| 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 | 34.1 | Very low | 53.2 | Low | 243 Ų | 243 | 130.2 Ų | 130.2 | 100% | 1.197 | 69% | 0.685 | S | S | * | * | 0 | 127.5 | 0 | -68.8 | -59.6 | -162.3 | 0 | 0 | 107.2 | |||||
| 2 | S | 46.6 | Very low | 53.5 | Low | 103 Ų | 103 | 128.9 Ų | 128.9 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | trans | -50.9 | 133.1 | -158.5 | -55.7 | 0 | 0 | 0 | 0 | 116.5 | K4 | S2-K4 PolarHBondContact O-N 3.15Š| ||
| 3 | E | 52.4 | Low | 53.7 | Low | 144 Ų | 144 | 125.8 Ų | 125.8 | 67% | 0.673 | 66% | 0.662 | S | S | * | * | trans | -56.1 | 121.5 | 151.1 | -179 | 144.5 | 70.9 | 0 | 0 | 109.5 | K5 | E3-K5 HydrophobicContact CG-CD 4.29Å; E3-K5 HydrophobicContact CG-CG 4.08Å; E3-K5 IonicContact OE1-NZ 2.85Å; E3-K5 PolarHBondContact OE1-NZ 2.75Å; E3-K5 WeakPolarHBondContact OE2-CE 3.18Å; E3-K5 IonicContact OE2-NZ 3.03Å; E3-K5 PolarHBondContact OE2-NZ 3.19Å | ||
| 4 | K | 49.2 | Very low | 53.8 | Low | 165 Ų | 165 | 126.6 Ų | 126.6 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | trans | -127.2 | 88 | 160.8 | -77.3 | -166.2 | 176.4 | 82.8 | 0 | 106.7 | S2 Q6 | S2-K4 PolarHBondContact O-N 3.15Å; K4-Q6 VanDerWaalsContact C-N 3.29Å; K4-Q6 PolarHBondContact O-N 2.73Å | ||
| 5 | K | 59.2 | Low | 53.9 | Low | 162 Ų | 162 | 127.1 Ų | 127.1 | 70% | 0.704 | 66% | 0.658 | S | S | * | * | trans | -59.5 | 97.9 | 161.9 | -74.9 | 162.9 | 173.6 | 135.3 | 0 | 106.3 | E3 | E3-K5 HydrophobicContact CG-CD 4.29Å; E3-K5 HydrophobicContact CG-CG 4.08Å; E3-K5 IonicContact OE1-NZ 2.85Å; E3-K5 PolarHBondContact OE1-NZ 2.75Å; E3-K5 WeakPolarHBondContact OE2-CE 3.18Å; E3-K5 IonicContact OE2-NZ 3.03Å; E3-K5 PolarHBondContact OE2-NZ 3.19Å | ||
| 6 | Q | 59.8 | Low | 54 | Low | 148 Ų | 148 | 127.1 Ų | 127.1 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | trans | -54.5 | 132.5 | 165.4 | -66.7 | -73.1 | -48.1 | 0 | 0 | 106 | K4 V8 | K4-Q6 VanDerWaalsContact C-N 3.29Å; K4-Q6 PolarHBondContact O-N 2.73Å; Q6-V8 PolarHBondContact O-N 3.14Å | ||
| 7 | P | 54.8 | Low | 54.4 | Low | 120 Ų | 120 | 128.6 Ų | 128.6 | 78% | 0.779 | 67% | 0.669 | S | S | * | * | trans | -58.6 | 109.8 | 170.4 | 25.8 | -31 | 0 | 0 | 0 | 106.1 | D9 | P7-D9 PolarHBondContact O-N 2.77Š| ||
| 8 | V | 58.8 | Low | 55.2 | Low | 97 Ų | 97 | 130.7 Ų | 130.7 | 59% | 0.588 | 68% | 0.675 | S | S | * | * | trans | -61.4 | 120.8 | 175.3 | -174.3 | 0 | 0 | 0 | 0 | 105.5 | Q6 L10 L13 | Q6-V8 PolarHBondContact O-N 3.14Å; V8-L10 PolarHBondContact O-N 2.78Å; V8-L13 HydrophobicContact CB-CD1 4.46Å; V8-L13 HydrophobicContact CG1-CD1 3.66Å; V8-L13 HydrophobicContact CG1-CD2 4.2Å; V8-L13 HydrophobicContact CG1-CG 3.93Å | ||
| 9 | D | 55.9 | Low | 55.8 | Low | 109 Ų | 109 | 131.8 Ų | 131.8 | 58% | 0.583 | 67% | 0.674 | S | S | * | * | trans | -65.1 | 106.5 | -179.1 | -168.6 | 11.3 | 0 | 0 | 0 | 107.7 | P7 G11 L12 | P7-D9 PolarHBondContact O-N 2.77Å; D9-G11 PolarHBondContact O-N 2.8Å; D9-L12 HydrophobicContact CB-CD1 4.27Å; D9-L12 WeakPolarHBondContact O-CB 3.19Å; D9-L12 PolarHBondContact O-N 3.43Å | ||
| 10 | L | 56.5 | Low | 56.5 | Low | 112 Ų | 112 | 133.1 Ų | 133.1 | 59% | 0.586 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -65 | -20.4 | -170.8 | -63.8 | 173.3 | 0 | 0 | 0 | 111.9 | V8 L13 E14 | V8-L10 PolarHBondContact O-N 2.78Å; L10-L13 HydrophobicContact CD2-CD1 4.08Å; L10-L13 PolarHBondContact O-N 3.41Å; L10-E14 WeakPolarHBondContact O-CG 3.28Å; L10-E14 PolarHBondContact O-N 3.46Å |
| 11 | G | 57.5 | Low | 57.1 | Low | 29 Ų | 29 | 136.1 Ų | 136.1 | 30% | 0.299 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -65.9 | -35 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D9 L13 E14 E15 | D9-G11 PolarHBondContact O-N 2.8Å; G11-L13 VanDerWaalsContact C-N 3.27Å; G11-L13 PolarHBondContact O-N 3.29Å; G11-E14 PolarHBondContact O-N 2.94Å; G11-E15 VanDerWaalsContact O-CG 3.28Å; G11-E15 WeakPolarHBondContact O-CG 3.34Å; G11-E15 PolarHBondContact O-N 3.42Å; G11-E15 VanDerWaalsContact O-N 3.11Å |
| 12 | L | 57.4 | Low | 58.2 | Low | 115 Ų | 115 | 131.1 Ų | 131.1 | 60% | 0.602 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.4 | -19.1 | 174.6 | -89.9 | 160.4 | 0 | 0 | 0 | 113.2 | D9 | D9-L12 HydrophobicContact CB-CD1 4.27Å; D9-L12 WeakPolarHBondContact O-CB 3.19Å; D9-L12 PolarHBondContact O-N 3.43Å |
