| 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 | T | 40.8 | Very low | 49.5 | Very low | 197 Ų | 197 | 156.2 Ų | 156.2 | 100% | 1.209 | 84% | 0.842 | S | S | * | * | 0 | 123.2 | 0 | 28.2 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 2 | Q | 44 | Very low | 49.3 | Very low | 181 Ų | 181 | 163.3 Ų | 163.3 | 85% | 0.846 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 136.4 | -162.3 | -73.7 | 174.1 | -33.9 | 0 | 0 | 113.4 | ||
| 3 | F | 52 | Low | 48.9 | Very low | 196 Ų | 196 | 155.7 Ų | 155.7 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 130.4 | 166.6 | -108.9 | -101.4 | 0 | 0 | 0 | 111.1 | R5 | F3-R5 PolarHBondContact O-N 3.49Š|
| 4 | P | 51.8 | Low | 48.6 | Very low | 123 Ų | 123 | 156.4 Ų | 156.4 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 130.4 | 172 | 30.7 | -28.7 | 0 | 0 | 0 | 109.6 | ||
| 5 | R | 53.7 | Low | 48.4 | Very low | 223 Ų | 223 | 157.9 Ų | 157.9 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 146.8 | -170.2 | -63.9 | 170 | -167.9 | 163.3 | 3.4 | 111.6 | F3 L7 | F3-R5 PolarHBondContact O-N 3.49Å; R5-L7 PolarHBondContact O-N 3.38Å |
| 6 | G | 55.5 | Low | 48.6 | Very low | 73 Ų | 73 | 151.8 Ų | 151.8 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 127 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | K8 | G6-K8 PolarHBondContact O-N 2.83Š|
| 7 | L | 51.3 | Low | 48.9 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | trans | -59.5 | 92.5 | 150.5 | -114.8 | 85.2 | 0 | 0 | 0 | 106.6 | R5 M9 | R5-L7 PolarHBondContact O-N 3.38Å; L7-M9 PolarHBondContact O-N 2.85Å | ||
| 8 | K | 50.1 | Low | 49.6 | Very low | 203 Ų | 203 | 138.7 Ų | 138.7 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | trans | -66.4 | 89.3 | 165.3 | -144.3 | 179 | -171.8 | -176.6 | 0 | 104.8 | G6 A10 | G6-K8 PolarHBondContact O-N 2.83Å; K8-A10 PolarHBondContact O-N 2.82Å | ||
| 9 | M | 49.6 | Very low | 50.6 | Low | 163 Ų | 163 | 136.6 Ų | 136.6 | 80% | 0.803 | 72% | 0.718 | S | S | * | * | trans | -53.1 | 112.6 | 171.7 | -74.5 | 169.9 | 175.3 | 0 | 0 | 105.9 | L7 | L7-M9 PolarHBondContact O-N 2.85Š| ||
| 10 | A | 49.5 | Very low | 51.5 | Low | 80 Ų | 80 | 133 Ų | 133 | 66% | 0.661 | 70% | 0.703 | S | S | * | * | trans | -47 | 129.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | K8 R12 | K8-A10 PolarHBondContact O-N 2.82Å; A10-R12 PolarHBondContact O-N 2.95Å | ||
| 11 | P | 45.8 | Very low | 52.1 | Low | 120 Ų | 120 | 126.8 Ų | 126.8 | 78% | 0.779 | 67% | 0.67 | S | S | * | * | trans | -53.2 | 115.1 | 179.2 | 21.1 | -29.8 | 0 | 0 | 0 | 105.3 | G13 | P11-G13 PolarHBondContact O-N 2.72Š| ||
| 12 | R | 47.3 | Very low | 53.5 | Low | 241 Ų | 241 | 121.4 Ų | 121.4 | 91% | 0.909 | 63% | 0.631 | S | S | * | * | trans | -52.7 | 102.8 | 173.1 | -81.5 | -178.7 | 170.5 | 179 | -2.8 | 103.8 | A10 K14 | A10-R12 PolarHBondContact O-N 2.95Å; R12-K14 PolarHBondContact O-N 2.87Å | ||
