| 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 | 44.9 | Very low | 46.5 | Very low | 240 Ų | 240 | 142.3 Ų | 142.3 | 100% | 1.182 | 79% | 0.785 | S | S | * | * | 0 | 95.3 | 0 | -75.8 | 160.4 | 152.4 | 0 | 0 | 104.5 | |||||
| 2 | A | 45.7 | Very low | 46.7 | Very low | 82 Ų | 82 | 145.5 Ų | 145.5 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | 49.5 | 116 | 64 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 3 | D | 44.6 | Very low | 46.2 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | -161.3 | 138.2 | 51 | -79.5 | -76.1 | 0 | 0 | 0 | 109.3 | |||||
| 4 | D | 46.7 | Very low | 46.3 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 67% | 0.668 | 79% | 0.794 | S | S | * | * | 90.2 | 122.6 | 96.5 | -168.9 | -118 | 0 | 0 | 0 | 113.5 | |||||
| 5 | H | 52.8 | Low | 45.8 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | trans | -172.4 | 104.7 | 136.9 | -107.6 | -57.4 | 0 | 0 | 0 | 111.9 | ||||
| 6 | T | 50.8 | Low | 45.3 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 59% | 0.589 | 80% | 0.796 | S | S | * | * | 48.1 | 105.6 | 126 | -42.9 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 7 | D | 44.3 | Very low | 45.2 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -81.8 | 129.6 | 157.4 | -149.6 | -74.6 | 0 | 0 | 0 | 109.2 | ||||
| 8 | P | 48.9 | Very low | 45 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | trans | -128.6 | 122 | 151 | 33.6 | -19.4 | 0 | 0 | 0 | 112 | ||||
| 9 | D | 38.8 | Very low | 45.5 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | 75.2 | 115.6 | 127.3 | -146.7 | -119.4 | 0 | 0 | 0 | 119.3 | S11 | D9-S11 PolarHBondContact O-N 3.14Š| |||
| 10 | Q | 48.1 | Very low | 45.6 | Very low | 189 Ų | 189 | 142.1 Ų | 142.1 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -58.1 | 126 | 165.9 | -69.7 | 166.7 | 27.7 | 0 | 0 | 110.7 | ||||
| 11 | S | 45.5 | Very low | 45.8 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -130 | 111.8 | 157.6 | -66.6 | 0 | 0 | 0 | 0 | 108.6 | D9 | D9-S11 PolarHBondContact O-N 3.14Š| ||
| 12 | M | 48.8 | Very low | 46.2 | Very low | 181 Ų | 181 | 134.5 Ų | 134.5 | 89% | 0.892 | 76% | 0.762 | S | S | * | * | trans | -51.4 | 143.4 | 160.2 | -76.8 | -178.3 | 170.6 | 0 | 0 | 109.4 | ||||
| 13 | E | 40.7 | Very low | 46.4 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -179.2 | 121.1 | 130.5 | -97.2 | 166.7 | 149.5 | 0 | 0 | 110.3 | ||||
| 14 | G | 47 | Very low | 46.7 | Very low | 70 Ų | 70 | 130.5 Ų | 130.5 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | -71.5 | 153.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 15 | H | 39.1 | Very low | 46.8 | Very low | 190 Ų | 190 | 132.6 Ų | 132.6 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | trans | -138.2 | 127.6 | 154.4 | -78.7 | 88.9 | 0 | 0 | 0 | 109.2 | ||||
| 16 | T | 38.8 | Very low | 46.8 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | trans | -62.8 | 157.4 | -169.4 | 43.6 | 0 | 0 | 0 | 0 | 115.1 | V18 | T16-V18 PolarHBondContact O-N 3.09Š| ||
| 17 | P | 43.3 | Very low | 47 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | trans | -68 | 119 | 170.5 | 29.8 | -32.2 | 0 | 0 | 0 | 109.4 | S19 | P17-S19 PolarHBondContact O-N 2.89Š| ||
| 18 | V | 41.6 | Very low | 47.6 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 75% | 0.745 | 70% | 0.701 | S | S | * | * | trans | -74.4 | 93.1 | 171.2 | -164.2 | 0 | 0 | 0 | 0 | 106.9 | T16 E20 | T16-V18 PolarHBondContact O-N 3.09Å; V18-E20 HydrophobicContact CG1-CG 4.36Å; V18-E20 PolarHBondContact O-N 3Å | ||
| 19 | S | 54.1 | Low | 48.2 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 76% | 0.762 | 69% | 0.685 | S | S | * | * | trans | -73.2 | 88.1 | 162.1 | 69.5 | 0 | 0 | 0 | 0 | 107 | P17 N21 | P17-S19 PolarHBondContact O-N 2.89Å; S19-N21 VanDerWaalsContact C-N 3.28Å; S19-N21 PolarHBondContact O-N 3.18Å | ||
| 20 | E | 48.4 | Very low | 49.3 | Very low | 174 Ų | 174 | 121.7 Ų | 121.7 | 81% | 0.813 | 68% | 0.678 | S | S | * | * | trans | -61.6 | 98.1 | 163.8 | -101.6 | 174.1 | 77.1 | 0 | 0 | 107.2 | V18 P22 | V18-E20 HydrophobicContact CG1-CG 4.36Å; V18-E20 PolarHBondContact O-N 3Å; E20-P22 VanDerWaalsContact O-CD 3.23Å; E20-P22 WeakPolarHBondContact O-CD 3.24Å | ||
| 21 | N | 49.2 | Very low | 50 | Low | 109 Ų | 109 | 116.5 Ų | 116.5 | 58% | 0.583 | 66% | 0.656 | S | S | * | * | trans | -80.8 | 106.7 | 168.9 | -154.3 | 21.1 | 0 | 0 | 0 | 105.2 | S19 H23 A24 | S19-N21 VanDerWaalsContact C-N 3.28Å; S19-N21 PolarHBondContact O-N 3.18Å; N21-H23 PolarHBondContact O-N 2.74Å; N21-A24 PolarHBondContact O-N 3.46Å | ||
| 22 | P | 52.8 | Low | 51 | Low | 114 Ų | 114 | 116.9 Ų | 116.9 | 74% | 0.74 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 13.3 | -167.3 | 28.2 | -36.3 | 0 | 0 | 0 | 114.3 | E20 | E20-P22 VanDerWaalsContact O-CD 3.23Å; E20-P22 WeakPolarHBondContact O-CD 3.24Å |
| 23 | H | 50.9 | Low | 51.7 | Low | 79 Ų | 79 | 113.6 Ų | 113.6 | 37% | 0.366 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.2 | -3.7 | -175 | -142.2 | 49.8 | 0 | 0 | 0 | 113.6 | N21 E25 L28 | N21-H23 PolarHBondContact O-N 2.74Å; H23-E25 VanDerWaalsContact C-N 3.26Å; H23-E25 PolarHBondContact O-N 2.87Å; H23-L28 WeakPolarHBondContact CD2-CB 3.11Å; H23-L28 VanDerWaalsContact CE1-CD2 3.44Å; H23-L28 WeakPolarHBondContact CE1-CD2 3.33Å; H23-L28 WeakPolarHBondContact NE2-CB 3.19Å; H23-L28 WeakPolarHBondContact NE2-CD2 3.19Å |
| 24 | A | 50.7 | Low | 52.9 | Low | 70 Ų | 70 | 111 Ų | 111 | 58% | 0.579 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -30.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N21 F26 | N21-A24 PolarHBondContact O-N 3.46Å; A24-F26 VanDerWaalsContact C-N 3.32Å; A24-F26 PolarHBondContact O-N 3.44Å |
| 25 | E | 47.6 | Very low | 53.7 | Low | 170 Ų | 170 | 111.4 Ų | 111.4 | 79% | 0.794 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -25.6 | -177.3 | -159.8 | -176 | 113.4 | 0 | 0 | 113.3 | H23 | H23-E25 VanDerWaalsContact C-N 3.26Å; H23-E25 PolarHBondContact O-N 2.87Å |
| 26 | F | 53.4 | Low | 55.1 | Low | 142 Ų | 142 | 106 Ų | 106 | 62% | 0.623 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 6.7 | -174.2 | -66.5 | -78.1 | 0 | 0 | 0 | 114.3 | A24 L28 | A24-F26 VanDerWaalsContact C-N 3.32Å; A24-F26 PolarHBondContact O-N 3.44Å; F26-L28 PolarHBondContact O-N 3.43Å |