| 13 | L | 55.4 | Low | 59.4 | Low | 88 Ų | 88 | 131.6 Ų | 131.6 | 46% | 0.461 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -90.6 | -33.6 | 174.5 | -63.6 | 178.6 | 0 | 0 | 0 | 111.8 | V8 L10 G11 E15 D16 | V8-L13 HydrophobicContact CB-CD1 4.46Å; V8-L13 HydrophobicContact CG1-CD1 3.66Å; V8-L13 HydrophobicContact CG1-CD2 4.2Å; V8-L13 HydrophobicContact CG1-CG 3.93Å; L10-L13 HydrophobicContact CD2-CD1 4.08Å; L10-L13 PolarHBondContact O-N 3.41Å; G11-L13 VanDerWaalsContact C-N 3.27Å; G11-L13 PolarHBondContact O-N 3.29Å; L13-E15 VanDerWaalsContact C-N 3.33Å; L13-D16 PolarHBondContact O-N 3.11Å |
| 14 | E | 55.6 | Low | 59.8 | Low | 137 Ų | 137 | 129.5 Ų | 129.5 | 64% | 0.64 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.2 | -33.8 | 173.8 | -73.8 | 173 | -165.1 | 0 | 0 | 111.5 | L10 G11 D16 D17 | L10-E14 WeakPolarHBondContact O-CG 3.28Å; L10-E14 PolarHBondContact O-N 3.46Å; G11-E14 PolarHBondContact O-N 2.94Å; E14-D16 VanDerWaalsContact C-N 3.29Å; E14-D16 PolarHBondContact O-N 3.24Å; E14-D17 PolarHBondContact O-N 3.26Å |
| 15 | E | 55.5 | Low | 60.4 | Low | 134 Ų | 134 | 128.4 Ų | 128.4 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -23.4 | 172.9 | -72.9 | 171.1 | -160.4 | 0 | 0 | 113.5 | G11 L13 | G11-E15 VanDerWaalsContact O-CG 3.28Å; G11-E15 WeakPolarHBondContact O-CG 3.34Å; G11-E15 PolarHBondContact O-N 3.42Å; G11-E15 VanDerWaalsContact O-N 3.11Å; L13-E15 VanDerWaalsContact C-N 3.33Å |
| 16 | D | 55.4 | Low | 60.2 | Low | 127 Ų | 127 | 127.7 Ų | 127.7 | 68% | 0.679 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -21.6 | 178.9 | -154.6 | 32.3 | 0 | 0 | 0 | 112.2 | L13 E14 | L13-D16 PolarHBondContact O-N 3.11Å; E14-D16 VanDerWaalsContact C-N 3.29Å; E14-D16 PolarHBondContact O-N 3.24Å |
| 17 | D | 60.8 | Low | 60.1 | Low | 154 Ų | 154 | 128.8 Ų | 128.8 | 82% | 0.824 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -87.4 | -8.8 | 171.8 | -94.4 | -21.7 | 0 | 0 | 0 | 112.8 | E14 F19 | E14-D17 PolarHBondContact O-N 3.26Å; D17-F19 VanDerWaalsContact C-N 3.35Å |
| 18 | E | 69.1 | Low | 60.1 | Low | 165 Ų | 165 | 127.1 Ų | 127.1 | 77% | 0.771 | 67% | 0.665 | S | S | * | * | trans | -94.8 | 11.8 | 178.4 | -161.5 | 154.9 | -163.6 | 0 | 0 | 112.8 | ||||
| 19 | F | 67 | Low | 59.8 | Low | 153 Ų | 153 | 125.6 Ų | 125.6 | 67% | 0.671 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -71 | 130.4 | 167.5 | -146.1 | -100.7 | 0 | 0 | 0 | 109.6 | D17 E21 F22 | D17-F19 VanDerWaalsContact C-N 3.35Å; F19-E21 PolarHBondContact O-N 3.06Å; F19-E21 VanDerWaalsContact O-N 3.14Å; F19-F22 HydrophobicContact CD1-CD2 4.2Å; F19-F22 HydrophobicContact CD1-CE2 4.22Å; F19-F22 AromaticContact CE1-CD2 3.75Å; F19-F22 HydrophobicContact CE1-CD2 3.75Å; F19-F22 AromaticContact CE1-CE2 3.58Å; F19-F22 HydrophobicContact CE1-CE2 3.58Å; F19-F22 HydrophobicContact CZ-CE2 4.22Å |
| 20 | E | 69.6 | Low | 59.7 | Low | 157 Ų | 157 | 126.8 Ų | 126.8 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | trans | -58.8 | 121.5 | 172 | -75 | -175.5 | 178.6 | 0 | 0 | 108.6 | F22 | E20-F22 WeakPolarHBondContact O-CD2 3.48Å; E20-F22 PolarHBondContact O-N 3.18Å | ||
| 21 | E | 68.4 | Low | 59.6 | Low | 196 Ų | 196 | 126.1 Ų | 126.1 | 92% | 0.916 | 67% | 0.671 | S | S | * | * | trans | -63.1 | 88 | 173.9 | -166.3 | 178.5 | -160.8 | 0 | 0 | 107.7 | F19 | F19-E21 PolarHBondContact O-N 3.06Å; F19-E21 VanDerWaalsContact O-N 3.14Å | ||
| 22 | F | 57.6 | Low | 59.4 | Low | 138 Ų | 138 | 133.2 Ų | 133.2 | 61% | 0.605 | 70% | 0.696 | S | S | * | * | trans | -57 | 137.3 | 174.9 | -78.9 | -87.4 | 0 | 0 | 0 | 107.4 | F19 E20 A24 | F19-F22 HydrophobicContact CD1-CD2 4.2Å; F19-F22 HydrophobicContact CD1-CE2 4.22Å; F19-F22 AromaticContact CE1-CD2 3.75Å; F19-F22 HydrophobicContact CE1-CD2 3.75Å; F19-F22 AromaticContact CE1-CE2 3.58Å; F19-F22 HydrophobicContact CE1-CE2 3.58Å; F19-F22 HydrophobicContact CZ-CE2 4.22Å; E20-F22 WeakPolarHBondContact O-CD2 3.48Å; E20-F22 PolarHBondContact O-N 3.18Å; F22-A24 PolarHBondContact O-N 3.05Å | ||
