| 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 | 66.8 | Low | 69.6 | Low | 209 Ų | 209 | 134.5 Ų | 134.5 | 100% | 1.03 | 64% | 0.641 | S | S | * | * | 0 | -39.3 | 0 | -66 | -171.4 | 73.1 | 0 | 0 | 112.2 | E3 D4 D5 | M1-E3 PolarHBondContact O-N 3Å; M1-D4 PolarHBondContact O-N 3.02Å; M1-D5 PolarHBondContact O-N 2.91Å | |||
| 2 | I | 76.9 | Confident | 68.8 | Low | 129 Ų | 129 | 135.4 Ų | 135.4 | 66% | 0.662 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.1 | -30.7 | 179.5 | -162.5 | 143.3 | 0 | 0 | 0 | 114.7 | D5 I6 | I2-D5 PolarHBondContact O-N 3.23Å; I2-I6 HydrophobicContact CG1-CD1 4.23Å; I2-I6 WeakPolarHBondContact O-CG1 3.5Å; I2-I6 PolarHBondContact O-N 2.63Å; I2-I6 VanDerWaalsContact O-N 3.07Å |
| 3 | E | 71.2 | Confident | 68.1 | Low | 147 Ų | 147 | 133.2 Ų | 133.2 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.9 | -37.7 | 177.4 | -112.2 | -178.3 | 170.8 | 0 | 0 | 112.9 | M1 R7 | M1-E3 PolarHBondContact O-N 3Å; E3-R7 VanDerWaalsContact O-CB 3.31Å; E3-R7 WeakPolarHBondContact O-CB 3.27Å; E3-R7 PolarHBondContact O-N 2.94Å; E3-R7 VanDerWaalsContact O-N 3.08Å |
| 4 | D | 74.1 | Confident | 67.2 | Low | 99 Ų | 99 | 128 Ų | 128 | 53% | 0.529 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -71.9 | -37.2 | 177.1 | -69 | -37 | 0 | 0 | 0 | 111 | M1 R7 E8 | M1-D4 PolarHBondContact O-N 3.02Å; D4-R7 WeakPolarHBondContact O-CB 3.46Å; D4-R7 PolarHBondContact O-N 3.06Å; D4-E8 WeakPolarHBondContact O-CB 3.36Å; D4-E8 PolarHBondContact O-N 3.21Å |
| 5 | D | 73.3 | Confident | 67.2 | Low | 89 Ų | 89 | 128.9 Ų | 128.9 | 48% | 0.476 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -61.9 | -47.1 | 177.3 | -150.5 | 36.3 | 0 | 0 | 0 | 111.1 | M1 I2 R7 E8 H9 | M1-D5 PolarHBondContact O-N 2.91Å; I2-D5 PolarHBondContact O-N 3.23Å; D5-R7 VanDerWaalsContact C-N 3.33Å; D5-R7 PolarHBondContact O-N 3.18Å; D5-E8 PolarHBondContact O-N 3.18Å; D5-H9 PolarHBondContact O-CD2 2.89Å; D5-H9 PolarHBondContact O-N 3.39Å; D5-H9 VanDerWaalsContact O-N 3.1Å |
| 6 | I | 71.6 | Confident | 66.8 | Low | 99 Ų | 99 | 127.2 Ų | 127.2 | 51% | 0.508 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -63.9 | -41.1 | 175 | -63.5 | 166.9 | 0 | 0 | 0 | 110.5 | I2 E8 H9 I10 | I2-I6 HydrophobicContact CG1-CD1 4.23Å; I2-I6 WeakPolarHBondContact O-CG1 3.5Å; I2-I6 PolarHBondContact O-N 2.63Å; I2-I6 VanDerWaalsContact O-N 3.07Å; I6-E8 VanDerWaalsContact C-N 3.34Å; I6-E8 PolarHBondContact O-N 2.85Å; I6-H9 PolarHBondContact O-N 3.16Å; I6-I10 HydrophobicContact CG2-CG2 4.41Å; I6-I10 WeakPolarHBondContact O-CG1 3.4Å; I6-I10 PolarHBondContact O-N 2.98Å |
| 7 | R | 72.5 | Confident | 66.7 | Low | 144 Ų | 144 | 125.7 Ų | 125.7 | 54% | 0.543 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -64 | -38.8 | 179.9 | -171.1 | -179.2 | -59.8 | 177.4 | 4 | 112.2 | E3 D4 D5 I10 K11 | E3-R7 VanDerWaalsContact O-CB 3.31Å; E3-R7 WeakPolarHBondContact O-CB 3.27Å; E3-R7 PolarHBondContact O-N 2.94Å; E3-R7 VanDerWaalsContact O-N 3.08Å; D4-R7 WeakPolarHBondContact O-CB 3.46Å; D4-R7 PolarHBondContact O-N 3.06Å; D5-R7 VanDerWaalsContact C-N 3.33Å; D5-R7 PolarHBondContact O-N 3.18Å; R7-I10 VanDerWaalsContact O-CG1 3.26Å; R7-I10 WeakPolarHBondContact O-CG1 3.48Å; R7-K11 VanDerWaalsContact O-CB 3.29Å; R7-K11 WeakPolarHBondContact O-CB 3.36Å; R7-K11 PolarHBondContact O-N 2.94Å |
| 8 | E | 71.1 | Confident | 67 | Low | 144 Ų | 144 | 122.6 Ų | 122.6 | 67% | 0.673 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.2 | -43.1 | 176.6 | -170.2 | 163.8 | -170.8 | 0 | 0 | 110.9 | D4 D5 I6 K11 D12 | D4-E8 WeakPolarHBondContact O-CB 3.36Å; D4-E8 PolarHBondContact O-N 3.21Å; D5-E8 PolarHBondContact O-N 3.18Å; I6-E8 VanDerWaalsContact C-N 3.34Å; I6-E8 PolarHBondContact O-N 2.85Å; E8-K11 PolarHBondContact O-N 3Å; E8-D12 PolarHBondContact O-N 2.8Å |
| 9 | H | 63.1 | Low | 67 | Low | 129 Ų | 129 | 123.1 Ų | 123.1 | 60% | 0.597 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.5 | -39 | 177.5 | -74.9 | -56.4 | 0 | 0 | 0 | 114.3 | D5 I6 K11 | D5-H9 PolarHBondContact O-CD2 2.89Å; D5-H9 PolarHBondContact O-N 3.39Å; D5-H9 VanDerWaalsContact O-N 3.1Å; I6-H9 PolarHBondContact O-N 3.16Å; H9-K11 VanDerWaalsContact C-N 3.34Å |
| 10 | I | 62.7 | Low | 67.3 | Low | 114 Ų | 114 | 124.4 Ų | 124.4 | 59% | 0.585 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74 | -26.8 | 176.7 | 62.7 | -177.2 | 0 | 0 | 0 | 112.6 | I6 R7 D12 C13 | I6-I10 HydrophobicContact CG2-CG2 4.41Å; I6-I10 WeakPolarHBondContact O-CG1 3.4Å; I6-I10 PolarHBondContact O-N 2.98Å; R7-I10 VanDerWaalsContact O-CG1 3.26Å; R7-I10 WeakPolarHBondContact O-CG1 3.48Å; I10-D12 VanDerWaalsContact C-N 3.29Å; I10-D12 PolarHBondContact O-N 3.25Å; I10-C13 PolarHBondContact O-N 3.37Å |
