| 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 | 48.4 | Very low | 50.9 | Low | 244 Ų | 244 | 146.4 Ų | 146.4 | 100% | 1.202 | 84% | 0.843 | S | S | * | * | 0 | 110.4 | 0 | -79.5 | 163.7 | 154.3 | 0 | 0 | 107.7 | |||||
| 2 | L | 48.8 | Very low | 50.9 | Low | 168 Ų | 168 | 142.5 Ų | 142.5 | 88% | 0.88 | 83% | 0.831 | S | S | * | * | trans | -71.7 | 146.2 | 179.1 | -75.7 | 77.8 | 0 | 0 | 0 | 110.6 | ||||
| 3 | S | 49.7 | Very low | 51.3 | Low | 125 Ų | 125 | 144 Ų | 144 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | 138.1 | 122.7 | 143.4 | -67.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | G | 48.5 | Very low | 51.7 | Low | 65 Ų | 65 | 140.7 Ų | 140.7 | 67% | 0.67 | 83% | 0.827 | S | S | * | * | cis | 135.7 | 138.4 | 14.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 5 | R | 56.9 | Low | 51.3 | Low | 242 Ų | 242 | 135.7 Ų | 135.7 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | trans | 66 | 148.1 | 156.6 | -64.6 | 177.2 | 164.6 | -167.2 | -4.9 | 114.8 | ||||
| 6 | L | 56.2 | Low | 52 | Low | 147 Ų | 147 | 141.6 Ų | 141.6 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | cis | -159.5 | 141.2 | 10.7 | -153.3 | 73.3 | 0 | 0 | 0 | 106.5 | ||||
| 7 | V | 44.7 | Very low | 52.3 | Low | 125 Ų | 125 | 140.1 Ų | 140.1 | 76% | 0.758 | 81% | 0.813 | S | S | * | * | trans | -59.2 | -171.9 | 158.2 | -81.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 8 | P | 51.4 | Low | 52.6 | Low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | -128.3 | 172.4 | -59.9 | 36.1 | -20.3 | 0 | 0 | 0 | 110.8 | |||||
| 9 | G | 48.9 | Very low | 52.5 | Low | 69 Ų | 69 | 138.9 Ų | 138.9 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | 93.2 | 113.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 10 | L | 54.8 | Low | 52.9 | Low | 160 Ų | 160 | 137.1 Ų | 137.1 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | -149.1 | 95.9 | 124.7 | -135.8 | 104.9 | 0 | 0 | 0 | 108.6 | S12 | L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 3.25Å; L10-S12 VanDerWaalsContact O-N 3.07Å | |||
| 11 | V | 51.3 | Low | 52.9 | Low | 147 Ų | 147 | 142.4 Ų | 142.4 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -65 | 98.3 | 156 | 166 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 12 | S | 50.8 | Low | 52.8 | Low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -98.1 | 95.9 | 172.4 | -161.2 | 0 | 0 | 0 | 0 | 109.5 | L10 | L10-S12 VanDerWaalsContact C-N 3.31Å; L10-S12 PolarHBondContact O-N 3.25Å; L10-S12 VanDerWaalsContact O-N 3.07Å | ||
| 13 | M | 56.6 | Low | 52.4 | Low | 162 Ų | 162 | 132.7 Ų | 132.7 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | 10.3 | 115.7 | 155.4 | -65.1 | -118.7 | 86.2 | 0 | 0 | 117.3 | G15 | M13-G15 VanDerWaalsContact C-N 3.27Å; M13-G15 PolarHBondContact O-N 3.33Å | ||
| 14 | A | 57.4 | Low | 52.1 | Low | 98 Ų | 98 | 131.5 Ų | 131.5 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -52.7 | 92.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | R16 | A14-R16 VanDerWaalsContact C-N 3.27Å; A14-R16 PolarHBondContact O-N 3.05Å | ||
| 15 | G | 44.9 | Very low | 51.5 | Low | 65 Ų | 65 | 131.1 Ų | 131.1 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -71.8 | 85.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109 | M13 V17 | M13-G15 VanDerWaalsContact C-N 3.27Å; M13-G15 PolarHBondContact O-N 3.33Å; G15-V17 PolarHBondContact O-N 3.18Å | ||
| 16 | R | 62 | Low | 51.2 | Low | 231 Ų | 231 | 126 Ų | 126 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -61.1 | 89.4 | 159.6 | -89.4 | -178.8 | 158.5 | 175.6 | -5.2 | 107.9 | A14 C18 | A14-R16 VanDerWaalsContact C-N 3.27Å; A14-R16 PolarHBondContact O-N 3.05Å; R16-C18 PolarHBondContact O-N 3.49Å | ||
| 17 | V | 57.7 | Low | 50.8 | Low | 115 Ų | 115 | 122.9 Ų | 122.9 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | trans | -83.8 | 98.3 | 159.5 | -172.9 | 0 | 0 | 0 | 0 | 106.4 | G15 L19 | G15-V17 PolarHBondContact O-N 3.18Å; V17-L19 HydrophobicContact CB-CD1 4.19Å; V17-L19 HydrophobicContact CG1-CD1 3.48Å; V17-L19 VanDerWaalsContact CG1-CD1 3.48Å; V17-L19 HydrophobicContact CG1-CG 4.49Å; V17-L19 PolarHBondContact O-N 3.46Å; V17-L19 VanDerWaalsContact O-N 3.09Å | ||
| 18 | C | 57.1 | Low | 51.5 | Low | 99 Ų | 99 | 121 Ų | 121 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -67.8 | 96.4 | 164.1 | -56.4 | 0 | 0 | 0 | 0 | 107.8 | R16 S20 | R16-C18 PolarHBondContact O-N 3.49Å; C18-S20 PolarHBondContact O-N 3.23Å | ||
| 19 | L | 50.6 | Low | 52.5 | Low | 159 Ų | 159 | 119.4 Ų | 119.4 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -75.3 | 80.1 | 164.8 | -89 | 87.2 | 0 | 0 | 0 | 108.7 | V17 | V17-L19 HydrophobicContact CB-CD1 4.19Å; V17-L19 HydrophobicContact CG1-CD1 3.48Å; V17-L19 VanDerWaalsContact CG1-CD1 3.48Å; V17-L19 HydrophobicContact CG1-CG 4.49Å; V17-L19 PolarHBondContact O-N 3.46Å; V17-L19 VanDerWaalsContact O-N 3.09Å | ||
| 20 | S | 60.6 | Low | 54.1 | Low | 103 Ų | 103 | 116.9 Ų | 116.9 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | trans | -101.9 | 96.5 | 166 | -49 | 0 | 0 | 0 | 0 | 108.2 | C18 | C18-S20 PolarHBondContact O-N 3.23Š| ||
| 21 | R | 52.8 | Low | 55.6 | Low | 249 Ų | 249 | 114.1 Ų | 114.1 | 94% | 0.94 | 74% | 0.738 | S | S | * | * | trans | -165 | 85.5 | 153.6 | -112.2 | 165.9 | 166.9 | -164.5 | -5.9 | 109.8 | S23 | R21-S23 PolarHBondContact O-N 3.41Š| ||
| 22 | G | 47.9 | Very low | 57.3 | Low | 85 Ų | 85 | 108 Ų | 108 | 88% | 0.876 | 70% | 0.701 | S | S | * | * | trans | -65.8 | 122.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 23 | S | 39.9 | Very low | 59.2 | Low | 122 Ų | 122 | 104.8 Ų | 104.8 | 85% | 0.853 | 67% | 0.674 | S | S | * | * | trans | -118.6 | 81.8 | 149.9 | -168.1 | 0 | 0 | 0 | 0 | 105.5 | R21 G25 | R21-S23 PolarHBondContact O-N 3.41Å; S23-G25 VanDerWaalsContact C-N 3.27Å; S23-G25 PolarHBondContact O-N 3.39Å | ||
| 24 | A | 42.4 | Very low | 60.8 | Low | 100 Ų | 100 | 98.9 Ų | 98.9 | 83% | 0.826 | 65% | 0.651 | S | S | * | * | trans | -85.5 | 78.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 25 | G | 37.3 | Very low | 62.3 | Low | 57 Ų | 57 | 95.7 Ų | 95.7 | 59% | 0.588 | 63% | 0.625 | S | S | * | * | trans | -73.4 | 141.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S23 | S23-G25 VanDerWaalsContact C-N 3.27Å; S23-G25 PolarHBondContact O-N 3.39Å | ||
| 26 | S | 49.1 | Very low | 64.5 | Low | 135 Ų | 135 | 92.7 Ų | 92.7 | 94% | 0.944 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 5.2 | 111.4 | 162.4 | -72.8 | 0 | 0 | 0 | 0 | 117.7 | ||
| 27 | G | 49.4 | Very low | 65.9 | Low | 82 Ų | 82 | 87 Ų | 87 | 85% | 0.845 | 57% | 0.572 | S | S | * | * | trans | 116.9 | 1.7 | 159 | 0 | 0 | 0 | 0 | 0 | 116.5 | I29 | G27-I29 PolarHBondContact O-N 2.82Š| ||
| 28 | A | 57.9 | Low | 67.6 | Low | 84 Ų | 84 | 84.6 Ų | 84.6 | 69% | 0.694 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 116.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G30 | A28-G30 PolarHBondContact O-N 2.81Š|
| 29 | I | 73.2 | Confident | 69.2 | Low | 85 Ų | 85 | 82 Ų | 82 | 44% | 0.436 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -48.1 | 121.9 | 167.9 | -62.9 | 170.6 | 0 | 0 | 0 | 107.7 | G27 E33 A34 | G27-I29 PolarHBondContact O-N 2.82Å; I29-E33 HydrophobicContact CG2-CB 3.85Å; I29-E33 HydrophobicContact CG2-CG 3.85Å; I29-A34 HydrophobicContact CG2-CB 3.96Å |
| 30 | G | 83.1 | Confident | 71.2 | Confident | 16 Ų | 16 | 74.5 Ų | 74.5 | 17% | 0.165 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 163.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A28 V32 E33 A34 E65 | A28-G30 PolarHBondContact O-N 2.81Å; G30-V32 VanDerWaalsContact C-N 3.28Å; G30-V32 PolarHBondContact O-N 3.5Å; G30-E33 PolarHBondContact O-N 3.06Å; G30-A34 WeakPolarHBondContact O-CB 3.41Å; G30-A34 PolarHBondContact O-N 3.03Å; G30-E65 VanDerWaalsContact CA-OE1 3.28Å; G30-E65 WeakPolarHBondContact CA-OE1 3.1Å |
| 31 | P | 86.1 | Confident | 72.7 | Confident | 103 Ų | 103 | 73.2 Ų | 73.2 | 67% | 0.669 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.1 | -36.3 | -179.8 | 26.1 | -33.9 | 0 | 0 | 0 | 112.2 | A35 E65 | P31-A35 PolarHBondContact O-N 2.92Å; P31-A35 VanDerWaalsContact O-N 3.13Å; P31-E65 WeakPolarHBondContact CD-OE2 3.46Å |