| 27 | G | 55 | Low | 56.2 | Low | 30 Ų | 30 | 105.6 Ų | 105.6 | 31% | 0.309 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 60.4 | 10.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T29 E30 N31 | G27-T29 VanDerWaalsContact C-N 3.29Å; G27-T29 PolarHBondContact O-N 3.46Å; G27-E30 PolarHBondContact O-N 3.04Å; G27-N31 PolarHBondContact O-N 2.93Å; G27-N31 PolarHBondContact O-ND2 3.04Å; G27-N31 VanDerWaalsContact O-ND2 3.1Å |
| 28 | L | 57.2 | Low | 57 | Low | 85 Ų | 85 | 104.8 Ų | 104.8 | 45% | 0.445 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.9 | -25.4 | 179.9 | -112.8 | 74.5 | 0 | 0 | 0 | 111.8 | H23 F26 E30 L32 | H23-L28 WeakPolarHBondContact CD2-CB 3.11Å; H23-L28 VanDerWaalsContact CE1-CD2 3.44Å; H23-L28 WeakPolarHBondContact CE1-CD2 3.33Å; H23-L28 WeakPolarHBondContact NE2-CB 3.19Å; H23-L28 WeakPolarHBondContact NE2-CD2 3.19Å; F26-L28 PolarHBondContact O-N 3.43Å; L28-E30 VanDerWaalsContact C-N 3.33Å; L28-E30 PolarHBondContact O-N 2.95Å; L28-L32 WeakPolarHBondContact O-CB 2.83Å; L28-L32 PolarHBondContact O-N 3.39Å |
| 29 | T | 61.9 | Low | 57.8 | Low | 59 Ų | 59 | 105.2 Ų | 105.2 | 36% | 0.362 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.1 | -43.1 | 171.6 | 46.9 | 0 | 0 | 0 | 0 | 111.6 | G27 Q33 | G27-T29 VanDerWaalsContact C-N 3.29Å; G27-T29 PolarHBondContact O-N 3.46Å; T29-Q33 WeakPolarHBondContact O-CB 3.31Å; T29-Q33 PolarHBondContact O-N 3.12Å |
| 30 | E | 61 | Low | 57.9 | Low | 124 Ų | 124 | 106.4 Ų | 106.4 | 58% | 0.579 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -73.5 | -37.8 | -178.9 | -167.2 | 169.6 | 130.3 | 0 | 0 | 112.5 | G27 L28 Q33 R34 | G27-E30 PolarHBondContact O-N 3.04Å; L28-E30 VanDerWaalsContact C-N 3.33Å; L28-E30 PolarHBondContact O-N 2.95Å; E30-Q33 PolarHBondContact O-N 3.07Å; E30-R34 VanDerWaalsContact O-CB 3.25Å; E30-R34 WeakPolarHBondContact O-CB 3.37Å; E30-R34 PolarHBondContact O-N 3.45Å; E30-R34 IonicContact OE1-NH2 2.95Å; E30-R34 PolarHBondContact OE1-NH2 3.48Å |
| 31 | N | 62.7 | Low | 58.1 | Low | 80 Ų | 80 | 100 Ų | 100 | 43% | 0.428 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.9 | -37.8 | 175.8 | -68.5 | -46.3 | 0 | 0 | 0 | 112.2 | G27 R34 T35 | G27-N31 PolarHBondContact O-N 2.93Å; G27-N31 PolarHBondContact O-ND2 3.04Å; G27-N31 VanDerWaalsContact O-ND2 3.1Å; N31-R34 PolarHBondContact O-N 3.45Å; N31-R34 PolarHBondContact OD1-NH1 2.81Å; N31-T35 WeakPolarHBondContact O-CB 3.26Å; N31-T35 PolarHBondContact O-N 3.31Å; N31-T35 PolarHBondContact O-OG1 2.91Å |
| 32 | L | 66.8 | Low | 58.3 | Low | 115 Ų | 115 | 98.4 Ų | 98.4 | 60% | 0.602 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.5 | -47.1 | 173.4 | -174.3 | 64.1 | 0 | 0 | 0 | 110.4 | L28 R34 T35 V36 | L28-L32 WeakPolarHBondContact O-CB 2.83Å; L28-L32 PolarHBondContact O-N 3.39Å; L32-R34 VanDerWaalsContact C-N 3.32Å; L32-R34 PolarHBondContact O-N 2.93Å; L32-T35 PolarHBondContact O-N 3.04Å; L32-T35 VanDerWaalsContact O-N 3.11Å; L32-V36 HydrophobicContact CD1-CG2 4.4Å; L32-V36 HydrophobicContact CG-CG2 4.32Å; L32-V36 WeakPolarHBondContact O-CG2 3.27Å; L32-V36 PolarHBondContact O-N 3.43Å |
| 33 | Q | 63.3 | Low | 58.3 | Low | 112 Ų | 112 | 96 Ų | 96 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.1 | -45.9 | 175.1 | -169.4 | 70 | 21.5 | 0 | 0 | 111.5 | T29 E30 T35 V36 E37 | T29-Q33 WeakPolarHBondContact O-CB 3.31Å; T29-Q33 PolarHBondContact O-N 3.12Å; E30-Q33 PolarHBondContact O-N 3.07Å; Q33-T35 VanDerWaalsContact C-N 3.33Å; Q33-T35 PolarHBondContact O-N 2.66Å; Q33-V36 PolarHBondContact O-N 2.86Å; Q33-E37 PolarHBondContact NE2-OE1 3.36Å; Q33-E37 WeakPolarHBondContact O-CB 3.34Å; Q33-E37 VanDerWaalsContact O-CG 3.29Å; Q33-E37 WeakPolarHBondContact O-CG 3.21Å; Q33-E37 PolarHBondContact O-N 2.97Å |
| 34 | R | 65.3 | Low | 58.3 | Low | 132 Ų | 132 | 97.3 Ų | 97.3 | 50% | 0.498 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -35.1 | 177 | -167.9 | 179.9 | -64.9 | 145.1 | 2.1 | 112.6 | E30 N31 L32 N38 | E30-R34 VanDerWaalsContact O-CB 3.25Å; E30-R34 WeakPolarHBondContact O-CB 3.37Å; E30-R34 PolarHBondContact O-N 3.45Å; E30-R34 IonicContact OE1-NH2 2.95Å; E30-R34 PolarHBondContact OE1-NH2 3.48Å; N31-R34 PolarHBondContact O-N 3.45Å; N31-R34 PolarHBondContact OD1-NH1 2.81Å; L32-R34 VanDerWaalsContact C-N 3.32Å; L32-R34 PolarHBondContact O-N 2.93Å; R34-N38 VanDerWaalsContact O-CB 3.23Å; R34-N38 WeakPolarHBondContact O-CB 3.41Å; R34-N38 PolarHBondContact O-N 3.29Å |
| 35 | T | 64.8 | Low | 58 | Low | 79 Ų | 79 | 101.1 Ų | 101.1 | 49% | 0.485 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.8 | -43.4 | 176.7 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | N31 L32 Q33 N38 E39 | N31-T35 WeakPolarHBondContact O-CB 3.26Å; N31-T35 PolarHBondContact O-N 3.31Å; N31-T35 PolarHBondContact O-OG1 2.91Å; L32-T35 PolarHBondContact O-N 3.04Å; L32-T35 VanDerWaalsContact O-N 3.11Å; Q33-T35 VanDerWaalsContact C-N 3.33Å; Q33-T35 PolarHBondContact O-N 2.66Å; T35-N38 PolarHBondContact O-N 3.08Å; T35-E39 PolarHBondContact O-N 3.04Å |
| 36 | V | 68.6 | Low | 58.1 | Low | 78 Ų | 78 | 100.3 Ų | 100.3 | 47% | 0.473 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.5 | -37.1 | 177.8 | -171.1 | 0 | 0 | 0 | 0 | 110.7 | L32 Q33 K40 | L32-V36 HydrophobicContact CD1-CG2 4.4Å; L32-V36 HydrophobicContact CG-CG2 4.32Å; L32-V36 WeakPolarHBondContact O-CG2 3.27Å; L32-V36 PolarHBondContact O-N 3.43Å; Q33-V36 PolarHBondContact O-N 2.86Å; V36-K40 VanDerWaalsContact O-CB 3.27Å; V36-K40 WeakPolarHBondContact O-CB 3.37Å; V36-K40 PolarHBondContact O-N 3.42Å |
| 37 | E | 62.4 | Low | 57.8 | Low | 109 Ų | 109 | 97.1 Ų | 97.1 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -36.7 | 172.8 | -77.1 | 171.5 | 171.5 | 0 | 0 | 112.4 | Q33 K40 A41 | Q33-E37 PolarHBondContact NE2-OE1 3.36Å; Q33-E37 WeakPolarHBondContact O-CB 3.34Å; Q33-E37 VanDerWaalsContact O-CG 3.29Å; Q33-E37 WeakPolarHBondContact O-CG 3.21Å; Q33-E37 PolarHBondContact O-N 2.97Å; E37-K40 PolarHBondContact O-N 2.91Å; E37-A41 WeakPolarHBondContact O-CB 3.27Å; E37-A41 PolarHBondContact O-N 3.47Å |