| 23 | P | 70.5 | Confident | 59.2 | Low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | trans | -50.9 | 133.4 | 171.9 | 23.1 | -32.1 | 0 | 0 | 0 | 107.7 | E25 | P23-E25 VanDerWaalsContact C-N 3.26Å; P23-E25 PolarHBondContact O-N 2.9Å | ||
| 24 | A | 61.8 | Low | 59.2 | Low | 101 Ų | 101 | 135.9 Ų | 135.9 | 84% | 0.835 | 71% | 0.707 | S | S | * | * | trans | -57.5 | 99.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | F22 D26 | F22-A24 PolarHBondContact O-N 3.05Å; A24-D26 PolarHBondContact O-N 3.01Å; A24-D26 VanDerWaalsContact O-N 3.15Å | ||
| 25 | E | 60.7 | Low | 59.1 | Low | 141 Ų | 141 | 133.7 Ų | 133.7 | 66% | 0.659 | 70% | 0.7 | S | S | * | * | trans | -56.7 | 121.4 | 169.2 | -167.6 | 93.6 | -104.5 | 0 | 0 | 104.8 | P23 W27 | P23-E25 VanDerWaalsContact C-N 3.26Å; P23-E25 PolarHBondContact O-N 2.9Å; E25-W27 HydrophobicContact CG-CD2 4.44Å; E25-W27 HydrophobicContact CG-CZ2 4.38Å; E25-W27 PolarHBondContact O-N 3.43Å | ||
| 26 | D | 56.5 | Low | 59 | Low | 147 Ų | 147 | 129.9 Ų | 129.9 | 79% | 0.786 | 69% | 0.691 | S | S | * | * | trans | -71.4 | 80.3 | 178.6 | -149 | -48.4 | 0 | 0 | 0 | 106 | A24 A28 | A24-D26 PolarHBondContact O-N 3.01Å; A24-D26 VanDerWaalsContact O-N 3.15Å; D26-A28 PolarHBondContact O-N 2.79Å; D26-A28 WeakPolarHBondContact OD1-CB 3.12Å | ||
| 27 | W | 56.8 | Low | 59.1 | Low | 171 Ų | 171 | 128.8 Ų | 128.8 | 65% | 0.648 | 68% | 0.682 | S | S | * | * | trans | -66.2 | 25.2 | 175.8 | -67.7 | 102 | 0 | 0 | 0 | 112.1 | E25 G29 | E25-W27 HydrophobicContact CG-CD2 4.44Å; E25-W27 HydrophobicContact CG-CZ2 4.38Å; E25-W27 PolarHBondContact O-N 3.43Å; W27-G29 PolarHBondContact O-N 3.34Å | ||
| 28 | A | 54.3 | Low | 59 | Low | 86 Ų | 86 | 125 Ų | 125 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -69.3 | 76.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | D26 | D26-A28 PolarHBondContact O-N 2.79Å; D26-A28 WeakPolarHBondContact OD1-CB 3.12Å |
| 29 | G | 54.3 | Low | 58.7 | Low | 65 Ų | 65 | 126.9 Ų | 126.9 | 67% | 0.67 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 98.6 | 35.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | W27 | W27-G29 PolarHBondContact O-N 3.34Š|
| 30 | L | 53.7 | Low | 58.2 | Low | 134 Ų | 134 | 126.6 Ų | 126.6 | 70% | 0.702 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -90.4 | 99.2 | 150.8 | -78.4 | 170.6 | 0 | 0 | 0 | 106.8 | E32 | L30-E32 PolarHBondContact O-N 2.85Š|
| 31 | D | 53 | Low | 57.7 | Low | 98 Ų | 98 | 124.1 Ų | 124.1 | 52% | 0.524 | 66% | 0.657 | S | S | . | * | trans | 14.9 | 88.8 | 167.4 | -61.5 | -73.1 | 0 | 0 | 0 | 115.4 | D33 E34 | D31-D33 PolarHBondContact O-N 3.18Å; D31-E34 HydrophobicContact CB-CG 4.48Å; D31-E34 PolarHBondContact O-N 3.03Å | ||
| 32 | E | 54.4 | Low | 57.2 | Low | 177 Ų | 177 | 120.5 Ų | 120.5 | 83% | 0.827 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -54.3 | -12.6 | 170.8 | -73 | 178.1 | 164.5 | 0 | 0 | 113 | L30 | L30-E32 PolarHBondContact O-N 2.85Å |
| 33 | D | 53.7 | Low | 57.7 | Low | 113 Ų | 113 | 125.2 Ų | 125.2 | 60% | 0.604 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -82 | -33.8 | 177.3 | -60.2 | -45.2 | 0 | 0 | 0 | 112.6 | D31 H37 | D31-D33 PolarHBondContact O-N 3.18Å; D33-H37 PolarHBondContact O-CD2 2.91Å; D33-H37 PolarHBondContact O-NE2 2.95Å |
| 34 | E | 54.4 | Low | 57.2 | Low | 146 Ų | 146 | 126.5 Ų | 126.5 | 68% | 0.682 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.2 | -37.8 | -175.5 | -80.9 | -157 | 149.7 | 0 | 0 | 113.3 | D31 H37 | D31-E34 HydrophobicContact CB-CG 4.48Å; D31-E34 PolarHBondContact O-N 3.03Å; E34-H37 PolarHBondContact O-N 3.39Å |
| 35 | D | 53.2 | Low | 57 | Low | 92 Ų | 92 | 124.9 Ų | 124.9 | 49% | 0.492 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71.9 | -35.2 | -177.7 | -96.6 | -37.7 | 0 | 0 | 0 | 112 | H37 V38 | D35-H37 VanDerWaalsContact C-N 3.3Å; D35-H37 PolarHBondContact O-N 2.9Å; D35-V38 PolarHBondContact O-N 3.42Å |
| 36 | A | 54.3 | Low | 56.8 | Low | 53 Ų | 53 | 124.2 Ų | 124.2 | 44% | 0.438 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.7 | -33.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V38 W39 E40 | A36-V38 VanDerWaalsContact C-N 3.31Å; A36-V38 PolarHBondContact O-N 3.26Å; A36-W39 PolarHBondContact O-N 3.41Å; A36-E40 PolarHBondContact O-N 3.4Å |