| 32 | V | 87.4 | Confident | 74.5 | Confident | 18 Ų | 18 | 68.3 Ų | 68.3 | 11% | 0.109 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -71.4 | -43.2 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 110 | G30 A34 A35 I36 E65 F68 P100 V101 | G30-V32 VanDerWaalsContact C-N 3.28Å; G30-V32 PolarHBondContact O-N 3.5Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 3.26Å; V32-A35 PolarHBondContact O-N 3.42Å; V32-I36 HydrophobicContact CG1-CD1 3.95Å; V32-I36 HydrophobicContact CG1-CG1 4.48Å; V32-I36 WeakPolarHBondContact O-CG1 3.33Å; V32-I36 PolarHBondContact O-N 3.24Å; V32-E65 HydrophobicContact CB-CB 4.19Å; V32-E65 WeakPolarHBondContact CB-OE1 3.4Å; V32-E65 HydrophobicContact CG2-CB 4.22Å; V32-E65 WeakPolarHBondContact CG2-OE2 3.44Å; V32-E65 PolarHBondContact N-OE1 3.19Å; V32-F68 HydrophobicContact CB-CE2 4.42Å; V32-F68 HydrophobicContact CB-CZ 4.19Å; V32-F68 HydrophobicContact CG1-CE2 3.77Å; V32-F68 HydrophobicContact CG1-CZ 4Å; V32-P100 HydrophobicContact CG1-CG 3.95Å; V32-P100 HydrophobicContact CG2-CB 4.23Å; V32-P100 HydrophobicContact CG2-CG 3.77Å; V32-V101 HydrophobicContact CG1-CG2 3.71Å |
| 33 | E | 89.4 | Confident | 76.6 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 15% | 0.15 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -57.2 | -46.3 | 175.2 | -168.5 | -176.5 | 142.6 | 0 | 0 | 112.1 | I29 G30 A35 I36 R37 L51 E65 F68 | I29-E33 HydrophobicContact CG2-CB 3.85Å; I29-E33 HydrophobicContact CG2-CG 3.85Å; G30-E33 PolarHBondContact O-N 3.06Å; E33-A35 VanDerWaalsContact C-N 3.35Å; E33-A35 PolarHBondContact O-N 2.9Å; E33-I36 PolarHBondContact O-N 2.84Å; E33-R37 WeakPolarHBondContact O-CB 3.17Å; E33-R37 PolarHBondContact O-N 3.2Å; E33-L51 HydrophobicContact CB-CD2 4.3Å; E33-L51 HydrophobicContact CG-CD2 3.36Å; E33-L51 HydrophobicContact CG-CG 3.72Å; E33-L51 WeakPolarHBondContact O-CD2 3.28Å; E33-E65 PolarHBondContact N-OE1 3.27Å; E33-F68 HydrophobicContact CB-CE1 4.02Å; E33-F68 HydrophobicContact CG-CE1 4.32Å |
| 34 | A | 89.8 | Confident | 79 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 31% | 0.314 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I29 G30 V32 T38 | I29-A34 HydrophobicContact CG2-CB 3.96Å; G30-A34 WeakPolarHBondContact O-CB 3.41Å; G30-A34 PolarHBondContact O-N 3.03Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 3.26Å; A34-T38 WeakPolarHBondContact O-CB 3.38Å; A34-T38 PolarHBondContact O-N 2.86Å; A34-T38 PolarHBondContact O-OG1 3.43Å |
| 35 | A | 90.1 | Very high | 81.3 | Confident | 31 Ų | 31 | 60 Ų | 60 | 26% | 0.256 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P31 V32 E33 R37 T38 K39 | P31-A35 PolarHBondContact O-N 2.92Å; P31-A35 VanDerWaalsContact O-N 3.13Å; V32-A35 PolarHBondContact O-N 3.42Å; E33-A35 VanDerWaalsContact C-N 3.35Å; E33-A35 PolarHBondContact O-N 2.9Å; A35-R37 VanDerWaalsContact C-N 3.34Å; A35-R37 PolarHBondContact O-N 3.08Å; A35-T38 PolarHBondContact O-N 2.8Å; A35-K39 WeakPolarHBondContact O-CG 3.37Å; A35-K39 PolarHBondContact O-N 3.03Å |
| 36 | I | 91 | Very high | 83.9 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.5 | -49.5 | 176.5 | -68.7 | 165.8 | 0 | 0 | 0 | 110.2 | V32 E33 T38 K39 L40 L51 F68 L93 E96 V101 | V32-I36 HydrophobicContact CG1-CD1 3.95Å; V32-I36 HydrophobicContact CG1-CG1 4.48Å; V32-I36 WeakPolarHBondContact O-CG1 3.33Å; V32-I36 PolarHBondContact O-N 3.24Å; E33-I36 PolarHBondContact O-N 2.84Å; I36-T38 PolarHBondContact O-N 3.48Å; I36-K39 PolarHBondContact O-N 3.41Å; I36-L40 HydrophobicContact CG2-CD1 3.84Å; I36-L40 HydrophobicContact CG2-CG 4.43Å; I36-L40 WeakPolarHBondContact O-CG 3.19Å; I36-L40 PolarHBondContact O-N 3.26Å; I36-L51 HydrophobicContact CB-CD2 3.94Å; I36-L51 HydrophobicContact CG2-CD1 4.03Å; I36-L51 HydrophobicContact CG2-CD2 3.75Å; I36-F68 HydrophobicContact CD1-CD2 3.91Å; I36-F68 HydrophobicContact CD1-CE2 4.04Å; I36-F68 HydrophobicContact CD1-CG 4.17Å; I36-F68 HydrophobicContact CD1-CZ 4.42Å; I36-L93 HydrophobicContact CB-CD2 4.18Å; I36-L93 HydrophobicContact CG1-CD2 4.24Å; I36-L93 HydrophobicContact CG2-CD1 3.85Å; I36-L93 HydrophobicContact CG2-CD2 3.87Å; I36-E96 HydrophobicContact CG1-CB 4.34Å; I36-E96 HydrophobicContact CG1-CG 4.17Å; I36-V101 HydrophobicContact CD1-CG2 3.99Å |
| 37 | R | 91.9 | Very high | 86 | Confident | 111 Ų | 111 | 57.7 Ų | 57.7 | 42% | 0.419 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.7 | -51.8 | 179.9 | -175.5 | -177.4 | 179.1 | 157.4 | 3.8 | 111.3 | E33 A35 K39 L40 E41 L49 L51 | E33-R37 WeakPolarHBondContact O-CB 3.17Å; E33-R37 PolarHBondContact O-N 3.2Å; A35-R37 VanDerWaalsContact C-N 3.34Å; A35-R37 PolarHBondContact O-N 3.08Å; R37-K39 VanDerWaalsContact C-N 3.35Å; R37-K39 PolarHBondContact O-N 3.31Å; R37-L40 PolarHBondContact O-N 3.1Å; R37-E41 HydrophobicContact CG-CG 4.46Å; R37-E41 WeakPolarHBondContact CG-OE1 3.05Å; R37-E41 IonicContact CZ-OE1 3.7Å; R37-E41 IonicContact NE-OE1 3.56Å; R37-E41 PolarHBondContact NE-OE1 2.98Å; R37-E41 IonicContact NH2-OE1 3.64Å; R37-E41 WeakPolarHBondContact O-CB 3.28Å; R37-E41 WeakPolarHBondContact O-CG 3.26Å; R37-E41 PolarHBondContact O-N 2.82Å; R37-L49 HydrophobicContact CB-CD2 4.49Å; R37-L49 HydrophobicContact CG-CD2 3.67Å; R37-L51 HydrophobicContact CB-CD2 4.18Å |
| 38 | T | 92.5 | Very high | 87.9 | Confident | 65 Ų | 65 | 55.7 Ų | 55.7 | 40% | 0.399 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | -178.3 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | A34 A35 I36 L40 E41 Q42 | A34-T38 WeakPolarHBondContact O-CB 3.38Å; A34-T38 PolarHBondContact O-N 2.86Å; A34-T38 PolarHBondContact O-OG1 3.43Å; A35-T38 PolarHBondContact O-N 2.8Å; I36-T38 PolarHBondContact O-N 3.48Å; T38-L40 PolarHBondContact O-N 2.99Å; T38-E41 PolarHBondContact O-N 3.39Å; T38-Q42 WeakPolarHBondContact O-CB 3.2Å; T38-Q42 VanDerWaalsContact O-CG 3.26Å; T38-Q42 WeakPolarHBondContact O-CG 3.39Å; T38-Q42 PolarHBondContact O-N 3.35Å |
| 39 | K | 91.7 | Very high | 89.5 | Confident | 46 Ų | 46 | 53.2 Ų | 53.2 | 20% | 0.2 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 179.1 | -76.1 | 179.5 | 169.1 | 177.7 | 0 | 112.2 | A35 I36 R37 Q42 A43 L93 E95 E96 | A35-K39 WeakPolarHBondContact O-CG 3.37Å; A35-K39 PolarHBondContact O-N 3.03Å; I36-K39 PolarHBondContact O-N 3.41Å; R37-K39 VanDerWaalsContact C-N 3.35Å; R37-K39 PolarHBondContact O-N 3.31Å; K39-Q42 PolarHBondContact O-N 2.9Å; K39-A43 WeakPolarHBondContact O-CB 3.33Å; K39-A43 PolarHBondContact O-N 3.48Å; K39-L93 HydrophobicContact CB-CD2 4Å; K39-L93 HydrophobicContact CD-CD2 4.45Å; K39-E95 IonicContact NZ-OE2 2.7Å; K39-E95 PolarHBondContact NZ-OE2 3.29Å; K39-E96 HydrophobicContact CD-CG 4.16Å; K39-E96 IonicContact NZ-OE1 2.72Å; K39-E96 PolarHBondContact NZ-OE1 3.06Å |
| 40 | L | 91.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.5 | -40.2 | 177.8 | -67.2 | 174.4 | 0 | 0 | 0 | 112.3 | I36 R37 T38 Q42 A43 L44 L49 V70 V89 A92 L93 | I36-L40 HydrophobicContact CG2-CD1 3.84Å; I36-L40 HydrophobicContact CG2-CG 4.43Å; I36-L40 WeakPolarHBondContact O-CG 3.19Å; I36-L40 PolarHBondContact O-N 3.26Å; R37-L40 PolarHBondContact O-N 3.1Å; T38-L40 PolarHBondContact O-N 2.99Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; L40-Q42 PolarHBondContact O-N 3.48Å; L40-A43 PolarHBondContact O-N 3.09Å; L40-L44 HydrophobicContact CD2-CD1 3.76Å; L40-L44 WeakPolarHBondContact O-CB 3.46Å; L40-L44 PolarHBondContact O-N 2.92Å; L40-L49 HydrophobicContact CB-CD1 4.3Å; L40-L49 HydrophobicContact CB-CD2 4.37Å; L40-L49 HydrophobicContact CD1-CD1 3.98Å; L40-V70 HydrophobicContact CD1-CG2 3.59Å; L40-V89 HydrophobicContact CD2-CG1 3.99Å; L40-A92 HydrophobicContact CD2-CB 4.3Å; L40-L93 HydrophobicContact CD1-CD1 4.18Å; L40-L93 HydrophobicContact CD2-CD1 3.97Å; L40-L93 HydrophobicContact CD2-CD2 4.22Å; L40-L93 HydrophobicContact CD2-CG 3.96Å; L40-L93 HydrophobicContact CG-CD1 4.22Å; L40-L93 HydrophobicContact CG-CD2 4.09Å; L40-L93 HydrophobicContact CG-CG 4.31Å |
| 41 | E | 91.9 | Very high | 90.6 | Very high | 77 Ų | 77 | 52.8 Ų | 52.8 | 36% | 0.36 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 174.9 | -74.1 | 175.9 | -179 | 0 | 0 | 111.1 | R37 T38 S45 L49 | R37-E41 HydrophobicContact CG-CG 4.46Å; R37-E41 WeakPolarHBondContact CG-OE1 3.05Å; R37-E41 IonicContact CZ-OE1 3.7Å; R37-E41 IonicContact NE-OE1 3.56Å; R37-E41 PolarHBondContact NE-OE1 2.98Å; R37-E41 IonicContact NH2-OE1 3.64Å; R37-E41 WeakPolarHBondContact O-CB 3.28Å; R37-E41 WeakPolarHBondContact O-CG 3.26Å; R37-E41 PolarHBondContact O-N 2.82Å; T38-E41 PolarHBondContact O-N 3.39Å; E41-S45 VanDerWaalsContact O-CA 3.28Å; E41-S45 WeakPolarHBondContact O-CA 3.25Å; E41-S45 PolarHBondContact O-N 3.48Å; E41-S45 VanDerWaalsContact O-N 3.09Å; E41-L49 HydrophobicContact CG-CD2 3.64Å |
