| 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 | 62.8 | Low | 75 | Confident | 206 Ų | 206 | 114 Ų | 114 | 100% | 1.015 | 61% | 0.613 | S | S | * | * | 0 | -32.4 | 0 | -78.7 | 178.3 | 178.6 | 0 | 0 | 110.9 | V3 L4 F5 | M1-V3 PolarHBondContact O-N 2.83Å; M1-L4 PolarHBondContact O-N 2.7Å; M1-F5 PolarHBondContact O-N 3.28Å | |||
| 2 | D | 73.3 | Confident | 74.8 | Confident | 124 Ų | 124 | 111 Ų | 111 | 66% | 0.663 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.2 | -37.5 | -175 | -44 | -25.3 | 0 | 0 | 0 | 114.4 | L4 F5 I6 | D2-L4 PolarHBondContact O-N 3.3Å; D2-F5 PolarHBondContact O-N 3.45Å; D2-I6 WeakPolarHBondContact O-CB 3.02Å; D2-I6 WeakPolarHBondContact O-CD1 3.45Å; D2-I6 WeakPolarHBondContact O-CG1 3.2Å; D2-I6 PolarHBondContact O-N 3.42Å |
| 3 | V | 73.7 | Confident | 74.7 | Confident | 117 Ų | 117 | 111.1 Ų | 111.1 | 71% | 0.709 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.5 | -37.9 | -179.3 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | M1 A7 | M1-V3 PolarHBondContact O-N 2.83Å; V3-A7 WeakPolarHBondContact O-CB 3.18Å; V3-A7 PolarHBondContact O-N 3.39Å |
| 4 | L | 75.9 | Confident | 74.4 | Confident | 137 Ų | 137 | 111.6 Ų | 111.6 | 72% | 0.717 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.6 | -36.4 | 177.1 | -69.6 | 174.8 | 0 | 0 | 0 | 111 | M1 D2 A7 L8 | M1-L4 PolarHBondContact O-N 2.7Å; D2-L4 PolarHBondContact O-N 3.3Å; L4-A7 PolarHBondContact O-N 3.48Å; L4-L8 WeakPolarHBondContact O-CB 3.46Å; L4-L8 PolarHBondContact O-N 2.67Å |
| 5 | F | 72.9 | Confident | 73.9 | Confident | 139 Ų | 139 | 114.2 Ų | 114.2 | 61% | 0.61 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.4 | -43.2 | 176.2 | -166.8 | -102 | 0 | 0 | 0 | 111.6 | M1 D2 A7 L8 L9 | M1-F5 PolarHBondContact O-N 3.28Å; D2-F5 PolarHBondContact O-N 3.45Å; F5-A7 VanDerWaalsContact C-N 3.35Å; F5-A7 PolarHBondContact O-N 2.86Å; F5-L8 PolarHBondContact O-N 3.33Å; F5-L9 HydrophobicContact CD1-CD1 3.97Å; F5-L9 HydrophobicContact CE1-CD1 3.64Å; F5-L9 HydrophobicContact CE1-CG 4.42Å; F5-L9 HydrophobicContact CZ-CD1 4.34Å; F5-L9 WeakPolarHBondContact O-CG 3.48Å; F5-L9 PolarHBondContact O-N 3.11Å; F5-L9 VanDerWaalsContact O-N 3.13Å |
| 6 | I | 79.4 | Confident | 73.3 | Confident | 98 Ų | 98 | 111.1 Ų | 111.1 | 50% | 0.503 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.3 | -43.7 | 174.2 | -66.7 | 162.5 | 0 | 0 | 0 | 110.3 | D2 L8 L9 V10 | D2-I6 WeakPolarHBondContact O-CB 3.02Å; D2-I6 WeakPolarHBondContact O-CD1 3.45Å; D2-I6 WeakPolarHBondContact O-CG1 3.2Å; D2-I6 PolarHBondContact O-N 3.42Å; I6-L8 VanDerWaalsContact C-N 3.33Å; I6-L8 PolarHBondContact O-N 3.07Å; I6-L9 PolarHBondContact O-N 3.49Å; I6-V10 HydrophobicContact CG2-CG2 3.94Å; I6-V10 WeakPolarHBondContact O-CB 3.32Å; I6-V10 WeakPolarHBondContact O-CG2 3.5Å; I6-V10 PolarHBondContact O-N 2.69Å |
| 7 | A | 78.3 | Confident | 72.7 | Confident | 46 Ų | 46 | 110.9 Ų | 110.9 | 38% | 0.38 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.1 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V3 L4 F5 L9 V10 V11 | V3-A7 WeakPolarHBondContact O-CB 3.18Å; V3-A7 PolarHBondContact O-N 3.39Å; L4-A7 PolarHBondContact O-N 3.48Å; F5-A7 VanDerWaalsContact C-N 3.35Å; F5-A7 PolarHBondContact O-N 2.86Å; A7-L9 VanDerWaalsContact C-N 3.28Å; A7-L9 PolarHBondContact O-N 3.42Å; A7-V10 PolarHBondContact O-N 3.48Å; A7-V11 WeakPolarHBondContact O-CB 3.35Å; A7-V11 WeakPolarHBondContact O-CG2 3.23Å; A7-V11 PolarHBondContact O-N 3.49Å |
| 8 | L | 76.4 | Confident | 72.2 | Confident | 129 Ų | 129 | 114.3 Ų | 114.3 | 68% | 0.675 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.8 | -32.1 | 177 | -124.1 | 159.6 | 0 | 0 | 0 | 112.7 | L4 F5 I6 P12 | L4-L8 WeakPolarHBondContact O-CB 3.46Å; L4-L8 PolarHBondContact O-N 2.67Å; F5-L8 PolarHBondContact O-N 3.33Å; I6-L8 VanDerWaalsContact C-N 3.33Å; I6-L8 PolarHBondContact O-N 3.07Å; L8-P12 WeakPolarHBondContact O-CD 3.21Å; L8-P12 WeakPolarHBondContact O-CG 3.39Å |
| 9 | L | 75.5 | Confident | 71.5 | Confident | 108 Ų | 108 | 118.3 Ų | 118.3 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -82.8 | -37.4 | 176.8 | -67.1 | 177.3 | 0 | 0 | 0 | 113.1 | F5 I6 A7 | F5-L9 HydrophobicContact CD1-CD1 3.97Å; F5-L9 HydrophobicContact CE1-CD1 3.64Å; F5-L9 HydrophobicContact CE1-CG 4.42Å; F5-L9 HydrophobicContact CZ-CD1 4.34Å; F5-L9 WeakPolarHBondContact O-CG 3.48Å; F5-L9 PolarHBondContact O-N 3.11Å; F5-L9 VanDerWaalsContact O-N 3.13Å; I6-L9 PolarHBondContact O-N 3.49Å; A7-L9 VanDerWaalsContact C-N 3.28Å; A7-L9 PolarHBondContact O-N 3.42Å |
| 10 | V | 79.8 | Confident | 70.9 | Confident | 61 Ų | 61 | 121.2 Ų | 121.2 | 37% | 0.37 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -76.6 | -34.5 | -175 | 170.9 | 0 | 0 | 0 | 0 | 112 | I6 A7 L13 I14 | I6-V10 HydrophobicContact CG2-CG2 3.94Å; I6-V10 WeakPolarHBondContact O-CB 3.32Å; I6-V10 WeakPolarHBondContact O-CG2 3.5Å; I6-V10 PolarHBondContact O-N 2.69Å; A7-V10 PolarHBondContact O-N 3.48Å; V10-L13 PolarHBondContact O-N 2.91Å; V10-I14 HydrophobicContact CG1-CD1 3.43Å; V10-I14 VanDerWaalsContact CG1-CD1 3.43Å; V10-I14 HydrophobicContact CG1-CG1 4.11Å; V10-I14 WeakPolarHBondContact O-CG1 3.45Å; V10-I14 PolarHBondContact O-N 3.49Å |
| 11 | V | 77.1 | Confident | 70.6 | Confident | 89 Ų | 89 | 124.2 Ų | 124.2 | 54% | 0.539 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -63.6 | -49.2 | -176.2 | 168.3 | 0 | 0 | 0 | 0 | 112.6 | A7 L13 I14 L15 | A7-V11 WeakPolarHBondContact O-CB 3.35Å; A7-V11 WeakPolarHBondContact O-CG2 3.23Å; A7-V11 PolarHBondContact O-N 3.49Å; V11-L13 VanDerWaalsContact C-N 3.3Å; V11-L13 PolarHBondContact O-N 3.33Å; V11-I14 PolarHBondContact O-N 3.06Å; V11-L15 VanDerWaalsContact O-CB 3.3Å; V11-L15 WeakPolarHBondContact O-CB 3.45Å; V11-L15 PolarHBondContact O-N 2.94Å |
| 12 | P | 73.1 | Confident | 70.4 | Confident | 78 Ų | 78 | 123.6 Ų | 123.6 | 51% | 0.506 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66.9 | -31.2 | 174.9 | -20.1 | 33.3 | 0 | 0 | 0 | 113 | L8 I14 G16 | L8-P12 WeakPolarHBondContact O-CD 3.21Å; L8-P12 WeakPolarHBondContact O-CG 3.39Å; P12-I14 VanDerWaalsContact C-N 3.34Å; P12-I14 PolarHBondContact O-N 3.39Å; P12-G16 VanDerWaalsContact O-CA 3.3Å; P12-G16 WeakPolarHBondContact O-CA 3.47Å; P12-G16 PolarHBondContact O-N 2.81Å |
| 13 | L | 72.5 | Confident | 69.8 | Low | 112 Ų | 112 | 126 Ų | 126 | 59% | 0.586 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.4 | -36.4 | 179.4 | -173.2 | 68 | 0 | 0 | 0 | 112.1 | V10 V11 Q17 | V10-L13 PolarHBondContact O-N 2.91Å; V11-L13 VanDerWaalsContact C-N 3.3Å; V11-L13 PolarHBondContact O-N 3.33Å; L13-Q17 WeakPolarHBondContact O-CG 3.39Å |