| 11 | K | 62.4 | Low | 67.4 | Low | 176 Ų | 176 | 122.7 Ų | 122.7 | 77% | 0.765 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.9 | -28.8 | -177 | -162.1 | 174.5 | -175 | -175.9 | 0 | 111.8 | R7 E8 H9 C13 | R7-K11 VanDerWaalsContact O-CB 3.29Å; R7-K11 WeakPolarHBondContact O-CB 3.36Å; R7-K11 PolarHBondContact O-N 2.94Å; E8-K11 PolarHBondContact O-N 3Å; H9-K11 VanDerWaalsContact C-N 3.34Å; K11-C13 VanDerWaalsContact C-N 3.31Å |
| 12 | D | 60.3 | Low | 67.3 | Low | 146 Ų | 146 | 114.5 Ų | 114.5 | 78% | 0.781 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -74.8 | -20.3 | 177.4 | -156.6 | 32.6 | 0 | 0 | 0 | 112.9 | E8 I10 G14 | E8-D12 PolarHBondContact O-N 2.8Å; I10-D12 VanDerWaalsContact C-N 3.29Å; I10-D12 PolarHBondContact O-N 3.25Å; D12-G14 PolarHBondContact O-N 3.3Å |
| 13 | C | 59.1 | Low | 66.9 | Low | 106 Ų | 106 | 114.2 Ų | 114.2 | 72% | 0.716 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 13.8 | 174.9 | -69.8 | 0 | 0 | 0 | 0 | 114.3 | I10 K11 E15 | I10-C13 PolarHBondContact O-N 3.37Å; K11-C13 VanDerWaalsContact C-N 3.31Å; C13-E15 PolarHBondContact O-N 2.94Å; C13-E15 VanDerWaalsContact O-N 3.13Å |
| 14 | G | 55.8 | Low | 66.8 | Low | 61 Ų | 61 | 114 Ų | 114 | 63% | 0.629 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -1.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D12 P16 | D12-G14 PolarHBondContact O-N 3.3Å; G14-P16 WeakPolarHBondContact O-CD 3.21Å |
| 15 | E | 67 | Low | 66.3 | Low | 141 Ų | 141 | 113.1 Ų | 113.1 | 66% | 0.659 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -63.7 | 120.3 | 174.5 | -158.5 | 175.9 | -139.9 | 0 | 0 | 109.2 | C13 F17 K21 | C13-E15 PolarHBondContact O-N 2.94Å; C13-E15 VanDerWaalsContact O-N 3.13Å; E15-F17 PolarHBondContact O-N 3.46Å; E15-F17 VanDerWaalsContact O-N 3.1Å; E15-K21 IonicContact OE2-NZ 3.44Å; E15-K21 PolarHBondContact OE2-NZ 3.1Å |
| 16 | P | 61.8 | Low | 65.8 | Low | 102 Ų | 102 | 114.1 Ų | 114.1 | 66% | 0.662 | 58% | 0.58 | S | S | * | * | trans | -56.6 | 122 | 177.3 | -21.2 | 31.5 | 0 | 0 | 0 | 109 | G14 T18 | G14-P16 WeakPolarHBondContact O-CD 3.21Å; P16-T18 PolarHBondContact O-N 2.96Å | ||
| 17 | F | 63.8 | Low | 65.4 | Low | 102 Ų | 102 | 117.2 Ų | 117.2 | 45% | 0.447 | 59% | 0.592 | S | S | . | * | trans | -66.9 | 105.7 | 168.8 | -152.7 | -91.2 | 0 | 0 | 0 | 107.2 | E15 K21 L22 L25 | E15-F17 PolarHBondContact O-N 3.46Å; E15-F17 VanDerWaalsContact O-N 3.1Å; F17-K21 HydrophobicContact CE2-CD 4.35Å; F17-K21 HydrophobicContact CZ-CG 4.41Å; F17-L22 HydrophobicContact CD1-CB 4.48Å; F17-L22 HydrophobicContact CE1-CB 3.89Å; F17-L22 HydrophobicContact CE1-CD1 3.95Å; F17-L25 HydrophobicContact CZ-CD1 4.01Å | ||
| 18 | T | 72.1 | Confident | 64.5 | Low | 69 Ų | 69 | 114.2 Ų | 114.2 | 42% | 0.423 | 59% | 0.593 | S | S | . | * | trans | -80.7 | 152.2 | -178.7 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | P16 E20 K21 L22 | P16-T18 PolarHBondContact O-N 2.96Å; T18-E20 PolarHBondContact O-N 2.82Å; T18-K21 PolarHBondContact O-N 2.99Å; T18-K21 PolarHBondContact OG1-N 2.93Å; T18-L22 PolarHBondContact O-N 3.07Å | ||
| 19 | N | 67 | Low | 63.7 | Low | 132 Ų | 132 | 111.8 Ų | 111.8 | 71% | 0.706 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.1 | -32.8 | 174 | -68.6 | -42.1 | 0 | 0 | 0 | 111.8 | L22 E23 | N19-L22 WeakPolarHBondContact O-CB 2.86Å; N19-L22 PolarHBondContact O-N 3.07Å; N19-E23 PolarHBondContact O-N 3.33Å |
| 20 | E | 73.6 | Confident | 63.3 | Low | 149 Ų | 149 | 110.8 Ų | 110.8 | 70% | 0.696 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.2 | -45.7 | 173.8 | -84.9 | 177.7 | 158.5 | 0 | 0 | 112.1 | T18 L22 E23 E24 | T18-E20 PolarHBondContact O-N 2.82Å; E20-L22 PolarHBondContact O-N 3.35Å; E20-E23 CarbonylContact O-C 3.6Å; E20-E23 PolarHBondContact O-N 3.46Å; E20-E23 VanDerWaalsContact O-N 3.11Å; E20-E24 PolarHBondContact O-N 3.33Å |
| 21 | K | 68.8 | Low | 62.7 | Low | 90 Ų | 90 | 113.7 Ų | 113.7 | 39% | 0.391 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.4 | -32.8 | 178 | -166.1 | 167.9 | -175.7 | 166.5 | 0 | 111.8 | E15 F17 T18 L25 | E15-K21 IonicContact OE2-NZ 3.44Å; E15-K21 PolarHBondContact OE2-NZ 3.1Å; F17-K21 HydrophobicContact CE2-CD 4.35Å; F17-K21 HydrophobicContact CZ-CG 4.41Å; T18-K21 PolarHBondContact O-N 2.99Å; T18-K21 PolarHBondContact OG1-N 2.93Å; K21-L25 WeakPolarHBondContact O-CG 3.39Å; K21-L25 PolarHBondContact O-N 2.78Å |