| 37 | H | 56.8 | Low | 56.9 | Low | 105 Ų | 105 | 123.1 Ų | 123.1 | 49% | 0.486 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.6 | -31.1 | 178.2 | -71.5 | -42.4 | 0 | 0 | 0 | 113 | D33 E34 D35 W39 D41 | D33-H37 PolarHBondContact O-CD2 2.91Å; D33-H37 PolarHBondContact O-NE2 2.95Å; E34-H37 PolarHBondContact O-N 3.39Å; D35-H37 VanDerWaalsContact C-N 3.3Å; D35-H37 PolarHBondContact O-N 2.9Å; H37-W39 VanDerWaalsContact C-N 3.3Å; H37-W39 PolarHBondContact O-N 2.98Å; H37-D41 VanDerWaalsContact O-CB 3.27Å; H37-D41 WeakPolarHBondContact O-CB 3.31Å; H37-D41 PolarHBondContact O-N 3.39Å |
| 38 | V | 58.8 | Low | 56.8 | Low | 75 Ų | 75 | 119.7 Ų | 119.7 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.1 | -28.8 | -178.7 | -179.7 | 0 | 0 | 0 | 0 | 112.5 | D35 A36 N42 | D35-V38 PolarHBondContact O-N 3.42Å; A36-V38 VanDerWaalsContact C-N 3.31Å; A36-V38 PolarHBondContact O-N 3.26Å; V38-N42 VanDerWaalsContact O-CB 3.31Å; V38-N42 WeakPolarHBondContact O-CB 3.27Å; V38-N42 PolarHBondContact O-ND2 3.08Å |
| 39 | W | 63 | Low | 56.8 | Low | 204 Ų | 204 | 122.4 Ų | 122.4 | 77% | 0.773 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -94.2 | -28.3 | -178.4 | -60.3 | 84.5 | 0 | 0 | 0 | 112.9 | A36 H37 | A36-W39 PolarHBondContact O-N 3.41Å; H37-W39 VanDerWaalsContact C-N 3.3Å; H37-W39 PolarHBondContact O-N 2.98Å |
| 40 | E | 55.7 | Low | 57 | Low | 146 Ų | 146 | 123 Ų | 123 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -79.7 | -41.1 | 174 | -69.5 | -167 | 167.3 | 0 | 0 | 112.4 | A36 | A36-E40 PolarHBondContact O-N 3.4Å |
| 41 | D | 60.6 | Low | 57.6 | Low | 106 Ų | 106 | 121 Ų | 121 | 57% | 0.567 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.6 | -40.7 | 179.4 | -82.7 | -16 | 0 | 0 | 0 | 111.5 | H37 W43 D45 | H37-D41 VanDerWaalsContact O-CB 3.27Å; H37-D41 WeakPolarHBondContact O-CB 3.31Å; H37-D41 PolarHBondContact O-N 3.39Å; D41-W43 VanDerWaalsContact C-N 3.3Å; D41-W43 PolarHBondContact O-N 3.29Å; D41-D45 WeakPolarHBondContact O-CB 3.12Å; D41-D45 PolarHBondContact O-N 3.39Å; D41-D45 VanDerWaalsContact O-N 3.08Å |
| 42 | N | 57.3 | Low | 58 | Low | 120 Ų | 120 | 123 Ų | 123 | 64% | 0.642 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -79.4 | -5.8 | -173.5 | -67.7 | -21.7 | 0 | 0 | 0 | 115.1 | V38 | V38-N42 VanDerWaalsContact O-CB 3.31Å; V38-N42 WeakPolarHBondContact O-CB 3.27Å; V38-N42 PolarHBondContact O-ND2 3.08Å |
| 43 | W | 68.4 | Low | 58.6 | Low | 237 Ų | 237 | 117.2 Ų | 117.2 | 90% | 0.898 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -101.5 | -24.5 | 178.4 | -169.3 | 21.4 | 0 | 0 | 0 | 113 | D41 | D41-W43 VanDerWaalsContact C-N 3.3Å; D41-W43 PolarHBondContact O-N 3.29Å |
| 44 | D | 58.7 | Low | 59.1 | Low | 140 Ų | 140 | 113.3 Ų | 113.3 | 75% | 0.749 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -107 | -3.8 | 177.1 | -138.2 | 1 | 0 | 0 | 0 | 112.7 | D46 | D44-D46 PolarHBondContact O-N 3.23Å |
| 45 | D | 58.8 | Low | 59.8 | Low | 67 Ų | 67 | 111.8 Ų | 111.8 | 36% | 0.358 | 56% | 0.56 | S | S | . | * | trans | -78.4 | 59.2 | 173.3 | -164.4 | 1.6 | 0 | 0 | 0 | 112.2 | D41 N47 V48 | D41-D45 WeakPolarHBondContact O-CB 3.12Å; D41-D45 PolarHBondContact O-N 3.39Å; D41-D45 VanDerWaalsContact O-N 3.08Å; D45-N47 PolarHBondContact O-N 3.3Å; D45-N47 VanDerWaalsContact OD1-CB 3.3Å; D45-N47 WeakPolarHBondContact OD1-CB 3.08Å; D45-N47 PolarHBondContact OD1-N 3.29Å; D45-V48 PolarHBondContact O-N 3Å; D45-V48 PolarHBondContact OD1-N 2.9Å; D45-V48 WeakPolarHBondContact OD2-CG2 3.3Å | ||
| 46 | D | 56.9 | Low | 60.4 | Low | 126 Ų | 126 | 112.6 Ų | 112.6 | 67% | 0.674 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -54.8 | -9.9 | 163 | -101 | -31.4 | 0 | 0 | 0 | 112.4 | D44 | D44-D46 PolarHBondContact O-N 3.23Å |
| 47 | N | 57.3 | Low | 60.8 | Low | 124 Ų | 124 | 116.8 Ų | 116.8 | 66% | 0.663 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -84.6 | -23 | -177.4 | 176.1 | 69.4 | 0 | 0 | 0 | 112.9 | D45 | D45-N47 PolarHBondContact O-N 3.3Å; D45-N47 VanDerWaalsContact OD1-CB 3.3Å; D45-N47 WeakPolarHBondContact OD1-CB 3.08Å; D45-N47 PolarHBondContact OD1-N 3.29Å |