| 42 | Q | 91.4 | Very high | 90.6 | Very high | 146 Ų | 146 | 55.6 Ų | 55.6 | 68% | 0.682 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -69.6 | -43 | 178.5 | -71.3 | 173.9 | -4.7 | 0 | 0 | 113.1 | T38 K39 L40 | T38-Q42 WeakPolarHBondContact O-CB 3.2Å; T38-Q42 VanDerWaalsContact O-CG 3.26Å; T38-Q42 WeakPolarHBondContact O-CG 3.39Å; T38-Q42 PolarHBondContact O-N 3.35Å; K39-Q42 PolarHBondContact O-N 2.9Å; L40-Q42 VanDerWaalsContact C-N 3.32Å; L40-Q42 PolarHBondContact O-N 3.48Å |
| 43 | A | 91.2 | Very high | 90.5 | Very high | 46 Ų | 46 | 57.4 Ų | 57.4 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -79.1 | -37.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K39 L40 A92 | K39-A43 WeakPolarHBondContact O-CB 3.33Å; K39-A43 PolarHBondContact O-N 3.48Å; L40-A43 PolarHBondContact O-N 3.09Å; A43-A92 HydrophobicContact CB-CB 3.78Å |
| 44 | L | 89.8 | Confident | 90 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -117 | -13.6 | -167 | -60.5 | 168 | 0 | 0 | 0 | 113.7 | L40 V72 S74 F77 V89 | L40-L44 HydrophobicContact CD2-CD1 3.76Å; L40-L44 WeakPolarHBondContact O-CB 3.46Å; L40-L44 PolarHBondContact O-N 2.92Å; L44-V72 HydrophobicContact CD1-CG2 4.24Å; L44-S74 PolarHBondContact O-OG 2.94Å; L44-F77 HydrophobicContact CD1-CZ 4.01Å; L44-F77 HydrophobicContact CD2-CE1 4.17Å; L44-F77 HydrophobicContact CD2-CZ 4.33Å; L44-V89 HydrophobicContact CD1-CG2 3.95Å |
| 45 | S | 90.6 | Very high | 89.1 | Confident | 78 Ų | 78 | 57.7 Ų | 57.7 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | trans | 40.1 | 58.7 | -176.4 | -53.6 | 0 | 0 | 0 | 0 | 112.6 | E41 | E41-S45 VanDerWaalsContact O-CA 3.28Å; E41-S45 WeakPolarHBondContact O-CA 3.25Å; E41-S45 PolarHBondContact O-N 3.48Å; E41-S45 VanDerWaalsContact O-N 3.09Å | ||
| 46 | P | 92.9 | Very high | 87.7 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | trans | -70.7 | 148.6 | -174.7 | 31.6 | -34.5 | 0 | 0 | 0 | 112.2 | L49 V72 V73 | P46-L49 HydrophobicContact CG-CB 3.96Å; P46-L49 HydrophobicContact CG-CD1 4.44Å; P46-L49 HydrophobicContact CG-CD2 4.42Å; P46-V72 HydrophobicContact CB-CG2 3.61Å; P46-V72 HydrophobicContact CG-CG2 4.09Å; P46-V73 CarbonylContact C-O 3.59Å; P46-V73 WeakPolarHBondContact CA-O 3.5Å; P46-V73 WeakPolarHBondContact CB-O 3.26Å | ||
| 47 | E | 91.9 | Very high | 86.1 | Confident | 117 Ų | 117 | 62.4 Ų | 62.4 | 55% | 0.547 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -74.1 | -35.5 | 170.2 | -70.1 | 179.5 | -140 | 0 | 0 | 111.1 | V73 P111 R115 | E47-V73 PolarHBondContact N-O 3.01Å; E47-P111 WeakPolarHBondContact OE1-CB 3.44Å; E47-P111 WeakPolarHBondContact OE1-CG 3.36Å; E47-R115 IonicContact OE2-NH2 3.59Å |
| 48 | V | 90.4 | Very high | 84.4 | Confident | 41 Ų | 41 | 61.9 Ų | 61.9 | 25% | 0.248 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 128.5 | 176.8 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | E50 V73 W114 | V48-E50 HydrophobicContact CG1-CG 4.45Å; V48-V73 HydrophobicContact CB-CB 3.86Å; V48-V73 HydrophobicContact CB-CG2 3.84Å; V48-V73 HydrophobicContact CG2-CB 4.38Å; V48-V73 HydrophobicContact CG2-CG2 4.49Å; V48-V73 PolarHBondContact N-O 3.44Å; V48-V73 PolarHBondContact O-N 2.8Å; V48-W114 HydrophobicContact CG1-CZ2 4.1Å |
| 49 | L | 91.4 | Very high | 82.6 | Confident | 32 Ų | 32 | 64.5 Ų | 64.5 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 112.4 | 175.8 | -177.5 | 66.8 | 0 | 0 | 0 | 109 | R37 L40 E41 P46 V70 A71 V72 | R37-L49 HydrophobicContact CB-CD2 4.49Å; R37-L49 HydrophobicContact CG-CD2 3.67Å; L40-L49 HydrophobicContact CB-CD1 4.3Å; L40-L49 HydrophobicContact CB-CD2 4.37Å; L40-L49 HydrophobicContact CD1-CD1 3.98Å; E41-L49 HydrophobicContact CG-CD2 3.64Å; P46-L49 HydrophobicContact CG-CB 3.96Å; P46-L49 HydrophobicContact CG-CD1 4.44Å; P46-L49 HydrophobicContact CG-CD2 4.42Å; L49-V70 HydrophobicContact CD1-CG2 3.81Å; L49-A71 WeakPolarHBondContact CA-O 3.5Å; L49-V72 HydrophobicContact CD1-CB 4.15Å; L49-V72 HydrophobicContact CD1-CG2 4.2Å |
| 50 | E | 89.8 | Confident | 81.1 | Confident | 69 Ų | 69 | 64.6 Ų | 64.6 | 32% | 0.322 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.7 | 170.7 | -64.8 | -163.3 | -161.5 | 0 | 0 | 109.4 | V48 V70 A71 L120 | V48-E50 HydrophobicContact CG1-CG 4.45Å; E50-V70 CarbonylContact O-C 3.42Å; E50-V70 WeakPolarHBondContact O-CA 3.45Å; E50-A71 HydrophobicContact CB-CB 4.29Å; E50-A71 PolarHBondContact N-O 3.47Å; E50-A71 PolarHBondContact O-N 3.19Å; E50-L120 HydrophobicContact CB-CD1 4.1Å; E50-L120 VanDerWaalsContact CD-CD1 3.49Å; E50-L120 HydrophobicContact CG-CD1 4.25Å; E50-L120 WeakPolarHBondContact OE2-CD1 3.41Å |
| 51 | L | 88.9 | Confident | 79.7 | Confident | 22 Ų | 22 | 69 Ų | 69 | 12% | 0.115 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.8 | 176.8 | -177.3 | 62.4 | 0 | 0 | 0 | 107.8 | E33 I36 R37 F68 R69 V70 | E33-L51 HydrophobicContact CB-CD2 4.3Å; E33-L51 HydrophobicContact CG-CD2 3.36Å; E33-L51 HydrophobicContact CG-CG 3.72Å; E33-L51 WeakPolarHBondContact O-CD2 3.28Å; I36-L51 HydrophobicContact CB-CD2 3.94Å; I36-L51 HydrophobicContact CG2-CD1 4.03Å; I36-L51 HydrophobicContact CG2-CD2 3.75Å; R37-L51 HydrophobicContact CB-CD2 4.18Å; L51-F68 HydrophobicContact CD1-CB 4.38Å; L51-F68 HydrophobicContact CD1-CD1 4.37Å; L51-R69 WeakPolarHBondContact CA-O 3.46Å; L51-V70 HydrophobicContact CD1-CB 3.82Å; L51-V70 HydrophobicContact CD1-CG2 4.09Å |
| 52 | R | 86.3 | Confident | 78.2 | Confident | 163 Ų | 163 | 71.9 Ų | 71.9 | 62% | 0.615 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 135.2 | 178.6 | -67.1 | -170.7 | -178.8 | -155.7 | 1.1 | 110.4 | R69 | R52-R69 PolarHBondContact N-O 3.13Å; R52-R69 PolarHBondContact O-N 3.21Å |
| 53 | N | 85 | Confident | 77 | Confident | 56 Ų | 56 | 68.2 Ų | 68.2 | 30% | 0.299 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 119.2 | 170 | -172.3 | -12.6 | 0 | 0 | 0 | 109.9 | S55 S64 H67 F68 | N53-S55 WeakPolarHBondContact OD1-CB 3.41Å; N53-S55 PolarHBondContact OD1-N 2.88Å; N53-S55 PolarHBondContact OD1-OG 2.99Å; N53-S64 PolarHBondContact ND2-O 2.8Å; N53-H67 PolarHBondContact OD1-O 2.83Å; N53-F68 HydrophobicContact CB-CD1 4.06Å; N53-F68 HydrophobicContact CB-CE1 3.8Å |
| 54 | E | 78.9 | Confident | 76 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 31% | 0.313 | 42% | 0.424 | S | S | . | . | trans | -109.3 | 14.7 | 179 | -67.8 | -168.3 | 141.2 | 0 | 0 | 112.6 | G56 G57 H67 R69 | E54-G56 PolarHBondContact O-N 3.01Å; E54-G56 VanDerWaalsContact O-N 3.13Å; E54-G57 PolarHBondContact O-N 3.34Å; E54-H67 PolarHBondContact N-O 2.78Å; E54-R69 VanDerWaalsContact CD-CZ 3.43Å; E54-R69 HydrophobicContact CG-CB 4.34Å; E54-R69 IonicContact OE1-CZ 3.89Å; E54-R69 IonicContact OE1-NE 2.7Å; E54-R69 IonicContact OE1-NH1 2.95Å; E54-R69 PolarHBondContact OE1-NH1 3.13Å; E54-R69 IonicContact OE1-NH2 2.95Å; E54-R69 PolarHBondContact OE1-NH2 3.45Å; E54-R69 IonicContact OE2-CZ 3.08Å; E54-R69 IonicContact OE2-NE 3.77Å; E54-R69 IonicContact OE2-NH1 2.65Å; E54-R69 IonicContact OE2-NH2 3.17Å; E54-R69 PolarHBondContact OE2-NH2 3.23Å | ||
| 55 | S | 70.9 | Confident | 75.4 | Confident | 9 Ų | 9 | 68.5 Ų | 68.5 | 6% | 0.063 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -56.4 | -30.4 | 179.6 | 67 | 0 | 0 | 0 | 0 | 113.8 | N53 G57 H58 V60 S64 H67 | N53-S55 WeakPolarHBondContact OD1-CB 3.41Å; N53-S55 PolarHBondContact OD1-N 2.88Å; N53-S55 PolarHBondContact OD1-OG 2.99Å; S55-G57 PolarHBondContact O-N 3.26Å; S55-H58 PolarHBondContact O-N 2.84Å; S55-V60 WeakPolarHBondContact O-CG2 3.45Å; S55-S64 WeakPolarHBondContact CB-O 3.35Å; S55-S64 PolarHBondContact OG-O 3.44Å; S55-H67 PolarHBondContact N-O 2.87Å |
| 56 | G | 60.8 | Low | 74.9 | Confident | 75 Ų | 75 | 66 Ų | 66 | 77% | 0.773 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -63.8 | -9.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E54 H58 | E54-G56 PolarHBondContact O-N 3.01Å; E54-G56 VanDerWaalsContact O-N 3.13Å; G56-H58 VanDerWaalsContact C-N 3.29Å |
| 57 | G | 57.6 | Low | 74.5 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 58% | 0.577 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -79.4 | -5.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E54 S55 | E54-G57 PolarHBondContact O-N 3.34Å; S55-G57 PolarHBondContact O-N 3.26Å |
| 58 | H | 57.2 | Low | 74.3 | Confident | 101 Ų | 101 | 61.9 Ų | 61.9 | 47% | 0.468 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -122.1 | 163.2 | -177.6 | -64.7 | -61.3 | 0 | 0 | 0 | 111.9 | S55 G56 V60 H67 | S55-H58 PolarHBondContact O-N 2.84Å; G56-H58 VanDerWaalsContact C-N 3.29Å; H58-V60 HydrophobicContact CB-CG1 4.24Å; H58-V60 HydrophobicContact CB-CG2 4.38Å; H58-V60 PolarHBondContact O-N 3.29Å; H58-H67 AromaticContact CD2-CD2 3.98Å; H58-H67 AromaticContact CD2-CE1 3.96Å; H58-H67 AromaticContact CD2-NE2 3.91Å |