| 38 | N | 58.7 | Low | 57.4 | Low | 108 Ų | 108 | 104 Ų | 104 | 58% | 0.578 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.9 | -35.5 | 176.1 | -166.3 | 66.4 | 0 | 0 | 0 | 112.2 | R34 T35 A41 T42 | R34-N38 VanDerWaalsContact O-CB 3.23Å; R34-N38 WeakPolarHBondContact O-CB 3.41Å; R34-N38 PolarHBondContact O-N 3.29Å; T35-N38 PolarHBondContact O-N 3.08Å; N38-A41 PolarHBondContact O-N 3.32Å; N38-T42 PolarHBondContact O-N 2.94Å; N38-T42 PolarHBondContact O-OG1 3.44Å |
| 39 | E | 59 | Low | 57.2 | Low | 132 Ų | 132 | 107.4 Ų | 107.4 | 62% | 0.617 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.6 | -42.1 | 169.6 | -83.7 | -162.1 | 102.1 | 0 | 0 | 111.8 | T35 T42 A43 | T35-E39 PolarHBondContact O-N 3.04Å; E39-T42 VanDerWaalsContact CA-OG1 3.27Å; E39-T42 WeakPolarHBondContact CA-OG1 3.44Å; E39-T42 PolarHBondContact O-N 3.5Å; E39-T42 PolarHBondContact O-OG1 3.24Å; E39-A43 WeakPolarHBondContact O-CB 3.46Å; E39-A43 PolarHBondContact O-N 3.02Å |
| 40 | K | 55.7 | Low | 57.2 | Low | 134 Ų | 134 | 114.1 Ų | 114.1 | 58% | 0.583 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.9 | -40.8 | 174 | -169.1 | -180 | 175.8 | -169.9 | 0 | 111.2 | V36 E37 T42 A43 E44 | V36-K40 VanDerWaalsContact O-CB 3.27Å; V36-K40 WeakPolarHBondContact O-CB 3.37Å; V36-K40 PolarHBondContact O-N 3.42Å; E37-K40 PolarHBondContact O-N 2.91Å; K40-T42 VanDerWaalsContact C-N 3.35Å; K40-T42 PolarHBondContact O-N 2.8Å; K40-A43 PolarHBondContact O-N 3.49Å; K40-E44 HydrophobicContact CG-CG 4.36Å; K40-E44 VanDerWaalsContact O-CB 3.27Å; K40-E44 WeakPolarHBondContact O-CB 3.27Å; K40-E44 VanDerWaalsContact O-CG 3.26Å; K40-E44 WeakPolarHBondContact O-CG 3.29Å; K40-E44 PolarHBondContact O-N 2.86Å |
| 41 | A | 53.2 | Low | 57.8 | Low | 40 Ų | 40 | 111.3 Ų | 111.3 | 33% | 0.331 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.9 | -29.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E37 N38 K45 | E37-A41 WeakPolarHBondContact O-CB 3.27Å; E37-A41 PolarHBondContact O-N 3.47Å; N38-A41 PolarHBondContact O-N 3.32Å; A41-K45 WeakPolarHBondContact O-CB 3.34Å; A41-K45 WeakPolarHBondContact O-CD 3.25Å; A41-K45 WeakPolarHBondContact O-CG 3.23Å; A41-K45 PolarHBondContact O-N 2.86Å |
| 42 | T | 53.7 | Low | 58.9 | Low | 74 Ų | 74 | 112.4 Ų | 112.4 | 45% | 0.454 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -77.5 | -38.4 | 173.5 | 34.4 | 0 | 0 | 0 | 0 | 111.9 | N38 E39 K40 K45 L46 | N38-T42 PolarHBondContact O-N 2.94Å; N38-T42 PolarHBondContact O-OG1 3.44Å; E39-T42 VanDerWaalsContact CA-OG1 3.27Å; E39-T42 WeakPolarHBondContact CA-OG1 3.44Å; E39-T42 PolarHBondContact O-N 3.5Å; E39-T42 PolarHBondContact O-OG1 3.24Å; K40-T42 VanDerWaalsContact C-N 3.35Å; K40-T42 PolarHBondContact O-N 2.8Å; T42-K45 PolarHBondContact O-N 2.7Å; T42-L46 PolarHBondContact O-N 2.95Å |
| 43 | A | 53 | Low | 59.9 | Low | 63 Ų | 63 | 110.1 Ų | 110.1 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.1 | -36.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E39 K40 | E39-A43 WeakPolarHBondContact O-CB 3.46Å; E39-A43 PolarHBondContact O-N 3.02Å; K40-A43 PolarHBondContact O-N 3.49Å |
| 44 | E | 50.2 | Low | 61.1 | Low | 107 Ų | 107 | 112.3 Ų | 112.3 | 50% | 0.5 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -83.8 | -16.9 | 177 | -66.8 | -153.6 | 104.5 | 0 | 0 | 114 | K40 S47 | K40-E44 HydrophobicContact CG-CG 4.36Å; K40-E44 VanDerWaalsContact O-CB 3.27Å; K40-E44 WeakPolarHBondContact O-CB 3.27Å; K40-E44 VanDerWaalsContact O-CG 3.26Å; K40-E44 WeakPolarHBondContact O-CG 3.29Å; K40-E44 PolarHBondContact O-N 2.86Å; E44-S47 WeakPolarHBondContact CA-OG 3.21Å; E44-S47 PolarHBondContact O-N 2.86Å; E44-S47 PolarHBondContact O-OG 3.39Å |
| 45 | K | 45.2 | Very low | 62.4 | Low | 151 Ų | 151 | 109.7 Ų | 109.7 | 66% | 0.657 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -77.9 | -28.7 | 168.9 | -82.9 | 167.2 | -175.2 | -93.8 | 0 | 112.3 | A41 T42 S47 Q49 | A41-K45 WeakPolarHBondContact O-CB 3.34Å; A41-K45 WeakPolarHBondContact O-CD 3.25Å; A41-K45 WeakPolarHBondContact O-CG 3.23Å; A41-K45 PolarHBondContact O-N 2.86Å; T42-K45 PolarHBondContact O-N 2.7Å; K45-S47 PolarHBondContact O-N 3.23Å; K45-Q49 PolarHBondContact O-N 3.49Å |
| 46 | L | 49 | Very low | 63.7 | Low | 152 Ų | 152 | 107.9 Ų | 107.9 | 80% | 0.796 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.7 | -24.4 | 168.5 | -78 | 158.7 | 0 | 0 | 0 | 112.3 | T42 | T42-L46 PolarHBondContact O-N 2.95Å |
| 47 | S | 47.5 | Very low | 65 | Low | 76 Ų | 76 | 108.7 Ų | 108.7 | 53% | 0.531 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -4.4 | -175.1 | 69.7 | 0 | 0 | 0 | 0 | 115.5 | E44 K45 | E44-S47 WeakPolarHBondContact CA-OG 3.21Å; E44-S47 PolarHBondContact O-N 2.86Å; E44-S47 PolarHBondContact O-OG 3.39Å; K45-S47 PolarHBondContact O-N 3.23Å |
| 48 | K | 46.6 | Very low | 66.7 | Low | 175 Ų | 175 | 108.8 Ų | 108.8 | 76% | 0.761 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.6 | -1 | -177.9 | -75.4 | 178.4 | -176 | 163.9 | 0 | 116.1 | K50 | K48-K50 PolarHBondContact O-N 2.89Š|
| 49 | Q | 53.6 | Low | 68.5 | Low | 155 Ų | 155 | 113 Ų | 113 | 72% | 0.724 | 58% | 0.584 | S | S | * | * | trans | -73.7 | 89 | 165.1 | -167.6 | 168.9 | -11.5 | 0 | 0 | 106.7 | K45 V51 | K45-Q49 PolarHBondContact O-N 3.49Å; Q49-V51 PolarHBondContact O-N 3.33Å | ||
| 50 | K | 62 | Low | 70.3 | Confident | 201 Ų | 201 | 108.2 Ų | 108.2 | 87% | 0.874 | 57% | 0.567 | S | S | * | * | trans | -50.8 | 98 | 163.6 | -77.2 | 176.1 | 174.1 | -83.6 | 0 | 105.7 | K48 D52 | K48-K50 PolarHBondContact O-N 2.89Å; K50-D52 PolarHBondContact O-N 3.42Å | ||
| 51 | V | 72.2 | Confident | 72.2 | Confident | 65 Ų | 65 | 106 Ų | 106 | 39% | 0.394 | 56% | 0.556 | S | S | . | * | trans | -60.2 | 122.2 | 175 | 173.5 | 0 | 0 | 0 | 0 | 104.8 | Q49 L53 L56 | Q49-V51 PolarHBondContact O-N 3.33Å; V51-L53 VanDerWaalsContact C-N 3.34Å; V51-L53 PolarHBondContact O-N 2.91Å; V51-L56 HydrophobicContact CG1-CD1 3.8Å; V51-L56 HydrophobicContact CG1-CD2 3.62Å; V51-L56 HydrophobicContact CG1-CG 3.82Å | ||
