1-CG 4.13Å; Q132-R134 HydrophobicContact CB-CG 4.2Å; Q132-R134 PolarHBondContact O-N 3.34Å; Q132-R134 VanDerWaalsContact O-N 3.16Å; Q132-D135 PolarHBondContact O-N 3.01Å | ||
| 133 | V | 96.7 | Very high | 96.4 | Very high | 76 Ų | 76 | 61.8 Ų | 61.8 | 46% | 0.461 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.3 | -36.1 | 177.9 | 178.1 | 0 | 0 | 0 | 0 | 112 | R126 D135 E136 Y137 | R126-V133 HydrophobicContact CB-CG2 4.03Å; R126-V133 WeakPolarHBondContact O-CG2 3.3Å; V133-D135 VanDerWaalsContact C-N 3.3Å; V133-D135 PolarHBondContact O-N 3.17Å; V133-E136 WeakPolarHBondContact O-CB 3.29Å; V133-E136 PolarHBondContact O-N 2.95Å; V133-Y137 HydrophobicContact CG1-CE2 4.21Å; V133-Y137 WeakPolarHBondContact O-CD2 3.38Å |
| 134 | R | 94.9 | Very high | 96.3 | Very high | 102 Ų | 102 | 62 Ų | 62 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.6 | -34.7 | 178.4 | 82.9 | -172.7 | -162.7 | 154.9 | 20.4 | 112.9 | N45 Q132 E136 Y137 R138 | N45-R134 PolarHBondContact OD1-NH2 2.65Å; Q132-R134 HydrophobicContact CB-CG 4.2Å; Q132-R134 PolarHBondContact O-N 3.34Å; Q132-R134 VanDerWaalsContact O-N 3.16Å; R134-E136 PolarHBondContact O-N 2.82Å; R134-Y137 PolarHBondContact O-N 3.31Å; R134-R138 PolarHBondContact O-N 3.14Å |
| 135 | D | 96.4 | Very high | 96.2 | Very high | 11 Ų | 11 | 59.3 Ų | 59.3 | 6% | 0.059 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -78.6 | -10.3 | -176.9 | -64.4 | -43.4 | 0 | 0 | 0 | 111.4 | Q132 V133 R138 R145 G149 K150 | Q132-D135 PolarHBondContact O-N 3.01Å; V133-D135 VanDerWaalsContact C-N 3.3Å; V133-D135 PolarHBondContact O-N 3.17Å; D135-R138 IonicContact OD1-CZ 3.61Å; D135-R138 IonicContact OD1-NH1 2.74Å; D135-R138 PolarHBondContact OD1-NH1 3.44Å; D135-R145 IonicContact OD1-NH1 2.62Å; D135-R145 IonicContact OD2-NH1 3.93Å; D135-R145 PolarHBondContact OD2-NH1 2.79Å; D135-G149 WeakPolarHBondContact O-CA 3.42Å; D135-K150 PolarHBondContact O-N 3.47Å |
| 136 | E | 94.9 | Very high | 96 | Very high | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 171.7 | -62.1 | -68.2 | 168.9 | 0 | 0 | 111.5 | G127 K128 S129 V133 R134 K150 V151 | G127-E136 VanDerWaalsContact C-OE1 3.23Å; G127-E136 WeakPolarHBondContact CA-OE1 3.19Å; K128-E136 PolarHBondContact N-OE1 3.23Å; S129-E136 VanDerWaalsContact CB-OE1 3.25Å; S129-E136 WeakPolarHBondContact CB-OE1 3.41Å; S129-E136 PolarHBondContact N-OE1 3.32Å; S129-E136 PolarHBondContact OG-OE1 3.45Å; V133-E136 WeakPolarHBondContact O-CB 3.29Å; V133-E136 PolarHBondContact O-N 2.95Å; R134-E136 PolarHBondContact O-N 2.82Å; E136-K150 PolarHBondContact O-N 3.24Å; E136-K150 VanDerWaalsContact OE2-CB 3.3Å; E136-K150 WeakPolarHBondContact OE2-CB 3.35Å; E136-V151 WeakPolarHBondContact O-CB 3.48Å; E136-V151 WeakPolarHBondContact O-CG2 3.45Å; E136-V151 PolarHBondContact O-N 2.87Å |