| 14 | I | 71.6 | Confident | 68.9 | Low | 119 Ų | 119 | 129.4 Ų | 129.4 | 61% | 0.61 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -84 | -38.5 | 178.3 | -62.3 | 172.6 | 0 | 0 | 0 | 111.2 | V10 V11 P12 | V10-I14 HydrophobicContact CG1-CD1 3.43Å; V10-I14 VanDerWaalsContact CG1-CD1 3.43Å; V10-I14 HydrophobicContact CG1-CG1 4.11Å; V10-I14 WeakPolarHBondContact O-CG1 3.45Å; V10-I14 PolarHBondContact O-N 3.49Å; V11-I14 PolarHBondContact O-N 3.06Å; P12-I14 VanDerWaalsContact C-N 3.34Å; P12-I14 PolarHBondContact O-N 3.39Å |
| 15 | L | 66.7 | Low | 68.1 | Low | 150 Ų | 150 | 130.3 Ų | 130.3 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -95 | -17.8 | -170.6 | -137.3 | 74.5 | 0 | 0 | 0 | 114.1 | V11 | V11-L15 VanDerWaalsContact O-CB 3.3Å; V11-L15 WeakPolarHBondContact O-CB 3.45Å; V11-L15 PolarHBondContact O-N 2.94Å |
| 16 | G | 63.8 | Low | 67.3 | Low | 64 Ų | 64 | 132 Ų | 132 | 66% | 0.66 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -94.1 | 2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | P12 E18 | P12-G16 VanDerWaalsContact O-CA 3.3Å; P12-G16 WeakPolarHBondContact O-CA 3.47Å; P12-G16 PolarHBondContact O-N 2.81Å; G16-E18 VanDerWaalsContact C-N 3.32Å; G16-E18 PolarHBondContact O-N 3.49Å |
| 17 | Q | 64.1 | Low | 66.4 | Low | 108 Ų | 108 | 134.9 Ų | 134.9 | 51% | 0.505 | 69% | 0.686 | S | S | . | * | trans | -88.2 | 75.8 | 168.7 | -69.2 | -172.5 | -37.6 | 0 | 0 | 108.5 | L13 Y19 | L13-Q17 WeakPolarHBondContact O-CG 3.39Å; Q17-Y19 HydrophobicContact CB-CE2 4.43Å; Q17-Y19 PolarHBondContact O-N 2.81Å | ||
| 18 | E | 62.6 | Low | 65.5 | Low | 173 Ų | 173 | 138.8 Ų | 138.8 | 81% | 0.808 | 70% | 0.7 | S | S | * | * | trans | -69.9 | 109.3 | 163 | -165.9 | 165.6 | -157.3 | 0 | 0 | 106.5 | G16 E20 | G16-E18 VanDerWaalsContact C-N 3.32Å; G16-E18 PolarHBondContact O-N 3.49Å; E18-E20 PolarHBondContact O-N 2.8Å; E18-E20 VanDerWaalsContact O-N 3.15Å | ||
| 19 | Y | 59.9 | Low | 64.4 | Low | 189 Ų | 189 | 139.6 Ų | 139.6 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | trans | -74 | 99.9 | 170.4 | -67 | -89.1 | 0 | 0 | 0 | 106.2 | Q17 E21 | Q17-Y19 HydrophobicContact CB-CE2 4.43Å; Q17-Y19 PolarHBondContact O-N 2.81Å; Y19-E21 PolarHBondContact O-N 3.48Å | ||
| 20 | E | 59.7 | Low | 63.5 | Low | 177 Ų | 177 | 144.1 Ų | 144.1 | 83% | 0.827 | 72% | 0.716 | S | S | * | * | trans | -62.4 | 107.8 | 159.7 | -69.6 | -172.3 | 177.7 | 0 | 0 | 105.8 | E18 E22 | E18-E20 PolarHBondContact O-N 2.8Å; E18-E20 VanDerWaalsContact O-N 3.15Å; E20-E22 PolarHBondContact O-N 3.28Å | ||
| 21 | E | 64 | Low | 62.6 | Low | 184 Ų | 184 | 151.4 Ų | 151.4 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | trans | -49.2 | 128.8 | 170.7 | -72 | 178.4 | 158.2 | 0 | 0 | 107.5 | Y19 E23 | Y19-E21 PolarHBondContact O-N 3.48Å; E21-E23 PolarHBondContact O-N 2.79Å | ||
| 22 | E | 59.3 | Low | 61.8 | Low | 193 Ų | 193 | 156.5 Ų | 156.5 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | trans | -48.8 | 101.1 | -178.5 | -66.1 | 172.7 | 172.9 | 0 | 0 | 110 | E20 E24 | E20-E22 PolarHBondContact O-N 3.28Å; E22-E24 VanDerWaalsContact C-N 3.34Å; E22-E24 PolarHBondContact O-N 3.29Å | ||
| 23 | E | 58.8 | Low | 61.2 | Low | 176 Ų | 176 | 156.8 Ų | 156.8 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | -67.7 | 102.4 | 161.3 | -77.4 | -164.3 | 171.2 | 0 | 0 | 106.1 | E21 L25 | E21-E23 PolarHBondContact O-N 2.79Å; E23-L25 PolarHBondContact O-N 3.45Å | ||
| 24 | E | 56.8 | Low | 60.7 | Low | 187 Ų | 187 | 154.5 Ų | 154.5 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | -48 | 98.9 | 169.5 | -172 | 171.8 | -163.7 | 0 | 0 | 108.5 | E22 E26 | E22-E24 VanDerWaalsContact C-N 3.34Å; E22-E24 PolarHBondContact O-N 3.29Å; E24-E26 PolarHBondContact O-N 3.29Å | ||
| 25 | L | 58.3 | Low | 59.8 | Low | 157 Ų | 157 | 157.3 Ų | 157.3 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -65.3 | 104.1 | -179.7 | -66.4 | 177.8 | 0 | 0 | 0 | 108.3 | E23 E27 | E23-L25 PolarHBondContact O-N 3.45Å; L25-E27 PolarHBondContact O-N 3.33Å | ||
| 26 | E | 56.3 | Low | 59.1 | Low | 173 Ų | 173 | 159.4 Ų | 159.4 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | trans | -54.5 | 110.4 | 168.9 | -158.1 | 169.2 | -154.8 | 0 | 0 | 107.8 | E24 D28 | E24-E26 PolarHBondContact O-N 3.29Å; E26-D28 PolarHBondContact O-N 3.44Å | ||
| 27 | E | 60.2 | Low | 58.8 | Low | 160 Ų | 160 | 165.8 Ų | 165.8 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -66.9 | 81.2 | 174.7 | -80.7 | -173.9 | 155.8 | 0 | 0 | 109.1 | L25 | L25-E27 PolarHBondContact O-N 3.33Š| ||
| 28 | D | 58.8 | Low | 58.5 | Low | 128 Ų | 128 | 170.2 Ų | 170.2 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | trans | -134.9 | 128.1 | 165.7 | -85.6 | -40 | 0 | 0 | 0 | 111.7 | E26 | E26-D28 PolarHBondContact O-N 3.44Š| ||
| 29 | D | 54 | Low | 58.2 | Low | 146 Ų | 146 | 167.4 Ų | 167.4 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | 90 | 62.1 | 169.7 | -51.7 | -27.5 | 0 | 0 | 0 | 117.8 | Y31 | D29-Y31 PolarHBondContact O-N 2.98Š| ||
| 30 | Y | 57.4 | Low | 58.4 | Low | 203 Ų | 203 | 163.4 Ų | 163.4 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | -45.4 | 112.3 | 152.7 | -81 | -86.6 | 0 | 0 | 0 | 111.6 | Q32 | Y30-Q32 PolarHBondContact O-N 2.63Š| ||
| 31 | Y | 60.2 | Low | 58.4 | Low | 214 Ų | 214 | 160.9 Ų | 160.9 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | -33.9 | 114.1 | 169.9 | -77.9 | -94 | 0 | 0 | 0 | 114.6 | D29 V33 | D29-Y31 PolarHBondContact O-N 2.98Å; Y31-V33 HydrophobicContact CD1-CG2 3.78Å | ||
| 32 | Q | 60.5 | Low | 58 | Low | 196 Ų | 196 | 155.7 Ų | 155.7 | 92% | 0.916 | 74% | 0.743 | S | S | * | * | trans | -102.3 | 80.9 | 154.3 | -165 | 166.3 | 72 | 0 | 0 | 109.1 | Y30 A34 | Y30-Q32 PolarHBondContact O-N 2.63Å; Q32-A34 PolarHBondContact O-N 3.08Å | ||
| 33 | V | 59.3 | Low | 58.1 | Low | 84 Ų | 84 | 152.1 Ų | 152.1 | 51% | 0.509 | 73% | 0.73 | S | S | . | * | trans | -73.9 | 93.9 | 169.6 | 179.6 | 0 | 0 | 0 | 0 | 108 | Y31 Y35 | Y31-V33 HydrophobicContact CD1-CG2 3.78Å; V33-Y35 HydrophobicContact CB-CE2 4.28Å; V33-Y35 HydrophobicContact CG1-CD2 3.89Å; V33-Y35 HydrophobicContact CG1-CE1 4.45Å; V33-Y35 HydrophobicContact CG1-CE2 3.66Å; V33-Y35 HydrophobicContact CG1-CG 4.38Å; V33-Y35 PolarHBondContact O-N 2.91Å | ||
| 34 | A | 62.3 | Low | 58 | Low | 63 Ų | 63 | 153.3 Ų | 153.3 | 52% | 0.521 | 73% | 0.729 | S | S | . | * | trans | -68.7 | 98.8 | 167 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q32 Y36 | Q32-A34 PolarHBondContact O-N 3.08Å; A34-Y36 HydrophobicContact CB-CD2 3.86Å; A34-Y36 HydrophobicContact CB-CE2 3.65Å; A34-Y36 PolarHBondContact O-N 3.02Å | ||