| 52 | D | 85.8 | Confident | 74.3 | Confident | 102 Ų | 102 | 107.6 Ų | 107.6 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | trans | -67.7 | 99.6 | 175.7 | -179.7 | 10.4 | 0 | 0 | 0 | 107.9 | K50 Q54 A55 | K50-D52 PolarHBondContact O-N 3.42Å; D52-Q54 PolarHBondContact O-N 2.89Å; D52-Q54 VanDerWaalsContact O-N 3.09Å; D52-Q54 PolarHBondContact OD1-N 2.73Å; D52-Q54 VanDerWaalsContact OD1-N 3.14Å; D52-A55 HydrophobicContact CB-CB 4.17Å; D52-A55 PolarHBondContact O-N 3.5Å | ||
| 53 | L | 87.7 | Confident | 76.3 | Confident | 68 Ų | 68 | 107.6 Ų | 107.6 | 36% | 0.356 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -56 | -28.2 | -177.7 | -65.6 | 178.3 | 0 | 0 | 0 | 111.5 | V51 A55 L56 Y61 T65 | V51-L53 VanDerWaalsContact C-N 3.34Å; V51-L53 PolarHBondContact O-N 2.91Å; L53-A55 VanDerWaalsContact C-N 3.34Å; L53-L56 HydrophobicContact CD2-CD1 3.91Å; L53-Y61 HydrophobicContact CB-CD2 4.08Å; L53-Y61 HydrophobicContact CB-CE2 4.05Å; L53-Y61 VanDerWaalsContact O-CD2 3.24Å; L53-Y61 WeakPolarHBondContact O-CD2 3.36Å; L53-T65 HydrophobicContact CD1-CG2 4.22Å; L53-T65 HydrophobicContact CD2-CG2 4.42Å |
| 54 | Q | 88.3 | Confident | 78.2 | Confident | 158 Ų | 158 | 108.1 Ų | 108.1 | 74% | 0.738 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -76 | -22.2 | -179.3 | -59.6 | -57.9 | -69.4 | 0 | 0 | 113.3 | D52 | D52-Q54 PolarHBondContact O-N 2.89Å; D52-Q54 VanDerWaalsContact O-N 3.09Å; D52-Q54 PolarHBondContact OD1-N 2.73Å; D52-Q54 VanDerWaalsContact OD1-N 3.14Å |
| 55 | A | 92.4 | Very high | 80.2 | Confident | 76 Ų | 76 | 104.9 Ų | 104.9 | 63% | 0.628 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -90.2 | -7.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | D52 L53 | D52-A55 HydrophobicContact CB-CB 4.17Å; D52-A55 PolarHBondContact O-N 3.5Å; L53-A55 VanDerWaalsContact C-N 3.34Å |
| 56 | L | 92.6 | Very high | 82.7 | Confident | 41 Ų | 41 | 100.4 Ų | 100.4 | 22% | 0.215 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -71.1 | 143.4 | -176.9 | -74.3 | 178.6 | 0 | 0 | 0 | 112.1 | V51 L53 A60 | V51-L56 HydrophobicContact CG1-CD1 3.8Å; V51-L56 HydrophobicContact CG1-CD2 3.62Å; V51-L56 HydrophobicContact CG1-CG 3.82Å; L53-L56 HydrophobicContact CD2-CD1 3.91Å; L56-A60 HydrophobicContact CB-CB 4.33Å; L56-A60 HydrophobicContact CD1-CB 4.46Å; L56-A60 HydrophobicContact CD2-CB 4.21Å |
| 57 | P | 97.2 | Very high | 85 | Confident | 95 Ų | 95 | 95.1 Ų | 95.1 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | trans | -54.5 | 145.2 | 163.1 | -23.3 | 33.5 | 0 | 0 | 0 | 110.7 | R59 A60 Y61 | P57-R59 PolarHBondContact O-N 2.96Å; P57-A60 PolarHBondContact O-N 3.11Å; P57-Y61 PolarHBondContact O-N 2.9Å | ||
| 58 | T | 97.1 | Very high | 87.4 | Confident | 111 Ų | 111 | 94.2 Ų | 94.2 | 68% | 0.681 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -48.3 | -43.7 | -173.2 | -51 | 0 | 0 | 0 | 0 | 113.4 | Y61 L62 | T58-Y61 PolarHBondContact O-N 3.1Å; T58-L62 HydrophobicContact CG2-CD1 4.17Å; T58-L62 WeakPolarHBondContact O-CG 2.98Å; T58-L62 PolarHBondContact O-N 3.37Å; T58-L62 VanDerWaalsContact O-N 3.08Å |
| 59 | R | 97.5 | Very high | 89.8 | Confident | 197 Ų | 197 | 86.6 Ų | 86.6 | 74% | 0.743 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.2 | -48 | 179.6 | -174.1 | 175.1 | -173.8 | 129.6 | 2.4 | 112.1 | P57 Y61 L62 D63 | P57-R59 PolarHBondContact O-N 2.96Å; R59-Y61 VanDerWaalsContact C-N 3.34Å; R59-Y61 PolarHBondContact O-N 3.31Å; R59-L62 PolarHBondContact O-N 2.95Å; R59-D63 IonicContact NE-OD2 3.91Å; R59-D63 WeakPolarHBondContact O-CB 3.48Å; R59-D63 PolarHBondContact O-N 3.08Å |
| 60 | A | 95.6 | Very high | 92 | Very high | 31 Ų | 31 | 81.9 Ų | 81.9 | 26% | 0.256 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L56 P57 D63 Q64 | L56-A60 HydrophobicContact CB-CB 4.33Å; L56-A60 HydrophobicContact CD1-CB 4.46Å; L56-A60 HydrophobicContact CD2-CB 4.21Å; P57-A60 PolarHBondContact O-N 3.11Å; A60-D63 PolarHBondContact O-N 3.24Å; A60-Q64 WeakPolarHBondContact O-CG 3.4Å; A60-Q64 PolarHBondContact O-N 3.06Å |
| 61 | Y | 95.9 | Very high | 93.7 | Very high | 88 Ų | 88 | 77.4 Ų | 77.4 | 35% | 0.345 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59 | -48.6 | 174.3 | 175.6 | -97.3 | 0 | 0 | 0 | 111.6 | L53 P57 T58 R59 Q64 T65 | L53-Y61 HydrophobicContact CB-CD2 4.08Å; L53-Y61 HydrophobicContact CB-CE2 4.05Å; L53-Y61 VanDerWaalsContact O-CD2 3.24Å; L53-Y61 WeakPolarHBondContact O-CD2 3.36Å; P57-Y61 PolarHBondContact O-N 2.9Å; T58-Y61 PolarHBondContact O-N 3.1Å; R59-Y61 VanDerWaalsContact C-N 3.34Å; R59-Y61 PolarHBondContact O-N 3.31Å; Y61-Q64 PolarHBondContact O-N 3.5Å; Y61-T65 HydrophobicContact CD2-CG2 4.08Å; Y61-T65 HydrophobicContact CE1-CG2 4.47Å; Y61-T65 HydrophobicContact CE2-CG2 3.81Å; Y61-T65 WeakPolarHBondContact O-CB 3.38Å; Y61-T65 VanDerWaalsContact O-CG2 3.31Å; Y61-T65 WeakPolarHBondContact O-CG2 3.32Å; Y61-T65 PolarHBondContact O-N 3.38Å; Y61-T65 PolarHBondContact O-OG1 3.3Å |
| 62 | L | 96.8 | Very high | 94.9 | Very high | 73 Ų | 73 | 79 Ų | 79 | 38% | 0.382 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 179.7 | -66.2 | 174.6 | 0 | 0 | 0 | 111.7 | T58 R59 Q64 T65 V66 V67 | T58-L62 HydrophobicContact CG2-CD1 4.17Å; T58-L62 WeakPolarHBondContact O-CG 2.98Å; T58-L62 PolarHBondContact O-N 3.37Å; T58-L62 VanDerWaalsContact O-N 3.08Å; R59-L62 PolarHBondContact O-N 2.95Å; L62-Q64 VanDerWaalsContact C-N 3.27Å; L62-Q64 PolarHBondContact O-N 3.49Å; L62-T65 PolarHBondContact O-N 3.46Å; L62-V66 HydrophobicContact CD2-CG2 3.82Å; L62-V66 PolarHBondContact O-N 3.32Å; L62-V67 VanDerWaalsContact C-CG2 3.47Å; L62-V67 HydrophobicContact CB-CG2 3.96Å; L62-V67 WeakPolarHBondContact O-CB 3.45Å; L62-V67 WeakPolarHBondContact O-CG2 3.24Å; L62-V67 PolarHBondContact O-N 3.42Å |
| 63 | D | 95.1 | Very high | 95.5 | Very high | 75 Ų | 75 | 74.2 Ų | 74.2 | 40% | 0.401 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.1 | -36.4 | 179.6 | -73.3 | -10.9 | 0 | 0 | 0 | 111.9 | R59 A60 P68 | R59-D63 IonicContact NE-OD2 3.91Å; R59-D63 WeakPolarHBondContact O-CB 3.48Å; R59-D63 PolarHBondContact O-N 3.08Å; A60-D63 PolarHBondContact O-N 3.24Å; D63-P68 WeakPolarHBondContact O-CD 3.33Å |
| 64 | Q | 93 | Very high | 96 | Very high | 74 Ų | 74 | 75 Ų | 75 | 35% | 0.346 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -85.6 | -25.4 | 178.5 | -69.4 | -165.3 | 30.8 | 0 | 0 | 114.5 | A60 Y61 L62 | A60-Q64 WeakPolarHBondContact O-CG 3.4Å; A60-Q64 PolarHBondContact O-N 3.06Å; Y61-Q64 PolarHBondContact O-N 3.5Å; L62-Q64 VanDerWaalsContact C-N 3.27Å; L62-Q64 PolarHBondContact O-N 3.49Å |