| 48 | V | 55.7 | Low | 60.9 | Low | 99 Ų | 99 | 117.4 Ų | 117.4 | 60% | 0.6 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -74.8 | -30.4 | 169.4 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | D45 | D45-V48 PolarHBondContact O-N 3Å; D45-V48 PolarHBondContact OD1-N 2.9Å; D45-V48 WeakPolarHBondContact OD2-CG2 3.3Å |
| 49 | E | 54.2 | Low | 61 | Low | 143 Ų | 143 | 115.5 Ų | 115.5 | 67% | 0.668 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -73.4 | -26.1 | 177.1 | -133 | -170.3 | 105.6 | 0 | 0 | 112.9 | S53 | E49-S53 WeakPolarHBondContact O-CB 3.23Å; E49-S53 PolarHBondContact O-N 2.77Å; E49-S53 PolarHBondContact O-OG 3.4Å |
| 50 | D | 58.2 | Low | 60.7 | Low | 79 Ų | 79 | 113.2 Ų | 113.2 | 42% | 0.422 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -73.4 | -33.4 | 178.1 | -166 | 42.2 | 0 | 0 | 0 | 112.7 | S53 N54 | D50-S53 PolarHBondContact O-N 2.85Å; D50-N54 WeakPolarHBondContact O-CA 3.48Å; D50-N54 WeakPolarHBondContact O-CB 3.38Å; D50-N54 PolarHBondContact O-N 3.45Å; D50-N54 PolarHBondContact O-ND2 3.49Å; D50-N54 PolarHBondContact OD1-ND2 3.38Å; D50-N54 PolarHBondContact OD1-OD1 2.76Å; D50-N54 PolarHBondContact OD2-ND2 3.03Å |
| 51 | D | 66.3 | Low | 60.7 | Low | 91 Ų | 91 | 108.8 Ų | 108.8 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.9 | -40 | -179 | -167.3 | 54.2 | 0 | 0 | 0 | 112.6 | N54 Q55 | D51-N54 PolarHBondContact O-N 3.41Å; D51-Q55 WeakPolarHBondContact O-CB 3.42Å; D51-Q55 VanDerWaalsContact O-CG 3.23Å; D51-Q55 WeakPolarHBondContact O-CG 3.1Å; D51-Q55 PolarHBondContact O-N 3.02Å; D51-Q55 PolarHBondContact OD2-NE2 2.68Å |
| 52 | F | 62 | Low | 60.6 | Low | 140 Ų | 140 | 106.3 Ų | 106.3 | 61% | 0.614 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67 | -41.3 | 175.5 | -156.3 | -97.6 | 0 | 0 | 0 | 111.6 | Q55 L56 | F52-Q55 PolarHBondContact O-N 2.78Å; F52-L56 HydrophobicContact CD1-CD1 3.84Å; F52-L56 HydrophobicContact CD1-CG 4.42Å; F52-L56 HydrophobicContact CE1-CD1 3.85Å; F52-L56 HydrophobicContact CE1-CG 4.43Å; F52-L56 WeakPolarHBondContact O-CG 3.49Å; F52-L56 PolarHBondContact O-N 3.46Å |
| 53 | S | 66.1 | Low | 60.6 | Low | 56 Ų | 56 | 103.2 Ų | 103.2 | 39% | 0.392 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 175.4 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | E49 D50 L56 R57 | E49-S53 WeakPolarHBondContact O-CB 3.23Å; E49-S53 PolarHBondContact O-N 2.77Å; E49-S53 PolarHBondContact O-OG 3.4Å; D50-S53 PolarHBondContact O-N 2.85Å; S53-L56 PolarHBondContact O-N 2.99Å; S53-R57 VanDerWaalsContact O-CB 3.31Å; S53-R57 WeakPolarHBondContact O-CB 3.16Å; S53-R57 PolarHBondContact O-N 2.73Å |
| 54 | N | 64.8 | Low | 60.2 | Low | 30 Ų | 30 | 94 Ų | 94 | 16% | 0.16 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 173.7 | -75.8 | -34.1 | 0 | 0 | 0 | 110.6 | D50 D51 L56 R57 H58 | D50-N54 WeakPolarHBondContact O-CA 3.48Å; D50-N54 WeakPolarHBondContact O-CB 3.38Å; D50-N54 PolarHBondContact O-N 3.45Å; D50-N54 PolarHBondContact O-ND2 3.49Å; D50-N54 PolarHBondContact OD1-ND2 3.38Å; D50-N54 PolarHBondContact OD1-OD1 2.76Å; D50-N54 PolarHBondContact OD2-ND2 3.03Å; D51-N54 PolarHBondContact O-N 3.41Å; N54-L56 VanDerWaalsContact C-N 3.35Å; N54-L56 PolarHBondContact O-N 3.45Å; N54-R57 PolarHBondContact O-N 3.39Å; N54-R57 PolarHBondContact OD1-NH1 2.83Å; N54-R57 PolarHBondContact OD1-NH2 2.73Å; N54-H58 WeakPolarHBondContact O-CB 3.29Å; N54-H58 PolarHBondContact O-N 2.7Å; N54-H58 PolarHBondContact O-ND1 3.49Å |
| 55 | Q | 68.5 | Low | 60.2 | Low | 114 Ų | 114 | 91.6 Ų | 91.6 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 176.9 | -74 | 179 | 41.8 | 0 | 0 | 111.9 | D51 F52 G59 | D51-Q55 WeakPolarHBondContact O-CB 3.42Å; D51-Q55 VanDerWaalsContact O-CG 3.23Å; D51-Q55 WeakPolarHBondContact O-CG 3.1Å; D51-Q55 PolarHBondContact O-N 3.02Å; D51-Q55 PolarHBondContact OD2-NE2 2.68Å; F52-Q55 PolarHBondContact O-N 2.78Å; Q55-G59 PolarHBondContact O-N 3.31Å |