| 22 | L | 65.8 | Low | 62.2 | Low | 37 Ų | 37 | 109.7 Ų | 109.7 | 19% | 0.194 | 60% | 0.604 | C | S | . | * | H | α-helix | trans | -69.9 | -44.2 | 172.4 | -172 | 68.2 | 0 | 0 | 0 | 111.6 | F17 T18 N19 E20 L25 M26 T54 | F17-L22 HydrophobicContact CD1-CB 4.48Å; F17-L22 HydrophobicContact CE1-CB 3.89Å; F17-L22 HydrophobicContact CE1-CD1 3.95Å; T18-L22 PolarHBondContact O-N 3.07Å; N19-L22 WeakPolarHBondContact O-CB 2.86Å; N19-L22 PolarHBondContact O-N 3.07Å; E20-L22 PolarHBondContact O-N 3.35Å; L22-L25 PolarHBondContact O-N 3.47Å; L22-M26 WeakPolarHBondContact O-CG 3.36Å; L22-M26 PolarHBondContact O-N 3.44Å; L22-T54 HydrophobicContact CD2-CG2 4.06Å |
| 23 | E | 68.9 | Low | 61.8 | Low | 123 Ų | 123 | 110.4 Ų | 110.4 | 58% | 0.575 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.7 | -38.2 | 177.3 | -78.6 | -171.7 | 174.4 | 0 | 0 | 112.4 | N19 E20 L25 M26 Q27 | N19-E23 PolarHBondContact O-N 3.33Å; E20-E23 CarbonylContact O-C 3.6Å; E20-E23 PolarHBondContact O-N 3.46Å; E20-E23 VanDerWaalsContact O-N 3.11Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L25 PolarHBondContact O-N 3.46Å; E23-M26 CarbonylContact O-C 3.5Å; E23-M26 WeakPolarHBondContact O-CA 3.35Å; E23-M26 WeakPolarHBondContact O-CB 3.37Å; E23-M26 PolarHBondContact O-N 3.1Å; E23-M26 VanDerWaalsContact O-N 3.07Å; E23-Q27 WeakPolarHBondContact O-CB 3.28Å; E23-Q27 WeakPolarHBondContact O-CG 3.38Å; E23-Q27 PolarHBondContact O-N 3.02Å |
| 24 | E | 68.4 | Low | 61.3 | Low | 141 Ų | 141 | 112.1 Ų | 112.1 | 66% | 0.659 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.1 | -43.7 | 173.6 | -81.3 | -173.9 | 158.7 | 0 | 0 | 111.6 | E20 M26 Q27 S28 | E20-E24 PolarHBondContact O-N 3.33Å; E24-M26 PolarHBondContact O-N 3.38Å; E24-Q27 CarbonylContact O-C 3.47Å; E24-Q27 PolarHBondContact O-N 3.07Å; E24-Q27 VanDerWaalsContact O-N 3.1Å; E24-S28 PolarHBondContact O-N 3.4Å |
| 25 | L | 62.8 | Low | 61.2 | Low | 81 Ų | 81 | 115.8 Ų | 115.8 | 42% | 0.424 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.6 | -27.8 | 174.7 | -69.5 | 172.1 | 0 | 0 | 0 | 112.5 | F17 K21 L22 E23 S28 L50 | F17-L25 HydrophobicContact CZ-CD1 4.01Å; K21-L25 WeakPolarHBondContact O-CG 3.39Å; K21-L25 PolarHBondContact O-N 2.78Å; L22-L25 PolarHBondContact O-N 3.47Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L25 PolarHBondContact O-N 3.46Å; L25-S28 PolarHBondContact O-OG 3.34Å; L25-L50 WeakPolarHBondContact O-CD1 3.4Å |
| 26 | M | 62.5 | Low | 60.6 | Low | 110 Ų | 110 | 114.5 Ų | 114.5 | 54% | 0.542 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -76.3 | -31.8 | 171.6 | -67.5 | 176.9 | 60 | 0 | 0 | 112.5 | L22 E23 E24 S28 L50 | L22-M26 WeakPolarHBondContact O-CG 3.36Å; L22-M26 PolarHBondContact O-N 3.44Å; E23-M26 CarbonylContact O-C 3.5Å; E23-M26 WeakPolarHBondContact O-CA 3.35Å; E23-M26 WeakPolarHBondContact O-CB 3.37Å; E23-M26 PolarHBondContact O-N 3.1Å; E23-M26 VanDerWaalsContact O-N 3.07Å; E24-M26 PolarHBondContact O-N 3.38Å; M26-S28 VanDerWaalsContact C-N 3.28Å; M26-L50 HydrophobicContact CG-CD1 4.45Å |
| 27 | Q | 64.4 | Low | 60.5 | Low | 165 Ų | 165 | 117.2 Ų | 117.2 | 77% | 0.771 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -80.8 | -5.2 | 176.9 | -70.5 | -106.5 | -15.8 | 0 | 0 | 113 | E23 E24 P29 | E23-Q27 WeakPolarHBondContact O-CB 3.28Å; E23-Q27 WeakPolarHBondContact O-CG 3.38Å; E23-Q27 PolarHBondContact O-N 3.02Å; E24-Q27 CarbonylContact O-C 3.47Å; E24-Q27 PolarHBondContact O-N 3.07Å; E24-Q27 VanDerWaalsContact O-N 3.1Å; Q27-P29 WeakPolarHBondContact O-CD 3.35Å |
| 28 | S | 52.6 | Low | 59.8 | Low | 80 Ų | 80 | 120.7 Ų | 120.7 | 56% | 0.559 | 64% | 0.64 | S | S | * | * | trans | -94.6 | 70 | 167.2 | 59.6 | 0 | 0 | 0 | 0 | 112.7 | E24 L25 M26 | E24-S28 PolarHBondContact O-N 3.4Å; L25-S28 PolarHBondContact O-OG 3.34Å; M26-S28 VanDerWaalsContact C-N 3.28Å | ||
| 29 | P | 53.9 | Low | 58.8 | Low | 93 Ų | 93 | 122.7 Ų | 122.7 | 60% | 0.604 | 65% | 0.648 | S | S | * | * | trans | -94 | 126.6 | 156.6 | 33.9 | -24 | 0 | 0 | 0 | 109.5 | Q27 | Q27-P29 WeakPolarHBondContact O-CD 3.35Š| ||
| 30 | T | 56.2 | Low | 58.4 | Low | 108 Ų | 108 | 122.4 Ų | 122.4 | 66% | 0.663 | 65% | 0.651 | S | S | * | * | trans | 74.9 | 63.1 | 143.1 | -39.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 31 | D | 49.5 | Very low | 57.3 | Low | 176 Ų | 176 | 122.4 Ų | 122.4 | 94% | 0.941 | 66% | 0.656 | S | S | * | * | trans | -88.8 | 21.1 | 142.6 | -100 | 0.1 | 0 | 0 | 0 | 110.6 | D33 | D31-D33 PolarHBondContact O-N 2.82Š| ||