| 65 | T | 94.1 | Very high | 96.5 | Very high | 38 Ų | 38 | 71.5 Ų | 71.5 | 23% | 0.233 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -101.4 | -51.7 | -171.4 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | L53 Y61 L62 | L53-T65 HydrophobicContact CD1-CG2 4.22Å; L53-T65 HydrophobicContact CD2-CG2 4.42Å; Y61-T65 HydrophobicContact CD2-CG2 4.08Å; Y61-T65 HydrophobicContact CE1-CG2 4.47Å; Y61-T65 HydrophobicContact CE2-CG2 3.81Å; Y61-T65 WeakPolarHBondContact O-CB 3.38Å; Y61-T65 VanDerWaalsContact O-CG2 3.31Å; Y61-T65 WeakPolarHBondContact O-CG2 3.32Å; Y61-T65 PolarHBondContact O-N 3.38Å; Y61-T65 PolarHBondContact O-OG1 3.3Å; L62-T65 PolarHBondContact O-N 3.46Å |
| 66 | V | 96.8 | Very high | 96.8 | Very high | 57 Ų | 57 | 70 Ų | 70 | 35% | 0.345 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | -23.7 | -163.9 | -63.7 | 0 | 0 | 0 | 0 | 114 | L62 I69 L70 | L62-V66 HydrophobicContact CD2-CG2 3.82Å; L62-V66 PolarHBondContact O-N 3.32Å; V66-I69 VanDerWaalsContact O-CG2 3.22Å; V66-I69 WeakPolarHBondContact O-CG2 3.44Å; V66-I69 PolarHBondContact O-N 2.72Å; V66-L70 HydrophobicContact CB-CD1 3.98Å; V66-L70 HydrophobicContact CG2-CD1 3.94Å; V66-L70 WeakPolarHBondContact O-CB 3.35Å; V66-L70 VanDerWaalsContact O-CG 3.24Å; V66-L70 WeakPolarHBondContact O-CG 3.01Å; V66-L70 PolarHBondContact O-N 3.47Å |
| 67 | V | 97.7 | Very high | 97.1 | Very high | 41 Ų | 41 | 69.4 Ų | 69.4 | 25% | 0.248 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | -176.5 | 168.1 | 0 | 0 | 0 | 0 | 112.8 | L62 I69 L70 L71 | L62-V67 VanDerWaalsContact C-CG2 3.47Å; L62-V67 HydrophobicContact CB-CG2 3.96Å; L62-V67 WeakPolarHBondContact O-CB 3.45Å; L62-V67 WeakPolarHBondContact O-CG2 3.24Å; L62-V67 PolarHBondContact O-N 3.42Å; V67-I69 PolarHBondContact O-N 3.02Å; V67-L70 PolarHBondContact O-N 3.49Å; V67-L71 HydrophobicContact CG1-CD1 3.8Å; V67-L71 HydrophobicContact CG1-CG 4.05Å; V67-L71 WeakPolarHBondContact O-CG 3.22Å; V67-L71 PolarHBondContact O-N 3.38Å |
| 68 | P | 97.6 | Very high | 97.1 | Very high | 57 Ų | 57 | 68 Ų | 68 | 37% | 0.37 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | -177.5 | -25.9 | 35.7 | 0 | 0 | 0 | 112.9 | D63 Q72 F100 | D63-P68 WeakPolarHBondContact O-CD 3.33Å; P68-Q72 PolarHBondContact O-N 2.89Å; P68-F100 HydrophobicContact CB-CD1 3.93Å; P68-F100 HydrophobicContact CB-CE1 4.04Å |
| 69 | I | 97.4 | Very high | 97.2 | Very high | 16 Ų | 16 | 70.6 Ų | 70.6 | 8% | 0.082 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -71.4 | -34.9 | 179.9 | -167 | 175.9 | 0 | 0 | 0 | 111.9 | V66 V67 Q72 G73 F92 L93 N96 F100 | V66-I69 VanDerWaalsContact O-CG2 3.22Å; V66-I69 WeakPolarHBondContact O-CG2 3.44Å; V66-I69 PolarHBondContact O-N 2.72Å; V67-I69 PolarHBondContact O-N 3.02Å; I69-Q72 PolarHBondContact O-N 2.89Å; I69-G73 PolarHBondContact O-N 3.26Å; I69-F92 HydrophobicContact CG1-CE1 4.35Å; I69-L93 HydrophobicContact CB-CD2 4.26Å; I69-L93 HydrophobicContact CD1-CD2 3.88Å; I69-L93 HydrophobicContact CG1-CD2 3.68Å; I69-L93 HydrophobicContact CG2-CD2 3.84Å; I69-N96 HydrophobicContact CD1-CB 4.14Å; I69-F100 HydrophobicContact CB-CB 4.29Å; I69-F100 HydrophobicContact CB-CD1 3.81Å; I69-F100 HydrophobicContact CB-CD2 3.85Å; I69-F100 HydrophobicContact CB-CE1 4.03Å; I69-F100 HydrophobicContact CB-CE2 4.09Å; I69-F100 HydrophobicContact CB-CG 3.71Å; I69-F100 HydrophobicContact CB-CZ 4.16Å; I69-F100 HydrophobicContact CD1-CD2 3.69Å; I69-F100 HydrophobicContact CD1-CE2 4.16Å; I69-F100 HydrophobicContact CD1-CG 4.21Å; I69-F100 HydrophobicContact CG1-CD1 4.48Å; I69-F100 HydrophobicContact CG1-CD2 3.64Å; I69-F100 HydrophobicContact CG1-CE2 3.71Å; I69-F100 HydrophobicContact CG1-CG 4.05Å; I69-F100 HydrophobicContact CG1-CZ 4.16Å |
| 70 | L | 98.4 | Very high | 97.2 | Very high | 55 Ų | 55 | 66.5 Ų | 66.5 | 29% | 0.288 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 176 | -76.9 | 170.2 | 0 | 0 | 0 | 111.8 | V66 V67 Q72 G73 L74 L93 | V66-L70 HydrophobicContact CB-CD1 3.98Å; V66-L70 HydrophobicContact CG2-CD1 3.94Å; V66-L70 WeakPolarHBondContact O-CB 3.35Å; V66-L70 VanDerWaalsContact O-CG 3.24Å; V66-L70 WeakPolarHBondContact O-CG 3.01Å; V66-L70 PolarHBondContact O-N 3.47Å; V67-L70 PolarHBondContact O-N 3.49Å; L70-Q72 VanDerWaalsContact C-N 3.3Å; L70-Q72 PolarHBondContact O-N 3.39Å; L70-G73 PolarHBondContact O-N 2.92Å; L70-L74 VanDerWaalsContact O-CB 3.25Å; L70-L74 WeakPolarHBondContact O-CB 2.97Å; L70-L74 WeakPolarHBondContact O-CG 3.05Å; L70-L74 PolarHBondContact O-N 3.45Å; L70-L93 HydrophobicContact CD2-CD1 4.01Å; L70-L93 HydrophobicContact CD2-CD2 4.12Å |
| 71 | L | 98.3 | Very high | 97.3 | Very high | 108 Ų | 108 | 75 Ų | 75 | 57% | 0.565 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.2 | -42.5 | 177.6 | -72.8 | 178.4 | 0 | 0 | 0 | 111.6 | V67 S75 | V67-L71 HydrophobicContact CG1-CD1 3.8Å; V67-L71 HydrophobicContact CG1-CG 4.05Å; V67-L71 WeakPolarHBondContact O-CG 3.22Å; V67-L71 PolarHBondContact O-N 3.38Å; L71-S75 WeakPolarHBondContact O-CB 3.17Å; L71-S75 PolarHBondContact O-N 3.45Å; L71-S75 VanDerWaalsContact O-N 3.08Å; L71-S75 PolarHBondContact O-OG 3.21Å |
| 72 | Q | 98.1 | Very high | 97.4 | Very high | 99 Ų | 99 | 72.2 Ų | 72.2 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.3 | -45.3 | 176.8 | -169.4 | 163.5 | -33.7 | 0 | 0 | 111.8 | P68 I69 L70 L74 S75 V76 F92 F100 | P68-Q72 PolarHBondContact O-N 2.89Å; I69-Q72 PolarHBondContact O-N 2.89Å; L70-Q72 VanDerWaalsContact C-N 3.3Å; L70-Q72 PolarHBondContact O-N 3.39Å; Q72-L74 PolarHBondContact O-N 3.17Å; Q72-S75 WeakPolarHBondContact O-CB 3.33Å; Q72-S75 PolarHBondContact O-N 2.88Å; Q72-V76 WeakPolarHBondContact O-CG2 3.39Å; Q72-V76 PolarHBondContact O-N 3.45Å; Q72-V76 VanDerWaalsContact O-N 3.15Å; Q72-F92 HydrophobicContact CG-CZ 4.12Å; Q72-F100 HydrophobicContact CB-CZ 4.45Å |
| 73 | G | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I69 L70 V76 L77 F92 | I69-G73 PolarHBondContact O-N 3.26Å; L70-G73 PolarHBondContact O-N 2.92Å; G73-V76 PolarHBondContact O-N 3.44Å; G73-L77 VanDerWaalsContact O-CB 3.29Å; G73-L77 WeakPolarHBondContact O-CB 3.37Å; G73-L77 PolarHBondContact O-N 3.38Å; G73-F92 VanDerWaalsContact CA-CD1 3.46Å |