| 56 | L | 65.1 | Low | 60.3 | Low | 110 Ų | 110 | 94 Ų | 94 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.7 | -40.8 | 176.2 | -71.1 | 172.7 | 0 | 0 | 0 | 112.6 | F52 S53 N54 G59 H60 | F52-L56 HydrophobicContact CD1-CD1 3.84Å; F52-L56 HydrophobicContact CD1-CG 4.42Å; F52-L56 HydrophobicContact CE1-CD1 3.85Å; F52-L56 HydrophobicContact CE1-CG 4.43Å; F52-L56 WeakPolarHBondContact O-CG 3.49Å; F52-L56 PolarHBondContact O-N 3.46Å; S53-L56 PolarHBondContact O-N 2.99Å; N54-L56 VanDerWaalsContact C-N 3.35Å; N54-L56 PolarHBondContact O-N 3.45Å; L56-G59 PolarHBondContact O-N 2.92Å; L56-H60 WeakPolarHBondContact O-CB 3.44Å; L56-H60 PolarHBondContact O-N 2.93Å |
| 57 | R | 63.9 | Low | 60.4 | Low | 140 Ų | 140 | 93.6 Ų | 93.6 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 176.3 | -170.8 | 175.2 | 72.2 | -110.4 | 1 | 111.8 | S53 N54 H60 A61 | S53-R57 VanDerWaalsContact O-CB 3.31Å; S53-R57 WeakPolarHBondContact O-CB 3.16Å; S53-R57 PolarHBondContact O-N 2.73Å; N54-R57 PolarHBondContact O-N 3.39Å; N54-R57 PolarHBondContact OD1-NH1 2.83Å; N54-R57 PolarHBondContact OD1-NH2 2.73Å; R57-H60 PolarHBondContact O-N 2.78Å; R57-A61 VanDerWaalsContact O-CB 3.29Å; R57-A61 WeakPolarHBondContact O-CB 3.33Å; R57-A61 PolarHBondContact O-N 3.38Å |
| 58 | H | 59.4 | Low | 60.4 | Low | 119 Ų | 119 | 92.6 Ų | 92.6 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68 | -37.3 | 174.4 | -73.4 | 91.5 | 0 | 0 | 0 | 111.6 | N54 S62 | N54-H58 WeakPolarHBondContact O-CB 3.29Å; N54-H58 PolarHBondContact O-N 2.7Å; N54-H58 PolarHBondContact O-ND1 3.49Å; H58-S62 WeakPolarHBondContact O-CB 3.31Å; H58-S62 PolarHBondContact O-N 2.83Å; H58-S62 PolarHBondContact O-OG 2.94Å |
| 59 | G | 59.3 | Low | 60.6 | Low | 35 Ų | 35 | 95.9 Ų | 95.9 | 36% | 0.361 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q55 L56 S62 A63 | Q55-G59 PolarHBondContact O-N 3.31Å; L56-G59 PolarHBondContact O-N 2.92Å; G59-S62 WeakPolarHBondContact CA-OG 3.36Å; G59-S62 PolarHBondContact O-OG 3.4Å; G59-S62 VanDerWaalsContact O-OG 3.07Å; G59-A63 WeakPolarHBondContact O-CB 3.21Å; G59-A63 PolarHBondContact O-N 3.05Å |
| 60 | H | 56.2 | Low | 60.7 | Low | 156 Ų | 156 | 96.4 Ų | 96.4 | 72% | 0.722 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.5 | -40.3 | 177.3 | -169.8 | -98.4 | 0 | 0 | 0 | 112.5 | L56 R57 G64 | L56-H60 WeakPolarHBondContact O-CB 3.44Å; L56-H60 PolarHBondContact O-N 2.93Å; R57-H60 PolarHBondContact O-N 2.78Å; H60-G64 PolarHBondContact O-N 3.07Å |
| 61 | A | 57.2 | Low | 60.7 | Low | 52 Ų | 52 | 97.5 Ų | 97.5 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.8 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R57 G64 L65 | R57-A61 VanDerWaalsContact O-CB 3.29Å; R57-A61 WeakPolarHBondContact O-CB 3.33Å; R57-A61 PolarHBondContact O-N 3.38Å; A61-G64 PolarHBondContact O-N 2.87Å; A61-L65 WeakPolarHBondContact O-CB 3.38Å; A61-L65 WeakPolarHBondContact O-CG 3.48Å; A61-L65 PolarHBondContact O-N 3.31Å |
| 62 | S | 57.3 | Low | 60.1 | Low | 55 Ų | 55 | 96.7 Ų | 96.7 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.9 | -39.5 | 177 | 59.7 | 0 | 0 | 0 | 0 | 112 | H58 G59 G64 L65 L66 | H58-S62 WeakPolarHBondContact O-CB 3.31Å; H58-S62 PolarHBondContact O-N 2.83Å; H58-S62 PolarHBondContact O-OG 2.94Å; G59-S62 WeakPolarHBondContact CA-OG 3.36Å; G59-S62 PolarHBondContact O-OG 3.4Å; G59-S62 VanDerWaalsContact O-OG 3.07Å; S62-G64 VanDerWaalsContact C-N 3.33Å; S62-G64 PolarHBondContact O-N 2.87Å; S62-L65 PolarHBondContact O-N 2.94Å; S62-L66 WeakPolarHBondContact O-CB 3.19Å; S62-L66 WeakPolarHBondContact O-CG 3.4Å; S62-L66 PolarHBondContact O-N 3.38Å |
| 63 | A | 58.9 | Low | 59.9 | Low | 55 Ų | 55 | 97.7 Ų | 97.7 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | G59 L66 Q67 | G59-A63 WeakPolarHBondContact O-CB 3.21Å; G59-A63 PolarHBondContact O-N 3.05Å; A63-L66 PolarHBondContact O-N 3Å; A63-Q67 WeakPolarHBondContact O-CB 3.12Å; A63-Q67 PolarHBondContact O-N 3.46Å |
| 64 | G | 58.3 | Low | 59.3 | Low | 42 Ų | 42 | 103.8 Ų | 103.8 | 43% | 0.433 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.8 | -43.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H60 A61 S62 Q67 E68 | H60-G64 PolarHBondContact O-N 3.07Å; A61-G64 PolarHBondContact O-N 2.87Å; S62-G64 VanDerWaalsContact C-N 3.33Å; S62-G64 PolarHBondContact O-N 2.87Å; G64-Q67 PolarHBondContact O-N 3.49Å; G64-E68 PolarHBondContact O-N 3.18Å; G64-E68 VanDerWaalsContact O-N 3.13Å |