| 35 | Y | 52.2 | Low | 58.1 | Low | 178 Ų | 178 | 151.1 Ų | 151.1 | 70% | 0.698 | 72% | 0.723 | S | S | * | * | trans | -68.7 | 80 | 167 | -76.1 | -85.1 | 0 | 0 | 0 | 109.3 | V33 Y37 | V33-Y35 HydrophobicContact CB-CE2 4.28Å; V33-Y35 HydrophobicContact CG1-CD2 3.89Å; V33-Y35 HydrophobicContact CG1-CE1 4.45Å; V33-Y35 HydrophobicContact CG1-CE2 3.66Å; V33-Y35 HydrophobicContact CG1-CG 4.38Å; V33-Y35 PolarHBondContact O-N 2.91Å; Y35-Y37 VanDerWaalsContact C-N 3.3Å; Y35-Y37 WeakPolarHBondContact O-CD2 3.4Å; Y35-Y37 PolarHBondContact O-N 2.94Å | ||
| 36 | Y | 53.2 | Low | 58.2 | Low | 195 Ų | 195 | 151.2 Ų | 151.2 | 77% | 0.765 | 72% | 0.719 | S | S | * | * | trans | -67.3 | 96.9 | 161.6 | -75.1 | -80.9 | 0 | 0 | 0 | 107.2 | A34 Y38 | A34-Y36 HydrophobicContact CB-CD2 3.86Å; A34-Y36 HydrophobicContact CB-CE2 3.65Å; A34-Y36 PolarHBondContact O-N 3.02Å; Y36-Y38 PolarHBondContact O-N 3.47Å | ||
| 37 | Y | 57.8 | Low | 58.5 | Low | 197 Ų | 197 | 151.5 Ų | 151.5 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | trans | -64.3 | 77.2 | 163.8 | -72.5 | -87.8 | 0 | 0 | 0 | 108.3 | Y35 T39 | Y35-Y37 VanDerWaalsContact C-N 3.3Å; Y35-Y37 WeakPolarHBondContact O-CD2 3.4Å; Y35-Y37 PolarHBondContact O-N 2.94Å; Y37-T39 PolarHBondContact O-N 3.46Å | ||
| 38 | Y | 57.2 | Low | 58.7 | Low | 202 Ų | 202 | 148.7 Ų | 148.7 | 79% | 0.792 | 72% | 0.716 | S | S | * | * | trans | -69.4 | 82.9 | 164.2 | -114.1 | -87.1 | 0 | 0 | 0 | 106.4 | Y36 V40 | Y36-Y38 PolarHBondContact O-N 3.47Å; Y38-V40 HydrophobicContact CD1-CG2 4.19Å; Y38-V40 PolarHBondContact O-N 2.97Å | ||
| 39 | T | 56.6 | Low | 59.1 | Low | 113 Ų | 113 | 146.3 Ų | 146.3 | 69% | 0.693 | 71% | 0.714 | S | S | * | * | trans | -69.6 | 82.2 | 164.6 | 56.9 | 0 | 0 | 0 | 0 | 106.2 | Y37 T41 | Y37-T39 PolarHBondContact O-N 3.46Å; T39-T41 PolarHBondContact O-N 3.22Å | ||
| 40 | V | 63.3 | Low | 60.1 | Low | 105 Ų | 105 | 146.7 Ų | 146.7 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | trans | -64.1 | 95.4 | 164.6 | -179.8 | 0 | 0 | 0 | 0 | 104.8 | Y38 T42 | Y38-V40 HydrophobicContact CD1-CG2 4.19Å; Y38-V40 PolarHBondContact O-N 2.97Å; V40-T42 HydrophobicContact CG1-CG2 4.38Å; V40-T42 PolarHBondContact O-N 2.84Å | ||
| 41 | T | 59.4 | Low | 60.7 | Low | 124 Ų | 124 | 145.1 Ų | 145.1 | 76% | 0.761 | 71% | 0.714 | S | S | * | * | trans | -63.6 | 93.1 | 167.6 | -58.3 | 0 | 0 | 0 | 0 | 105.9 | T39 N43 | T39-T41 PolarHBondContact O-N 3.22Å; T41-N43 PolarHBondContact O-N 3.18Å | ||
| 42 | T | 56.8 | Low | 61.6 | Low | 76 Ų | 76 | 141.5 Ų | 141.5 | 47% | 0.466 | 71% | 0.714 | S | S | . | * | trans | -60.2 | 108.4 | 174.6 | 48.2 | 0 | 0 | 0 | 0 | 107.1 | V40 Y44 | V40-T42 HydrophobicContact CG1-CG2 4.38Å; V40-T42 PolarHBondContact O-N 2.84Å; T42-Y44 VanDerWaalsContact O-CD2 3.23Å; T42-Y44 WeakPolarHBondContact O-CD2 3.35Å; T42-Y44 PolarHBondContact O-N 3.02Å; T42-Y44 WeakPolarHBondContact OG1-CE2 3.33Å; T42-Y44 VanDerWaalsContact OG1-CZ 3.31Å; T42-Y44 PolarHBondContact OG1-OH 3.43Å | ||
| 43 | N | 59.9 | Low | 62.5 | Low | 117 Ų | 117 | 135.2 Ų | 135.2 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | trans | -73 | 98.2 | 173 | -169.9 | -57.9 | 0 | 0 | 0 | 106.9 | T41 D45 | T41-N43 PolarHBondContact O-N 3.18Å; N43-D45 PolarHBondContact O-N 2.96Å; N43-D45 VanDerWaalsContact O-N 3.16Å; N43-D45 WeakPolarHBondContact OD1-CB 3.33Å; N43-D45 PolarHBondContact OD1-N 3.14Å; N43-D45 VanDerWaalsContact OD1-N 3.09Å | ||
| 44 | Y | 57.8 | Low | 63.7 | Low | 202 Ų | 202 | 136.3 Ų | 136.3 | 79% | 0.792 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 4.4 | 179.1 | -71.2 | -81.9 | 0 | 0 | 0 | 113.2 | T42 | T42-Y44 VanDerWaalsContact O-CD2 3.23Å; T42-Y44 WeakPolarHBondContact O-CD2 3.35Å; T42-Y44 PolarHBondContact O-N 3.02Å; T42-Y44 WeakPolarHBondContact OG1-CE2 3.33Å; T42-Y44 VanDerWaalsContact OG1-CZ 3.31Å; T42-Y44 PolarHBondContact OG1-OH 3.43Å |
| 45 | D | 59.1 | Low | 64.7 | Low | 140 Ų | 140 | 141 Ų | 141 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -17 | -175.1 | -149.6 | 18.8 | 0 | 0 | 0 | 112.7 | N43 F47 | N43-D45 PolarHBondContact O-N 2.96Å; N43-D45 VanDerWaalsContact O-N 3.16Å; N43-D45 WeakPolarHBondContact OD1-CB 3.33Å; N43-D45 PolarHBondContact OD1-N 3.14Å; N43-D45 VanDerWaalsContact OD1-N 3.09Å; D45-F47 PolarHBondContact O-N 2.95Å |
| 46 | E | 60.2 | Low | 66.2 | Low | 160 Ų | 160 | 135.6 Ų | 135.6 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -80 | -15.4 | -173.9 | -165.8 | 163.1 | -166.3 | 0 | 0 | 113.9 | ||
| 47 | F | 61.3 | Low | 67.6 | Low | 178 Ų | 178 | 132.7 Ų | 132.7 | 78% | 0.781 | 68% | 0.68 | S | S | * | * | trans | -127.2 | 76.5 | 175.2 | -70.5 | -83.2 | 0 | 0 | 0 | 110.8 | D45 A49 | D45-F47 PolarHBondContact O-N 2.95Å; F47-A49 PolarHBondContact O-N 3.3Å | ||
| 48 | S | 64.9 | Low | 68.9 | Low | 101 Ų | 101 | 128.1 Ų | 128.1 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | trans | -69.6 | 70.4 | 160.9 | 52.7 | 0 | 0 | 0 | 0 | 110 | N50 | S48-N50 PolarHBondContact O-N 3.43Š| ||
| 49 | A | 67.6 | Low | 70.2 | Confident | 78 Ų | 78 | 124 Ų | 124 | 65% | 0.645 | 65% | 0.652 | S | S | * | * | trans | -73.2 | 97.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | F47 F51 | F47-A49 PolarHBondContact O-N 3.3Å; A49-F51 VanDerWaalsContact C-N 3.32Å; A49-F51 PolarHBondContact O-N 2.97Å | ||
| 50 | N | 74.4 | Confident | 71.5 | Confident | 154 Ų | 154 | 122.5 Ų | 122.5 | 82% | 0.824 | 65% | 0.647 | S | S | * | * | trans | -69.1 | 91 | 168.9 | -70.7 | -38.3 | 0 | 0 | 0 | 108.7 | S48 | S48-N50 PolarHBondContact O-N 3.43Š| ||
| 51 | F | 70.1 | Confident | 72.6 | Confident | 171 Ų | 171 | 124 Ų | 124 | 75% | 0.75 | 65% | 0.647 | S | S | * | * | trans | -82.4 | 123.1 | 169.9 | 66.1 | -86.4 | 0 | 0 | 0 | 108.6 | A49 V53 | A49-F51 VanDerWaalsContact C-N 3.32Å; A49-F51 PolarHBondContact O-N 2.97Å; F51-V53 HydrophobicContact CD2-CG2 3.62Å; F51-V53 HydrophobicContact CE2-CG2 3.64Å | ||
| 52 | T | 79.9 | Confident | 73.9 | Confident | 137 Ų | 137 | 122.9 Ų | 122.9 | 84% | 0.84 | 64% | 0.636 | S | S | * | * | trans | -91.6 | 117.6 | 169.9 | -58.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 53 | V | 80 | Confident | 75.4 | Confident | 65 Ų | 65 | 126.3 Ų | 126.3 | 39% | 0.394 | 64% | 0.641 | S | S | . | * | trans | -83.6 | 115.9 | 172.6 | -177 | 0 | 0 | 0 | 0 | 107.5 | F51 Y55 | F51-V53 HydrophobicContact CD2-CG2 3.62Å; F51-V53 HydrophobicContact CE2-CG2 3.64Å; V53-Y55 HydrophobicContact CB-CD2 4.37Å; V53-Y55 HydrophobicContact CB-CE2 3.75Å; V53-Y55 HydrophobicContact CG1-CD1 4.35Å; V53-Y55 HydrophobicContact CG1-CD2 4.15Å; V53-Y55 HydrophobicContact CG1-CE1 3.95Å; V53-Y55 HydrophobicContact CG1-CE2 3.73Å; V53-Y55 HydrophobicContact CG1-CG 4.45Å; V53-Y55 WeakPolarHBondContact O-CD2 3.48Å | ||