| 59 | A | 54 | Low | 74.1 | Confident | 119 Ų | 119 | 61.1 Ų | 61.1 | 98% | 0.983 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -70.7 | 53.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 60 | V | 60.2 | Low | 74.1 | Confident | 48 Ų | 48 | 59.6 Ų | 59.6 | 29% | 0.291 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -108.7 | 150.2 | 175.9 | -64.1 | 0 | 0 | 0 | 0 | 108.9 | S55 H58 | S55-V60 WeakPolarHBondContact O-CG2 3.45Å; H58-V60 HydrophobicContact CB-CG1 4.24Å; H58-V60 HydrophobicContact CB-CG2 4.38Å; H58-V60 PolarHBondContact O-N 3.29Å |
| 61 | P | 63.3 | Low | 74.2 | Confident | 93 Ų | 93 | 56.5 Ų | 56.5 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | trans | -54.1 | 144.2 | 177.3 | -26.2 | 34.1 | 0 | 0 | 0 | 112.1 | G63 S64 | P61-G63 PolarHBondContact O-N 3.07Å; P61-S64 WeakPolarHBondContact CD-OG 3.47Å; P61-S64 WeakPolarHBondContact O-CB 3.28Å; P61-S64 PolarHBondContact O-N 3.45Å; P61-S64 PolarHBondContact O-OG 3.26Å | ||
| 62 | P | 60.3 | Low | 74.4 | Confident | 137 Ų | 137 | 55.5 Ų | 55.5 | 89% | 0.89 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 131 | 174.9 | 24.4 | -33 | 0 | 0 | 0 | 109.9 | ||
| 63 | G | 64.6 | Low | 74.8 | Confident | 69 Ų | 69 | 47.8 Ų | 47.8 | 71% | 0.711 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | 8.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | P61 | P61-G63 PolarHBondContact O-N 3.07Š|
| 64 | S | 70.6 | Confident | 75.2 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 16% | 0.161 | 31% | 0.313 | C | S | . | . | trans | -64 | 138.4 | 171.2 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | N53 S55 P61 | N53-S64 PolarHBondContact ND2-O 2.8Å; S55-S64 WeakPolarHBondContact CB-O 3.35Å; S55-S64 PolarHBondContact OG-O 3.44Å; P61-S64 WeakPolarHBondContact CD-OG 3.47Å; P61-S64 WeakPolarHBondContact O-CB 3.28Å; P61-S64 PolarHBondContact O-N 3.45Å; P61-S64 PolarHBondContact O-OG 3.26Å | ||
| 65 | E | 78.3 | Confident | 75.9 | Confident | 38 Ų | 38 | 45 Ų | 45 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | trans | -112.3 | 49.7 | 178.3 | -74.6 | -174.1 | 106.8 | 0 | 0 | 109.7 | G30 P31 V32 E33 F68 | G30-E65 VanDerWaalsContact CA-OE1 3.28Å; G30-E65 WeakPolarHBondContact CA-OE1 3.1Å; P31-E65 WeakPolarHBondContact CD-OE2 3.46Å; V32-E65 HydrophobicContact CB-CB 4.19Å; V32-E65 WeakPolarHBondContact CB-OE1 3.4Å; V32-E65 HydrophobicContact CG2-CB 4.22Å; V32-E65 WeakPolarHBondContact CG2-OE2 3.44Å; V32-E65 PolarHBondContact N-OE1 3.19Å; E33-E65 PolarHBondContact N-OE1 3.27Å; E65-F68 HydrophobicContact CB-CE2 3.9Å; E65-F68 HydrophobicContact CB-CZ 3.61Å; E65-F68 HydrophobicContact CG-CZ 3.91Å; E65-F68 WeakPolarHBondContact O-CE2 3.38Å | ||
| 66 | T | 78.5 | Confident | 76.9 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 15% | 0.153 | 34% | 0.343 | C | S | . | . | trans | -100.3 | -30.5 | -172.8 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | H102 A103 | T66-H102 PolarHBondContact O-N 3.08Å; T66-A103 PolarHBondContact O-N 3.07Å; T66-A103 VanDerWaalsContact O-N 3.07Å | ||
| 67 | H | 84.9 | Confident | 78.4 | Confident | 54 Ų | 54 | 48 Ų | 48 | 25% | 0.25 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 119.1 | -178.6 | -66.9 | 71.4 | 0 | 0 | 0 | 109.8 | N53 E54 S55 H58 A103 | N53-H67 PolarHBondContact OD1-O 2.83Å; E54-H67 PolarHBondContact N-O 2.78Å; S55-H67 PolarHBondContact N-O 2.87Å; H58-H67 AromaticContact CD2-CD2 3.98Å; H58-H67 AromaticContact CD2-CE1 3.96Å; H58-H67 AromaticContact CD2-NE2 3.91Å; H67-A103 WeakPolarHBondContact CA-O 3.43Å |
| 68 | F | 87.6 | Confident | 80 | Confident | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.013 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 147.3 | 178.3 | -72.2 | -78.5 | 0 | 0 | 0 | 110.7 | V32 E33 I36 L51 N53 E65 V101 A103 L104 A105 | V32-F68 HydrophobicContact CB-CE2 4.42Å; V32-F68 HydrophobicContact CB-CZ 4.19Å; V32-F68 HydrophobicContact CG1-CE2 3.77Å; V32-F68 HydrophobicContact CG1-CZ 4Å; E33-F68 HydrophobicContact CB-CE1 4.02Å; E33-F68 HydrophobicContact CG-CE1 4.32Å; I36-F68 HydrophobicContact CD1-CD2 3.91Å; I36-F68 HydrophobicContact CD1-CE2 4.04Å; I36-F68 HydrophobicContact CD1-CG 4.17Å; I36-F68 HydrophobicContact CD1-CZ 4.42Å; L51-F68 HydrophobicContact CD1-CB 4.38Å; L51-F68 HydrophobicContact CD1-CD1 4.37Å; N53-F68 HydrophobicContact CB-CD1 4.06Å; N53-F68 HydrophobicContact CB-CE1 3.8Å; E65-F68 HydrophobicContact CB-CE2 3.9Å; E65-F68 HydrophobicContact CB-CZ 3.61Å; E65-F68 HydrophobicContact CG-CZ 3.91Å; E65-F68 WeakPolarHBondContact O-CE2 3.38Å; F68-V101 HydrophobicContact CD2-CG1 3.98Å; F68-V101 HydrophobicContact CD2-CG2 3.96Å; F68-V101 HydrophobicContact CE2-CG2 3.93Å; F68-A103 PolarHBondContact N-O 2.92Å; F68-L104 HydrophobicContact CB-CD1 3.55Å; F68-L104 CarbonylContact O-C 3.54Å; F68-L104 VanDerWaalsContact O-CA 3.32Å; F68-L104 WeakPolarHBondContact O-CA 3.18Å; F68-A105 PolarHBondContact O-N 3.09Å |
| 69 | R | 87.9 | Confident | 81.7 | Confident | 25 Ų | 25 | 50.2 Ų | 50.2 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.6 | 162.7 | 178 | 173.7 | -66.6 | 138 | 17.7 | 109 | L51 R52 E54 A105 S123 | L51-R69 WeakPolarHBondContact CA-O 3.46Å; R52-R69 PolarHBondContact N-O 3.13Å; R52-R69 PolarHBondContact O-N 3.21Å; E54-R69 VanDerWaalsContact CD-CZ 3.43Å; E54-R69 HydrophobicContact CG-CB 4.34Å; E54-R69 IonicContact OE1-CZ 3.89Å; E54-R69 IonicContact OE1-NE 2.7Å; E54-R69 IonicContact OE1-NH1 2.95Å; E54-R69 PolarHBondContact OE1-NH1 3.13Å; E54-R69 IonicContact OE1-NH2 2.95Å; E54-R69 PolarHBondContact OE1-NH2 3.45Å; E54-R69 IonicContact OE2-CZ 3.08Å; E54-R69 IonicContact OE2-NE 3.77Å; E54-R69 IonicContact OE2-NH1 2.65Å; E54-R69 IonicContact OE2-NH2 3.17Å; E54-R69 PolarHBondContact OE2-NH2 3.23Å; R69-A105 CarbonylContact C-O 3.59Å; R69-A105 WeakPolarHBondContact CA-O 3.46Å; R69-A105 HydrophobicContact CB-CB 4.17Å; R69-A105 HydrophobicContact CG-CB 4.15Å; R69-S123 VanDerWaalsContact NH1-N 3.1Å; R69-S123 PolarHBondContact NH2-OG 3.02Å |
| 70 | V | 90.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.4 | 173.4 | 68.1 | 0 | 0 | 0 | 0 | 110.7 | L40 L49 E50 L51 L104 A105 I106 Q107 | L40-V70 HydrophobicContact CD1-CG2 3.59Å; L49-V70 HydrophobicContact CD1-CG2 3.81Å; E50-V70 CarbonylContact O-C 3.42Å; E50-V70 WeakPolarHBondContact O-CA 3.45Å; L51-V70 HydrophobicContact CD1-CB 3.82Å; L51-V70 HydrophobicContact CD1-CG2 4.09Å; V70-L104 HydrophobicContact CB-CD1 4.2Å; V70-L104 HydrophobicContact CG1-CD1 3.8Å; V70-L104 HydrophobicContact CG1-CD2 4.04Å; V70-L104 HydrophobicContact CG1-CG 4Å; V70-A105 PolarHBondContact N-O 3.33Å; V70-I106 HydrophobicContact CG1-CB 4.39Å; V70-I106 HydrophobicContact CG1-CG1 3.95Å; V70-I106 HydrophobicContact CG1-CG2 4.45Å; V70-I106 CarbonylContact O-C 3.39Å; V70-I106 WeakPolarHBondContact O-CA 3.19Å; V70-Q107 PolarHBondContact O-N 3.37Å |
| 71 | A | 91.8 | Very high | 85.1 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.033 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.4 | 167 | 0 | 0 | 0 | 0 | 0 | 109.2 | L49 E50 Q107 L120 | L49-A71 WeakPolarHBondContact CA-O 3.5Å; E50-A71 HydrophobicContact CB-CB 4.29Å; E50-A71 PolarHBondContact N-O 3.47Å; E50-A71 PolarHBondContact O-N 3.19Å; A71-Q107 CarbonylContact C-O 3.59Å; A71-Q107 WeakPolarHBondContact CA-O 3.45Å; A71-Q107 HydrophobicContact CB-CB 4.04Å; A71-L120 HydrophobicContact CB-CD1 3.85Å; A71-L120 HydrophobicContact CB-CD2 3.25Å; A71-L120 HydrophobicContact CB-CG 4.21Å |
| 72 | V | 93.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 124.5 | -174.4 | 59.8 | 0 | 0 | 0 | 0 | 109.2 | L44 P46 L49 F77 V89 Q107 A108 R109 | L44-V72 HydrophobicContact CD1-CG2 4.24Å; P46-V72 HydrophobicContact CB-CG2 3.61Å; P46-V72 HydrophobicContact CG-CG2 4.09Å; L49-V72 HydrophobicContact CD1-CB 4.15Å; L49-V72 HydrophobicContact CD1-CG2 4.2Å; V72-F77 HydrophobicContact CB-CE2 4.32Å; V72-F77 HydrophobicContact CG1-CE2 3.69Å; V72-F77 HydrophobicContact CG1-CZ 3.7Å; V72-F77 HydrophobicContact CG2-CE2 3.98Å; V72-F77 HydrophobicContact CG2-CZ 4.17Å; V72-V89 HydrophobicContact CG1-CG2 4.07Å; V72-Q107 PolarHBondContact N-O 3.45Å; V72-A108 HydrophobicContact CG1-CB 4.06Å; V72-A108 WeakPolarHBondContact O-CA 3.34Å; V72-R109 PolarHBondContact O-N 3.32Å |