| 13 | G | 44.6 | Very low | 55.1 | Low | 65 Ų | 65 | 118.2 Ų | 118.2 | 67% | 0.67 | 62% | 0.619 | S | S | * | * | trans | -50.9 | 112 | 179.5 | 0 | 0 | 0 | 0 | 0 | 104.6 | P11 R15 | P11-G13 PolarHBondContact O-N 2.72Å; G13-R15 PolarHBondContact O-N 2.83Å | ||
| 14 | K | 44.6 | Very low | 56.1 | Low | 166 Ų | 166 | 110.5 Ų | 110.5 | 72% | 0.722 | 59% | 0.586 | S | S | * | * | trans | -54.1 | 114.5 | -179.1 | -74 | -178.6 | 179.9 | -177 | 0 | 104.3 | R12 L16 Q85 | R12-K14 PolarHBondContact O-N 2.87Å; K14-L16 HydrophobicContact CB-CG 4.47Å; K14-L16 WeakPolarHBondContact O-CG 3.48Å; K14-L16 PolarHBondContact O-N 3.47Å; K14-Q85 PolarHBondContact O-NE2 3.06Å; K14-Q85 VanDerWaalsContact O-NE2 3.07Å | ||
| 15 | R | 45.3 | Very low | 56.9 | Low | 179 Ų | 179 | 105 Ų | 105 | 68% | 0.675 | 55% | 0.55 | S | S | * | . | trans | -68.1 | 91.9 | 178.6 | -154.3 | 179.4 | -159.8 | -118.4 | 3.5 | 104.5 | G13 S17 | G13-R15 PolarHBondContact O-N 2.83Å; R15-S17 PolarHBondContact O-N 2.93Å | ||
| 16 | L | 52.4 | Low | 57.8 | Low | 59 Ų | 59 | 101 Ų | 101 | 31% | 0.309 | 54% | 0.539 | S | S | . | . | trans | -79.9 | 47.2 | -179.4 | -70.2 | 165.3 | 0 | 0 | 0 | 108.9 | K14 S18 F143 M146 | K14-L16 HydrophobicContact CB-CG 4.47Å; K14-L16 WeakPolarHBondContact O-CG 3.48Å; K14-L16 PolarHBondContact O-N 3.47Å; L16-S18 PolarHBondContact O-N 2.96Å; L16-F143 HydrophobicContact CB-CE1 3.9Å; L16-F143 HydrophobicContact CB-CE2 4.31Å; L16-F143 HydrophobicContact CB-CZ 3.51Å; L16-F143 HydrophobicContact CD1-CD1 3.82Å; L16-F143 HydrophobicContact CD1-CE1 3.32Å; L16-F143 HydrophobicContact CD1-CZ 3.83Å; L16-F143 HydrophobicContact CG-CE1 4.26Å; L16-F143 HydrophobicContact CG-CZ 4.34Å; L16-M146 HydrophobicContact CD1-CE 3.18Å; L16-M146 HydrophobicContact CD1-SD 3.92Å | ||
| 17 | S | 53.5 | Low | 58.7 | Low | 30 Ų | 30 | 101.4 Ų | 101.4 | 21% | 0.21 | 52% | 0.523 | C | S | . | . | trans | -78.3 | 115.1 | 164.8 | 175.4 | 0 | 0 | 0 | 0 | 105.9 | R15 T19 N82 | R15-S17 PolarHBondContact O-N 2.93Å; S17-T19 PolarHBondContact O-N 3.19Å; S17-T19 VanDerWaalsContact O-N 3.14Å; S17-N82 PolarHBondContact OG-ND2 2.81Å | ||
| 18 | S | 61 | Low | 59.9 | Low | 38 Ų | 38 | 93.9 Ų | 93.9 | 27% | 0.266 | 48% | 0.484 | S | S | . | . | trans | -76.3 | 99.1 | 170.9 | -68.4 | 0 | 0 | 0 | 0 | 107.7 | L16 L21 E22 T139 | L16-S18 PolarHBondContact O-N 2.96Å; S18-L21 WeakPolarHBondContact O-CB 3.49Å; S18-L21 PolarHBondContact O-N 3.07Å; S18-E22 PolarHBondContact O-N 3.49Å; S18-T139 VanDerWaalsContact OG-CG2 3.25Å; S18-T139 WeakPolarHBondContact OG-CG2 3.21Å | ||