| 32 | S | 51.7 | Low | 56.6 | Low | 92 Ų | 92 | 120.6 Ų | 120.6 | 64% | 0.643 | 66% | 0.658 | S | S | * | * | trans | -88 | 83 | 171 | 67.6 | 0 | 0 | 0 | 0 | 108.6 | D34 | S32-D34 PolarHBondContact O-N 3.18Š| ||
| 33 | D | 51.5 | Low | 55.8 | Low | 160 Ų | 160 | 128.2 Ų | 128.2 | 86% | 0.856 | 68% | 0.684 | S | S | * | * | trans | -52.7 | 116.1 | 155.7 | -86.9 | -29.1 | 0 | 0 | 0 | 108.5 | D31 | D31-D33 PolarHBondContact O-N 2.82Š| ||
| 34 | D | 50 | Low | 55.1 | Low | 142 Ų | 142 | 125.1 Ų | 125.1 | 76% | 0.759 | 67% | 0.674 | S | S | * | * | trans | 38.6 | 89.4 | 135.4 | -156.1 | 24.9 | 0 | 0 | 0 | 117.1 | S32 | S32-D34 PolarHBondContact O-N 3.18Š| ||
| 35 | D | 53.1 | Low | 54.4 | Low | 138 Ų | 138 | 124.4 Ų | 124.4 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | trans | -147.6 | 107.1 | 139.4 | -152.2 | 2.3 | 0 | 0 | 0 | 110.3 | M37 | D35-M37 PolarHBondContact O-N 3.42Š| ||
| 36 | V | 54.6 | Low | 54.2 | Low | 115 Ų | 115 | 124.5 Ų | 124.5 | 70% | 0.697 | 69% | 0.689 | S | S | * | * | trans | -64.2 | 98.5 | 173 | 168.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 37 | M | 59.1 | Low | 54.3 | Low | 158 Ų | 158 | 123.1 Ų | 123.1 | 78% | 0.778 | 68% | 0.683 | S | S | * | * | trans | -116.1 | 91.7 | 162.2 | -62.3 | -60 | -79.5 | 0 | 0 | 108.5 | D35 D39 | D35-M37 PolarHBondContact O-N 3.42Å; M37-D39 PolarHBondContact O-N 2.82Å | ||
| 38 | E | 49.2 | Very low | 54.5 | Low | 175 Ų | 175 | 122.1 Ų | 122.1 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | trans | -61.6 | 89.5 | 168.5 | -177 | -178.2 | -173.5 | 0 | 0 | 109.5 | ||||
| 39 | D | 52 | Low | 55.8 | Low | 112 Ų | 112 | 121.7 Ų | 121.7 | 60% | 0.599 | 67% | 0.667 | S | S | * | * | trans | -131.2 | 84.2 | 161.5 | -167.3 | 17.9 | 0 | 0 | 0 | 108.5 | M37 D41 | M37-D39 PolarHBondContact O-N 2.82Å; D39-D41 PolarHBondContact O-N 3.05Å | ||
| 40 | T | 56.9 | Low | 57.1 | Low | 125 Ų | 125 | 120.3 Ų | 120.3 | 77% | 0.767 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 3.5 | -170.7 | 38.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 41 | D | 51 | Low | 58.3 | Low | 150 Ų | 150 | 122.9 Ų | 122.9 | 80% | 0.802 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | -12 | 179.3 | -77.2 | -31.2 | 0 | 0 | 0 | 114.7 | D39 R43 | D39-D41 PolarHBondContact O-N 3.05Å; D41-R43 PolarHBondContact O-N 2.99Å |
| 42 | A | 53.7 | Low | 60 | Low | 52 Ų | 52 | 119.4 Ų | 119.4 | 43% | 0.43 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -74.8 | 81.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | T44 | A42-T44 WeakPolarHBondContact O-CG2 3.36Å; A42-T44 PolarHBondContact O-N 3.39Å |
| 43 | R | 49.1 | Very low | 61.6 | Low | 197 Ų | 197 | 116.6 Ų | 116.6 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | trans | -58.9 | 87.3 | 167.3 | -168.9 | -179.8 | -167.3 | -172.8 | 6.6 | 106.5 | D41 D47 | D41-R43 PolarHBondContact O-N 2.99Å; R43-D47 WeakPolarHBondContact CG-OD2 3.44Å | ||
| 44 | T | 54.3 | Low | 63.2 | Low | 58 Ų | 58 | 111.2 Ų | 111.2 | 36% | 0.356 | 59% | 0.586 | S | S | . | * | trans | -57.8 | 136.2 | -171.1 | 58.8 | 0 | 0 | 0 | 0 | 105.8 | A42 S46 D47 | A42-T44 WeakPolarHBondContact O-CG2 3.36Å; A42-T44 PolarHBondContact O-N 3.39Å; T44-S46 WeakPolarHBondContact CB-OG 3.4Å; T44-S46 PolarHBondContact O-N 3.26Å; T44-S46 VanDerWaalsContact OG1-CB 3.27Å; T44-S46 WeakPolarHBondContact OG1-CB 3.21Å; T44-D47 WeakPolarHBondContact O-CB 3.35Å; T44-D47 PolarHBondContact O-N 2.93Å | ||
| 45 | P | 54.9 | Low | 65 | Low | 125 Ų | 125 | 107.3 Ų | 107.3 | 81% | 0.812 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -50.1 | -24.3 | 167.2 | -25.7 | 34.3 | 0 | 0 | 0 | 111 | D47 W48 | P45-D47 PolarHBondContact O-N 3.24Å; P45-D47 VanDerWaalsContact O-N 3.16Å; P45-W48 PolarHBondContact O-N 3.25Å |
| 46 | S | 58.5 | Low | 66.7 | Low | 84 Ų | 84 | 105.6 Ų | 105.6 | 59% | 0.587 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -56.3 | -10.9 | 169.2 | -28.1 | 0 | 0 | 0 | 0 | 116.1 | T44 W48 | T44-S46 WeakPolarHBondContact CB-OG 3.4Å; T44-S46 PolarHBondContact O-N 3.26Å; T44-S46 VanDerWaalsContact OG1-CB 3.27Å; T44-S46 WeakPolarHBondContact OG1-CB 3.21Å; S46-W48 VanDerWaalsContact O-CD1 3.23Å; S46-W48 PolarHBondContact O-N 2.87Å |
| 47 | D | 63.3 | Low | 68.3 | Low | 80 Ų | 80 | 105.5 Ų | 105.5 | 43% | 0.428 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -73.6 | 3.3 | 172.4 | -88 | -1.3 | 0 | 0 | 0 | 114.8 | R43 T44 P45 T49 K52 | R43-D47 WeakPolarHBondContact CG-OD2 3.44Å; T44-D47 WeakPolarHBondContact O-CB 3.35Å; T44-D47 PolarHBondContact O-N 2.93Å; P45-D47 PolarHBondContact O-N 3.24Å; P45-D47 VanDerWaalsContact O-N 3.16Å; D47-T49 PolarHBondContact O-N 3.31Å; D47-K52 PolarHBondContact O-NZ 3.49Å |