| 73 | V | 93.9 | Very high | 87.8 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 112.3 | 177.8 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | P46 E47 V48 R109 P111 W114 | P46-V73 CarbonylContact C-O 3.59Å; P46-V73 WeakPolarHBondContact CA-O 3.5Å; P46-V73 WeakPolarHBondContact CB-O 3.26Å; E47-V73 PolarHBondContact N-O 3.01Å; V48-V73 HydrophobicContact CB-CB 3.86Å; V48-V73 HydrophobicContact CB-CG2 3.84Å; V48-V73 HydrophobicContact CG2-CB 4.38Å; V48-V73 HydrophobicContact CG2-CG2 4.49Å; V48-V73 PolarHBondContact N-O 3.44Å; V48-V73 PolarHBondContact O-N 2.8Å; V73-R109 VanDerWaalsContact CA-O 3.28Å; V73-R109 WeakPolarHBondContact CA-O 3.21Å; V73-R109 HydrophobicContact CG2-CB 4.46Å; V73-P111 HydrophobicContact CG1-CB 4.31Å; V73-P111 HydrophobicContact CG1-CG 4.19Å; V73-W114 HydrophobicContact CG1-CB 3.69Å; V73-W114 HydrophobicContact CG1-CG 4.12Å; V73-W114 HydrophobicContact CG2-CB 3.99Å; V73-W114 HydrophobicContact CG2-CD2 3.65Å; V73-W114 HydrophobicContact CG2-CE3 3.69Å; V73-W114 HydrophobicContact CG2-CG 3.8Å; V73-W114 HydrophobicContact CG2-CZ3 4.38Å |
| 74 | S | 94.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | trans | -146.7 | 143.4 | -179.5 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | L44 R76 F77 R109 | L44-S74 PolarHBondContact O-OG 2.94Å; S74-R76 PolarHBondContact O-N 2.92Å; S74-R76 WeakPolarHBondContact OG-CB 3.2Å; S74-R76 WeakPolarHBondContact OG-CG 3.49Å; S74-R76 PolarHBondContact OG-N 3.2Å; S74-F77 WeakPolarHBondContact O-CD2 3.28Å; S74-F77 PolarHBondContact O-N 3.29Å; S74-R109 PolarHBondContact N-O 3.38Å | ||
| 75 | S | 93.1 | Very high | 90.3 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 43% | 0.434 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -63.9 | -19.1 | 172.1 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | F77 E78 | S75-F77 PolarHBondContact O-N 3.42Å; S75-E78 WeakPolarHBondContact O-CB 3.33Å; S75-E78 WeakPolarHBondContact O-CG 3.34Å; S75-E78 PolarHBondContact O-N 2.96Å |
| 76 | R | 91.1 | Very high | 90.9 | Very high | 149 Ų | 149 | 48.5 Ų | 48.5 | 56% | 0.562 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -59.8 | -17.8 | 173.3 | -65.3 | -67.3 | 179.2 | 89.7 | 1.1 | 113.7 | S74 L80 | S74-R76 PolarHBondContact O-N 2.92Å; S74-R76 WeakPolarHBondContact OG-CB 3.2Å; S74-R76 WeakPolarHBondContact OG-CG 3.49Å; S74-R76 PolarHBondContact OG-N 3.2Å; R76-L80 VanDerWaalsContact O-CD1 3.28Å; R76-L80 WeakPolarHBondContact O-CD1 3.48Å |
| 77 | F | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -89.9 | -3.1 | 178.4 | -55.9 | -46.5 | 0 | 0 | 0 | 114.1 | L44 V72 S74 S75 L80 R85 V89 A108 R109 T110 | L44-F77 HydrophobicContact CD1-CZ 4.01Å; L44-F77 HydrophobicContact CD2-CE1 4.17Å; L44-F77 HydrophobicContact CD2-CZ 4.33Å; V72-F77 HydrophobicContact CB-CE2 4.32Å; V72-F77 HydrophobicContact CG1-CE2 3.69Å; V72-F77 HydrophobicContact CG1-CZ 3.7Å; V72-F77 HydrophobicContact CG2-CE2 3.98Å; V72-F77 HydrophobicContact CG2-CZ 4.17Å; S74-F77 WeakPolarHBondContact O-CD2 3.28Å; S74-F77 PolarHBondContact O-N 3.29Å; S75-F77 PolarHBondContact O-N 3.42Å; F77-L80 PolarHBondContact O-N 3.41Å; F77-R85 HydrophobicContact CB-CG 3.92Å; F77-R85 HydrophobicContact CD1-CB 3.92Å; F77-R85 HydrophobicContact CD1-CG 3.76Å; F77-R85 HydrophobicContact CE1-CB 4.27Å; F77-R85 HydrophobicContact CG-CB 4.49Å; F77-R85 HydrophobicContact CG-CG 4.05Å; F77-R85 PolarHBondContact O-NE 2.93Å; F77-R85 PolarHBondContact O-NH2 2.81Å; F77-V89 HydrophobicContact CE1-CG2 4.39Å; F77-V89 HydrophobicContact CZ-CG2 4.15Å; F77-A108 HydrophobicContact CD1-CB 4.49Å; F77-A108 HydrophobicContact CD2-CB 4.16Å; F77-A108 HydrophobicContact CE1-CB 4.26Å; F77-A108 HydrophobicContact CE2-CB 3.92Å; F77-A108 HydrophobicContact CG-CB 4.43Å; F77-A108 HydrophobicContact CZ-CB 3.95Å; F77-R109 WeakPolarHBondContact CD2-O 3.34Å; F77-T110 HydrophobicContact CB-CG2 4.07Å |
| 78 | E | 91.7 | Very high | 91.9 | Very high | 117 Ų | 117 | 56.1 Ų | 56.1 | 55% | 0.547 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 134.1 | 176.6 | -70.4 | -179.5 | -179.3 | 0 | 0 | 111 | S75 L80 T110 | S75-E78 WeakPolarHBondContact O-CB 3.33Å; S75-E78 WeakPolarHBondContact O-CG 3.34Å; S75-E78 PolarHBondContact O-N 2.96Å; E78-L80 PolarHBondContact O-N 3.39Å; E78-L80 VanDerWaalsContact O-N 3.13Å; E78-T110 HydrophobicContact CG-CG2 3.76Å |
| 79 | G | 92 | Very high | 92.1 | Very high | 85 Ų | 85 | 56 Ų | 56 | 88% | 0.876 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | -2.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 80 | L | 92.6 | Very high | 92.3 | Very high | 48 Ų | 48 | 58.7 Ų | 58.7 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | trans | -93.2 | 140.8 | 178.4 | -61.3 | -175.4 | 0 | 0 | 0 | 112.5 | R76 F77 E78 Q84 R85 L88 | R76-L80 VanDerWaalsContact O-CD1 3.28Å; R76-L80 WeakPolarHBondContact O-CD1 3.48Å; F77-L80 PolarHBondContact O-N 3.41Å; E78-L80 PolarHBondContact O-N 3.39Å; E78-L80 VanDerWaalsContact O-N 3.13Å; L80-Q84 HydrophobicContact CB-CB 4.19Å; L80-Q84 HydrophobicContact CD2-CB 4.47Å; L80-R85 HydrophobicContact CB-CG 3.94Å; L80-R85 PolarHBondContact O-NE 2.85Å; L80-R85 PolarHBondContact O-NH2 2.83Å; L80-L88 HydrophobicContact CD1-CD1 3.37Å | ||
| 81 | S | 93.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 62.1 Ų | 62.1 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | trans | -66.7 | 155.3 | 170.6 | 66 | 0 | 0 | 0 | 0 | 111.7 | L83 Q84 R85 | S81-L83 VanDerWaalsContact C-N 3.26Å; S81-L83 PolarHBondContact O-N 2.98Å; S81-Q84 WeakPolarHBondContact O-CB 3.42Å; S81-Q84 PolarHBondContact O-N 3.29Å; S81-Q84 VanDerWaalsContact OG-CD 3.31Å; S81-Q84 VanDerWaalsContact OG-CG 3.29Å; S81-Q84 WeakPolarHBondContact OG-CG 3.48Å; S81-Q84 PolarHBondContact OG-N 3.13Å; S81-Q84 PolarHBondContact OG-OE1 3.05Å; S81-R85 WeakPolarHBondContact O-CG 3.42Å; S81-R85 PolarHBondContact O-N 2.75Å | ||
| 82 | P | 88.8 | Confident | 92.3 | Very high | 94 Ų | 94 | 63.2 Ų | 63.2 | 61% | 0.61 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -52.2 | -42.3 | 178.6 | -28.1 | 35.2 | 0 | 0 | 0 | 113.5 | Q84 R85 H86 | P82-Q84 PolarHBondContact O-N 2.87Å; P82-R85 PolarHBondContact O-N 3.02Å; P82-H86 PolarHBondContact O-CD2 2.68Å; P82-H86 PolarHBondContact O-N 2.65Å |
| 83 | L | 92.1 | Very high | 92.2 | Very high | 106 Ų | 106 | 63.3 Ų | 63.3 | 56% | 0.555 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.1 | -40.4 | 178 | -177.6 | 63.6 | 0 | 0 | 0 | 112.3 | S81 R85 H86 R87 | S81-L83 VanDerWaalsContact C-N 3.26Å; S81-L83 PolarHBondContact O-N 2.98Å; L83-R85 VanDerWaalsContact C-N 3.35Å; L83-H86 PolarHBondContact O-N 2.95Å; L83-R87 WeakPolarHBondContact O-CB 3.47Å; L83-R87 WeakPolarHBondContact O-CG 3.26Å; L83-R87 PolarHBondContact O-N 2.7Å |
| 84 | Q | 93.2 | Very high | 91.9 | Very high | 92 Ų | 92 | 65.8 Ų | 65.8 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.9 | -75.4 | 167.6 | -52.8 | 0 | 0 | 111.5 | L80 S81 P82 H86 R87 L88 | L80-Q84 HydrophobicContact CB-CB 4.19Å; L80-Q84 HydrophobicContact CD2-CB 4.47Å; S81-Q84 WeakPolarHBondContact O-CB 3.42Å; S81-Q84 PolarHBondContact O-N 3.29Å; S81-Q84 VanDerWaalsContact OG-CD 3.31Å; S81-Q84 VanDerWaalsContact OG-CG 3.29Å; S81-Q84 WeakPolarHBondContact OG-CG 3.48Å; S81-Q84 PolarHBondContact OG-N 3.13Å; S81-Q84 PolarHBondContact OG-OE1 3.05Å; P82-Q84 PolarHBondContact O-N 2.87Å; Q84-H86 PolarHBondContact O-N 3.47Å; Q84-R87 PolarHBondContact O-N 3.29Å; Q84-L88 WeakPolarHBondContact O-CG 3.42Å; Q84-L88 PolarHBondContact O-N 2.99Å |
| 85 | R | 93.6 | Very high | 91.5 | Very high | 30 Ų | 30 | 72.7 Ų | 72.7 | 11% | 0.113 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 175.2 | -59.4 | 173.8 | -170.5 | -166.7 | -2.8 | 111.1 | F77 L80 S81 P82 L83 R87 L88 V89 A108 | F77-R85 HydrophobicContact CB-CG 3.92Å; F77-R85 HydrophobicContact CD1-CB 3.92Å; F77-R85 HydrophobicContact CD1-CG 3.76Å; F77-R85 HydrophobicContact CE1-CB 4.27Å; F77-R85 HydrophobicContact CG-CB 4.49Å; F77-R85 HydrophobicContact CG-CG 4.05Å; F77-R85 PolarHBondContact O-NE 2.93Å; F77-R85 PolarHBondContact O-NH2 2.81Å; L80-R85 HydrophobicContact CB-CG 3.94Å; L80-R85 PolarHBondContact O-NE 2.85Å; L80-R85 PolarHBondContact O-NH2 2.83Å; S81-R85 WeakPolarHBondContact O-CG 3.42Å; S81-R85 PolarHBondContact O-N 2.75Å; P82-R85 PolarHBondContact O-N 3.02Å; L83-R85 VanDerWaalsContact C-N 3.35Å; R85-R87 VanDerWaalsContact C-N 3.35Å; R85-R87 PolarHBondContact O-N 3.2Å; R85-L88 PolarHBondContact O-N 3.33Å; R85-V89 WeakPolarHBondContact O-CG2 3.44Å; R85-V89 PolarHBondContact O-N 2.97Å; R85-V89 VanDerWaalsContact O-N 3.13Å; R85-A108 HydrophobicContact CB-CB 3.68Å; R85-A108 HydrophobicContact CG-CB 4.43Å; R85-A108 PolarHBondContact NH1-O 3.42Å |