| 137 | Y | 94.3 | Very high | 95.9 | Very high | 143 Ų | 143 | 57.3 Ų | 57.3 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -104.5 | 2.7 | -168.9 | -55.6 | -75.2 | 0 | 0 | 0 | 113.7 | V133 R134 Q139 V151 | V133-Y137 HydrophobicContact CG1-CE2 4.21Å; V133-Y137 WeakPolarHBondContact O-CD2 3.38Å; R134-Y137 PolarHBondContact O-N 3.31Å; Y137-Q139 PolarHBondContact O-N 3.39Å; Y137-V151 HydrophobicContact CD1-CG2 4.05Å; Y137-V151 HydrophobicContact CE1-CG2 4.19Å |
| 138 | R | 95 | Very high | 95.8 | Very high | 26 Ų | 26 | 62.7 Ų | 62.7 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | trans | -60.8 | 129.8 | 178.1 | -171.5 | 175.4 | 63.6 | -129.3 | -6.5 | 110.7 | R134 D135 D140 R145 G147 G149 | R134-R138 PolarHBondContact O-N 3.14Å; D135-R138 IonicContact OD1-CZ 3.61Å; D135-R138 IonicContact OD1-NH1 2.74Å; D135-R138 PolarHBondContact OD1-NH1 3.44Å; R138-D140 WeakPolarHBondContact CD-OD1 3.16Å; R138-D140 WeakPolarHBondContact CD-OD2 3.25Å; R138-D140 WeakPolarHBondContact CG-OD1 3.2Å; R138-D140 PolarHBondContact NE-O 3.16Å; R138-R145 VanDerWaalsContact CZ-CB 3.47Å; R138-R145 PolarHBondContact NH2-O 2.76Å; R138-G147 PolarHBondContact NH2-O 3.2Å; R138-G149 WeakPolarHBondContact O-CA 2.91Å; R138-G149 PolarHBondContact O-N 2.87Å; R138-G149 VanDerWaalsContact O-N 3.16Å | ||
| 139 | Q | 94.9 | Very high | 95.6 | Very high | 160 Ų | 160 | 53.9 Ų | 53.9 | 75% | 0.748 | 27% | 0.274 | S | S | * | . | trans | -94.2 | -32.3 | 178.4 | -64.8 | -176.5 | 2.3 | 0 | 0 | 112.6 | Y137 Y148 V152 | Y137-Q139 PolarHBondContact O-N 3.39Å; Q139-Y148 WeakPolarHBondContact O-CD1 3.33Å; Q139-V152 HydrophobicContact CG-CG2 4.46Å | ||
| 140 | D | 95 | Very high | 95.4 | Very high | 99 Ų | 99 | 55.4 Ų | 55.4 | 53% | 0.529 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -74.6 | 149.3 | 177.8 | 56.1 | -61.8 | 0 | 0 | 0 | 112.6 | R138 | R138-D140 WeakPolarHBondContact CD-OD1 3.16Å; R138-D140 WeakPolarHBondContact CD-OD2 3.25Å; R138-D140 WeakPolarHBondContact CG-OD1 3.2Å; R138-D140 PolarHBondContact NE-O 3.16Å |
| 141 | Y | 95.3 | Very high | 95 | Very high | 134 Ų | 134 | 59.1 Ų | 59.1 | 53% | 0.525 | 30% | 0.297 | S | S | . | . | trans | -81.1 | 121.1 | 172 | -176.2 | -95.5 | 0 | 0 | 0 | 109.6 | P143 Y148 | Y141-P143 HydrophobicContact CE1-CB 3.95Å; Y141-P143 HydrophobicContact CE1-CG 4.25Å; Y141-Y148 HydrophobicContact CD2-CD1 4.46Å; Y141-Y148 AromaticContact CD2-CD2 3.58Å; Y141-Y148 HydrophobicContact CD2-CD2 3.58Å; Y141-Y148 HydrophobicContact CD2-CE1 4.44Å; Y141-Y148 AromaticContact CD2-CE2 3.52Å; Y141-Y148 HydrophobicContact CD2-CE2 3.52Å; Y141-Y148 HydrophobicContact CD2-CG 4.05Å; Y141-Y148 AromaticContact CD2-CZ 3.98Å; Y141-Y148 HydrophobicContact CE2-CD2 4.32Å; Y141-Y148 HydrophobicContact CE2-CE2 4.33Å; Y141-Y148 HydrophobicContact CG-CE2 4.26Å | ||