| 19 | T | 67.8 | Low | 61.1 | Low | 100 Ų | 100 | 86 Ų | 86 | 61% | 0.613 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -45.7 | -38.1 | 171.5 | 43.8 | 0 | 0 | 0 | 0 | 114.7 | S17 L21 E22 I23 | S17-T19 PolarHBondContact O-N 3.19Å; S17-T19 VanDerWaalsContact O-N 3.14Å; T19-L21 PolarHBondContact O-N 2.79Å; T19-E22 PolarHBondContact O-N 3.39Å; T19-I23 WeakPolarHBondContact O-CG1 3.35Å; T19-I23 PolarHBondContact O-N 3.29Å |
| 20 | P | 68.8 | Low | 62.3 | Low | 64 Ų | 64 | 86.2 Ų | 86.2 | 42% | 0.416 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.1 | -31.8 | 176.1 | 24.4 | -35.3 | 0 | 0 | 0 | 114.1 | L24 | P20-L24 PolarHBondContact O-N 3.01Å; P20-L24 VanDerWaalsContact O-N 3.12Å |
| 21 | L | 64.6 | Low | 63.6 | Low | 2 Ų | 2 | 84.2 Ų | 84.2 | 1% | 0.01 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -68.2 | -40.2 | 178.9 | -166.4 | 86.7 | 0 | 0 | 0 | 110.6 | S18 T19 L24 F25 L135 E136 | S18-L21 WeakPolarHBondContact O-CB 3.49Å; S18-L21 PolarHBondContact O-N 3.07Å; T19-L21 PolarHBondContact O-N 2.79Å; L21-L24 PolarHBondContact O-N 3.44Å; L21-F25 HydrophobicContact CD2-CD2 4.47Å; L21-F25 HydrophobicContact CD2-CE2 3.71Å; L21-F25 HydrophobicContact CD2-CZ 4.45Å; L21-F25 HydrophobicContact CG-CD2 4.22Å; L21-F25 HydrophobicContact CG-CE2 3.75Å; L21-F25 HydrophobicContact CG-CZ 4.43Å; L21-F25 WeakPolarHBondContact O-CD2 3.25Å; L21-F25 PolarHBondContact O-N 3.08Å; L21-L135 HydrophobicContact CD1-CB 3.56Å; L21-E136 HydrophobicContact CD1-CG 4.17Å |
| 22 | E | 71.5 | Confident | 64.9 | Low | 84 Ų | 84 | 79 Ų | 79 | 39% | 0.393 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 178.2 | -167.5 | 170.4 | 167.1 | 0 | 0 | 112.1 | S18 T19 L24 F25 F26 N82 | S18-E22 PolarHBondContact O-N 3.49Å; T19-E22 PolarHBondContact O-N 3.39Å; E22-L24 VanDerWaalsContact C-N 3.34Å; E22-F25 PolarHBondContact O-N 3.47Å; E22-F26 PolarHBondContact O-N 3.1Å; E22-F26 VanDerWaalsContact O-N 3.08Å; E22-N82 PolarHBondContact OE2-ND2 3.19Å |
| 23 | I | 75.8 | Confident | 66.4 | Low | 114 Ų | 114 | 70 Ų | 70 | 59% | 0.585 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.9 | -41.1 | 175.2 | -66.1 | 164.9 | 0 | 0 | 0 | 110.7 | T19 F26 L27 | T19-I23 WeakPolarHBondContact O-CG1 3.35Å; T19-I23 PolarHBondContact O-N 3.29Å; I23-F26 PolarHBondContact O-N 3.44Å; I23-L27 WeakPolarHBondContact O-CB 3.23Å; I23-L27 PolarHBondContact O-N 3.34Å |
| 24 | L | 73.1 | Confident | 68 | Low | 35 Ų | 35 | 69.5 Ų | 69.5 | 18% | 0.183 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 177.8 | -81.9 | 165.4 | 0 | 0 | 0 | 112.6 | P20 L21 E22 F26 L27 N28 F128 E132 L135 | P20-L24 PolarHBondContact O-N 3.01Å; P20-L24 VanDerWaalsContact O-N 3.12Å; L21-L24 PolarHBondContact O-N 3.44Å; E22-L24 VanDerWaalsContact C-N 3.34Å; L24-F26 VanDerWaalsContact C-N 3.31Å; L24-F26 PolarHBondContact O-N 3.49Å; L24-L27 PolarHBondContact O-N 3.46Å; L24-N28 VanDerWaalsContact O-CB 3.23Å; L24-N28 WeakPolarHBondContact O-CB 3.42Å; L24-N28 PolarHBondContact O-N 3.29Å; L24-F128 HydrophobicContact CD2-CD1 4.1Å; L24-F128 HydrophobicContact CD2-CE1 4.02Å; L24-E132 HydrophobicContact CB-CG 4.41Å; L24-L135 HydrophobicContact CD1-CD1 3.05Å |