| 48 | W | 68.8 | Low | 69.8 | Low | 145 Ų | 145 | 107.2 Ų | 107.2 | 55% | 0.549 | 55% | 0.547 | S | S | . | . | trans | -62.6 | 87.4 | 159.2 | 70.3 | -50.7 | 0 | 0 | 0 | 108.9 | P45 S46 L53 | P45-W48 PolarHBondContact O-N 3.25Å; S46-W48 VanDerWaalsContact O-CD1 3.23Å; S46-W48 PolarHBondContact O-N 2.87Å; W48-L53 HydrophobicContact CD2-CD1 4.1Å; W48-L53 HydrophobicContact CD2-CD2 4.46Å; W48-L53 HydrophobicContact CD2-CG 4.13Å; W48-L53 HydrophobicContact CE3-CD1 3.15Å; W48-L53 HydrophobicContact CE3-CD2 3.21Å; W48-L53 HydrophobicContact CE3-CG 3.12Å; W48-L53 HydrophobicContact CH2-CD1 3.58Å; W48-L53 HydrophobicContact CH2-CG 4.47Å; W48-L53 HydrophobicContact CZ2-CD1 4.48Å; W48-L53 HydrophobicContact CZ3-CD1 2.88Å; W48-L53 HydrophobicContact CZ3-CD2 3.43Å; W48-L53 VanDerWaalsContact CZ3-CD2 3.43Å; W48-L53 HydrophobicContact CZ3-CG 3.39Å | ||
| 49 | T | 80.4 | Confident | 71.9 | Confident | 70 Ų | 70 | 104.9 Ų | 104.9 | 43% | 0.429 | 54% | 0.536 | S | S | . | . | trans | -59.3 | 144.2 | 168.7 | 59.8 | 0 | 0 | 0 | 0 | 108.9 | D47 Q51 K52 L53 | D47-T49 PolarHBondContact O-N 3.31Å; T49-Q51 PolarHBondContact O-N 3.11Å; T49-K52 WeakPolarHBondContact O-CA 3.32Å; T49-K52 WeakPolarHBondContact O-CB 3.44Å; T49-K52 PolarHBondContact O-N 3.08Å; T49-L53 PolarHBondContact O-N 3.21Å | ||
| 50 | L | 81.2 | Confident | 73.6 | Confident | 65 Ų | 65 | 102.1 Ų | 102.1 | 34% | 0.34 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -49.9 | -30.6 | 174.8 | -71.1 | 171.7 | 0 | 0 | 0 | 112.1 | L25 M26 L53 T54 | L25-L50 WeakPolarHBondContact O-CD1 3.4Å; M26-L50 HydrophobicContact CG-CD1 4.45Å; L50-L53 HydrophobicContact CD2-CD1 4Å; L50-L53 WeakPolarHBondContact O-CB 3.5Å; L50-L53 PolarHBondContact O-N 3.33Å; L50-T54 PolarHBondContact O-N 3.13Å; L50-T54 PolarHBondContact O-OG1 3.18Å |
| 51 | Q | 81.3 | Confident | 75.1 | Confident | 162 Ų | 162 | 101.1 Ų | 101.1 | 76% | 0.757 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 173.2 | -66.7 | 179 | -12.6 | 0 | 0 | 113.6 | T49 T54 S55 | T49-Q51 PolarHBondContact O-N 3.11Å; Q51-T54 PolarHBondContact O-N 3.18Å; Q51-S55 WeakPolarHBondContact O-CB 3.3Å; Q51-S55 PolarHBondContact O-N 3.29Å |
| 52 | K | 85.5 | Confident | 76.8 | Confident | 102 Ų | 102 | 97.1 Ų | 97.1 | 44% | 0.443 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 176 | -75.4 | 174.7 | -177 | 167.6 | 0 | 110.8 | D47 T49 S55 I56 | D47-K52 PolarHBondContact O-NZ 3.49Å; T49-K52 WeakPolarHBondContact O-CA 3.32Å; T49-K52 WeakPolarHBondContact O-CB 3.44Å; T49-K52 PolarHBondContact O-N 3.08Å; K52-S55 WeakPolarHBondContact O-CB 3.31Å; K52-S55 PolarHBondContact O-N 2.99Å; K52-I56 VanDerWaalsContact O-CG1 3.28Å; K52-I56 WeakPolarHBondContact O-CG1 3.47Å; K52-I56 PolarHBondContact O-N 3.34Å |
| 53 | L | 84.2 | Confident | 78.3 | Confident | 34 Ų | 34 | 99.7 Ų | 99.7 | 18% | 0.178 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -57.4 | -53.5 | 173.5 | -83.8 | 178.8 | 0 | 0 | 0 | 112.5 | W48 T49 L50 S55 I56 F57 | W48-L53 HydrophobicContact CD2-CD1 4.1Å; W48-L53 HydrophobicContact CD2-CD2 4.46Å; W48-L53 HydrophobicContact CD2-CG 4.13Å; W48-L53 HydrophobicContact CE3-CD1 3.15Å; W48-L53 HydrophobicContact CE3-CD2 3.21Å; W48-L53 HydrophobicContact CE3-CG 3.12Å; W48-L53 HydrophobicContact CH2-CD1 3.58Å; W48-L53 HydrophobicContact CH2-CG 4.47Å; W48-L53 HydrophobicContact CZ2-CD1 4.48Å; W48-L53 HydrophobicContact CZ3-CD1 2.88Å; W48-L53 HydrophobicContact CZ3-CD2 3.43Å; W48-L53 VanDerWaalsContact CZ3-CD2 3.43Å; W48-L53 HydrophobicContact CZ3-CG 3.39Å; T49-L53 PolarHBondContact O-N 3.21Å; L50-L53 HydrophobicContact CD2-CD1 4Å; L50-L53 WeakPolarHBondContact O-CB 3.5Å; L50-L53 PolarHBondContact O-N 3.33Å; L53-S55 PolarHBondContact O-N 3.32Å; L53-I56 PolarHBondContact O-N 3.44Å; L53-F57 HydrophobicContact CD2-CE2 4.33Å; L53-F57 WeakPolarHBondContact O-CD2 3.26Å; L53-F57 PolarHBondContact O-N 3.47Å |
| 54 | T | 86.4 | Confident | 80.1 | Confident | 47 Ų | 47 | 96.7 Ų | 96.7 | 29% | 0.288 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.8 | -37.7 | -180 | -59 | 0 | 0 | 0 | 0 | 110.8 | L22 L50 Q51 R58 | L22-T54 HydrophobicContact CD2-CG2 4.06Å; L50-T54 PolarHBondContact O-N 3.13Å; L50-T54 PolarHBondContact O-OG1 3.18Å; Q51-T54 PolarHBondContact O-N 3.18Å; T54-R58 VanDerWaalsContact O-CB 3.3Å; T54-R58 WeakPolarHBondContact O-CB 3.37Å; T54-R58 PolarHBondContact O-N 3.32Å |