| 54 | D | 84.3 | Confident | 76.8 | Confident | 107 Ų | 107 | 126 Ų | 126 | 57% | 0.572 | 64% | 0.638 | S | S | * | * | trans | -81.9 | 114.6 | 170.6 | -177.2 | 11.3 | 0 | 0 | 0 | 109.3 | S56 | D54-S56 VanDerWaalsContact C-N 3.33Å; D54-S56 WeakPolarHBondContact OD1-CB 3.16Å; D54-S56 PolarHBondContact OD1-N 3.45Å; D54-S56 PolarHBondContact OD1-OG 2.88Å; D54-S56 VanDerWaalsContact OD1-OG 3.04Å; D54-S56 PolarHBondContact OD2-OG 3.27Å | ||
| 55 | Y | 82.7 | Confident | 78 | Confident | 162 Ų | 162 | 121 Ų | 121 | 64% | 0.635 | 63% | 0.625 | S | S | * | * | trans | -88.9 | 2 | 178.9 | -68 | -86.2 | 0 | 0 | 0 | 113.1 | V53 M57 F58 E59 | V53-Y55 HydrophobicContact CB-CD2 4.37Å; V53-Y55 HydrophobicContact CB-CE2 3.75Å; V53-Y55 HydrophobicContact CG1-CD1 4.35Å; V53-Y55 HydrophobicContact CG1-CD2 4.15Å; V53-Y55 HydrophobicContact CG1-CE1 3.95Å; V53-Y55 HydrophobicContact CG1-CE2 3.73Å; V53-Y55 HydrophobicContact CG1-CG 4.45Å; V53-Y55 WeakPolarHBondContact O-CD2 3.48Å; Y55-M57 PolarHBondContact O-N 2.94Å; Y55-F58 HydrophobicContact CD1-CD2 4.17Å; Y55-F58 PolarHBondContact O-N 3.42Å; Y55-E59 PolarHBondContact O-N 3.5Å | ||
| 56 | S | 84.8 | Confident | 79.3 | Confident | 64 Ų | 64 | 121.8 Ų | 121.8 | 45% | 0.448 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -55.4 | -35.1 | -178.5 | 67.2 | 0 | 0 | 0 | 0 | 113.2 | D54 F58 E59 | D54-S56 VanDerWaalsContact C-N 3.33Å; D54-S56 WeakPolarHBondContact OD1-CB 3.16Å; D54-S56 PolarHBondContact OD1-N 3.45Å; D54-S56 PolarHBondContact OD1-OG 2.88Å; D54-S56 VanDerWaalsContact OD1-OG 3.04Å; D54-S56 PolarHBondContact OD2-OG 3.27Å; S56-F58 PolarHBondContact O-N 2.94Å; S56-E59 WeakPolarHBondContact O-CB 3.33Å; S56-E59 PolarHBondContact O-N 3.43Å |
| 57 | M | 82.6 | Confident | 80.6 | Confident | 133 Ų | 133 | 118.7 Ų | 118.7 | 66% | 0.655 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.3 | -26.5 | 178.2 | 66.7 | -171.4 | -66.5 | 0 | 0 | 113.4 | Y55 | Y55-M57 PolarHBondContact O-N 2.94Å |
| 58 | F | 84.8 | Confident | 81.5 | Confident | 101 Ų | 101 | 116 Ų | 116 | 44% | 0.443 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -93 | -12.7 | 179.9 | -55.9 | -76.2 | 0 | 0 | 0 | 113.1 | Y55 S56 S60 E61 D62 | Y55-F58 HydrophobicContact CD1-CD2 4.17Å; Y55-F58 PolarHBondContact O-N 3.42Å; S56-F58 PolarHBondContact O-N 2.94Å; F58-S60 VanDerWaalsContact C-N 3.25Å; F58-S60 PolarHBondContact O-N 3.28Å; F58-E61 PolarHBondContact O-N 3.45Å; F58-D62 PolarHBondContact O-N 3.3Å |
| 59 | E | 84.4 | Confident | 82.2 | Confident | 115 Ų | 115 | 118.4 Ų | 118.4 | 54% | 0.537 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.3 | -36.5 | -179 | -169.8 | -173.2 | 172.4 | 0 | 0 | 111.7 | Y55 S56 R63 | Y55-E59 PolarHBondContact O-N 3.5Å; S56-E59 WeakPolarHBondContact O-CB 3.33Å; S56-E59 PolarHBondContact O-N 3.43Å; E59-R63 WeakPolarHBondContact O-CB 3.42Å; E59-R63 WeakPolarHBondContact O-CG 3.42Å; E59-R63 PolarHBondContact O-N 3.13Å |
| 60 | S | 82.5 | Confident | 82.6 | Confident | 83 Ų | 83 | 120 Ų | 120 | 58% | 0.58 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67 | -37.9 | 177.8 | 67.5 | 0 | 0 | 0 | 0 | 112.9 | F58 L64 | F58-S60 VanDerWaalsContact C-N 3.25Å; F58-S60 PolarHBondContact O-N 3.28Å; S60-L64 WeakPolarHBondContact O-CB 3.47Å; S60-L64 PolarHBondContact O-N 2.96Å |
| 61 | E | 86.3 | Confident | 82.4 | Confident | 137 Ų | 137 | 116.3 Ų | 116.3 | 64% | 0.64 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.7 | -42.5 | 176.9 | -172.9 | 173.9 | 97.3 | 0 | 0 | 110.9 | F58 R63 L64 N65 | F58-E61 PolarHBondContact O-N 3.45Å; E61-R63 VanDerWaalsContact C-N 3.35Å; E61-R63 PolarHBondContact O-N 3.28Å; E61-L64 PolarHBondContact O-N 3.16Å; E61-N65 WeakPolarHBondContact O-CB 3.35Å; E61-N65 PolarHBondContact O-N 3Å |
| 62 | D | 87.1 | Confident | 82.2 | Confident | 100 Ų | 100 | 111.9 Ų | 111.9 | 54% | 0.535 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.8 | -43.1 | 175.7 | -174.4 | 61.4 | 0 | 0 | 0 | 111.7 | F58 N65 R66 | F58-D62 PolarHBondContact O-N 3.3Å; D62-N65 PolarHBondContact O-N 2.98Å; D62-R66 WeakPolarHBondContact O-CB 3.19Å; D62-R66 PolarHBondContact O-N 2.96Å |
| 63 | R | 89.1 | Confident | 81.4 | Confident | 147 Ų | 147 | 108.5 Ų | 108.5 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.3 | -40.2 | 174.7 | -73.3 | 173.3 | 63.6 | -172 | -1.6 | 112.3 | E59 E61 L67 | E59-R63 WeakPolarHBondContact O-CB 3.42Å; E59-R63 WeakPolarHBondContact O-CG 3.42Å; E59-R63 PolarHBondContact O-N 3.13Å; E61-R63 VanDerWaalsContact C-N 3.35Å; E61-R63 PolarHBondContact O-N 3.28Å; R63-L67 WeakPolarHBondContact O-CB 3.45Å; R63-L67 PolarHBondContact O-N 3.34Å |
| 64 | L | 88.4 | Confident | 80.4 | Confident | 110 Ų | 110 | 111 Ų | 111 | 58% | 0.576 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.5 | -45.6 | 177 | -178.7 | 64.3 | 0 | 0 | 0 | 111 | S60 E61 R66 L67 E68 | S60-L64 WeakPolarHBondContact O-CB 3.47Å; S60-L64 PolarHBondContact O-N 2.96Å; E61-L64 PolarHBondContact O-N 3.16Å; L64-R66 VanDerWaalsContact C-N 3.32Å; L64-R66 PolarHBondContact O-N 3.23Å; L64-L67 WeakPolarHBondContact O-CB 3.35Å; L64-L67 PolarHBondContact O-N 3.06Å; L64-L67 VanDerWaalsContact O-N 3.14Å; L64-E68 WeakPolarHBondContact O-CB 3.27Å; L64-E68 PolarHBondContact O-N 2.69Å |
| 65 | N | 83.4 | Confident | 79.2 | Confident | 97 Ų | 97 | 108.4 Ų | 108.4 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 177.6 | -174.4 | 29.5 | 0 | 0 | 0 | 111.6 | E61 D62 E68 K69 | E61-N65 WeakPolarHBondContact O-CB 3.35Å; E61-N65 PolarHBondContact O-N 3Å; D62-N65 PolarHBondContact O-N 2.98Å; N65-E68 PolarHBondContact O-N 2.99Å; N65-K69 WeakPolarHBondContact O-CB 3.46Å; N65-K69 PolarHBondContact O-N 3.28Å |
| 66 | R | 87.2 | Confident | 77.9 | Confident | 158 Ų | 158 | 104.3 Ų | 104.3 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.6 | -44.2 | 172.8 | -169.9 | 176.5 | 73.8 | -161.9 | 2.6 | 111.9 | D62 L64 K69 E70 | D62-R66 WeakPolarHBondContact O-CB 3.19Å; D62-R66 PolarHBondContact O-N 2.96Å; L64-R66 VanDerWaalsContact C-N 3.32Å; L64-R66 PolarHBondContact O-N 3.23Å; R66-K69 PolarHBondContact O-N 3.08Å; R66-E70 WeakPolarHBondContact O-CB 3.19Å; R66-E70 PolarHBondContact O-N 2.99Å |
| 67 | L | 86.3 | Confident | 76.3 | Confident | 94 Ų | 94 | 108.3 Ų | 108.3 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 178.6 | -176 | 66.5 | 0 | 0 | 0 | 111.6 | R63 L64 K69 E70 V71 | R63-L67 WeakPolarHBondContact O-CB 3.45Å; R63-L67 PolarHBondContact O-N 3.34Å; L64-L67 WeakPolarHBondContact O-CB 3.35Å; L64-L67 PolarHBondContact O-N 3.06Å; L64-L67 VanDerWaalsContact O-N 3.14Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.43Å; L67-E70 PolarHBondContact O-N 3.39Å; L67-V71 HydrophobicContact CD1-CG2 4.11Å; L67-V71 HydrophobicContact CG-CG2 4.19Å; L67-V71 VanDerWaalsContact O-CB 3.32Å; L67-V71 WeakPolarHBondContact O-CB 3.41Å; L67-V71 WeakPolarHBondContact O-CG2 3.43Å; L67-V71 PolarHBondContact O-N 3.25Å |