| 65 | L | 58.8 | Low | 58.9 | Low | 91 Ų | 91 | 105.5 Ų | 105.5 | 48% | 0.476 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.3 | -33 | 176.7 | -76.8 | 162.8 | 0 | 0 | 0 | 112.9 | A61 S62 K69 | A61-L65 WeakPolarHBondContact O-CB 3.38Å; A61-L65 WeakPolarHBondContact O-CG 3.48Å; A61-L65 PolarHBondContact O-N 3.31Å; S62-L65 PolarHBondContact O-N 2.94Å; L65-K69 WeakPolarHBondContact O-CB 3.26Å; L65-K69 VanDerWaalsContact O-CG 3.26Å; L65-K69 WeakPolarHBondContact O-CG 3.38Å; L65-K69 PolarHBondContact O-N 3.48Å |
| 66 | L | 60.8 | Low | 58.4 | Low | 117 Ų | 117 | 111.6 Ų | 111.6 | 61% | 0.613 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.5 | -37 | 174.6 | -70.6 | 169.3 | 0 | 0 | 0 | 111.3 | S62 A63 E68 L70 | S62-L66 WeakPolarHBondContact O-CB 3.19Å; S62-L66 WeakPolarHBondContact O-CG 3.4Å; S62-L66 PolarHBondContact O-N 3.38Å; A63-L66 PolarHBondContact O-N 3Å; L66-E68 VanDerWaalsContact C-N 3.34Å; L66-E68 PolarHBondContact O-N 2.97Å; L66-L70 WeakPolarHBondContact O-CB 3.46Å; L66-L70 PolarHBondContact O-N 2.96Å |
| 67 | Q | 59.1 | Low | 57.6 | Low | 118 Ų | 118 | 116.5 Ų | 116.5 | 55% | 0.551 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.9 | -42.3 | 173.3 | -168.9 | 78.3 | 75.2 | 0 | 0 | 111.5 | A63 G64 L71 | A63-Q67 WeakPolarHBondContact O-CB 3.12Å; A63-Q67 PolarHBondContact O-N 3.46Å; G64-Q67 PolarHBondContact O-N 3.49Å; Q67-L71 HydrophobicContact CG-CD1 4.2Å; Q67-L71 WeakPolarHBondContact O-CB 3.38Å; Q67-L71 PolarHBondContact O-N 3.13Å |
| 68 | E | 57.5 | Low | 57.1 | Low | 103 Ų | 103 | 115.4 Ų | 115.4 | 48% | 0.481 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.2 | -44.8 | 179.2 | -165.2 | -177.8 | 103.2 | 0 | 0 | 112.3 | G64 L66 L70 G72 | G64-E68 PolarHBondContact O-N 3.18Å; G64-E68 VanDerWaalsContact O-N 3.13Å; L66-E68 VanDerWaalsContact C-N 3.34Å; L66-E68 PolarHBondContact O-N 2.97Å; E68-L70 VanDerWaalsContact C-N 3.35Å; E68-L70 PolarHBondContact O-N 3.22Å; E68-G72 PolarHBondContact O-N 3.37Å |
| 69 | K | 59.9 | Low | 56.8 | Low | 168 Ų | 168 | 114 Ų | 114 | 73% | 0.73 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.5 | -29.5 | 178.9 | -72.5 | 177.6 | -178.5 | -172.2 | 0 | 113.5 | L65 | L65-K69 WeakPolarHBondContact O-CB 3.26Å; L65-K69 VanDerWaalsContact O-CG 3.26Å; L65-K69 WeakPolarHBondContact O-CG 3.38Å; L65-K69 PolarHBondContact O-N 3.48Å |
| 70 | L | 57.8 | Low | 56.8 | Low | 153 Ų | 153 | 124.1 Ų | 124.1 | 80% | 0.801 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -84.3 | -27.5 | -179.2 | -158.4 | 76 | 0 | 0 | 0 | 112.6 | L66 E68 | L66-L70 WeakPolarHBondContact O-CB 3.46Å; L66-L70 PolarHBondContact O-N 2.96Å; E68-L70 VanDerWaalsContact C-N 3.35Å; E68-L70 PolarHBondContact O-N 3.22Å |
| 71 | L | 57 | Low | 56.6 | Low | 103 Ų | 103 | 122.2 Ų | 122.2 | 54% | 0.539 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -97.7 | -13.5 | -177.6 | -73.9 | 173.8 | 0 | 0 | 0 | 115.2 | Q67 E73 | Q67-L71 HydrophobicContact CG-CD1 4.2Å; Q67-L71 WeakPolarHBondContact O-CB 3.38Å; Q67-L71 PolarHBondContact O-N 3.13Å; L71-E73 PolarHBondContact O-N 2.86Å |
| 72 | G | 54.1 | Low | 56.3 | Low | 73 Ų | 73 | 124.3 Ų | 124.3 | 75% | 0.753 | 64% | 0.64 | S | S | * | * | trans | 55 | 19 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E68 | E68-G72 PolarHBondContact O-N 3.37Š| ||
| 73 | E | 57.1 | Low | 56.2 | Low | 162 Ų | 162 | 126.7 Ų | 126.7 | 76% | 0.757 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -143.4 | 130.2 | -176.8 | -69.3 | -166.8 | 127.2 | 0 | 0 | 108.3 | L71 | L71-E73 PolarHBondContact O-N 2.86Š|
| 74 | E | 53.8 | Low | 56.4 | Low | 183 Ų | 183 | 128.9 Ų | 128.9 | 86% | 0.855 | 67% | 0.669 | S | S | * | * | trans | -57.8 | 135.3 | -170.2 | -60.6 | -118.4 | 127.7 | 0 | 0 | 112.7 | R76 | E74-R76 PolarHBondContact O-N 2.94Š| ||
| 75 | P | 56.9 | Low | 56 | Low | 66 Ų | 66 | 133.9 Ų | 133.9 | 43% | 0.429 | 69% | 0.685 | S | S | . | * | trans | -71.6 | 98.4 | 176.2 | 27.2 | -30.5 | 0 | 0 | 0 | 110 | W77 | P75-W77 VanDerWaalsContact C-N 3.3Å; P75-W77 PolarHBondContact O-N 2.9Å | ||
| 76 | R | 58.7 | Low | 55.5 | Low | 243 Ų | 243 | 136.5 Ų | 136.5 | 92% | 0.917 | 70% | 0.695 | S | S | * | * | trans | -70.6 | 84.5 | 171.4 | -175.2 | -175.5 | 163.4 | 105.1 | -1.4 | 109.9 | E74 | E74-R76 PolarHBondContact O-N 2.94Š| ||