| 86 | H | 91.4 | Very high | 91.1 | Very high | 71 Ų | 71 | 71.3 Ų | 71.3 | 33% | 0.329 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 177.5 | -74.4 | -142.8 | 0 | 0 | 0 | 111.6 | P82 L83 Q84 L88 V89 H90 | P82-H86 PolarHBondContact O-CD2 2.68Å; P82-H86 PolarHBondContact O-N 2.65Å; L83-H86 PolarHBondContact O-N 2.95Å; Q84-H86 PolarHBondContact O-N 3.47Å; H86-L88 VanDerWaalsContact C-N 3.33Å; H86-L88 PolarHBondContact O-N 2.7Å; H86-V89 PolarHBondContact O-N 2.72Å; H86-H90 WeakPolarHBondContact O-CB 3.5Å; H86-H90 PolarHBondContact O-N 3.21Å |
| 87 | R | 93.5 | Very high | 90.7 | Very high | 165 Ų | 165 | 66.7 Ų | 66.7 | 62% | 0.623 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.5 | -40.3 | 175.3 | -76.2 | 177.7 | 176.3 | -177.3 | -0.5 | 112.6 | L83 Q84 R85 H90 A91 | L83-R87 WeakPolarHBondContact O-CB 3.47Å; L83-R87 WeakPolarHBondContact O-CG 3.26Å; L83-R87 PolarHBondContact O-N 2.7Å; Q84-R87 PolarHBondContact O-N 3.29Å; R85-R87 VanDerWaalsContact C-N 3.35Å; R85-R87 PolarHBondContact O-N 3.2Å; R87-H90 PolarHBondContact O-N 3.09Å; R87-A91 VanDerWaalsContact O-CB 3.26Å; R87-A91 WeakPolarHBondContact O-CB 3.48Å; R87-A91 PolarHBondContact O-N 3.39Å |
| 88 | L | 91.9 | Very high | 90.2 | Very high | 74 Ų | 74 | 71 Ų | 71 | 39% | 0.387 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 176.2 | -76.4 | 175.1 | 0 | 0 | 0 | 111.8 | L80 Q84 R85 H86 A91 A92 | L80-L88 HydrophobicContact CD1-CD1 3.37Å; Q84-L88 WeakPolarHBondContact O-CG 3.42Å; Q84-L88 PolarHBondContact O-N 2.99Å; R85-L88 PolarHBondContact O-N 3.33Å; H86-L88 VanDerWaalsContact C-N 3.33Å; H86-L88 PolarHBondContact O-N 2.7Å; L88-A91 PolarHBondContact O-N 3.06Å; L88-A92 PolarHBondContact O-N 3.27Å |
| 89 | V | 91.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 177.3 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | L40 L44 V72 F77 R85 H86 A91 A92 L93 L104 I106 | L40-V89 HydrophobicContact CD2-CG1 3.99Å; L44-V89 HydrophobicContact CD1-CG2 3.95Å; V72-V89 HydrophobicContact CG1-CG2 4.07Å; F77-V89 HydrophobicContact CE1-CG2 4.39Å; F77-V89 HydrophobicContact CZ-CG2 4.15Å; R85-V89 WeakPolarHBondContact O-CG2 3.44Å; R85-V89 PolarHBondContact O-N 2.97Å; R85-V89 VanDerWaalsContact O-N 3.13Å; H86-V89 PolarHBondContact O-N 2.72Å; V89-A91 VanDerWaalsContact C-N 3.32Å; V89-A91 PolarHBondContact O-N 2.85Å; V89-A92 PolarHBondContact O-N 3.34Å; V89-L93 HydrophobicContact CG1-CD1 4.09Å; V89-L93 WeakPolarHBondContact O-CG 3.5Å; V89-L93 PolarHBondContact O-N 2.95Å; V89-L93 VanDerWaalsContact O-N 3.09Å; V89-L104 HydrophobicContact CG1-CD2 4.35Å; V89-I106 HydrophobicContact CB-CD1 4.01Å; V89-I106 HydrophobicContact CB-CG2 4.16Å; V89-I106 HydrophobicContact CG1-CD1 3.64Å; V89-I106 HydrophobicContact CG1-CG1 3.95Å; V89-I106 HydrophobicContact CG1-CG2 4.02Å; V89-I106 HydrophobicContact CG2-CG2 4Å |
| 90 | H | 91.8 | Very high | 89 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 38% | 0.384 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 175 | -76.7 | -168.9 | 0 | 0 | 0 | 112.4 | H86 R87 A92 L93 A94 L97 I106 | H86-H90 WeakPolarHBondContact O-CB 3.5Å; H86-H90 PolarHBondContact O-N 3.21Å; R87-H90 PolarHBondContact O-N 3.09Å; H90-A92 VanDerWaalsContact C-N 3.34Å; H90-L93 CarbonylContact O-C 3.54Å; H90-L93 PolarHBondContact O-N 3.43Å; H90-A94 WeakPolarHBondContact O-CA 2.97Å; H90-A94 PolarHBondContact O-N 3.46Å; H90-L97 HydrophobicContact CB-CD1 4.35Å; H90-I106 WeakPolarHBondContact CD2-CD1 3.29Å; H90-I106 WeakPolarHBondContact NE2-CD1 3.13Å |
| 91 | A | 91.4 | Very high | 88.5 | Confident | 72 Ų | 72 | 64.3 Ų | 64.3 | 60% | 0.595 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.9 | -41 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R87 L88 V89 L93 | R87-A91 VanDerWaalsContact O-CB 3.26Å; R87-A91 WeakPolarHBondContact O-CB 3.48Å; R87-A91 PolarHBondContact O-N 3.39Å; L88-A91 PolarHBondContact O-N 3.06Å; V89-A91 VanDerWaalsContact C-N 3.32Å; V89-A91 PolarHBondContact O-N 2.85Å; A91-L93 VanDerWaalsContact C-N 3.26Å; A91-L93 PolarHBondContact O-N 3.35Å |
| 92 | A | 90.9 | Very high | 87.6 | Confident | 26 Ų | 26 | 68.9 Ų | 68.9 | 22% | 0.215 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.7 | -28.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L40 A43 L88 V89 H90 | L40-A92 HydrophobicContact CD2-CB 4.3Å; A43-A92 HydrophobicContact CB-CB 3.78Å; L88-A92 PolarHBondContact O-N 3.27Å; V89-A92 PolarHBondContact O-N 3.34Å; H90-A92 VanDerWaalsContact C-N 3.34Å |
| 93 | L | 90.5 | Very high | 87.3 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 12.7 | -176.2 | -61.4 | 178.7 | 0 | 0 | 0 | 113.9 | I36 K39 L40 V89 H90 A91 E95 E96 L97 L104 | I36-L93 HydrophobicContact CB-CD2 4.18Å; I36-L93 HydrophobicContact CG1-CD2 4.24Å; I36-L93 HydrophobicContact CG2-CD1 3.85Å; I36-L93 HydrophobicContact CG2-CD2 3.87Å; K39-L93 HydrophobicContact CB-CD2 4Å; K39-L93 HydrophobicContact CD-CD2 4.45Å; L40-L93 HydrophobicContact CD1-CD1 4.18Å; L40-L93 HydrophobicContact CD2-CD1 3.97Å; L40-L93 HydrophobicContact CD2-CD2 4.22Å; L40-L93 HydrophobicContact CD2-CG 3.96Å; L40-L93 HydrophobicContact CG-CD1 4.22Å; L40-L93 HydrophobicContact CG-CD2 4.09Å; L40-L93 HydrophobicContact CG-CG 4.31Å; V89-L93 HydrophobicContact CG1-CD1 4.09Å; V89-L93 WeakPolarHBondContact O-CG 3.5Å; V89-L93 PolarHBondContact O-N 2.95Å; V89-L93 VanDerWaalsContact O-N 3.09Å; H90-L93 CarbonylContact O-C 3.54Å; H90-L93 PolarHBondContact O-N 3.43Å; A91-L93 VanDerWaalsContact C-N 3.26Å; A91-L93 PolarHBondContact O-N 3.35Å; L93-E95 PolarHBondContact O-N 2.96Å; L93-E95 VanDerWaalsContact O-N 3.16Å; L93-E96 PolarHBondContact O-N 3.49Å; L93-L97 HydrophobicContact CB-CD1 4.28Å; L93-L97 HydrophobicContact CB-CG 4.41Å; L93-L97 WeakPolarHBondContact O-CG 3.43Å; L93-L97 PolarHBondContact O-N 2.83Å; L93-L104 HydrophobicContact CD1-CD2 3.43Å; L93-L104 VanDerWaalsContact CD1-CD2 3.43Å |
| 94 | A | 88.1 | Confident | 87 | Confident | 54 Ų | 54 | 62.5 Ų | 62.5 | 45% | 0.446 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57 | -37.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | H90 A98 | H90-A94 WeakPolarHBondContact O-CA 2.97Å; H90-A94 PolarHBondContact O-N 3.46Å; A94-A98 WeakPolarHBondContact O-CB 3.18Å; A94-A98 PolarHBondContact O-N 2.84Å |
| 95 | E | 85.5 | Confident | 86.8 | Confident | 147 Ų | 147 | 60.1 Ų | 60.1 | 69% | 0.687 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.8 | -39 | 176.9 | -66.4 | 174 | -176.8 | 0 | 0 | 113 | K39 L93 A98 G99 | K39-E95 IonicContact NZ-OE2 2.7Å; K39-E95 PolarHBondContact NZ-OE2 3.29Å; L93-E95 PolarHBondContact O-N 2.96Å; L93-E95 VanDerWaalsContact O-N 3.16Å; E95-A98 PolarHBondContact O-N 3.44Å; E95-G99 PolarHBondContact O-N 3.25Å |
| 96 | E | 84.4 | Confident | 86.6 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -74.8 | -36.7 | 179.9 | -56.8 | -55.3 | 143.1 | 0 | 0 | 111.3 | I36 K39 L93 A98 G99 P100 V101 | I36-E96 HydrophobicContact CG1-CB 4.34Å; I36-E96 HydrophobicContact CG1-CG 4.17Å; K39-E96 HydrophobicContact CD-CG 4.16Å; K39-E96 IonicContact NZ-OE1 2.72Å; K39-E96 PolarHBondContact NZ-OE1 3.06Å; L93-E96 PolarHBondContact O-N 3.49Å; E96-A98 VanDerWaalsContact C-N 3.3Å; E96-G99 PolarHBondContact O-N 2.59Å; E96-G99 VanDerWaalsContact O-N 3.16Å; E96-P100 WeakPolarHBondContact O-CD 3.32Å; E96-V101 HydrophobicContact CB-CG2 4.26Å; E96-V101 PolarHBondContact O-N 3.12Å |
| 97 | L | 83.4 | Confident | 86.6 | Confident | 52 Ų | 52 | 57.3 Ų | 57.3 | 27% | 0.272 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.2 | -25.3 | 174.9 | -71 | 170.5 | 0 | 0 | 0 | 112.8 | H90 L93 V101 L104 | H90-L97 HydrophobicContact CB-CD1 4.35Å; L93-L97 HydrophobicContact CB-CD1 4.28Å; L93-L97 HydrophobicContact CB-CG 4.41Å; L93-L97 WeakPolarHBondContact O-CG 3.43Å; L93-L97 PolarHBondContact O-N 2.83Å; L97-V101 HydrophobicContact CD2-CB 4.2Å; L97-V101 HydrophobicContact CD2-CG1 3.81Å; L97-L104 HydrophobicContact CD2-CB 4.2Å |
| 98 | A | 81.9 | Confident | 86.6 | Confident | 90 Ų | 90 | 50 Ų | 50 | 74% | 0.744 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -11.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A94 E95 E96 | A94-A98 WeakPolarHBondContact O-CB 3.18Å; A94-A98 PolarHBondContact O-N 2.84Å; E95-A98 PolarHBondContact O-N 3.44Å; E96-A98 VanDerWaalsContact C-N 3.3Å |
| 99 | G | 80.7 | Confident | 86.6 | Confident | 46 Ų | 46 | 48.3 Ų | 48.3 | 47% | 0.474 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | -113.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E95 E96 | E95-G99 PolarHBondContact O-N 3.25Å; E96-G99 PolarHBondContact O-N 2.59Å; E96-G99 VanDerWaalsContact O-N 3.16Å |