| 74 | L | 98.6 | Very high | 97.6 | Very high | 86 Ų | 86 | 75.3 Ų | 75.3 | 45% | 0.45 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.8 | -37 | 176.7 | -71.7 | 172 | 0 | 0 | 0 | 112.1 | L70 Q72 L77 A78 L89 | L70-L74 VanDerWaalsContact O-CB 3.25Å; L70-L74 WeakPolarHBondContact O-CB 2.97Å; L70-L74 WeakPolarHBondContact O-CG 3.05Å; L70-L74 PolarHBondContact O-N 3.45Å; Q72-L74 PolarHBondContact O-N 3.17Å; L74-L77 HydrophobicContact CD2-CD2 4.24Å; L74-L77 PolarHBondContact O-N 3.01Å; L74-A78 VanDerWaalsContact O-CB 3.28Å; L74-A78 WeakPolarHBondContact O-CB 3.44Å; L74-A78 PolarHBondContact O-N 3.45Å; L74-L89 HydrophobicContact CD2-CD2 3.97Å |
| 75 | S | 98.3 | Very high | 97.8 | Very high | 84 Ų | 84 | 74.8 Ų | 74.8 | 59% | 0.587 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 175.3 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | L71 Q72 K79 | L71-S75 WeakPolarHBondContact O-CB 3.17Å; L71-S75 PolarHBondContact O-N 3.45Å; L71-S75 VanDerWaalsContact O-N 3.08Å; L71-S75 PolarHBondContact O-OG 3.21Å; Q72-S75 WeakPolarHBondContact O-CB 3.33Å; Q72-S75 PolarHBondContact O-N 2.88Å; S75-K79 PolarHBondContact O-N 2.96Å |
| 76 | V | 98.2 | Very high | 98.1 | Very high | 45 Ų | 45 | 79.7 Ų | 79.7 | 27% | 0.273 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.5 | -44.5 | 176.2 | 178.1 | 0 | 0 | 0 | 0 | 111 | Q72 G73 A78 K79 E80 Y88 F92 | Q72-V76 WeakPolarHBondContact O-CG2 3.39Å; Q72-V76 PolarHBondContact O-N 3.45Å; Q72-V76 VanDerWaalsContact O-N 3.15Å; G73-V76 PolarHBondContact O-N 3.44Å; V76-A78 VanDerWaalsContact C-N 3.32Å; V76-A78 PolarHBondContact O-N 3.42Å; V76-K79 WeakPolarHBondContact O-CB 3.28Å; V76-K79 PolarHBondContact O-N 2.9Å; V76-K79 VanDerWaalsContact O-N 3.15Å; V76-E80 HydrophobicContact CG1-CG 4.12Å; V76-E80 WeakPolarHBondContact O-CG 3.46Å; V76-E80 PolarHBondContact O-N 2.91Å; V76-Y88 HydrophobicContact CG1-CE1 4.19Å; V76-Y88 WeakPolarHBondContact CG1-OH 3.38Å; V76-F92 HydrophobicContact CB-CE2 4.43Å; V76-F92 HydrophobicContact CG2-CE2 4.13Å |
| 77 | L | 98.4 | Very high | 98.1 | Very high | 27 Ų | 27 | 83.1 Ų | 83.1 | 14% | 0.141 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 178.3 | -179.3 | 72 | 0 | 0 | 0 | 111.9 | G73 L74 K79 E80 R81 P82 P85 Y88 L89 | G73-L77 VanDerWaalsContact O-CB 3.29Å; G73-L77 WeakPolarHBondContact O-CB 3.37Å; G73-L77 PolarHBondContact O-N 3.38Å; L74-L77 HydrophobicContact CD2-CD2 4.24Å; L74-L77 PolarHBondContact O-N 3.01Å; L77-K79 PolarHBondContact O-N 3.26Å; L77-E80 PolarHBondContact O-N 3.36Å; L77-R81 PolarHBondContact O-N 3.08Å; L77-P82 HydrophobicContact CD1-CG 3.64Å; L77-P85 HydrophobicContact CD1-CB 3.84Å; L77-P85 WeakPolarHBondContact CD1-O 3.47Å; L77-P85 HydrophobicContact CD2-CB 4.27Å; L77-P85 HydrophobicContact CG-CB 4.47Å; L77-Y88 HydrophobicContact CB-CD1 4.5Å; L77-Y88 HydrophobicContact CD1-CD1 3.59Å; L77-Y88 HydrophobicContact CD1-CE1 4.36Å; L77-Y88 HydrophobicContact CD1-CG 4.21Å; L77-L89 HydrophobicContact CD2-CB 4.44Å |
| 78 | A | 98.2 | Very high | 98.2 | Very high | 65 Ų | 65 | 84.9 Ų | 84.9 | 54% | 0.537 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.3 | -29.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L74 V76 R81 | L74-A78 VanDerWaalsContact O-CB 3.28Å; L74-A78 WeakPolarHBondContact O-CB 3.44Å; L74-A78 PolarHBondContact O-N 3.45Å; V76-A78 VanDerWaalsContact C-N 3.32Å; V76-A78 PolarHBondContact O-N 3.42Å; A78-R81 WeakPolarHBondContact O-CG 3.46Å; A78-R81 PolarHBondContact O-NE 2.78Å |
| 79 | K | 98.3 | Very high | 98.2 | Very high | 167 Ų | 167 | 83.6 Ų | 83.6 | 73% | 0.726 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -76.5 | -50.4 | 175.9 | -178.1 | -175.8 | 173.5 | -172.5 | 0 | 112 | S75 V76 L77 | S75-K79 PolarHBondContact O-N 2.96Å; V76-K79 WeakPolarHBondContact O-CB 3.28Å; V76-K79 PolarHBondContact O-N 2.9Å; V76-K79 VanDerWaalsContact O-N 3.15Å; L77-K79 PolarHBondContact O-N 3.26Å |
| 80 | E | 98.1 | Very high | 98.3 | Very high | 110 Ų | 110 | 85 Ų | 85 | 51% | 0.514 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -79.9 | -29.3 | -172.7 | -63.6 | -63.6 | 135 | 0 | 0 | 113 | V76 L77 | V76-E80 HydrophobicContact CG1-CG 4.12Å; V76-E80 WeakPolarHBondContact O-CG 3.46Å; V76-E80 PolarHBondContact O-N 2.91Å; L77-E80 PolarHBondContact O-N 3.36Å |
| 81 | R | 98.1 | Very high | 98.3 | Very high | 211 Ų | 211 | 85.1 Ų | 85.1 | 80% | 0.796 | 46% | 0.455 | S | S | * | . | trans | 43 | 55.8 | -177.7 | -59.5 | -170.2 | 175 | -162.5 | -1.8 | 113.8 | L77 A78 | L77-R81 PolarHBondContact O-N 3.08Å; A78-R81 WeakPolarHBondContact O-CG 3.46Å; A78-R81 PolarHBondContact O-NE 2.78Å | ||
| 82 | P | 98.1 | Very high | 98.3 | Very high | 28 Ų | 28 | 81.2 Ų | 81.2 | 18% | 0.182 | 43% | 0.434 | C | S | . | . | trans | -65.6 | 157.7 | -178.5 | 30.1 | -36.2 | 0 | 0 | 0 | 111.8 | L77 N84 Y88 | L77-P82 HydrophobicContact CD1-CG 3.64Å; P82-N84 VanDerWaalsContact C-N 3.28Å; P82-N84 PolarHBondContact O-N 3.17Å; P82-Y88 HydrophobicContact CB-CD2 4.11Å; P82-Y88 HydrophobicContact CB-CG 4.28Å; P82-Y88 HydrophobicContact CG-CD1 4.01Å; P82-Y88 HydrophobicContact CG-CD2 3.83Å; P82-Y88 HydrophobicContact CG-CG 3.54Å | ||
| 83 | P | 97.8 | Very high | 98.3 | Very high | 126 Ų | 126 | 78.8 Ų | 78.8 | 82% | 0.818 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -62.1 | -32.8 | -177.5 | 23.4 | -33.7 | 0 | 0 | 0 | 113.5 | P85 | P83-P85 VanDerWaalsContact O-CD 3.24Å; P83-P85 WeakPolarHBondContact O-CD 3.42Å |
| 84 | N | 98.2 | Very high | 98.3 | Very high | 88 Ų | 88 | 85.4 Ų | 85.4 | 47% | 0.471 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -113.6 | 80.9 | 176.8 | -62.7 | -20.9 | 0 | 0 | 0 | 110 | P82 I86 E87 Y88 | P82-N84 VanDerWaalsContact C-N 3.28Å; P82-N84 PolarHBondContact O-N 3.17Å; N84-I86 VanDerWaalsContact C-N 3.32Å; N84-I86 PolarHBondContact O-N 3.08Å; N84-E87 HydrophobicContact CB-CB 4.04Å; N84-E87 HydrophobicContact CB-CG 4.21Å; N84-E87 WeakPolarHBondContact CB-OE2 3.44Å; N84-E87 PolarHBondContact ND2-OE2 3.04Å; N84-E87 PolarHBondContact O-N 3.31Å; N84-Y88 WeakPolarHBondContact O-CB 3.43Å; N84-Y88 PolarHBondContact O-N 3.05Å |