| 25 | F | 69.9 | Low | 69.6 | Low | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.035 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 173.5 | -77.2 | -48.7 | 0 | 0 | 0 | 112.2 | L21 E22 N28 A29 L75 E132 | L21-F25 HydrophobicContact CD2-CD2 4.47Å; L21-F25 HydrophobicContact CD2-CE2 3.71Å; L21-F25 HydrophobicContact CD2-CZ 4.45Å; L21-F25 HydrophobicContact CG-CD2 4.22Å; L21-F25 HydrophobicContact CG-CE2 3.75Å; L21-F25 HydrophobicContact CG-CZ 4.43Å; L21-F25 WeakPolarHBondContact O-CD2 3.25Å; L21-F25 PolarHBondContact O-N 3.08Å; E22-F25 PolarHBondContact O-N 3.47Å; F25-N28 PolarHBondContact O-N 3.49Å; F25-A29 WeakPolarHBondContact O-CB 3.48Å; F25-A29 PolarHBondContact O-N 3.48Å; F25-L75 HydrophobicContact CD1-CD2 4.14Å; F25-E132 WeakPolarHBondContact CD1-OE1 3.37Å; F25-E132 HydrophobicContact CE1-CG 4.49Å; F25-E132 VanDerWaalsContact CE1-OE1 3.28Å; F25-E132 WeakPolarHBondContact CE1-OE1 3.35Å |
| 26 | F | 72 | Confident | 71.1 | Confident | 139 Ų | 139 | 55.8 Ų | 55.8 | 61% | 0.61 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.6 | -42.8 | 176.6 | -175.5 | -97.8 | 0 | 0 | 0 | 111.9 | E22 I23 L24 A29 W30 | E22-F26 PolarHBondContact O-N 3.1Å; E22-F26 VanDerWaalsContact O-N 3.08Å; I23-F26 PolarHBondContact O-N 3.44Å; L24-F26 VanDerWaalsContact C-N 3.31Å; L24-F26 PolarHBondContact O-N 3.49Å; F26-A29 PolarHBondContact O-N 3.49Å; F26-W30 AromaticContact CE1-CD1 3.66Å; F26-W30 AromaticContact CE1-NE1 3.88Å; F26-W30 AromaticContact CZ-CD1 3.68Å; F26-W30 AromaticContact CZ-NE1 3.55Å; F26-W30 PolarHBondContact O-N 2.93Å; F26-W30 VanDerWaalsContact O-N 3.12Å |
| 27 | L | 75.3 | Confident | 72.4 | Confident | 81 Ų | 81 | 57.5 Ų | 57.5 | 42% | 0.424 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71 | -37.8 | 179.8 | -159.6 | 140.3 | 0 | 0 | 0 | 111.7 | I23 L24 A29 W30 Y31 F128 | I23-L27 WeakPolarHBondContact O-CB 3.23Å; I23-L27 PolarHBondContact O-N 3.34Å; L24-L27 PolarHBondContact O-N 3.46Å; L27-A29 VanDerWaalsContact C-N 3.34Å; L27-W30 PolarHBondContact O-N 3.39Å; L27-Y31 WeakPolarHBondContact O-CB 3.34Å; L27-Y31 PolarHBondContact O-N 3.41Å; L27-F128 HydrophobicContact CD2-CD1 4.24Å; L27-F128 HydrophobicContact CD2-CE1 3.28Å; L27-F128 HydrophobicContact CD2-CE2 4.06Å; L27-F128 HydrophobicContact CD2-CZ 3.16Å |