| 55 | S | 86.7 | Confident | 81.5 | Confident | 59 Ų | 59 | 97.4 Ų | 97.4 | 41% | 0.413 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 173.8 | -166.8 | 0 | 0 | 0 | 0 | 112.1 | Q51 K52 L53 R58 Q59 | Q51-S55 WeakPolarHBondContact O-CB 3.3Å; Q51-S55 PolarHBondContact O-N 3.29Å; K52-S55 WeakPolarHBondContact O-CB 3.31Å; K52-S55 PolarHBondContact O-N 2.99Å; L53-S55 PolarHBondContact O-N 3.32Å; S55-R58 PolarHBondContact O-N 2.86Å; S55-Q59 WeakPolarHBondContact O-CG 3.29Å; S55-Q59 PolarHBondContact O-N 3.48Å |
| 56 | I | 89.6 | Confident | 82.8 | Confident | 102 Ų | 102 | 97.5 Ų | 97.5 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 177.9 | -67.8 | 162.7 | 0 | 0 | 0 | 110.7 | K52 L53 R58 Q59 A60 | K52-I56 VanDerWaalsContact O-CG1 3.28Å; K52-I56 WeakPolarHBondContact O-CG1 3.47Å; K52-I56 PolarHBondContact O-N 3.34Å; L53-I56 PolarHBondContact O-N 3.44Å; I56-R58 VanDerWaalsContact C-N 3.34Å; I56-R58 PolarHBondContact O-N 2.92Å; I56-Q59 PolarHBondContact O-N 3.39Å; I56-A60 WeakPolarHBondContact O-CB 3.29Å; I56-A60 PolarHBondContact O-N 3.38Å |
| 57 | F | 89 | Confident | 83.8 | Confident | 113 Ų | 113 | 97.4 Ų | 97.4 | 50% | 0.496 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 177.9 | -89.6 | -74.7 | 0 | 0 | 0 | 111.8 | L53 Q59 A60 H61 | L53-F57 HydrophobicContact CD2-CE2 4.33Å; L53-F57 WeakPolarHBondContact O-CD2 3.26Å; L53-F57 PolarHBondContact O-N 3.47Å; F57-Q59 VanDerWaalsContact C-N 3.34Å; F57-Q59 PolarHBondContact O-N 3.48Å; F57-A60 PolarHBondContact O-N 3.46Å; F57-H61 WeakPolarHBondContact O-CB 3.43Å; F57-H61 PolarHBondContact O-N 2.88Å |
| 58 | R | 90.4 | Very high | 84.6 | Confident | 194 Ų | 194 | 97.4 Ų | 97.4 | 73% | 0.732 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.3 | -42.9 | 175.8 | -175.6 | 176.1 | 179.5 | -109.2 | -0.8 | 111.6 | T54 S55 I56 H61 V62 | T54-R58 VanDerWaalsContact O-CB 3.3Å; T54-R58 WeakPolarHBondContact O-CB 3.37Å; T54-R58 PolarHBondContact O-N 3.32Å; S55-R58 PolarHBondContact O-N 2.86Å; I56-R58 VanDerWaalsContact C-N 3.34Å; I56-R58 PolarHBondContact O-N 2.92Å; R58-H61 PolarHBondContact O-N 3.33Å; R58-V62 VanDerWaalsContact O-CG2 3.29Å; R58-V62 WeakPolarHBondContact O-CG2 3.49Å; R58-V62 PolarHBondContact O-N 2.89Å |
| 59 | Q | 92.7 | Very high | 84.9 | Confident | 127 Ų | 127 | 97.2 Ų | 97.2 | 59% | 0.593 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.2 | -43.9 | 176.7 | -73 | 175.8 | -5.8 | 0 | 0 | 112 | S55 I56 F57 H61 V62 L63 | S55-Q59 WeakPolarHBondContact O-CG 3.29Å; S55-Q59 PolarHBondContact O-N 3.48Å; I56-Q59 PolarHBondContact O-N 3.39Å; F57-Q59 VanDerWaalsContact C-N 3.34Å; F57-Q59 PolarHBondContact O-N 3.48Å; Q59-H61 VanDerWaalsContact C-N 3.34Å; Q59-H61 PolarHBondContact O-N 3.32Å; Q59-V62 PolarHBondContact O-N 3.05Å; Q59-L63 WeakPolarHBondContact O-CB 3.36Å; Q59-L63 PolarHBondContact O-N 3.1Å |
| 60 | A | 88.4 | Confident | 84.8 | Confident | 53 Ų | 53 | 99.1 Ų | 99.1 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I56 F57 L63 K64 | I56-A60 WeakPolarHBondContact O-CB 3.29Å; I56-A60 PolarHBondContact O-N 3.38Å; F57-A60 PolarHBondContact O-N 3.46Å; A60-L63 PolarHBondContact O-N 2.99Å; A60-K64 WeakPolarHBondContact O-CB 3.41Å; A60-K64 PolarHBondContact O-N 3.49Å |
| 61 | H | 87.5 | Confident | 84.5 | Confident | 105 Ų | 105 | 99.9 Ų | 99.9 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -46.4 | 174.7 | -166.2 | -76.8 | 0 | 0 | 0 | 111.8 | F57 R58 Q59 L63 K64 D65 | F57-H61 WeakPolarHBondContact O-CB 3.43Å; F57-H61 PolarHBondContact O-N 2.88Å; R58-H61 PolarHBondContact O-N 3.33Å; Q59-H61 VanDerWaalsContact C-N 3.34Å; Q59-H61 PolarHBondContact O-N 3.32Å; H61-L63 VanDerWaalsContact C-N 3.29Å; H61-L63 PolarHBondContact O-N 2.89Å; H61-K64 WeakPolarHBondContact O-CB 3.47Å; H61-K64 PolarHBondContact O-N 3.41Å; H61-D65 IonicContact CE1-OD1 3.54Å; H61-D65 IonicContact CE1-OD2 3.13Å; H61-D65 PolarHBondContact CE1-OD2 2.98Å; H61-D65 IonicContact ND1-OD1 3.82Å; H61-D65 IonicContact ND1-OD2 2.89Å; H61-D65 PolarHBondContact ND1-OD2 2.74Å; H61-D65 VanDerWaalsContact O-CG 3.28Å; H61-D65 PolarHBondContact O-N 2.99Å |
| 62 | V | 86.8 | Confident | 84.1 | Confident | 65 Ų | 65 | 96.4 Ų | 96.4 | 39% | 0.394 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.9 | -43 | 175.6 | 170.1 | 0 | 0 | 0 | 0 | 111 | R58 Q59 D65 M66 | R58-V62 VanDerWaalsContact O-CG2 3.29Å; R58-V62 WeakPolarHBondContact O-CG2 3.49Å; R58-V62 PolarHBondContact O-N 2.89Å; Q59-V62 PolarHBondContact O-N 3.05Å; V62-D65 PolarHBondContact O-N 3.2Å; V62-M66 HydrophobicContact CG1-CE 3.58Å; V62-M66 HydrophobicContact CG1-SD 4.14Å; V62-M66 VanDerWaalsContact O-CG 3.3Å; V62-M66 WeakPolarHBondContact O-CG 3.38Å; V62-M66 PolarHBondContact O-N 2.97Å |