| 77 | W | 48.1 | Very low | 54.5 | Low | 212 Ų | 212 | 139.6 Ų | 139.6 | 80% | 0.803 | 71% | 0.711 | S | S | * | * | trans | -64.6 | 134.3 | 162.8 | -58.2 | 89.7 | 0 | 0 | 0 | 109 | P75 N79 | P75-W77 VanDerWaalsContact C-N 3.3Å; P75-W77 PolarHBondContact O-N 2.9Å; W77-N79 PolarHBondContact O-N 3.22Å | ||
| 78 | P | 52.2 | Low | 53.7 | Low | 117 Ų | 117 | 138.6 Ų | 138.6 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | trans | -65.8 | 113.1 | 168.3 | 26.3 | -30 | 0 | 0 | 0 | 108 | R80 | P78-R80 PolarHBondContact O-N 3.05Š| ||
| 79 | N | 53.3 | Low | 53.1 | Low | 89 Ų | 89 | 142.4 Ų | 142.4 | 48% | 0.476 | 76% | 0.763 | S | S | . | * | trans | -62.2 | 118.1 | -179.7 | -178.4 | -3.3 | 0 | 0 | 0 | 110.5 | W77 N81 S82 | W77-N79 PolarHBondContact O-N 3.22Å; N79-N81 VanDerWaalsContact CG-CG 3.46Å; N79-N81 PolarHBondContact ND2-ND2 2.83Å; N79-N81 PolarHBondContact ND2-OD1 3.05Å; N79-N81 PolarHBondContact O-N 3.05Å; N79-N81 VanDerWaalsContact O-N 3.11Å; N79-N81 PolarHBondContact OD1-N 3.46Å; N79-N81 VanDerWaalsContact OD1-N 3.12Å; N79-N81 PolarHBondContact OD1-ND2 2.97Å; N79-N81 PolarHBondContact OD1-OD1 3.12Å; N79-S82 WeakPolarHBondContact O-CB 3.43Å; N79-S82 PolarHBondContact O-N 3.11Å; N79-S82 PolarHBondContact O-OG 2.84Å | ||
| 80 | R | 59.7 | Low | 52.7 | Low | 248 Ų | 248 | 141.1 Ų | 141.1 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -11.1 | -179.8 | -71.4 | -176.5 | -145.6 | -109.8 | -0.5 | 114.5 | P78 S82 | P78-R80 PolarHBondContact O-N 3.05Å; R80-S82 VanDerWaalsContact C-N 3.28Å |
| 81 | N | 51.6 | Low | 52.5 | Low | 116 Ų | 116 | 140.5 Ų | 140.5 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 14.1 | 171.7 | 62.9 | 38 | 0 | 0 | 0 | 113.7 | N79 S83 | N79-N81 VanDerWaalsContact CG-CG 3.46Å; N79-N81 PolarHBondContact ND2-ND2 2.83Å; N79-N81 PolarHBondContact ND2-OD1 3.05Å; N79-N81 PolarHBondContact O-N 3.05Å; N79-N81 VanDerWaalsContact O-N 3.11Å; N79-N81 PolarHBondContact OD1-N 3.46Å; N79-N81 VanDerWaalsContact OD1-N 3.12Å; N79-N81 PolarHBondContact OD1-ND2 2.97Å; N79-N81 PolarHBondContact OD1-OD1 3.12Å; N81-S83 PolarHBondContact O-N 2.68Å |
| 82 | S | 50.7 | Low | 52.2 | Low | 97 Ų | 97 | 142.6 Ų | 142.6 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | -78.3 | 42.4 | 166.7 | -45.9 | 0 | 0 | 0 | 0 | 112 | N79 R80 | N79-S82 WeakPolarHBondContact O-CB 3.43Å; N79-S82 PolarHBondContact O-N 3.11Å; N79-S82 PolarHBondContact O-OG 2.84Å; R80-S82 VanDerWaalsContact C-N 3.28Å | ||
| 83 | S | 55.3 | Low | 52.1 | Low | 104 Ų | 104 | 146.6 Ų | 146.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -98.1 | 127.4 | 153.9 | -84.4 | 0 | 0 | 0 | 0 | 106.1 | N81 | N81-S83 PolarHBondContact O-N 2.68Š| ||
| 84 | S | 63.8 | Low | 51.8 | Low | 101 Ų | 101 | 145.7 Ų | 145.7 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 86.4 | 100.3 | -174.5 | -148.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 85 | L | 48.9 | Very low | 51.7 | Low | 147 Ų | 147 | 143.2 Ų | 143.2 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | 175.5 | 117.9 | 96.3 | -85.3 | 164.4 | 0 | 0 | 0 | 110 | |||||
| 86 | Q | 48.3 | Very low | 51.3 | Low | 146 Ų | 146 | 148.7 Ų | 148.7 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | trans | 62.3 | 104.5 | 139.8 | -137.4 | 69.4 | 26.4 | 0 | 0 | 119.4 | P88 | Q86-P88 HydrophobicContact CG-CB 4.33Å; Q86-P88 HydrophobicContact CG-CG 3.75Å; Q86-P88 WeakPolarHBondContact O-CD 3.48Å | ||
| 87 | L | 41.7 | Very low | 50.7 | Low | 183 Ų | 183 | 141.5 Ų | 141.5 | 96% | 0.958 | 79% | 0.789 | S | S | * | * | trans | -97 | 110.5 | 140.9 | -69.3 | 175.9 | 0 | 0 | 0 | 108.3 | ||||
| 88 | P | 41 | Very low | 51 | Low | 97 Ų | 97 | 135.6 Ų | 135.6 | 63% | 0.63 | 79% | 0.787 | S | S | * | * | trans | -110.3 | 143.3 | 159.7 | 33.4 | -20.2 | 0 | 0 | 0 | 112.5 | Q86 | Q86-P88 HydrophobicContact CG-CB 4.33Å; Q86-P88 HydrophobicContact CG-CG 3.75Å; Q86-P88 WeakPolarHBondContact O-CD 3.48Å | ||
| 89 | A | 45 | Very low | 50.8 | Low | 182 Ų | 182 | 137.3 Ų | 137.3 | 100% | 1.504 | 79% | 0.79 | S | S | * | * | trans | 74.7 | 0 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.7 |
Retrieved 89 of 89 residues in 35.7 ms
(Link to these results)