| 28 | N | 76.1 | Confident | 73.7 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -34.9 | 173.8 | -166.7 | 20 | 0 | 0 | 0 | 111.9 | L24 F25 Y31 N32 R74 L75 E132 | L24-N28 VanDerWaalsContact O-CB 3.23Å; L24-N28 WeakPolarHBondContact O-CB 3.42Å; L24-N28 PolarHBondContact O-N 3.29Å; F25-N28 PolarHBondContact O-N 3.49Å; N28-Y31 PolarHBondContact O-N 3.47Å; N28-N32 VanDerWaalsContact O-CB 3.29Å; N28-N32 WeakPolarHBondContact O-CB 3.46Å; N28-N32 PolarHBondContact O-N 3.27Å; N28-N32 PolarHBondContact O-ND2 3.37Å; N28-N32 PolarHBondContact OD1-ND2 3.03Å; N28-R74 PolarHBondContact ND2-NH2 2.86Å; N28-L75 HydrophobicContact CB-CD2 4.39Å; N28-E132 PolarHBondContact ND2-OE1 3.14Å; N28-E132 PolarHBondContact ND2-OE2 2.97Å |
| 29 | A | 74.1 | Confident | 74.5 | Confident | 38 Ų | 38 | 57.9 Ų | 57.9 | 31% | 0.314 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F25 F26 L27 A33 L75 | F25-A29 WeakPolarHBondContact O-CB 3.48Å; F25-A29 PolarHBondContact O-N 3.48Å; F26-A29 PolarHBondContact O-N 3.49Å; L27-A29 VanDerWaalsContact C-N 3.34Å; A29-A33 PolarHBondContact O-N 2.93Å; A29-L75 HydrophobicContact CB-CD1 3.84Å; A29-L75 HydrophobicContact CB-CD2 4.27Å |
| 30 | W | 74.8 | Confident | 75 | Confident | 167 Ų | 167 | 56.4 Ų | 56.4 | 63% | 0.633 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 174 | -99.7 | 92.2 | 0 | 0 | 0 | 112 | F26 L27 A33 T34 | F26-W30 AromaticContact CE1-CD1 3.66Å; F26-W30 AromaticContact CE1-NE1 3.88Å; F26-W30 AromaticContact CZ-CD1 3.68Å; F26-W30 AromaticContact CZ-NE1 3.55Å; F26-W30 PolarHBondContact O-N 2.93Å; F26-W30 VanDerWaalsContact O-N 3.12Å; L27-W30 PolarHBondContact O-N 3.39Å; W30-A33 PolarHBondContact O-N 3.37Å; W30-T34 WeakPolarHBondContact O-CG2 3.44Å; W30-T34 PolarHBondContact O-N 3.09Å; W30-T34 PolarHBondContact O-OG1 3.36Å |
| 31 | Y | 78 | Confident | 75.6 | Confident | 37 Ų | 37 | 59.9 Ų | 59.9 | 15% | 0.145 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.7 | -47 | 178.3 | -172.8 | -96.3 | 0 | 0 | 0 | 111.4 | L27 N28 A33 T34 Y35 M121 I124 L125 | L27-Y31 WeakPolarHBondContact O-CB 3.34Å; L27-Y31 PolarHBondContact O-N 3.41Å; N28-Y31 PolarHBondContact O-N 3.47Å; Y31-A33 VanDerWaalsContact C-N 3.35Å; Y31-A33 PolarHBondContact O-N 3.12Å; Y31-T34 WeakPolarHBondContact CA-OG1 3.23Å; Y31-T34 PolarHBondContact O-N 3.39Å; Y31-T34 PolarHBondContact O-OG1 2.88Å; Y31-Y35 HydrophobicContact CE1-CD2 4.29Å; Y31-Y35 WeakPolarHBondContact O-CB 3.2Å; Y31-Y35 PolarHBondContact O-N 2.85Å; Y31-M121 WeakPolarHBondContact OH-CA 3.35Å; Y31-M121 PolarHBondContact OH-O 2.81Å; Y31-I124 HydrophobicContact CD2-CG2 4.39Å; Y31-I124 HydrophobicContact CE1-CG2 4.27Å; Y31-I124 HydrophobicContact CE2-CB 4.36Å; Y31-I124 HydrophobicContact CE2-CG2 3.58Å; Y31-I124 WeakPolarHBondContact OH-CB 3.33Å; Y31-L125 HydrophobicContact CD1-CD1 3.84Å; Y31-L125 HydrophobicContact CE1-CB 4Å; Y31-L125 HydrophobicContact CE1-CD1 3.82Å |