| 85 | P | 98 | Very high | 98.2 | Very high | 62 Ų | 62 | 89.5 Ų | 89.5 | 40% | 0.403 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.1 | -33.2 | -170.5 | 24 | -34.5 | 0 | 0 | 0 | 113.8 | L77 P83 L89 | L77-P85 HydrophobicContact CD1-CB 3.84Å; L77-P85 WeakPolarHBondContact CD1-O 3.47Å; L77-P85 HydrophobicContact CD2-CB 4.27Å; L77-P85 HydrophobicContact CG-CB 4.47Å; P83-P85 VanDerWaalsContact O-CD 3.24Å; P83-P85 WeakPolarHBondContact O-CD 3.42Å; P85-L89 WeakPolarHBondContact O-CB 3.24Å; P85-L89 PolarHBondContact O-N 2.93Å |
| 86 | I | 98.6 | Very high | 98.1 | Very high | 142 Ų | 142 | 86.6 Ų | 86.6 | 73% | 0.728 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -70.6 | -48.6 | -179.9 | -60.6 | 174.8 | 0 | 0 | 0 | 110.6 | N84 Y88 L89 A90 | N84-I86 VanDerWaalsContact C-N 3.32Å; N84-I86 PolarHBondContact O-N 3.08Å; I86-Y88 VanDerWaalsContact C-N 3.3Å; I86-Y88 PolarHBondContact O-N 3.43Å; I86-L89 PolarHBondContact O-N 2.89Å; I86-A90 WeakPolarHBondContact O-CB 3.43Å; I86-A90 PolarHBondContact O-N 3.43Å |
| 87 | E | 98.6 | Very high | 97.9 | Very high | 128 Ų | 128 | 89.4 Ų | 89.4 | 60% | 0.598 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.3 | -42.9 | 177.5 | -67.8 | 178.5 | 175.4 | 0 | 0 | 111.1 | N84 A90 A91 | N84-E87 HydrophobicContact CB-CB 4.04Å; N84-E87 HydrophobicContact CB-CG 4.21Å; N84-E87 WeakPolarHBondContact CB-OE2 3.44Å; N84-E87 PolarHBondContact ND2-OE2 3.04Å; N84-E87 PolarHBondContact O-N 3.31Å; E87-A90 PolarHBondContact O-N 3.32Å; E87-A91 WeakPolarHBondContact O-CB 3.46Å; E87-A91 PolarHBondContact O-N 3.26Å |
| 88 | Y | 98.6 | Very high | 97.7 | Very high | 79 Ų | 79 | 92 Ų | 92 | 31% | 0.31 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60 | -47.6 | 176.5 | -176.6 | -88.7 | 0 | 0 | 0 | 112 | V76 L77 P82 N84 I86 A91 F92 | V76-Y88 HydrophobicContact CG1-CE1 4.19Å; V76-Y88 WeakPolarHBondContact CG1-OH 3.38Å; L77-Y88 HydrophobicContact CB-CD1 4.5Å; L77-Y88 HydrophobicContact CD1-CD1 3.59Å; L77-Y88 HydrophobicContact CD1-CE1 4.36Å; L77-Y88 HydrophobicContact CD1-CG 4.21Å; P82-Y88 HydrophobicContact CB-CD2 4.11Å; P82-Y88 HydrophobicContact CB-CG 4.28Å; P82-Y88 HydrophobicContact CG-CD1 4.01Å; P82-Y88 HydrophobicContact CG-CD2 3.83Å; P82-Y88 HydrophobicContact CG-CG 3.54Å; N84-Y88 WeakPolarHBondContact O-CB 3.43Å; N84-Y88 PolarHBondContact O-N 3.05Å; I86-Y88 VanDerWaalsContact C-N 3.3Å; I86-Y88 PolarHBondContact O-N 3.43Å; Y88-A91 PolarHBondContact O-N 2.81Å; Y88-F92 WeakPolarHBondContact O-CB 3.25Å; Y88-F92 PolarHBondContact O-N 3.08Å |
| 89 | L | 98.6 | Very high | 97.5 | Very high | 30 Ų | 30 | 94.4 Ų | 94.4 | 16% | 0.157 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 179.1 | -176 | 61.5 | 0 | 0 | 0 | 111.2 | L74 L77 P85 I86 A91 F92 L93 | L74-L89 HydrophobicContact CD2-CD2 3.97Å; L77-L89 HydrophobicContact CD2-CB 4.44Å; P85-L89 WeakPolarHBondContact O-CB 3.24Å; P85-L89 PolarHBondContact O-N 2.93Å; I86-L89 PolarHBondContact O-N 2.89Å; L89-A91 VanDerWaalsContact C-N 3.35Å; L89-A91 PolarHBondContact O-N 3.3Å; L89-F92 WeakPolarHBondContact O-CB 3.44Å; L89-F92 PolarHBondContact O-N 2.77Å; L89-L93 VanDerWaalsContact O-CG 3.32Å; L89-L93 WeakPolarHBondContact O-CG 3.34Å; L89-L93 PolarHBondContact O-N 3.36Å |
| 90 | A | 98.4 | Very high | 97.2 | Very high | 46 Ų | 46 | 88 Ų | 88 | 38% | 0.38 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I86 E87 F92 L93 L94 | I86-A90 WeakPolarHBondContact O-CB 3.43Å; I86-A90 PolarHBondContact O-N 3.43Å; E87-A90 PolarHBondContact O-N 3.32Å; A90-F92 VanDerWaalsContact C-N 3.32Å; A90-F92 PolarHBondContact O-N 2.9Å; A90-L93 PolarHBondContact O-N 3.48Å; A90-L94 WeakPolarHBondContact O-CG 3.29Å; A90-L94 PolarHBondContact O-N 3.49Å |
| 91 | A | 98.3 | Very high | 96.6 | Very high | 56 Ų | 56 | 88.4 Ų | 88.4 | 46% | 0.463 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E87 Y88 L89 L94 K95 | E87-A91 WeakPolarHBondContact O-CB 3.46Å; E87-A91 PolarHBondContact O-N 3.26Å; Y88-A91 PolarHBondContact O-N 2.81Å; L89-A91 VanDerWaalsContact C-N 3.35Å; L89-A91 PolarHBondContact O-N 3.3Å; A91-L94 PolarHBondContact O-N 3.4Å; A91-K95 VanDerWaalsContact O-CB 3.28Å; A91-K95 WeakPolarHBondContact O-CB 3.18Å; A91-K95 PolarHBondContact O-N 3.32Å |
| 92 | F | 98.4 | Very high | 95.5 | Very high | 26 Ų | 26 | 87 Ų | 87 | 11% | 0.114 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 174.6 | -177.7 | -83.3 | 0 | 0 | 0 | 111.3 | I69 Q72 G73 V76 Y88 L89 A90 K95 N96 | I69-F92 HydrophobicContact CG1-CE1 4.35Å; Q72-F92 HydrophobicContact CG-CZ 4.12Å; G73-F92 VanDerWaalsContact CA-CD1 3.46Å; V76-F92 HydrophobicContact CB-CE2 4.43Å; V76-F92 HydrophobicContact CG2-CE2 4.13Å; Y88-F92 WeakPolarHBondContact O-CB 3.25Å; Y88-F92 PolarHBondContact O-N 3.08Å; L89-F92 WeakPolarHBondContact O-CB 3.44Å; L89-F92 PolarHBondContact O-N 2.77Å; A90-F92 VanDerWaalsContact C-N 3.32Å; A90-F92 PolarHBondContact O-N 2.9Å; F92-K95 PolarHBondContact O-N 3.29Å; F92-N96 HydrophobicContact CE1-CB 4.44Å; F92-N96 WeakPolarHBondContact O-CB 3.28Å; F92-N96 PolarHBondContact O-N 2.9Å; F92-N96 VanDerWaalsContact O-N 3.08Å; F92-N96 PolarHBondContact O-ND2 2.73Å |
| 93 | L | 98.1 | Very high | 94.1 | Very high | 49 Ų | 49 | 96.4 Ų | 96.4 | 26% | 0.257 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -48 | 179 | -65.6 | 178.8 | 0 | 0 | 0 | 111.2 | I69 L70 L89 A90 K95 N96 K97 | I69-L93 HydrophobicContact CB-CD2 4.26Å; I69-L93 HydrophobicContact CD1-CD2 3.88Å; I69-L93 HydrophobicContact CG1-CD2 3.68Å; I69-L93 HydrophobicContact CG2-CD2 3.84Å; L70-L93 HydrophobicContact CD2-CD1 4.01Å; L70-L93 HydrophobicContact CD2-CD2 4.12Å; L89-L93 VanDerWaalsContact O-CG 3.32Å; L89-L93 WeakPolarHBondContact O-CG 3.34Å; L89-L93 PolarHBondContact O-N 3.36Å; A90-L93 PolarHBondContact O-N 3.48Å; L93-K95 PolarHBondContact O-N 3.01Å; L93-N96 PolarHBondContact O-N 3.45Å; L93-K97 WeakPolarHBondContact O-CA 3.23Å; L93-K97 WeakPolarHBondContact O-CB 3.5Å; L93-K97 PolarHBondContact O-N 3.28Å |