| 68 | E | 80.8 | Confident | 75 | Confident | 121 Ų | 121 | 107.4 Ų | 107.4 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.9 | -44.3 | 176.9 | -178.9 | 177.5 | -168.2 | 0 | 0 | 111.3 | L64 N65 T72 | L64-E68 WeakPolarHBondContact O-CB 3.27Å; L64-E68 PolarHBondContact O-N 2.69Å; N65-E68 PolarHBondContact O-N 2.99Å; E68-T72 VanDerWaalsContact O-CB 3.23Å; E68-T72 WeakPolarHBondContact O-CB 3.3Å; E68-T72 PolarHBondContact O-N 3.04Å; E68-T72 PolarHBondContact O-OG1 2.89Å |
| 69 | K | 80.4 | Confident | 73.3 | Confident | 152 Ų | 152 | 108.1 Ų | 108.1 | 66% | 0.661 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.3 | -44.2 | 175.2 | -175.6 | 179.2 | 177.7 | -178.4 | 0 | 111.9 | N65 R66 L67 T72 T73 | N65-K69 WeakPolarHBondContact O-CB 3.46Å; N65-K69 PolarHBondContact O-N 3.28Å; R66-K69 PolarHBondContact O-N 3.08Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.43Å; K69-T72 PolarHBondContact O-N 2.72Å; K69-T73 WeakPolarHBondContact O-CB 3.15Å; K69-T73 PolarHBondContact O-N 3.22Å; K69-T73 PolarHBondContact O-OG1 3.01Å |
| 70 | E | 74.4 | Confident | 71.6 | Confident | 111 Ų | 111 | 107.4 Ų | 107.4 | 52% | 0.519 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.1 | -48.5 | 178.3 | -174.8 | 173.2 | -178.9 | 0 | 0 | 111.4 | R66 L67 T72 T73 E74 | R66-E70 WeakPolarHBondContact O-CB 3.19Å; R66-E70 PolarHBondContact O-N 2.99Å; L67-E70 PolarHBondContact O-N 3.39Å; E70-T72 VanDerWaalsContact C-N 3.33Å; E70-T72 PolarHBondContact O-N 2.91Å; E70-T73 CarbonylContact O-C 3.58Å; E70-T73 PolarHBondContact O-N 3.43Å; E70-T73 VanDerWaalsContact O-N 3.08Å; E70-E74 WeakPolarHBondContact O-CB 3.3Å; E70-E74 PolarHBondContact O-N 3.44Å |
| 71 | V | 71.1 | Confident | 70 | Confident | 78 Ų | 78 | 109.3 Ų | 109.3 | 47% | 0.473 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.1 | -41.6 | 176.3 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | L67 T73 E74 A75 | L67-V71 HydrophobicContact CD1-CG2 4.11Å; L67-V71 HydrophobicContact CG-CG2 4.19Å; L67-V71 VanDerWaalsContact O-CB 3.32Å; L67-V71 WeakPolarHBondContact O-CB 3.41Å; L67-V71 WeakPolarHBondContact O-CG2 3.43Å; L67-V71 PolarHBondContact O-N 3.25Å; V71-T73 VanDerWaalsContact C-N 3.31Å; V71-T73 PolarHBondContact O-N 3.42Å; V71-E74 PolarHBondContact O-N 3.21Å; V71-A75 WeakPolarHBondContact O-CB 3.03Å; V71-A75 PolarHBondContact O-N 3.17Å |
| 72 | T | 66.3 | Low | 67.9 | Low | 77 Ų | 77 | 108.8 Ų | 108.8 | 47% | 0.472 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64 | -39.6 | 175.3 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | E68 K69 E70 V76 | E68-T72 VanDerWaalsContact O-CB 3.23Å; E68-T72 WeakPolarHBondContact O-CB 3.3Å; E68-T72 PolarHBondContact O-N 3.04Å; E68-T72 PolarHBondContact O-OG1 2.89Å; K69-T72 PolarHBondContact O-N 2.72Å; E70-T72 VanDerWaalsContact C-N 3.33Å; E70-T72 PolarHBondContact O-N 2.91Å; T72-V76 HydrophobicContact CG2-CG2 4.46Å; T72-V76 WeakPolarHBondContact O-CB 3.39Å; T72-V76 WeakPolarHBondContact O-CG2 3.44Å; T72-V76 PolarHBondContact O-N 3.47Å |
| 73 | T | 62.9 | Low | 66 | Low | 66 Ų | 66 | 113.3 Ų | 113.3 | 41% | 0.405 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.4 | -42.9 | 178.7 | -48.2 | 0 | 0 | 0 | 0 | 111.4 | K69 E70 V71 V76 E77 | K69-T73 WeakPolarHBondContact O-CB 3.15Å; K69-T73 PolarHBondContact O-N 3.22Å; K69-T73 PolarHBondContact O-OG1 3.01Å; E70-T73 CarbonylContact O-C 3.58Å; E70-T73 PolarHBondContact O-N 3.43Å; E70-T73 VanDerWaalsContact O-N 3.08Å; V71-T73 VanDerWaalsContact C-N 3.31Å; V71-T73 PolarHBondContact O-N 3.42Å; T73-V76 PolarHBondContact O-N 2.98Å; T73-E77 WeakPolarHBondContact O-CB 3.35Å; T73-E77 WeakPolarHBondContact O-CG 3.19Å; T73-E77 PolarHBondContact O-N 3.45Å |
| 74 | E | 59.5 | Low | 63.6 | Low | 119 Ų | 119 | 112.2 Ų | 112.2 | 56% | 0.556 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.2 | -41.5 | 178.7 | -170.3 | -173.1 | 153.4 | 0 | 0 | 112.1 | E70 V71 V76 E77 T78 | E70-E74 WeakPolarHBondContact O-CB 3.3Å; E70-E74 PolarHBondContact O-N 3.44Å; V71-E74 PolarHBondContact O-N 3.21Å; E74-V76 VanDerWaalsContact C-N 3.32Å; E74-V76 PolarHBondContact O-N 3.46Å; E74-E77 PolarHBondContact O-N 3.05Å; E74-T78 PolarHBondContact O-N 3.28Å; E74-T78 PolarHBondContact O-OG1 2.88Å |
| 75 | A | 57.8 | Low | 61.3 | Low | 51 Ų | 51 | 114.9 Ų | 114.9 | 42% | 0.421 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.3 | -32.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V71 T78 T79 | V71-A75 WeakPolarHBondContact O-CB 3.03Å; V71-A75 PolarHBondContact O-N 3.17Å; A75-T78 WeakPolarHBondContact CA-OG1 3.42Å; A75-T78 PolarHBondContact O-OG1 2.98Å; A75-T79 WeakPolarHBondContact O-CB 3.44Å; A75-T79 PolarHBondContact O-N 3.32Å; A75-T79 PolarHBondContact O-OG1 3.28Å |
| 76 | V | 54.9 | Low | 59.7 | Low | 76 Ų | 76 | 118 Ų | 118 | 46% | 0.461 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.9 | -42.5 | 173.7 | 167.6 | 0 | 0 | 0 | 0 | 110.9 | T72 T73 E74 T78 T79 I80 | T72-V76 HydrophobicContact CG2-CG2 4.46Å; T72-V76 WeakPolarHBondContact O-CB 3.39Å; T72-V76 WeakPolarHBondContact O-CG2 3.44Å; T72-V76 PolarHBondContact O-N 3.47Å; T73-V76 PolarHBondContact O-N 2.98Å; E74-V76 VanDerWaalsContact C-N 3.32Å; E74-V76 PolarHBondContact O-N 3.46Å; V76-T78 PolarHBondContact O-N 3.34Å; V76-T79 PolarHBondContact O-N 3.36Å; V76-I80 HydrophobicContact CG1-CD1 3.98Å; V76-I80 WeakPolarHBondContact O-CG1 3.34Å; V76-I80 PolarHBondContact O-N 3.14Å |
| 77 | E | 52.9 | Low | 57.5 | Low | 148 Ų | 148 | 114.6 Ų | 114.6 | 69% | 0.692 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66 | -36.1 | 177.5 | -78.3 | -175.4 | 172 | 0 | 0 | 112.6 | T73 E74 T79 | T73-E77 WeakPolarHBondContact O-CB 3.35Å; T73-E77 WeakPolarHBondContact O-CG 3.19Å; T73-E77 PolarHBondContact O-N 3.45Å; E74-E77 PolarHBondContact O-N 3.05Å; E77-T79 VanDerWaalsContact C-N 3.3Å; E77-T79 PolarHBondContact O-N 3.04Å |
| 78 | T | 54.3 | Low | 55.7 | Low | 114 Ų | 114 | 115.4 Ų | 115.4 | 70% | 0.699 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76 | -15.2 | 177 | 40.2 | 0 | 0 | 0 | 0 | 114.1 | E74 A75 V76 | E74-T78 PolarHBondContact O-N 3.28Å; E74-T78 PolarHBondContact O-OG1 2.88Å; A75-T78 WeakPolarHBondContact CA-OG1 3.42Å; A75-T78 PolarHBondContact O-OG1 2.98Å; V76-T78 PolarHBondContact O-N 3.34Å |
| 79 | T | 49.6 | Very low | 54.1 | Low | 116 Ų | 116 | 117.6 Ų | 117.6 | 71% | 0.712 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -105.1 | -20.1 | -178.5 | -50.2 | 0 | 0 | 0 | 0 | 113.2 | A75 V76 E77 | A75-T79 WeakPolarHBondContact O-CB 3.44Å; A75-T79 PolarHBondContact O-N 3.32Å; A75-T79 PolarHBondContact O-OG1 3.28Å; V76-T79 PolarHBondContact O-N 3.36Å; E77-T79 VanDerWaalsContact C-N 3.3Å; E77-T79 PolarHBondContact O-N 3.04Å |