| 32 | N | 73.6 | Confident | 76.2 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.7 | -39 | 176.5 | -86.8 | -59.9 | 0 | 0 | 0 | 113.3 | N28 T34 Y35 F36 E71 | N28-N32 VanDerWaalsContact O-CB 3.29Å; N28-N32 WeakPolarHBondContact O-CB 3.46Å; N28-N32 PolarHBondContact O-N 3.27Å; N28-N32 PolarHBondContact O-ND2 3.37Å; N28-N32 PolarHBondContact OD1-ND2 3.03Å; N32-T34 VanDerWaalsContact C-N 3.35Å; N32-T34 PolarHBondContact O-N 3.05Å; N32-Y35 PolarHBondContact O-N 3.01Å; N32-F36 WeakPolarHBondContact O-CB 3.28Å; N32-F36 PolarHBondContact O-N 2.82Å; N32-E71 HydrophobicContact CB-CG 4.33Å; N32-E71 VanDerWaalsContact CG-CG 3.49Å; N32-E71 WeakPolarHBondContact OD1-CG 3.24Å |
| 33 | A | 77.4 | Confident | 76.3 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 44% | 0.438 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A29 W30 Y31 L37 | A29-A33 PolarHBondContact O-N 2.93Å; W30-A33 PolarHBondContact O-N 3.37Å; Y31-A33 VanDerWaalsContact C-N 3.35Å; Y31-A33 PolarHBondContact O-N 3.12Å; A33-L37 PolarHBondContact O-N 3.26Å |
| 34 | T | 78.5 | Confident | 76.4 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 175.5 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | W30 Y31 N32 L37 L38 | W30-T34 WeakPolarHBondContact O-CG2 3.44Å; W30-T34 PolarHBondContact O-N 3.09Å; W30-T34 PolarHBondContact O-OG1 3.36Å; Y31-T34 WeakPolarHBondContact CA-OG1 3.23Å; Y31-T34 PolarHBondContact O-N 3.39Å; Y31-T34 PolarHBondContact O-OG1 2.88Å; N32-T34 VanDerWaalsContact C-N 3.35Å; N32-T34 PolarHBondContact O-N 3.05Å; T34-L37 PolarHBondContact O-N 2.96Å; T34-L38 WeakPolarHBondContact O-CB 3.49Å; T34-L38 WeakPolarHBondContact O-CD1 3.33Å; T34-L38 PolarHBondContact O-N 3.34Å |
| 35 | Y | 78.1 | Confident | 76.7 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.6 | -49.5 | 176.9 | -176.2 | -81.1 | 0 | 0 | 0 | 110.7 | Y31 N32 L37 L38 E39 M121 N122 L125 | Y31-Y35 HydrophobicContact CE1-CD2 4.29Å; Y31-Y35 WeakPolarHBondContact O-CB 3.2Å; Y31-Y35 PolarHBondContact O-N 2.85Å; N32-Y35 PolarHBondContact O-N 3.01Å; Y35-L37 PolarHBondContact O-N 3.42Å; Y35-L38 PolarHBondContact O-N 3Å; Y35-E39 HydrophobicContact CE1-CB 4.38Å; Y35-E39 HydrophobicContact CE1-CG 4.36Å; Y35-E39 WeakPolarHBondContact O-CB 3.09Å; Y35-E39 PolarHBondContact O-N 2.81Å; Y35-E39 PolarHBondContact OH-OE2 3.25Å; Y35-M121 HydrophobicContact CD2-CB 3.88Å; Y35-M121 HydrophobicContact CD2-CE 3.63Å; Y35-M121 HydrophobicContact CE2-CB 3.67Å; Y35-M121 HydrophobicContact CE2-CE 4.16Å; Y35-M121 HydrophobicContact CG-CE 4.01Å; Y35-N122 PolarHBondContact OH-ND2 3.47Å; Y35-N122 PolarHBondContact OH-OD1 2.79Å; Y35-L125 HydrophobicContact CE2-CD2 4.36Å |