| 63 | L | 85.2 | Confident | 83.5 | Confident | 107 Ų | 107 | 95.7 Ų | 95.7 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -44.6 | 176.7 | -178.9 | 62.6 | 0 | 0 | 0 | 111.8 | Q59 A60 H61 D65 M66 T67 | Q59-L63 WeakPolarHBondContact O-CB 3.36Å; Q59-L63 PolarHBondContact O-N 3.1Å; A60-L63 PolarHBondContact O-N 2.99Å; H61-L63 VanDerWaalsContact C-N 3.29Å; H61-L63 PolarHBondContact O-N 2.89Å; L63-D65 VanDerWaalsContact C-N 3.3Å; L63-D65 PolarHBondContact O-N 3.18Å; L63-M66 WeakPolarHBondContact O-CB 3.41Å; L63-M66 PolarHBondContact O-N 3.36Å; L63-T67 HydrophobicContact CD1-CG2 4.43Å; L63-T67 WeakPolarHBondContact O-CG2 3.43Å; L63-T67 PolarHBondContact O-N 3.22Å; L63-T67 PolarHBondContact O-OG1 3.28Å |
| 64 | K | 86.1 | Confident | 82.9 | Confident | 133 Ų | 133 | 100.2 Ų | 100.2 | 58% | 0.578 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -55.9 | -46.9 | 175.5 | 177.6 | -162.2 | 165.6 | -154.4 | 0 | 110.9 | A60 H61 T67 A68 | A60-K64 WeakPolarHBondContact O-CB 3.41Å; A60-K64 PolarHBondContact O-N 3.49Å; H61-K64 WeakPolarHBondContact O-CB 3.47Å; H61-K64 PolarHBondContact O-N 3.41Å; K64-T67 WeakPolarHBondContact CA-OG1 2.95Å; K64-T67 PolarHBondContact O-N 3.13Å; K64-T67 PolarHBondContact O-OG1 3.3Å; K64-A68 PolarHBondContact O-N 3.2Å |
| 65 | D | 84.3 | Confident | 82.4 | Confident | 74 Ų | 74 | 103.8 Ų | 103.8 | 40% | 0.396 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 178.8 | -62.9 | -25.8 | 0 | 0 | 0 | 110.9 | H61 V62 L63 T67 A68 | H61-D65 IonicContact CE1-OD1 3.54Å; H61-D65 IonicContact CE1-OD2 3.13Å; H61-D65 PolarHBondContact CE1-OD2 2.98Å; H61-D65 IonicContact ND1-OD1 3.82Å; H61-D65 IonicContact ND1-OD2 2.89Å; H61-D65 PolarHBondContact ND1-OD2 2.74Å; H61-D65 VanDerWaalsContact O-CG 3.28Å; H61-D65 PolarHBondContact O-N 2.99Å; V62-D65 PolarHBondContact O-N 3.2Å; L63-D65 VanDerWaalsContact C-N 3.3Å; L63-D65 PolarHBondContact O-N 3.18Å; D65-T67 VanDerWaalsContact C-N 3.29Å; D65-T67 PolarHBondContact O-N 2.89Å; D65-A68 WeakPolarHBondContact O-CB 3.3Å; D65-A68 PolarHBondContact O-N 3.37Å; D65-A68 VanDerWaalsContact O-N 3.16Å |
| 66 | M | 81.8 | Confident | 81.7 | Confident | 127 Ų | 127 | 111.5 Ų | 111.5 | 63% | 0.626 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.5 | -35.8 | 174 | -70.5 | 174 | 176.6 | 0 | 0 | 112.8 | V62 L63 | V62-M66 HydrophobicContact CG1-CE 3.58Å; V62-M66 HydrophobicContact CG1-SD 4.14Å; V62-M66 VanDerWaalsContact O-CG 3.3Å; V62-M66 WeakPolarHBondContact O-CG 3.38Å; V62-M66 PolarHBondContact O-N 2.97Å; L63-M66 WeakPolarHBondContact O-CB 3.41Å; L63-M66 PolarHBondContact O-N 3.36Å |
| 67 | T | 80.6 | Confident | 80.6 | Confident | 81 Ų | 81 | 111.1 Ų | 111.1 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -77 | -21.5 | 177 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | L63 K64 D65 D69 Y70 | L63-T67 HydrophobicContact CD1-CG2 4.43Å; L63-T67 WeakPolarHBondContact O-CG2 3.43Å; L63-T67 PolarHBondContact O-N 3.22Å; L63-T67 PolarHBondContact O-OG1 3.28Å; K64-T67 WeakPolarHBondContact CA-OG1 2.95Å; K64-T67 PolarHBondContact O-N 3.13Å; K64-T67 PolarHBondContact O-OG1 3.3Å; D65-T67 VanDerWaalsContact C-N 3.29Å; D65-T67 PolarHBondContact O-N 2.89Å; T67-D69 PolarHBondContact O-N 2.79Å; T67-Y70 WeakPolarHBondContact O-CB 3.24Å; T67-Y70 PolarHBondContact O-N 2.81Å; T67-Y70 VanDerWaalsContact O-N 3.12Å |
| 68 | A | 79.7 | Confident | 79.5 | Confident | 80 Ų | 80 | 112.3 Ų | 112.3 | 66% | 0.661 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.5 | -31.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K64 D65 Y70 | K64-A68 PolarHBondContact O-N 3.2Å; D65-A68 WeakPolarHBondContact O-CB 3.3Å; D65-A68 PolarHBondContact O-N 3.37Å; D65-A68 VanDerWaalsContact O-N 3.16Å; A68-Y70 VanDerWaalsContact C-N 3.3Å |
| 69 | D | 75.6 | Confident | 78.3 | Confident | 142 Ų | 142 | 110 Ų | 110 | 76% | 0.759 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 0.4 | 174.5 | -65 | -30.5 | 0 | 0 | 0 | 113.1 | T67 D71 | T67-D69 PolarHBondContact O-N 2.79Å; D69-D71 PolarHBondContact O-N 2.74Å |
| 70 | Y | 77.2 | Confident | 76.9 | Confident | 109 Ų | 109 | 109.8 Ų | 109.8 | 43% | 0.427 | 59% | 0.589 | S | S | . | * | trans | -75 | 113.7 | -177 | -170.8 | -106.6 | 0 | 0 | 0 | 111.4 | T67 A68 P72 M74 E75 | T67-Y70 WeakPolarHBondContact O-CB 3.24Å; T67-Y70 PolarHBondContact O-N 2.81Å; T67-Y70 VanDerWaalsContact O-N 3.12Å; A68-Y70 VanDerWaalsContact C-N 3.3Å; Y70-P72 WeakPolarHBondContact O-CD 3.5Å; Y70-M74 HydrophobicContact CD2-CE 4.44Å; Y70-M74 HydrophobicContact CE2-CE 4.36Å; Y70-E75 HydrophobicContact CE1-CG 4.46Å; Y70-E75 WeakPolarHBondContact OH-CG 3.29Å; Y70-E75 PolarHBondContact OH-OE1 2.76Å | ||