| 80 | I | 48.4 | Very low | 52.6 | Low | 100 Ų | 100 | 117.6 Ų | 117.6 | 51% | 0.513 | 64% | 0.635 | S | S | . | * | trans | -119.2 | 70.4 | -170 | -49.1 | -177.2 | 0 | 0 | 0 | 111.5 | V76 L82 | V76-I80 HydrophobicContact CG1-CD1 3.98Å; V76-I80 WeakPolarHBondContact O-CG1 3.34Å; V76-I80 PolarHBondContact O-N 3.14Å; I80-L82 HydrophobicContact CG2-CB 3.99Å; I80-L82 PolarHBondContact O-N 3.49Å; I80-L82 VanDerWaalsContact O-N 3.11Å | ||
| 81 | S | 47.9 | Very low | 51.2 | Low | 123 Ų | 123 | 118.9 Ų | 118.9 | 86% | 0.86 | 65% | 0.645 | S | S | * | * | trans | -75.2 | 66.1 | 142.4 | 162.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 82 | L | 44 | Very low | 50 | Low | 127 Ų | 127 | 120.9 Ų | 120.9 | 67% | 0.665 | 66% | 0.66 | S | S | * | * | trans | -144.5 | 96.6 | 170.4 | -135 | 150.8 | 0 | 0 | 0 | 109.4 | I80 T84 | I80-L82 HydrophobicContact CG2-CB 3.99Å; I80-L82 PolarHBondContact O-N 3.49Å; I80-L82 VanDerWaalsContact O-N 3.11Å; L82-T84 PolarHBondContact O-N 2.78Å; L82-T84 PolarHBondContact O-OG1 3.43Å | ||
| 83 | H | 46.7 | Very low | 49.2 | Very low | 194 Ų | 194 | 123.2 Ų | 123.2 | 90% | 0.898 | 67% | 0.674 | S | S | * | * | trans | -41.1 | 105 | 168.6 | -153.9 | 69 | 0 | 0 | 0 | 109.9 | ||||
| 84 | T | 37.9 | Very low | 48.7 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 76% | 0.761 | 69% | 0.693 | S | S | * | * | trans | -137.6 | 111.5 | 166.3 | -42.5 | 0 | 0 | 0 | 0 | 109.2 | L82 | L82-T84 PolarHBondContact O-N 2.78Å; L82-T84 PolarHBondContact O-OG1 3.43Å | ||
| 85 | E | 41.4 | Very low | 48.5 | Very low | 166 Ų | 166 | 127 Ų | 127 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | -43.4 | 134.3 | 173.9 | -168.3 | 168.9 | 112.1 | 0 | 0 | 113 | V87 | E85-V87 PolarHBondContact O-N 3.28Å; E85-V87 VanDerWaalsContact O-N 3.08Å | ||
| 86 | L | 49.3 | Very low | 48.2 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 85% | 0.848 | 73% | 0.725 | S | S | * | * | trans | -66.3 | 100.2 | 177 | -165.8 | 165 | 0 | 0 | 0 | 109 | ||||
| 87 | V | 41.5 | Very low | 47.5 | Very low | 87 Ų | 87 | 137.8 Ų | 137.8 | 53% | 0.527 | 74% | 0.744 | S | S | . | * | trans | -96 | 108.5 | 171.4 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | E85 H89 | E85-V87 PolarHBondContact O-N 3.28Å; E85-V87 VanDerWaalsContact O-N 3.08Å; V87-H89 VanDerWaalsContact CG1-CE1 3.45Å; V87-H89 WeakPolarHBondContact CG1-CE1 3.49Å; V87-H89 PolarHBondContact O-N 3.04Å | ||
| 88 | D | 46.8 | Very low | 47.3 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 59% | 0.594 | 75% | 0.748 | S | S | * | * | trans | -64.4 | 108.1 | 167.8 | 176.7 | 31.4 | 0 | 0 | 0 | 109.8 | Q90 | D88-Q90 PolarHBondContact O-N 3.45Å; D88-Q90 PolarHBondContact OD1-NE2 2.96Å | ||
| 89 | H | 48.6 | Very low | 47.1 | Very low | 168 Ų | 168 | 137 Ų | 137 | 78% | 0.778 | 75% | 0.749 | S | S | * | * | trans | -97.2 | 69.3 | 176.6 | -77 | -54 | 0 | 0 | 0 | 111.2 | V87 | V87-H89 VanDerWaalsContact CG1-CE1 3.45Å; V87-H89 WeakPolarHBondContact CG1-CE1 3.49Å; V87-H89 PolarHBondContact O-N 3.04Å | ||
| 90 | Q | 48.8 | Very low | 46.8 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -97.4 | 19.3 | 174.4 | -100.7 | -172.3 | 94 | 0 | 0 | 115.4 | D88 | D88-Q90 PolarHBondContact O-N 3.45Å; D88-Q90 PolarHBondContact OD1-NE2 2.96Å | ||
| 91 | N | 45.4 | Very low | 46.4 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -159.6 | 119.6 | 168 | -109.5 | -56.6 | 0 | 0 | 0 | 113.1 | V93 | N91-V93 PolarHBondContact O-N 3.45Š| ||
| 92 | P | 45 | Very low | 45.9 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -77.6 | 110.9 | 170.4 | 29.7 | -29.7 | 0 | 0 | 0 | 110.1 | T94 | P92-T94 PolarHBondContact O-N 3.32Š| ||
| 93 | V | 49.8 | Very low | 45.3 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | trans | -81.4 | 112.4 | 171.2 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | N91 T95 | N91-V93 PolarHBondContact O-N 3.45Å; V93-T95 PolarHBondContact O-N 2.82Å; V93-T95 VanDerWaalsContact O-N 3.14Å | ||
| 94 | T | 52 | Low | 44.9 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | -56.7 | 109.7 | 172.4 | -56 | 0 | 0 | 0 | 0 | 111.2 | P92 | P92-T94 PolarHBondContact O-N 3.32Š| ||
| 95 | T | 55.5 | Low | 44.6 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -105.3 | 130.3 | 166.8 | 5.8 | 0 | 0 | 0 | 0 | 109.6 | V93 | V93-T95 PolarHBondContact O-N 2.82Å; V93-T95 VanDerWaalsContact O-N 3.14Å | ||
| 96 | R | 50.6 | Low | 44.3 | Very low | 224 Ų | 224 | 142 Ų | 142 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 144.9 | -176.4 | -62.6 | 179.3 | 174.6 | -166.2 | -2.9 | 110.6 | V98 | R96-V98 PolarHBondContact O-N 3.31Š|
| 97 | P | 42 | Very low | 43.4 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 84% | 0.844 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 128.8 | -179.6 | 27.4 | -32.3 | 0 | 0 | 0 | 111.2 | ||
| 98 | V | 47.4 | Very low | 43.1 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 123.9 | 171 | 168.7 | 0 | 0 | 0 | 0 | 108.8 | R96 T100 | R96-V98 PolarHBondContact O-N 3.31Å; V98-T100 PolarHBondContact O-N 3.04Å |
| 99 | T | 49.5 | Very low | 42.3 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 125.5 | 171.8 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | E101 | T99-E101 HydrophobicContact CG2-CG 4.27Š|
| 100 | T | 43.8 | Very low | 41.7 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -120.6 | 109.1 | 164.4 | 21.1 | 0 | 0 | 0 | 0 | 108.4 | V98 | V98-T100 PolarHBondContact O-N 3.04Š| ||
| 101 | E | 40.5 | Very low | 40.8 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 131.2 | 171.2 | -58.2 | -176.7 | 156 | 0 | 0 | 109.2 | T99 | T99-E101 HydrophobicContact CG2-CG 4.27Š|
| 102 | P | 37.5 | Very low | 40.1 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 116.2 | 171 | 30 | -28 | 0 | 0 | 0 | 110.6 | S104 | P102-S104 PolarHBondContact O-N 3.45Š|
| 103 | V | 31.9 | Very low | 39.5 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 116 | 165.9 | 167.8 | 0 | 0 | 0 | 0 | 108.7 | ||
| 104 | S | 37.5 | Very low | 38.9 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 133.5 | 170.6 | 48.5 | 0 | 0 | 0 | 0 | 110.7 | P102 | P102-S104 PolarHBondContact O-N 3.45Š|
| 105 | Q | 32.8 | Very low | 38.2 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -112.3 | 96.1 | 166.4 | -149.7 | 172.5 | -0.4 | 0 | 0 | 109 | ||||
| 106 | M | 34.8 | Very low | 38 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 86% | 0.862 | 79% | 0.786 | S | S | * | * | trans | 39 | 121.4 | 140.9 | -154.9 | 90.9 | 168.9 | 0 | 0 | 120.6 | ||||
| 107 | G | 30 | Very low | 37.9 | Very low | 67 Ų | 67 | 139.2 Ų | 139.2 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | trans | 158.7 | 74.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 108 | I | 34 | Very low | 38.5 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 64% | 0.641 | 77% | 0.772 | S | S | * | * | 67.8 | 97.7 | 105.6 | -65.9 | -176.5 | 0 | 0 | 0 | 112.9 | |||||