| 36 | F | 77.1 | Confident | 76.9 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 21% | 0.211 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 179.1 | -177.3 | -100 | 0 | 0 | 0 | 112.9 | N32 L40 L64 L65 L68 | N32-F36 WeakPolarHBondContact O-CB 3.28Å; N32-F36 PolarHBondContact O-N 2.82Å; F36-L40 WeakPolarHBondContact O-CB 3.17Å; F36-L40 PolarHBondContact O-N 3.24Å; F36-L64 HydrophobicContact CD2-CD2 3.74Å; F36-L64 HydrophobicContact CD2-CG 4.08Å; F36-L64 HydrophobicContact CE2-CD2 3.53Å; F36-L64 HydrophobicContact CE2-CG 4.02Å; F36-L64 HydrophobicContact CZ-CD2 4.42Å; F36-L65 HydrophobicContact CE2-CD2 4.29Å; F36-L65 HydrophobicContact CZ-CD2 4.12Å; F36-L68 HydrophobicContact CB-CD1 4.25Å; F36-L68 HydrophobicContact CD1-CD2 4.33Å; F36-L68 HydrophobicContact CD2-CB 4.09Å; F36-L68 HydrophobicContact CD2-CD1 4.01Å; F36-L68 HydrophobicContact CD2-CD2 3.8Å; F36-L68 HydrophobicContact CD2-CG 4.17Å; F36-L68 HydrophobicContact CE1-CD2 4.15Å; F36-L68 HydrophobicContact CE2-CB 4.15Å; F36-L68 HydrophobicContact CE2-CD2 3.61Å; F36-L68 HydrophobicContact CE2-CG 4.33Å; F36-L68 HydrophobicContact CG-CD1 4.11Å; F36-L68 HydrophobicContact CG-CD2 4.16Å; F36-L68 HydrophobicContact CZ-CD2 3.79Å |
| 37 | L | 80.6 | Confident | 76.9 | Confident | 96 Ų | 96 | 55.9 Ų | 55.9 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 176.2 | -90.5 | 160.7 | 0 | 0 | 0 | 111.8 | A33 T34 Y35 L40 F41 | A33-L37 PolarHBondContact O-N 3.26Å; T34-L37 PolarHBondContact O-N 2.96Å; Y35-L37 PolarHBondContact O-N 3.42Å; L37-L40 WeakPolarHBondContact O-CB 3.43Å; L37-L40 PolarHBondContact O-N 3.44Å; L37-F41 HydrophobicContact CD2-CE2 4.48Å; L37-F41 WeakPolarHBondContact O-CD2 3.43Å; L37-F41 PolarHBondContact O-N 3.13Å |
| 38 | L | 80.7 | Confident | 76.8 | Confident | 75 Ų | 75 | 58.2 Ų | 58.2 | 39% | 0.393 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 179.9 | -91.8 | 141.6 | 0 | 0 | 0 | 111.8 | T34 Y35 L40 F41 I42 L117 M121 | T34-L38 WeakPolarHBondContact O-CB 3.49Å; T34-L38 WeakPolarHBondContact O-CD1 3.33Å; T34-L38 PolarHBondContact O-N 3.34Å; Y35-L38 PolarHBondContact O-N 3Å; L38-L40 VanDerWaalsContact C-N 3.33Å; L38-L40 PolarHBondContact O-N 2.87Å; L38-F41 WeakPolarHBondContact O-CB 3.32Å; L38-F41 PolarHBondContact O-N 3.12Å; L38-I42 VanDerWaalsContact O-CG1 3.31Å; L38-I42 WeakPolarHBondContact O-CG1 3.34Å; L38-I42 PolarHBondContact O-N 3.32Å; L38-L117 HydrophobicContact CD2-CD2 3.91Å; L38-M121 HydrophobicContact CB-CE 3.31Å; L38-M121 HydrophobicContact CB-SD 3.96Å; L38-M121 HydrophobicContact CD1-CE 3.85Å; L38-M121 HydrophobicContact CD1-SD 4.39Å; L38-M121 HydrophobicContact CD2-SD 4.28Å; L38-M121 HydrophobicContact CG-CE 4.07Å; L38-M121 HydrophobicContact CG-SD 4.44Å |