| 100 | P | 76.9 | Confident | 86.6 | Confident | 58 Ų | 58 | 48.8 Ų | 48.8 | 38% | 0.377 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -25.6 | -168.9 | 29.1 | -34.7 | 0 | 0 | 0 | 114.3 | V32 E96 H102 | V32-P100 HydrophobicContact CG1-CG 3.95Å; V32-P100 HydrophobicContact CG2-CB 4.23Å; V32-P100 HydrophobicContact CG2-CG 3.77Å; E96-P100 WeakPolarHBondContact O-CD 3.32Å; P100-H102 PolarHBondContact O-N 3.05Å; P100-H102 PolarHBondContact O-ND1 3.03Å; P100-H102 VanDerWaalsContact O-ND1 3.1Å |
| 101 | V | 82.3 | Confident | 86.6 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | trans | -82 | 119.1 | -173.6 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | V32 I36 F68 E96 L97 | V32-V101 HydrophobicContact CG1-CG2 3.71Å; I36-V101 HydrophobicContact CD1-CG2 3.99Å; F68-V101 HydrophobicContact CD2-CG1 3.98Å; F68-V101 HydrophobicContact CD2-CG2 3.96Å; F68-V101 HydrophobicContact CE2-CG2 3.93Å; E96-V101 HydrophobicContact CB-CG2 4.26Å; E96-V101 PolarHBondContact O-N 3.12Å; L97-V101 HydrophobicContact CD2-CB 4.2Å; L97-V101 HydrophobicContact CD2-CG1 3.81Å | ||
| 102 | H | 76.4 | Confident | 86.6 | Confident | 146 Ų | 146 | 44.2 Ų | 44.2 | 68% | 0.676 | 28% | 0.28 | S | S | * | . | trans | -90.5 | -37.1 | 178.9 | -73.3 | 58.9 | 0 | 0 | 0 | 112.4 | T66 P100 | T66-H102 PolarHBondContact O-N 3.08Å; P100-H102 PolarHBondContact O-N 3.05Å; P100-H102 PolarHBondContact O-ND1 3.03Å; P100-H102 VanDerWaalsContact O-ND1 3.1Å | ||
| 103 | A | 80.9 | Confident | 86.5 | Confident | 41 Ų | 41 | 46.8 Ų | 46.8 | 34% | 0.339 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 139.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T66 H67 F68 | T66-A103 PolarHBondContact O-N 3.07Å; T66-A103 VanDerWaalsContact O-N 3.07Å; H67-A103 WeakPolarHBondContact CA-O 3.43Å; F68-A103 PolarHBondContact N-O 2.92Å |
| 104 | L | 86.8 | Confident | 86.5 | Confident | 25 Ų | 25 | 48.7 Ų | 48.7 | 13% | 0.131 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 117.7 | 177.3 | -176.9 | 70.3 | 0 | 0 | 0 | 109.7 | F68 V70 V89 L93 L97 I106 | F68-L104 HydrophobicContact CB-CD1 3.55Å; F68-L104 CarbonylContact O-C 3.54Å; F68-L104 VanDerWaalsContact O-CA 3.32Å; F68-L104 WeakPolarHBondContact O-CA 3.18Å; V70-L104 HydrophobicContact CB-CD1 4.2Å; V70-L104 HydrophobicContact CG1-CD1 3.8Å; V70-L104 HydrophobicContact CG1-CD2 4.04Å; V70-L104 HydrophobicContact CG1-CG 4Å; V89-L104 HydrophobicContact CG1-CD2 4.35Å; L93-L104 HydrophobicContact CD1-CD2 3.43Å; L93-L104 VanDerWaalsContact CD1-CD2 3.43Å; L97-L104 HydrophobicContact CD2-CB 4.2Å; L104-I106 HydrophobicContact CD2-CD1 3.95Å; L104-I106 HydrophobicContact CD2-CG1 3.76Å; L104-I106 HydrophobicContact CG-CD1 4.37Å; L104-I106 HydrophobicContact CG-CG1 3.8Å |
| 105 | A | 88.3 | Confident | 86.5 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 34% | 0.339 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 118.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | F68 R69 V70 | F68-A105 PolarHBondContact O-N 3.09Å; R69-A105 CarbonylContact C-O 3.59Å; R69-A105 WeakPolarHBondContact CA-O 3.46Å; R69-A105 HydrophobicContact CB-CB 4.17Å; R69-A105 HydrophobicContact CG-CB 4.15Å; V70-A105 PolarHBondContact N-O 3.33Å |
| 106 | I | 90.6 | Very high | 86.6 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.8 | -174.5 | -58.9 | 164.6 | 0 | 0 | 0 | 109.7 | V70 V89 H90 L104 A108 | V70-I106 HydrophobicContact CG1-CB 4.39Å; V70-I106 HydrophobicContact CG1-CG1 3.95Å; V70-I106 HydrophobicContact CG1-CG2 4.45Å; V70-I106 CarbonylContact O-C 3.39Å; V70-I106 WeakPolarHBondContact O-CA 3.19Å; V89-I106 HydrophobicContact CB-CD1 4.01Å; V89-I106 HydrophobicContact CB-CG2 4.16Å; V89-I106 HydrophobicContact CG1-CD1 3.64Å; V89-I106 HydrophobicContact CG1-CG1 3.95Å; V89-I106 HydrophobicContact CG1-CG2 4.02Å; V89-I106 HydrophobicContact CG2-CG2 4Å; H90-I106 WeakPolarHBondContact CD2-CD1 3.29Å; H90-I106 WeakPolarHBondContact NE2-CD1 3.13Å; L104-I106 HydrophobicContact CD2-CD1 3.95Å; L104-I106 HydrophobicContact CD2-CG1 3.76Å; L104-I106 HydrophobicContact CG-CD1 4.37Å; L104-I106 HydrophobicContact CG-CG1 3.8Å; I106-A108 HydrophobicContact CG2-CB 4.24Å |
| 107 | Q | 91.2 | Very high | 86.6 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 95.5 | 168.8 | -71.6 | 173.9 | -56.3 | 0 | 0 | 108.7 | V70 A71 V72 D121 | V70-Q107 PolarHBondContact O-N 3.37Å; A71-Q107 CarbonylContact C-O 3.59Å; A71-Q107 WeakPolarHBondContact CA-O 3.45Å; A71-Q107 HydrophobicContact CB-CB 4.04Å; V72-Q107 PolarHBondContact N-O 3.45Å; Q107-D121 VanDerWaalsContact NE2-CB 3.34Å; Q107-D121 PolarHBondContact NE2-O 3.05Å; Q107-D121 PolarHBondContact NE2-OD2 3.47Å |
| 108 | A | 92.1 | Very high | 86.5 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 104.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V72 F77 R85 I106 | V72-A108 HydrophobicContact CG1-CB 4.06Å; V72-A108 WeakPolarHBondContact O-CA 3.34Å; F77-A108 HydrophobicContact CD1-CB 4.49Å; F77-A108 HydrophobicContact CD2-CB 4.16Å; F77-A108 HydrophobicContact CE1-CB 4.26Å; F77-A108 HydrophobicContact CE2-CB 3.92Å; F77-A108 HydrophobicContact CG-CB 4.43Å; F77-A108 HydrophobicContact CZ-CB 3.95Å; R85-A108 HydrophobicContact CB-CB 3.68Å; R85-A108 HydrophobicContact CG-CB 4.43Å; R85-A108 PolarHBondContact NH1-O 3.42Å; I106-A108 HydrophobicContact CG2-CB 4.24Å |
| 109 | R | 91.8 | Very high | 86.2 | Confident | 37 Ų | 37 | 61.3 Ų | 61.3 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 154 | -178.1 | -65.1 | -169 | 179.8 | 172.3 | 7.4 | 111.3 | V72 V73 S74 F77 Q113 N117 Q119 D121 | V72-R109 PolarHBondContact O-N 3.32Å; V73-R109 VanDerWaalsContact CA-O 3.28Å; V73-R109 WeakPolarHBondContact CA-O 3.21Å; V73-R109 HydrophobicContact CG2-CB 4.46Å; S74-R109 PolarHBondContact N-O 3.38Å; F77-R109 WeakPolarHBondContact CD2-O 3.34Å; R109-Q113 HydrophobicContact CB-CB 4.31Å; R109-N117 PolarHBondContact NH1-O 3.48Å; R109-Q119 PolarHBondContact NH1-O 3Å; R109-Q119 PolarHBondContact NH2-O 3.33Å; R109-Q119 VanDerWaalsContact NH2-O 3.1Å; R109-D121 IonicContact NH2-OD1 2.82Å; R109-D121 IonicContact NH2-OD2 3.77Å; R109-D121 PolarHBondContact NH2-OD2 3.46Å; R109-D121 VanDerWaalsContact NH2-OD2 3.08Å |
| 110 | T | 93.4 | Very high | 85.7 | Confident | 10 Ų | 10 | 60.9 Ų | 60.9 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | trans | -82.6 | 158.4 | 170.1 | 63.4 | 0 | 0 | 0 | 0 | 110.3 | F77 E78 A112 Q113 W114 | F77-T110 HydrophobicContact CB-CG2 4.07Å; E78-T110 HydrophobicContact CG-CG2 3.76Å; T110-A112 PolarHBondContact O-N 3.16Å; T110-Q113 PolarHBondContact O-N 3.05Å; T110-Q113 VanDerWaalsContact O-N 3.08Å; T110-Q113 VanDerWaalsContact OG1-CG 3.26Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.41Å; T110-Q113 PolarHBondContact OG1-N 2.92Å; T110-W114 PolarHBondContact O-N 3.21Å | ||
| 111 | P | 91.4 | Very high | 85.1 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.032 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57 | -35.8 | 175.7 | -24.8 | 34.4 | 0 | 0 | 0 | 112.4 | E47 V73 W114 R115 | E47-P111 WeakPolarHBondContact OE1-CB 3.44Å; E47-P111 WeakPolarHBondContact OE1-CG 3.36Å; V73-P111 HydrophobicContact CG1-CB 4.31Å; V73-P111 HydrophobicContact CG1-CG 4.19Å; P111-W114 PolarHBondContact O-N 3.37Å; P111-R115 WeakPolarHBondContact O-CG 3.45Å; P111-R115 PolarHBondContact O-N 2.99Å |
| 112 | A | 90.7 | Very high | 84.1 | Confident | 54 Ų | 54 | 68 Ų | 68 | 45% | 0.446 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T110 W114 R115 E116 | T110-A112 PolarHBondContact O-N 3.16Å; A112-W114 VanDerWaalsContact C-N 3.3Å; A112-W114 PolarHBondContact O-N 2.94Å; A112-R115 PolarHBondContact O-N 3.49Å; A112-E116 PolarHBondContact O-N 2.82Å |
| 113 | Q | 89.3 | Confident | 83.2 | Confident | 81 Ų | 81 | 64.2 Ų | 64.2 | 38% | 0.379 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.2 | -36.4 | 177 | -73.1 | 174 | -20.3 | 0 | 0 | 112 | R109 T110 E116 N117 | R109-Q113 HydrophobicContact CB-CB 4.31Å; T110-Q113 PolarHBondContact O-N 3.05Å; T110-Q113 VanDerWaalsContact O-N 3.08Å; T110-Q113 VanDerWaalsContact OG1-CG 3.26Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.41Å; T110-Q113 PolarHBondContact OG1-N 2.92Å; Q113-E116 PolarHBondContact O-N 3.24Å; Q113-N117 PolarHBondContact O-N 3.13Å |