| 142 | D | 96.7 | Very high | 94.5 | Very high | 21 Ų | 21 | 62.2 Ų | 62.2 | 11% | 0.112 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -128.7 | 104.7 | 176.1 | -178 | -14.5 | 0 | 0 | 0 | 109.2 | R108 A144 R145 G146 G147 | R108-D142 IonicContact CZ-OD2 3.94Å; R108-D142 VanDerWaalsContact CZ-OD2 3.23Å; R108-D142 VanDerWaalsContact NH1-CG 3.27Å; R108-D142 IonicContact NH1-OD1 2.92Å; R108-D142 PolarHBondContact NH1-OD1 3.4Å; R108-D142 IonicContact NH1-OD2 3.96Å; R108-D142 PolarHBondContact NH1-OD2 3.3Å; R108-D142 IonicContact NH2-OD2 3.07Å; R108-D142 PolarHBondContact NH2-OD2 3.46Å; D142-A144 VanDerWaalsContact C-N 3.29Å; D142-A144 PolarHBondContact O-N 3.48Å; D142-A144 PolarHBondContact OD1-N 3.26Å; D142-A144 VanDerWaalsContact OD1-N 3.14Å; D142-R145 HydrophobicContact CB-CB 3.92Å; D142-R145 HydrophobicContact CB-CG 4.26Å; D142-R145 CarbonylContact O-C 3.55Å; D142-R145 WeakPolarHBondContact O-CA 3.5Å; D142-R145 PolarHBondContact O-N 2.57Å; D142-R145 PolarHBondContact OD1-N 3.18Å; D142-R145 WeakPolarHBondContact OD2-CG 3.47Å; D142-G146 PolarHBondContact O-N 2.92Å; D142-G147 PolarHBondContact N-O 3.33Å; D142-G147 WeakPolarHBondContact O-CA 3.37Å; D142-G147 PolarHBondContact O-N 3.06Å |
| 143 | P | 96.5 | Very high | 93.5 | Very high | 78 Ų | 78 | 64.5 Ų | 64.5 | 51% | 0.506 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -64.7 | -33.7 | -175.7 | 24.8 | -32.7 | 0 | 0 | 0 | 112.3 | Y141 R145 G146 | Y141-P143 HydrophobicContact CE1-CB 3.95Å; Y141-P143 HydrophobicContact CE1-CG 4.25Å; P143-R145 PolarHBondContact O-N 2.99Å; P143-R145 VanDerWaalsContact O-N 3.11Å; P143-G146 PolarHBondContact O-N 3.4Å |
| 144 | A | 96.5 | Very high | 92.4 | Very high | 21 Ų | 21 | 68.9 Ų | 68.9 | 17% | 0.174 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -70.7 | -3.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F48 D142 | F48-A144 WeakPolarHBondContact CB-O 3.35Å; F48-A144 PolarHBondContact N-O 3.16Å; D142-A144 VanDerWaalsContact C-N 3.29Å; D142-A144 PolarHBondContact O-N 3.48Å; D142-A144 PolarHBondContact OD1-N 3.26Å; D142-A144 VanDerWaalsContact OD1-N 3.14Å |
| 145 | R | 96.7 | Very high | 90.6 | Very high | 5 Ų | 5 | 73.5 Ų | 73.5 | 2% | 0.019 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -127.6 | 26.8 | 177.8 | -65.9 | -68.2 | -167.7 | 147.2 | -16.8 | 112.8 | L46 F48 C80 G81 D135 R138 D142 P143 G147 | L46-R145 PolarHBondContact O-NE 2.97Å; L46-R145 PolarHBondContact O-NH2 2.78Å; F48-R145 HydrophobicContact CE1-CB 4.4Å; F48-R145 HydrophobicContact CE1-CG 4.48Å; F48-R145 HydrophobicContact CE2-CB 4.49Å; F48-R145 VanDerWaalsContact CE2-O 3.23Å; F48-R145 