| 94 | L | 97.8 | Very high | 92.3 | Very high | 138 Ų | 138 | 95.8 Ų | 95.8 | 72% | 0.723 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64 | -39.8 | -179.6 | -68.9 | 173.3 | 0 | 0 | 0 | 112.7 | A90 A91 | A90-L94 WeakPolarHBondContact O-CG 3.29Å; A90-L94 PolarHBondContact O-N 3.49Å; A91-L94 PolarHBondContact O-N 3.4Å |
| 95 | K | 97.4 | Very high | 92 | Very high | 172 Ų | 172 | 96.2 Ų | 96.2 | 75% | 0.748 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.4 | -32.6 | 179.6 | -175.8 | 176.1 | 178.5 | -180 | 0 | 112.9 | A91 F92 L93 | A91-K95 VanDerWaalsContact O-CB 3.28Å; A91-K95 WeakPolarHBondContact O-CB 3.18Å; A91-K95 PolarHBondContact O-N 3.32Å; F92-K95 PolarHBondContact O-N 3.29Å; L93-K95 PolarHBondContact O-N 3.01Å |
| 96 | N | 96.5 | Very high | 91.7 | Very high | 24 Ų | 24 | 98 Ų | 98 | 13% | 0.128 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -103.2 | -5.5 | -174.4 | -63.2 | -80.2 | 0 | 0 | 0 | 113.4 | I69 F92 L93 S98 Q99 F100 | I69-N96 HydrophobicContact CD1-CB 4.14Å; F92-N96 HydrophobicContact CE1-CB 4.44Å; F92-N96 WeakPolarHBondContact O-CB 3.28Å; F92-N96 PolarHBondContact O-N 2.9Å; F92-N96 VanDerWaalsContact O-N 3.08Å; F92-N96 PolarHBondContact O-ND2 2.73Å; L93-N96 PolarHBondContact O-N 3.45Å; N96-S98 VanDerWaalsContact C-N 3.34Å; N96-S98 PolarHBondContact O-N 3.35Å; N96-S98 VanDerWaalsContact O-N 3.17Å; N96-Q99 WeakPolarHBondContact O-CB 3.49Å; N96-Q99 PolarHBondContact O-N 3.35Å; N96-Q99 VanDerWaalsContact O-N 3.08Å; N96-Q99 PolarHBondContact OD1-NE2 3.15Å; N96-F100 HydrophobicContact CB-CD2 4.49Å; N96-F100 HydrophobicContact CB-CE2 4.24Å; N96-F100 WeakPolarHBondContact O-CD2 3.49Å |
| 97 | K | 94.6 | Very high | 91.3 | Very high | 104 Ų | 104 | 95.6 Ų | 95.6 | 45% | 0.452 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -44.3 | -50.7 | -175 | 178 | 175.1 | 170.1 | 169.2 | 0 | 114.3 | L93 Q99 F100 E101 | L93-K97 WeakPolarHBondContact O-CA 3.23Å; L93-K97 WeakPolarHBondContact O-CB 3.5Å; L93-K97 PolarHBondContact O-N 3.28Å; K97-Q99 VanDerWaalsContact C-N 3.26Å; K97-Q99 PolarHBondContact O-N 2.89Å; K97-F100 PolarHBondContact O-N 3.39Å; K97-F100 VanDerWaalsContact O-N 3.08Å; K97-E101 WeakPolarHBondContact CE-OE1 3.35Å; K97-E101 WeakPolarHBondContact CE-OE2 3.45Å; K97-E101 HydrophobicContact CG-CG 4.24Å; K97-E101 IonicContact NZ-OE1 3.12Å; K97-E101 PolarHBondContact NZ-OE1 2.86Å; K97-E101 VanDerWaalsContact NZ-OE1 3.12Å; K97-E101 IonicContact NZ-OE2 3.8Å; K97-E101 PolarHBondContact O-N 3.4Å |
| 98 | S | 94.2 | Very high | 90.9 | Very high | 82 Ų | 82 | 93.6 Ų | 93.6 | 57% | 0.573 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.1 | -33.6 | -175.5 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | N96 F100 E102 | N96-S98 VanDerWaalsContact C-N 3.34Å; N96-S98 PolarHBondContact O-N 3.35Å; N96-S98 VanDerWaalsContact O-N 3.17Å; S98-F100 PolarHBondContact O-N 3.36Å; S98-E102 PolarHBondContact O-N 3.15Å |
| 99 | Q | 93.2 | Very high | 90.4 | Very high | 115 Ų | 115 | 94.6 Ų | 94.6 | 54% | 0.537 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.6 | -20.5 | -179.7 | -62.6 | 173.4 | 56 | 0 | 0 | 112.9 | N96 K97 | N96-Q99 WeakPolarHBondContact O-CB 3.49Å; N96-Q99 PolarHBondContact O-N 3.35Å; N96-Q99 VanDerWaalsContact O-N 3.08Å; N96-Q99 PolarHBondContact OD1-NE2 3.15Å; K97-Q99 VanDerWaalsContact C-N 3.26Å; K97-Q99 PolarHBondContact O-N 2.89Å |
| 100 | F | 91.8 | Very high | 89.9 | Confident | 33 Ų | 33 | 98.9 Ų | 98.9 | 15% | 0.145 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -103.1 | -32.4 | -178.6 | -70.2 | -94.1 | 0 | 0 | 0 | 112.1 | P68 I69 Q72 N96 K97 S98 R103 S104 | P68-F100 HydrophobicContact CB-CD1 3.93Å; P68-F100 HydrophobicContact CB-CE1 4.04Å; I69-F100 HydrophobicContact CB-CB 4.29Å; I69-F100 HydrophobicContact CB-CD1 3.81Å; I69-F100 HydrophobicContact CB-CD2 3.85Å; I69-F100 HydrophobicContact CB-CE1 4.03Å; I69-F100 HydrophobicContact CB-CE2 4.09Å; I69-F100 HydrophobicContact CB-CG 3.71Å; I69-F100 HydrophobicContact CB-CZ 4.16Å; I69-F100 HydrophobicContact CD1-CD2 3.69Å; I69-F100 HydrophobicContact CD1-CE2 4.16Å; I69-F100 HydrophobicContact CD1-CG 4.21Å; I69-F100 HydrophobicContact CG1-CD1 4.48Å; I69-F100 HydrophobicContact CG1-CD2 3.64Å; I69-F100 HydrophobicContact CG1-CE2 3.71Å; I69-F100 HydrophobicContact CG1-CG 4.05Å; I69-F100 HydrophobicContact CG1-CZ 4.16Å; Q72-F100 HydrophobicContact CB-CZ 4.45Å; N96-F100 HydrophobicContact CB-CD2 4.49Å; N96-F100 HydrophobicContact CB-CE2 4.24Å; N96-F100 WeakPolarHBondContact O-CD2 3.49Å; K97-F100 PolarHBondContact O-N 3.39Å; K97-F100 VanDerWaalsContact O-N 3.08Å; S98-F100 PolarHBondContact O-N 3.36Å; F100-R103 PolarHBondContact O-N 3.44Å; F100-S104 PolarHBondContact O-N 3.28Å; F100-S104 PolarHBondContact O-OG 3.48Å |
| 101 | E | 86.4 | Confident | 89.2 | Confident | 118 Ų | 118 | 102.6 Ų | 102.6 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.1 | -36.8 | 174.4 | -79.2 | -170.6 | 148.4 | 0 | 0 | 113.1 | K97 R103 S104 | K97-E101 WeakPolarHBondContact CE-OE1 3.35Å; K97-E101 WeakPolarHBondContact CE-OE2 3.45Å; K97-E101 HydrophobicContact CG-CG 4.24Å; K97-E101 IonicContact NZ-OE1 3.12Å; K97-E101 PolarHBondContact NZ-OE1 2.86Å; K97-E101 VanDerWaalsContact NZ-OE1 3.12Å; K97-E101 IonicContact NZ-OE2 3.8Å; K97-E101 PolarHBondContact O-N 3.4Å; E101-R103 PolarHBondContact O-N 3.02Å; E101-S104 PolarHBondContact O-N 2.96Å |
| 102 | E | 74.1 | Confident | 88.5 | Confident | 180 Ų | 180 | 106.2 Ų | 106.2 | 84% | 0.841 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.8 | 178.2 | -171.9 | 173.8 | -165.7 | 0 | 0 | 112.9 | S98 | S98-E102 PolarHBondContact O-N 3.15Š|
| 103 | R | 68 | Low | 87.7 | Confident | 226 Ų | 226 | 112.9 Ų | 112.9 | 85% | 0.853 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -3.9 | -175.8 | -139.6 | 176.7 | -169.6 | -133.5 | 1.9 | 113.6 | F100 E101 | F100-R103 PolarHBondContact O-N 3.44Å; E101-R103 PolarHBondContact O-N 3.02Å |
| 104 | S | 60.6 | Low | 86.8 | Confident | 114 Ų | 114 | 118.7 Ų | 118.7 | 80% | 0.797 | 58% | 0.577 | S | S | * | * | trans | -104.6 | 0 | -173.8 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | F100 E101 | F100-S104 PolarHBondContact O-N 3.28Å; F100-S104 PolarHBondContact O-OG 3.48Å; E101-S104 PolarHBondContact O-N 2.96Å |
Retrieved 104 of 104 residues in 107.1 ms
(Link to these results)