| 109 | E | 30.8 | Very low | 38.8 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | 76.5 | 133 | 119.5 | -65.9 | 171.9 | -175 | 0 | 0 | 113.3 | |||||
| 110 | E | 36.9 | Very low | 38.9 | Very low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | cis | -161.4 | 166.4 | 7.3 | -110.5 | -174.7 | 171.3 | 0 | 0 | 108 | ||||
| 111 | E | 29.7 | Very low | 38.8 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -17.7 | 152.5 | 167.7 | -66 | 177.6 | 110.8 | 0 | 0 | 120.5 | ||||
| 112 | G | 30.7 | Very low | 39.3 | Very low | 63 Ų | 63 | 131.5 Ų | 131.5 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | cis | 176 | 162.1 | 10.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 113 | Q | 32.3 | Very low | 40.1 | Very low | 195 Ų | 195 | 129.3 Ų | 129.3 | 91% | 0.911 | 73% | 0.73 | S | S | * | * | trans | 52 | 127.5 | 160.7 | -100.1 | 142.1 | -68.9 | 0 | 0 | 120.3 | ||||
| 114 | S | 36.3 | Very low | 41 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | cis | -170.1 | 138.1 | -0.9 | 59.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 115 | P | 38.5 | Very low | 41.9 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 84% | 0.844 | 71% | 0.708 | S | S | * | * | trans | -97.7 | 115.5 | 172 | 28.8 | -17.1 | 0 | 0 | 0 | 112.2 | ||||
| 116 | D | 49.8 | Very low | 43.1 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 57% | 0.567 | 69% | 0.692 | S | S | * | * | trans | 55.1 | 102.7 | 139.3 | -146.8 | 24 | 0 | 0 | 0 | 120 | N118 | D116-N118 PolarHBondContact O-N 2.99Å; D116-N118 VanDerWaalsContact OD1-CG 3.29Å; D116-N118 PolarHBondContact OD1-ND2 3.47Å | ||
| 117 | Q | 50.1 | Low | 44.3 | Very low | 180 Ų | 180 | 117.7 Ų | 117.7 | 84% | 0.841 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 12.7 | 176.1 | -65.3 | -175.5 | -56.3 | 0 | 0 | 113.9 | ||
| 118 | N | 53.4 | Low | 45.8 | Very low | 103 Ų | 103 | 118.4 Ų | 118.4 | 55% | 0.551 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -17 | -167.4 | -68.9 | -30.8 | 0 | 0 | 0 | 114.5 | D116 | D116-N118 PolarHBondContact O-N 2.99Å; D116-N118 VanDerWaalsContact OD1-CG 3.29Å; D116-N118 PolarHBondContact OD1-ND2 3.47Å |
| 119 | D | 53.8 | Low | 47.4 | Very low | 139 Ų | 139 | 115.7 Ų | 115.7 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -20.3 | -179.3 | -77.9 | -29.7 | 0 | 0 | 0 | 114.2 | ||
| 120 | A | 51 | Low | 49.1 | Very low | 68 Ų | 68 | 111.5 Ų | 111.5 | 56% | 0.562 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -24.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | S123 | A120-S123 PolarHBondContact O-OG 2.9Š|
| 121 | M | 43 | Very low | 51 | Low | 135 Ų | 135 | 109.1 Ų | 109.1 | 67% | 0.665 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.2 | -28.6 | -176.6 | -72.8 | -102.4 | 167.9 | 0 | 0 | 112.9 | S123 L124 Q125 | M121-S123 VanDerWaalsContact C-N 3.29Å; M121-S123 PolarHBondContact O-N 3.46Å; M121-L124 PolarHBondContact O-N 3.4Å; M121-Q125 PolarHBondContact O-N 3.28Å; M121-Q125 VanDerWaalsContact O-N 3.16Å |
| 122 | S | 51.2 | Low | 52.9 | Low | 77 Ų | 77 | 105.1 Ų | 105.1 | 54% | 0.538 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65 | -29.8 | 178.8 | -66.2 | 0 | 0 | 0 | 0 | 113.3 | S126 | S122-S126 PolarHBondContact O-N 3.22Å |
| 123 | S | 52.8 | Low | 55 | Low | 77 Ų | 77 | 108 Ų | 108 | 54% | 0.538 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -74.6 | -31.2 | 178.2 | 73.8 | 0 | 0 | 0 | 0 | 113.1 | A120 M121 S127 | A120-S123 PolarHBondContact O-OG 2.9Å; M121-S123 VanDerWaalsContact C-N 3.29Å; M121-S123 PolarHBondContact O-N 3.46Å; S123-S127 PolarHBondContact O-N 3.23Å; S123-S127 PolarHBondContact O-OG 2.97Å |
| 124 | L | 52.2 | Low | 56.9 | Low | 106 Ų | 106 | 107 Ų | 107 | 56% | 0.555 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.7 | -36.3 | 176.3 | -82.5 | 148.5 | 0 | 0 | 0 | 111.6 | M121 S126 S127 V128 | M121-L124 PolarHBondContact O-N 3.4Å; L124-S126 VanDerWaalsContact C-N 3.3Å; L124-S126 PolarHBondContact O-N 3.43Å; L124-S127 VanDerWaalsContact CA-OG 3.27Å; L124-S127 WeakPolarHBondContact CA-OG 3.45Å; L124-S127 PolarHBondContact O-N 3.27Å; L124-S127 PolarHBondContact O-OG 2.92Å; L124-V128 WeakPolarHBondContact O-CG2 3.33Å; L124-V128 PolarHBondContact O-N 3.42Å |
| 125 | Q | 55.4 | Low | 58.6 | Low | 138 Ų | 138 | 106 Ų | 106 | 65% | 0.645 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.9 | -36.3 | 174.5 | -165.4 | 173.7 | -1.5 | 0 | 0 | 112 | M121 S129 | M121-Q125 PolarHBondContact O-N 3.28Å; M121-Q125 VanDerWaalsContact O-N 3.16Å; Q125-S129 VanDerWaalsContact O-CB 3.3Å; Q125-S129 WeakPolarHBondContact O-CB 3.38Å; Q125-S129 PolarHBondContact O-N 2.95Å; Q125-S129 PolarHBondContact O-OG 2.81Å |
| 126 | S | 59.3 | Low | 60.2 | Low | 79 Ų | 79 | 106 Ų | 106 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.6 | -43 | 173.8 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | S122 L124 S129 C130 | S122-S126 PolarHBondContact O-N 3.22Å; L124-S126 VanDerWaalsContact C-N 3.3Å; L124-S126 PolarHBondContact O-N 3.43Å; S126-S129 PolarHBondContact O-N 3.48Å; S126-C130 WeakPolarHBondContact O-CB 3.42Å; S126-C130 PolarHBondContact O-N 3.05Å |
| 127 | S | 60 | Low | 61.1 | Low | 57 Ų | 57 | 106.3 Ų | 106.3 | 40% | 0.399 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.6 | -38.4 | 179.3 | 36.5 | 0 | 0 | 0 | 0 | 112.8 | S123 L124 C130 L131 | S123-S127 PolarHBondContact O-N 3.23Å; S123-S127 PolarHBondContact O-OG 2.97Å; L124-S127 VanDerWaalsContact CA-OG 3.27Å; L124-S127 WeakPolarHBondContact CA-OG 3.45Å; L124-S127 PolarHBondContact O-N 3.27Å; L124-S127 PolarHBondContact O-OG 2.92Å; S127-C130 PolarHBondContact O-N 3.04Å; S127-L131 WeakPolarHBondContact O-CG 3.3Å; S127-L131 PolarHBondContact O-N 3.15Å |
| 128 | V | 61.4 | Low | 61.8 | Low | 82 Ų | 82 | 102.9 Ų | 102.9 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.3 | -40.1 | 171.9 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | L124 C130 L131 L132 | L124-V128 WeakPolarHBondContact O-CG2 3.33Å; L124-V128 PolarHBondContact O-N 3.42Å; V128-C130 VanDerWaalsContact C-N 3.31Å; V128-C130 PolarHBondContact O-N 3.27Å; V128-L131 PolarHBondContact O-N 3.35Å; V128-L132 HydrophobicContact CG1-CD1 4.18Å; V128-L132 WeakPolarHBondContact O-CG 3.45Å; V128-L132 PolarHBondContact O-N 3.44Å |
| 129 | S | 65.6 | Low | 62.2 | Low | 67 Ų | 67 | 100 Ų | 100 | 47% | 0.469 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.2 | -35.6 | 176.1 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | Q125 S126 L132 L133 | Q125-S129 VanDerWaalsContact O-CB 3.3Å; Q125-S129 WeakPolarHBondContact O-CB 3.38Å; Q125-S129 PolarHBondContact O-N 2.95Å; Q125-S129 PolarHBondContact O-OG 2.81Å; S126-S129 PolarHBondContact O-N 3.48Å; S129-L132 PolarHBondContact O-N 3.06Å; S129-L133 WeakPolarHBondContact O-CB 3.34Å; S129-L133 PolarHBondContact O-N 3.32Å |