WeakPolarHBondContact CE2-O 3.42Å; F48-R145 HydrophobicContact CZ-CB 4.25Å; C80-R145 PolarHBondContact O-NH1 3.21Å; G81-R145 PolarHBondContact O-NH1 2.85Å; G81-R145 PolarHBondContact O-NH2 3.19Å; D135-R145 IonicContact OD1-NH1 2.62Å; D135-R145 IonicContact OD2-NH1 3.93Å; D135-R145 PolarHBondContact OD2-NH1 2.79Å; R138-R145 VanDerWaalsContact CZ-CB 3.47Å; R138-R145 PolarHBondContact NH2-O 2.76Å; D142-R145 HydrophobicContact CB-CB 3.92Å; D142-R145 HydrophobicContact CB-CG 4.26Å; D142-R145 CarbonylContact O-C 3.55Å; D142-R145 WeakPolarHBondContact O-CA 3.5Å; D142-R145 PolarHBondContact O-N 2.57Å; D142-R145 PolarHBondContact OD1-N 3.18Å; D142-R145 WeakPolarHBondContact OD2-CG 3.47Å; P143-R145 PolarHBondContact O-N 2.99Å; P143-R145 VanDerWaalsContact O-N 3.11Å; R145-G147 PolarHBondContact O-N 3.25Å |
| 146 | G | 94.3 | Very high | 90.3 | Very high | 52 Ų | 52 | 76.6 Ų | 76.6 | 54% | 0.536 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 15.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | D142 P143 | D142-G146 PolarHBondContact O-N 2.92Å; P143-G146 PolarHBondContact O-N 3.4Å |
| 147 | G | 95.4 | Very high | 90 | Very high | 4 Ų | 4 | 80.2 Ų | 80.2 | 4% | 0.041 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | 100.9 | -134.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | R138 D142 R145 | R138-G147 PolarHBondContact NH2-O 3.2Å; D142-G147 PolarHBondContact N-O 3.33Å; D142-G147 WeakPolarHBondContact O-CA 3.37Å; D142-G147 PolarHBondContact O-N 3.06Å; R145-G147 PolarHBondContact O-N 3.25Å |
| 148 | Y | 95.2 | Very high | 89.8 | Confident | 124 Ų | 124 | 76.7 Ų | 76.7 | 49% | 0.486 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -70.4 | 157.2 | 175.4 | -69.5 | -75.2 | 0 | 0 | 0 | 112.1 | Q139 Y141 V152 | Q139-Y148 WeakPolarHBondContact O-CD1 3.33Å; Y141-Y148 HydrophobicContact CD2-CD1 4.46Å; Y141-Y148 AromaticContact CD2-CD2 3.58Å; Y141-Y148 HydrophobicContact CD2-CD2 3.58Å; Y141-Y148 HydrophobicContact CD2-CE1 4.44Å; Y141-Y148 AromaticContact CD2-CE2 3.52Å; Y141-Y148 HydrophobicContact CD2-CE2 3.52Å; Y141-Y148 HydrophobicContact CD2-CG 4.05Å; Y141-Y148 AromaticContact CD2-CZ 3.98Å; Y141-Y148 HydrophobicContact CE2-CD2 4.32Å; Y141-Y148 HydrophobicContact CE2-CE2 4.33Å; Y141-Y148 HydrophobicContact CG-CE2 4.26Å; Y148-V152 HydrophobicContact CD1-CG1 4.17Å; Y148-V152 HydrophobicContact CG-CG1 4.38Å |
| 149 | G | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 43% | 0.429 | C | S | . | . | trans | -64.5 | 156.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D135 R138 V151 V152 S153 | D135-G149 WeakPolarHBondContact O-CA 3.42Å; R138-G149 WeakPolarHBondContact O-CA 2.91Å; R138-G149 PolarHBondContact O-N 2.87Å; R138-G149 VanDerWaalsContact O-N 3.16Å; G149-V151 VanDerWaalsContact C-N 3.34Å; G149-V151 PolarHBondContact O-N 3.36Å; G149-V152 PolarHBondContact O-N 3.1Å; G149-V152 VanDerWaalsContact O-N 3.1Å; G149-S153 PolarHBondContact O-N 2.94Å; G149-S153 PolarHBondContact O-OG 3.47Å | ||