| 71 | D | 76.1 | Confident | 75 | Confident | 81 Ų | 81 | 116.6 Ų | 116.6 | 43% | 0.433 | 63% | 0.626 | S | S | . | * | trans | -91.9 | 116.7 | 168.5 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | D69 S73 M74 | D69-D71 PolarHBondContact O-N 2.74Å; D71-S73 PolarHBondContact O-N 3.44Å; D71-S73 VanDerWaalsContact OD1-CB 3.29Å; D71-S73 WeakPolarHBondContact OD1-CB 3.48Å; D71-S73 PolarHBondContact OD1-N 2.97Å; D71-S73 PolarHBondContact OD1-OG 2.52Å; D71-S73 PolarHBondContact OD2-OG 3.12Å; D71-M74 HydrophobicContact CB-CG 4.43Å; D71-M74 VanDerWaalsContact O-CB 3.22Å; D71-M74 WeakPolarHBondContact O-CB 3.2Å; D71-M74 PolarHBondContact O-N 3.16Å | ||
| 72 | P | 72.5 | Confident | 74.4 | Confident | 89 Ų | 89 | 117.2 Ų | 117.2 | 58% | 0.578 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -53.5 | -24.4 | 173.9 | -25.2 | 34.1 | 0 | 0 | 0 | 113.7 | Y70 M74 E75 | Y70-P72 WeakPolarHBondContact O-CD 3.5Å; P72-M74 PolarHBondContact O-N 3.44Å; P72-E75 WeakPolarHBondContact O-CA 3.41Å; P72-E75 VanDerWaalsContact O-CB 3.24Å; P72-E75 WeakPolarHBondContact O-CB 3.22Å; P72-E75 PolarHBondContact O-N 2.89Å |
| 73 | S | 73.3 | Confident | 73.8 | Confident | 88 Ų | 88 | 119.9 Ų | 119.9 | 62% | 0.615 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -66.1 | -18.5 | 175.1 | 91.8 | 0 | 0 | 0 | 0 | 113.5 | D71 E75 | D71-S73 PolarHBondContact O-N 3.44Å; D71-S73 VanDerWaalsContact OD1-CB 3.29Å; D71-S73 WeakPolarHBondContact OD1-CB 3.48Å; D71-S73 PolarHBondContact OD1-N 2.97Å; D71-S73 PolarHBondContact OD1-OG 2.52Å; D71-S73 PolarHBondContact OD2-OG 3.12Å; S73-E75 PolarHBondContact O-N 3.27Å |
| 74 | M | 71.6 | Confident | 73.1 | Confident | 129 Ų | 129 | 120.7 Ų | 120.7 | 64% | 0.635 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -65.8 | -25.6 | 168.8 | -76.9 | 177.9 | 28.4 | 0 | 0 | 112.2 | Y70 D71 P72 R76 | Y70-M74 HydrophobicContact CD2-CE 4.44Å; Y70-M74 HydrophobicContact CE2-CE 4.36Å; D71-M74 HydrophobicContact CB-CG 4.43Å; D71-M74 VanDerWaalsContact O-CB 3.22Å; D71-M74 WeakPolarHBondContact O-CB 3.2Å; D71-M74 PolarHBondContact O-N 3.16Å; P72-M74 PolarHBondContact O-N 3.44Å; M74-R76 PolarHBondContact O-N 2.86Å |
| 75 | E | 74.8 | Confident | 72.4 | Confident | 121 Ų | 121 | 119.9 Ų | 119.9 | 57% | 0.565 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -69.8 | 92.1 | 163.9 | -56 | -177.6 | -173 | 0 | 0 | 106.6 | Y70 P72 S73 S77 | Y70-E75 HydrophobicContact CE1-CG 4.46Å; Y70-E75 WeakPolarHBondContact OH-CG 3.29Å; Y70-E75 PolarHBondContact OH-OE1 2.76Å; P72-E75 WeakPolarHBondContact O-CA 3.41Å; P72-E75 VanDerWaalsContact O-CB 3.24Å; P72-E75 WeakPolarHBondContact O-CB 3.22Å; P72-E75 PolarHBondContact O-N 2.89Å; S73-E75 PolarHBondContact O-N 3.27Å; E75-S77 PolarHBondContact O-N 2.62Å |
| 76 | R | 72.2 | Confident | 71.6 | Confident | 221 Ų | 221 | 122.8 Ų | 122.8 | 83% | 0.834 | 67% | 0.67 | S | S | * | * | trans | -56.1 | 100.4 | 160.8 | -74.8 | -175.4 | 166.4 | 171.8 | -2.6 | 105.8 | M74 N78 | M74-R76 PolarHBondContact O-N 2.86Å; R76-N78 PolarHBondContact O-N 3.23Å | ||
| 77 | S | 66.9 | Low | 71 | Confident | 94 Ų | 94 | 122.5 Ų | 122.5 | 66% | 0.657 | 67% | 0.673 | S | S | * | * | trans | -55.9 | 100.1 | 167.6 | -176.5 | 0 | 0 | 0 | 0 | 105.2 | E75 I79 | E75-S77 PolarHBondContact O-N 2.62Å; S77-I79 PolarHBondContact O-N 2.86Å | ||
| 78 | N | 66 | Low | 70.3 | Confident | 139 Ų | 139 | 125.5 Ų | 125.5 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | trans | -66.3 | 86.6 | 158.4 | -63.7 | -41.6 | 0 | 0 | 0 | 102.8 | R76 V80 | R76-N78 PolarHBondContact O-N 3.23Å; N78-V80 PolarHBondContact O-N 3.02Å | ||
| 79 | I | 65.6 | Low | 69.5 | Low | 146 Ų | 146 | 129 Ų | 129 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | trans | -59.8 | 99.2 | 165.6 | -54.8 | 171 | 0 | 0 | 0 | 103.1 | S77 T81 | S77-I79 PolarHBondContact O-N 2.86Å; I79-T81 PolarHBondContact O-N 3.26Å | ||
| 80 | V | 62.8 | Low | 69 | Low | 121 Ų | 121 | 127.9 Ų | 127.9 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | trans | -71.2 | 115.7 | 178.4 | 161.8 | 0 | 0 | 0 | 0 | 106.2 | N78 | N78-V80 PolarHBondContact O-N 3.02Š| ||
| 81 | T | 49.4 | Very low | 68.3 | Low | 197 Ų | 197 | 129.6 Ų | 129.6 | 100% | 1.209 | 71% | 0.705 | S | S | * | * | trans | 79 | 0 | 161.8 | -46.6 | 0 | 0 | 0 | 0 | 116.9 | I79 | I79-T81 PolarHBondContact O-N 3.26Š|
Retrieved 81 of 81 residues in 103.9 ms
(Link to these results)