| 130 | C | 68.6 | Low | 62.5 | Low | 84 Ų | 84 | 95.7 Ų | 95.7 | 57% | 0.568 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.5 | -41 | 176.8 | -151.2 | 0 | 0 | 0 | 0 | 111.7 | S126 S127 V128 L133 W134 | S126-C130 WeakPolarHBondContact O-CB 3.42Å; S126-C130 PolarHBondContact O-N 3.05Å; S127-C130 PolarHBondContact O-N 3.04Å; V128-C130 VanDerWaalsContact C-N 3.31Å; V128-C130 PolarHBondContact O-N 3.27Å; C130-L133 PolarHBondContact O-N 2.83Å; C130-W134 PolarHBondContact O-N 3.47Å |
| 131 | L | 75.3 | Confident | 62.8 | Low | 119 Ų | 119 | 99.4 Ų | 99.4 | 62% | 0.623 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.3 | -39.7 | 174.5 | -69.2 | 172.6 | 0 | 0 | 0 | 112 | S127 V128 W134 T135 | S127-L131 WeakPolarHBondContact O-CG 3.3Å; S127-L131 PolarHBondContact O-N 3.15Å; V128-L131 PolarHBondContact O-N 3.35Å; L131-W134 WeakPolarHBondContact O-CB 3.44Å; L131-W134 PolarHBondContact O-N 2.87Å; L131-T135 WeakPolarHBondContact O-CG2 3.23Å; L131-T135 PolarHBondContact O-N 3Å; L131-T135 PolarHBondContact O-OG1 3.06Å |
| 132 | L | 70.3 | Confident | 63.4 | Low | 100 Ų | 100 | 100.5 Ų | 100.5 | 52% | 0.524 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -43.2 | 175.3 | -77.1 | 168.7 | 0 | 0 | 0 | 112.1 | V128 S129 W134 T135 L136 | V128-L132 HydrophobicContact CG1-CD1 4.18Å; V128-L132 WeakPolarHBondContact O-CG 3.45Å; V128-L132 PolarHBondContact O-N 3.44Å; S129-L132 PolarHBondContact O-N 3.06Å; L132-W134 VanDerWaalsContact C-N 3.27Å; L132-W134 PolarHBondContact O-N 2.97Å; L132-T135 WeakPolarHBondContact CA-OG1 3.45Å; L132-T135 PolarHBondContact O-N 3.16Å; L132-T135 PolarHBondContact O-OG1 2.76Å; L132-L136 WeakPolarHBondContact O-CG 2.98Å; L132-L136 PolarHBondContact O-N 2.85Å |
| 133 | L | 75 | Confident | 63.7 | Low | 124 Ų | 124 | 106.2 Ų | 106.2 | 65% | 0.649 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.3 | -40.9 | 174.7 | -168.2 | 76.3 | 0 | 0 | 0 | 111.3 | S129 C130 L136 L137 | S129-L133 WeakPolarHBondContact O-CB 3.34Å; S129-L133 PolarHBondContact O-N 3.32Å; C130-L133 PolarHBondContact O-N 2.83Å; L133-L136 PolarHBondContact O-N 2.83Å; L133-L137 WeakPolarHBondContact O-CB 3.4Å; L133-L137 PolarHBondContact O-N 3.04Å |
| 134 | W | 71.7 | Confident | 63.5 | Low | 172 Ų | 172 | 114.1 Ų | 114.1 | 65% | 0.652 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.6 | -44.8 | 175.7 | -170.9 | -87.5 | 0 | 0 | 0 | 112.3 | C130 L131 L132 L136 L137 Q138 | C130-W134 PolarHBondContact O-N 3.47Å; L131-W134 WeakPolarHBondContact O-CB 3.44Å; L131-W134 PolarHBondContact O-N 2.87Å; L132-W134 VanDerWaalsContact C-N 3.27Å; L132-W134 PolarHBondContact O-N 2.97Å; W134-L136 VanDerWaalsContact C-N 3.35Å; W134-L136 PolarHBondContact O-N 2.86Å; W134-L137 PolarHBondContact O-N 3.22Å; W134-Q138 WeakPolarHBondContact O-CB 3Å; W134-Q138 PolarHBondContact O-N 3.09Å |
| 135 | T | 73 | Confident | 64.1 | Low | 83 Ų | 83 | 114.5 Ų | 114.5 | 51% | 0.509 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.5 | -35.9 | 178.4 | 56.6 | 0 | 0 | 0 | 0 | 113 | L131 L132 Q138 G139 | L131-T135 WeakPolarHBondContact O-CG2 3.23Å; L131-T135 PolarHBondContact O-N 3Å; L131-T135 PolarHBondContact O-OG1 3.06Å; L132-T135 WeakPolarHBondContact CA-OG1 3.45Å; L132-T135 PolarHBondContact O-N 3.16Å; L132-T135 PolarHBondContact O-OG1 2.76Å; T135-Q138 PolarHBondContact O-N 2.96Å; T135-G139 PolarHBondContact O-N 2.87Å |
| 136 | L | 70.2 | Confident | 64.5 | Low | 129 Ų | 129 | 113.3 Ų | 113.3 | 68% | 0.675 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.7 | -39.4 | 175.4 | -75.9 | 168.2 | 0 | 0 | 0 | 111.8 | L132 L133 W134 Q138 G139 G140 | L132-L136 WeakPolarHBondContact O-CG 2.98Å; L132-L136 PolarHBondContact O-N 2.85Å; L133-L136 PolarHBondContact O-N 2.83Å; W134-L136 VanDerWaalsContact C-N 3.35Å; W134-L136 PolarHBondContact O-N 2.86Å; L136-Q138 VanDerWaalsContact C-N 3.33Å; L136-G139 PolarHBondContact O-N 3.03Å; L136-G140 PolarHBondContact O-N 2.84Å |
| 137 | L | 70 | Confident | 64.8 | Low | 113 Ų | 113 | 115.2 Ų | 115.2 | 59% | 0.592 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.5 | -39.8 | 176.1 | -165.7 | 68 | 0 | 0 | 0 | 111.2 | L133 W134 M141 | L133-L137 WeakPolarHBondContact O-CB 3.4Å; L133-L137 PolarHBondContact O-N 3.04Å; W134-L137 PolarHBondContact O-N 3.22Å; L137-M141 WeakPolarHBondContact O-CG 3.5Å; L137-M141 PolarHBondContact O-N 3.03Å |
| 138 | Q | 65.4 | Low | 65.1 | Low | 108 Ų | 108 | 118.6 Ų | 118.6 | 51% | 0.505 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -72.3 | -34.6 | 177.6 | -166.9 | 163.6 | -17.4 | 0 | 0 | 112.6 | W134 T135 L136 | W134-Q138 WeakPolarHBondContact O-CB 3Å; W134-Q138 PolarHBondContact O-N 3.09Å; T135-Q138 PolarHBondContact O-N 2.96Å; L136-Q138 VanDerWaalsContact C-N 3.33Å |
| 139 | G | 61.3 | Low | 65.3 | Low | 42 Ų | 42 | 120.9 Ų | 120.9 | 43% | 0.433 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -71.2 | -35.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T135 L136 M141 H142 | T135-G139 PolarHBondContact O-N 2.87Å; L136-G139 PolarHBondContact O-N 3.03Å; G139-M141 VanDerWaalsContact C-N 3.33Å; G139-M141 PolarHBondContact O-N 2.83Å; G139-H142 PolarHBondContact O-N 2.97Å |
| 140 | G | 60.3 | Low | 65.3 | Low | 49 Ų | 49 | 124.5 Ų | 124.5 | 51% | 0.505 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -70.6 | -24.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L136 | L136-G140 PolarHBondContact O-N 2.84Å |
| 141 | M | 57.5 | Low | 65.1 | Low | 146 Ų | 146 | 127.4 Ų | 127.4 | 72% | 0.719 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -16.5 | 175.1 | -72.5 | 179.6 | 63.1 | 0 | 0 | 113.9 | L137 G139 | L137-M141 WeakPolarHBondContact O-CG 3.5Å; L137-M141 PolarHBondContact O-N 3.03Å; G139-M141 VanDerWaalsContact C-N 3.33Å; G139-M141 PolarHBondContact O-N 2.83Å |
| 142 | H | 54.3 | Low | 64.3 | Low | 158 Ų | 158 | 128 Ų | 128 | 73% | 0.731 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -0.4 | 179 | -93.8 | -70.7 | 0 | 0 | 0 | 113.6 | G139 | G139-H142 PolarHBondContact O-N 2.97Š|
| 143 | F | 57.5 | Low | 63.8 | Low | 197 Ų | 197 | 130.3 Ų | 130.3 | 86% | 0.864 | 67% | 0.669 | S | S | * | * | trans | -114.8 | 12.1 | -179.6 | -119 | -81.2 | 0 | 0 | 0 | 113.3 | ||||
| 144 | M | 49.3 | Very low | 62.8 | Low | 243 Ų | 243 | 130.9 Ų | 130.9 | 100% | 1.197 | 67% | 0.671 | S | S | * | * | trans | -116.1 | 0 | 165.3 | -98.4 | -144 | 169.1 | 0 | 0 | 110.6 |
Retrieved 144 of 144 residues in 64.6 ms
(Link to these results)