| 150 | K | 90.5 | Very high | 89.2 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 31% | 0.309 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -31.9 | -168.6 | -60.6 | -58.7 | -178.7 | -159.4 | 0 | 115 | D135 E136 S153 R154 | D135-K150 PolarHBondContact O-N 3.47Å; E136-K150 PolarHBondContact O-N 3.24Å; E136-K150 VanDerWaalsContact OE2-CB 3.3Å; E136-K150 WeakPolarHBondContact OE2-CB 3.35Å; K150-S153 WeakPolarHBondContact CA-OG 3.3Å; K150-S153 PolarHBondContact O-OG 3.17Å; K150-R154 WeakPolarHBondContact O-CG 3.36Å; K150-R154 PolarHBondContact O-N 3.44Å |
| 151 | V | 88.1 | Confident | 88.8 | Confident | 81 Ų | 81 | 73.1 Ų | 73.1 | 49% | 0.491 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -38.5 | 175.9 | 174 | 0 | 0 | 0 | 0 | 110.5 | E136 Y137 G149 | E136-V151 WeakPolarHBondContact O-CB 3.48Å; E136-V151 WeakPolarHBondContact O-CG2 3.45Å; E136-V151 PolarHBondContact O-N 2.87Å; Y137-V151 HydrophobicContact CD1-CG2 4.05Å; Y137-V151 HydrophobicContact CE1-CG2 4.19Å; G149-V151 VanDerWaalsContact C-N 3.34Å; G149-V151 PolarHBondContact O-N 3.36Å |
| 152 | V | 86.3 | Confident | 88.3 | Confident | 73 Ų | 73 | 68.7 Ų | 68.7 | 44% | 0.442 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -32.7 | 179.5 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | Q139 Y148 G149 R154 | Q139-V152 HydrophobicContact CG-CG2 4.46Å; Y148-V152 HydrophobicContact CD1-CG1 4.17Å; Y148-V152 HydrophobicContact CG-CG1 4.38Å; G149-V152 PolarHBondContact O-N 3.1Å; G149-V152 VanDerWaalsContact O-N 3.1Å; V152-R154 PolarHBondContact O-N 3.3Å |
| 153 | S | 78.1 | Confident | 87.7 | Confident | 66 Ų | 66 | 72.4 Ų | 72.4 | 46% | 0.462 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -4.5 | 178.4 | 73 | 0 | 0 | 0 | 0 | 114.1 | G149 K150 | G149-S153 PolarHBondContact O-N 2.94Å; G149-S153 PolarHBondContact O-OG 3.47Å; K150-S153 WeakPolarHBondContact CA-OG 3.3Å; K150-S153 PolarHBondContact O-OG 3.17Å |
| 154 | R | 73.7 | Confident | 86.9 | Confident | 168 Ų | 168 | 71.9 Ų | 71.9 | 63% | 0.634 | 41% | 0.407 | S | S | * | . | trans | -79.5 | 127.1 | 174.4 | -79.8 | 171.6 | -170.8 | -151.8 | 0.1 | 108 | K150 V152 | K150-R154 WeakPolarHBondContact O-CG 3.36Å; K150-R154 PolarHBondContact O-N 3.44Å; V152-R154 PolarHBondContact O-N 3.3Å | ||
| 155 | P | 56.3 | Low | 86.1 | Confident | 198 Ų | 198 | 76.5 Ų | 76.5 | 100% | 1.286 | 43% | 0.428 | S | S | * | . | trans | -61.5 | 0 | 173.2 | 27.5 | -33.3 | 0 | 0 | 0 | 111.7 |
Retrieved 155 of 155 residues in 210.1 ms
(Link to these results)