| 114 | W | 89.9 | Confident | 82.1 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 16% | 0.159 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 178.1 | -173.2 | -106.7 | 0 | 0 | 0 | 113 | V48 V73 T110 P111 A112 E116 N117 S118 L120 | V48-W114 HydrophobicContact CG1-CZ2 4.1Å; V73-W114 HydrophobicContact CG1-CB 3.69Å; V73-W114 HydrophobicContact CG1-CG 4.12Å; V73-W114 HydrophobicContact CG2-CB 3.99Å; V73-W114 HydrophobicContact CG2-CD2 3.65Å; V73-W114 HydrophobicContact CG2-CE3 3.69Å; V73-W114 HydrophobicContact CG2-CG 3.8Å; V73-W114 HydrophobicContact CG2-CZ3 4.38Å; T110-W114 PolarHBondContact O-N 3.21Å; P111-W114 PolarHBondContact O-N 3.37Å; A112-W114 VanDerWaalsContact C-N 3.3Å; A112-W114 PolarHBondContact O-N 2.94Å; W114-E116 VanDerWaalsContact C-N 3.28Å; W114-E116 PolarHBondContact O-N 3Å; W114-N117 CarbonylContact O-C 3.25Å; W114-N117 VanDerWaalsContact O-C 3.25Å; W114-N117 PolarHBondContact O-N 2.81Å; W114-S118 WeakPolarHBondContact CH2-O 3.33Å; W114-S118 PolarHBondContact O-N 2.86Å; W114-L120 HydrophobicContact CH2-CD1 4.44Å; W114-L120 HydrophobicContact CH2-CD2 3.63Å; W114-L120 HydrophobicContact CH2-CG 3.82Å; W114-L120 HydrophobicContact CZ3-CD2 3.45Å; W114-L120 VanDerWaalsContact CZ3-CD2 3.45Å; W114-L120 HydrophobicContact CZ3-CG 4.1Å |
| 115 | R | 88.2 | Confident | 80.8 | Confident | 184 Ų | 184 | 71.6 Ų | 71.6 | 69% | 0.694 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.3 | -33.8 | 175.8 | -71.7 | 176.6 | -159.9 | 126.2 | 8.9 | 112.3 | E47 P111 A112 | E47-R115 IonicContact OE2-NH2 3.59Å; P111-R115 WeakPolarHBondContact O-CG 3.45Å; P111-R115 PolarHBondContact O-N 2.99Å; A112-R115 PolarHBondContact O-N 3.49Å |
| 116 | E | 88.1 | Confident | 78.8 | Confident | 174 Ų | 174 | 74.9 Ų | 74.9 | 81% | 0.813 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -78 | -41.1 | 177.2 | -172.6 | 170.6 | -139.2 | 0 | 0 | 112 | A112 Q113 W114 | A112-E116 PolarHBondContact O-N 2.82Å; Q113-E116 PolarHBondContact O-N 3.24Å; W114-E116 VanDerWaalsContact C-N 3.28Å; W114-E116 PolarHBondContact O-N 3Å |
| 117 | N | 84.4 | Confident | 77.3 | Confident | 67 Ų | 67 | 82.3 Ų | 82.3 | 36% | 0.358 | 45% | 0.45 | S | S | . | . | trans | -143.4 | 102.1 | 176.4 | -174.4 | 7.2 | 0 | 0 | 0 | 111.8 | R109 Q113 W114 Q119 | R109-N117 PolarHBondContact NH1-O 3.48Å; Q113-N117 PolarHBondContact O-N 3.13Å; W114-N117 CarbonylContact O-C 3.25Å; W114-N117 VanDerWaalsContact O-C 3.25Å; W114-N117 PolarHBondContact O-N 2.81Å; N117-Q119 VanDerWaalsContact C-N 3.29Å; N117-Q119 VanDerWaalsContact OD1-CB 3.25Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.35Å; N117-Q119 WeakPolarHBondContact OD1-CG 3Å; N117-Q119 PolarHBondContact OD1-N 3.16Å | ||
| 118 | S | 80.6 | Confident | 75.4 | Confident | 75 Ų | 75 | 83.8 Ų | 83.8 | 52% | 0.524 | 47% | 0.472 | S | S | . | . | trans | -86.7 | 4.9 | 176.7 | 67.1 | 0 | 0 | 0 | 0 | 113.5 | W114 L120 | W114-S118 WeakPolarHBondContact CH2-O 3.33Å; W114-S118 PolarHBondContact O-N 2.86Å; S118-L120 PolarHBondContact O-N 3.16Å | ||
| 119 | Q | 77.1 | Confident | 73.5 | Confident | 141 Ų | 141 | 87.1 Ų | 87.1 | 66% | 0.659 | 51% | 0.508 | S | S | * | . | trans | -75.7 | 118.3 | 178.6 | -59.4 | -176.6 | 29.1 | 0 | 0 | 109.7 | R109 N117 | R109-Q119 PolarHBondContact NH1-O 3Å; R109-Q119 PolarHBondContact NH2-O 3.33Å; R109-Q119 VanDerWaalsContact NH2-O 3.1Å; N117-Q119 VanDerWaalsContact C-N 3.29Å; N117-Q119 VanDerWaalsContact OD1-CB 3.25Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.35Å; N117-Q119 WeakPolarHBondContact OD1-CG 3Å; N117-Q119 PolarHBondContact OD1-N 3.16Å | ||
| 120 | L | 69.7 | Low | 71.5 | Confident | 37 Ų | 37 | 92 Ų | 92 | 19% | 0.194 | 54% | 0.537 | C | S | . | . | trans | -76.5 | 122 | 165.8 | -63.3 | -178.6 | 0 | 0 | 0 | 108.6 | E50 A71 W114 S118 T122 | E50-L120 HydrophobicContact CB-CD1 4.1Å; E50-L120 VanDerWaalsContact CD-CD1 3.49Å; E50-L120 HydrophobicContact CG-CD1 4.25Å; E50-L120 WeakPolarHBondContact OE2-CD1 3.41Å; A71-L120 HydrophobicContact CB-CD1 3.85Å; A71-L120 HydrophobicContact CB-CD2 3.25Å; A71-L120 HydrophobicContact CB-CG 4.21Å; W114-L120 HydrophobicContact CH2-CD1 4.44Å; W114-L120 HydrophobicContact CH2-CD2 3.63Å; W114-L120 HydrophobicContact CH2-CG 3.82Å; W114-L120 HydrophobicContact CZ3-CD2 3.45Å; W114-L120 VanDerWaalsContact CZ3-CD2 3.45Å; W114-L120 HydrophobicContact CZ3-CG 4.1Å; S118-L120 PolarHBondContact O-N 3.16Å; L120-T122 VanDerWaalsContact C-N 3.31Å; L120-T122 PolarHBondContact O-N 3.1Å; L120-T122 PolarHBondContact O-OG1 3.07Å | ||
| 121 | D | 64.9 | Low | 69.2 | Low | 102 Ų | 102 | 101.1 Ų | 101.1 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | trans | -60.4 | 100.4 | 172.7 | -48 | -58.2 | 0 | 0 | 0 | 107.3 | Q107 R109 | Q107-D121 VanDerWaalsContact NE2-CB 3.34Å; Q107-D121 PolarHBondContact NE2-O 3.05Å; Q107-D121 PolarHBondContact NE2-OD2 3.47Å; R109-D121 IonicContact NH2-OD1 2.82Å; R109-D121 IonicContact NH2-OD2 3.77Å; R109-D121 PolarHBondContact NH2-OD2 3.46Å; R109-D121 VanDerWaalsContact NH2-OD2 3.08Å | ||
| 122 | T | 60.5 | Low | 66.8 | Low | 112 Ų | 112 | 110.4 Ų | 110.4 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 131.1 | 173.2 | -61.8 | 0 | 0 | 0 | 0 | 106.3 | L120 | L120-T122 VanDerWaalsContact C-N 3.31Å; L120-T122 PolarHBondContact O-N 3.1Å; L120-T122 PolarHBondContact O-OG1 3.07Å |
| 123 | S | 56.4 | Low | 64.8 | Low | 66 Ų | 66 | 112.9 Ų | 112.9 | 46% | 0.462 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -51.3 | 136.1 | 177.2 | -89.5 | 0 | 0 | 0 | 0 | 109.8 | R69 | R69-S123 VanDerWaalsContact NH1-N 3.1Å; R69-S123 PolarHBondContact NH2-OG 3.02Å |
| 124 | P | 59.6 | Low | 63 | Low | 105 Ų | 105 | 117.1 Ų | 117.1 | 68% | 0.682 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 141.7 | 173.8 | -22.4 | 30.7 | 0 | 0 | 0 | 109.4 | C126 | P124-C126 PolarHBondContact O-N 2.89Š|
| 125 | P | 57.4 | Low | 61.2 | Low | 116 Ų | 116 | 118.8 Ų | 118.8 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 120.3 | 174.6 | 23.3 | -32.1 | 0 | 0 | 0 | 107.9 | L127 | P125-L127 PolarHBondContact O-N 2.73Š|
| 126 | C | 46.7 | Very low | 59.6 | Low | 110 Ų | 110 | 116.6 Ų | 116.6 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | trans | -55.9 | 101.8 | 178.4 | -67.5 | 0 | 0 | 0 | 0 | 108.6 | P124 G128 | P124-C126 PolarHBondContact O-N 2.89Å; C126-G128 PolarHBondContact O-N 2.68Å | ||
| 127 | L | 59.1 | Low | 58.6 | Low | 172 Ų | 172 | 117.4 Ų | 117.4 | 90% | 0.901 | 72% | 0.718 | S | S | * | * | trans | -70.9 | 83.7 | 166.4 | -76 | 164.6 | 0 | 0 | 0 | 106.5 | P125 G129 | P125-L127 PolarHBondContact O-N 2.73Å; L127-G129 PolarHBondContact O-N 3.02Å | ||
| 128 | G | 50.9 | Low | 57.3 | Low | 57 Ų | 57 | 120 Ų | 120 | 59% | 0.588 | 74% | 0.736 | S | S | * | * | trans | -49 | 110.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | C126 N130 | C126-G128 PolarHBondContact O-N 2.68Å; G128-N130 PolarHBondContact O-N 3.01Å | ||
| 129 | G | 54.3 | Low | 56.1 | Low | 83 Ų | 83 | 122.3 Ų | 122.3 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | -73.5 | 88.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L127 | L127-G129 PolarHBondContact O-N 3.02Š| ||
| 130 | N | 48.9 | Very low | 54.9 | Low | 140 Ų | 140 | 121.3 Ų | 121.3 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | -165.3 | 77.9 | 157.5 | 61.8 | -20.7 | 0 | 0 | 0 | 112.3 | G128 | G128-N130 PolarHBondContact O-N 3.01Š| ||
| 131 | K | 44 | Very low | 54 | Low | 201 Ų | 201 | 126.2 Ų | 126.2 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -132.8 | 114 | 155.6 | -50.9 | -175.8 | -166.5 | 179.7 | 0 | 107.5 | ||||
| 132 | K | 42 | Very low | 53.3 | Low | 199 Ų | 199 | 127.8 Ų | 127.8 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -47.3 | 146.3 | -177.5 | -54.7 | -176.8 | -166.4 | -177.6 | 0 | 110.9 | L134 | K132-L134 PolarHBondContact O-N 3.04Š| ||
| 133 | A | 49.1 | Very low | 52.9 | Low | 106 Ų | 106 | 128.8 Ų | 128.8 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | -44.1 | 114.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 134 | L | 51.8 | Low | 52.6 | Low | 171 Ų | 171 | 133.3 Ų | 133.3 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | trans | -120.9 | 121.6 | 169.6 | -159.8 | 77.3 | 0 | 0 | 0 | 106.6 | K132 | K132-L134 PolarHBondContact O-N 3.04Š| ||
| 135 | G | 52.2 | Low | 52.1 | Low | 76 Ų | 76 | 135.5 Ų | 135.5 | 78% | 0.784 | 84% | 0.844 | S | S | * | * | trans | -59.2 | 148.1 | -160.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 136 | T | 54.6 | Low | 51.6 | Low | 138 Ų | 138 | 137.1 Ų | 137.1 | 85% | 0.847 | 85% | 0.852 | S | S | * | * | trans | -82.8 | 134 | 161.3 | -34.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 137 | P | 65.8 | Low | 52.1 | Low | 192 Ų | 192 | 139.5 Ų | 139.5 | 100% | 1.247 | 86% | 0.862 | S | S | * | * | trans | -65.1 | 0 | -178.7 | 28.3 | -36.5 | 0 | 0 | 0 | 113.7 |
Retrieved 137 of 137 residues in 90.3 ms
(Link to these results)