| 39 | E | 76.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | 177.9 | -152.7 | 72 | -159.3 | 0 | 0 | 111.3 | Y35 F41 I42 F43 L64 | Y35-E39 HydrophobicContact CE1-CB 4.38Å; Y35-E39 HydrophobicContact CE1-CG 4.36Å; Y35-E39 WeakPolarHBondContact O-CB 3.09Å; Y35-E39 PolarHBondContact O-N 2.81Å; Y35-E39 PolarHBondContact OH-OE2 3.25Å; E39-F41 VanDerWaalsContact C-N 3.35Å; E39-F41 PolarHBondContact O-N 3.46Å; E39-I42 PolarHBondContact O-N 2.88Å; E39-F43 HydrophobicContact CG-CD2 4.27Å; E39-F43 HydrophobicContact CG-CE2 3.69Å; E39-F43 HydrophobicContact CG-CZ 4.36Å; E39-F43 WeakPolarHBondContact O-CD2 3.42Å; E39-F43 PolarHBondContact O-N 2.97Å; E39-L64 HydrophobicContact CB-CD1 3.97Å; E39-L64 HydrophobicContact CB-CD2 4.32Å; E39-L64 HydrophobicContact CG-CD1 3.51Å; E39-L64 HydrophobicContact CG-CD2 4.43Å |
| 40 | L | 79.4 | Confident | 76 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 37% | 0.366 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 173.9 | -175.4 | 69.8 | 0 | 0 | 0 | 111.8 | F36 L37 L38 I42 F43 L44 | F36-L40 WeakPolarHBondContact O-CB 3.17Å; F36-L40 PolarHBondContact O-N 3.24Å; L37-L40 WeakPolarHBondContact O-CB 3.43Å; L37-L40 PolarHBondContact O-N 3.44Å; L38-L40 VanDerWaalsContact C-N 3.33Å; L38-L40 PolarHBondContact O-N 2.87Å; L40-I42 VanDerWaalsContact C-N 3.35Å; L40-F43 PolarHBondContact O-N 3.15Å; L40-L44 WeakPolarHBondContact O-CG 3.2Å; L40-L44 PolarHBondContact O-N 2.96Å; L40-L44 VanDerWaalsContact O-N 3.08Å |
| 41 | F | 80.9 | Confident | 75.5 | Confident | 137 Ų | 137 | 62.3 Ų | 62.3 | 60% | 0.601 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.6 | -39.2 | 175.5 | -87.1 | -71.1 | 0 | 0 | 0 | 112.5 | L37 L38 E39 L44 Y45 | L37-F41 HydrophobicContact CD2-CE2 4.48Å; L37-F41 WeakPolarHBondContact O-CD2 3.43Å; L37-F41 PolarHBondContact O-N 3.13Å; L38-F41 WeakPolarHBondContact O-CB 3.32Å; L38-F41 PolarHBondContact O-N 3.12Å; E39-F41 VanDerWaalsContact C-N 3.35Å; E39-F41 PolarHBondContact O-N 3.46Å; F41-L44 PolarHBondContact O-N 3.3Å; F41-Y45 WeakPolarHBondContact O-CB 3.25Å; F41-Y45 PolarHBondContact O-N 2.98Å |
| 42 | I | 77.7 | Confident | 74.5 | Confident | 13 Ų | 13 | 62.2 Ų | 62.2 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 177.2 | -66.5 | 165.9 | 0 | 0 | 0 | 110.9 | L38 E39 L40 Y45 K46 L117 E118 | L38-I42 VanDerWaalsContact O-CG1 3.31Å; L38-I42 WeakPolarHBondContact O-CG1 3.34Å; L38-I42 PolarHBondContact O-N 3.32Å; E39-I42 PolarHBondContact O-N 2.88Å; L40-I42 VanDerWaalsContact C-N 3.35Å; I42-Y45 WeakPolarHBondContact O-CB 3.46Å; I42-Y45 PolarHBondContact O-N 3.46Å; I42-K46 HydrophobicContact CG2-CD 4.22Å; I42-K46 HydrophobicContact CG2-CG 4.45Å; I42-K46 WeakPolarHBondContact O-CG 3.46Å; I42-K46 PolarHBondContact O-N 3.43Å; I42-L117 HydrophobicContact CD1-CD2 3.65Å; I42-L117 HydrophobicContact CG1-CD2 4.47Å; I42-E118 HydrophobicContact CD1-CG 3.79Å; I42-E118 HydrophobicContact CG2-CG 4.21Å |
| 43 | F | 74.1 | Confident | 74.3 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 173.9 | -76.6 | -55.1 | 0 | 0 | 0 | 112.6 | E39 L40 Y45 K46 G47 D60 V61 L64 Y107 | E39-F43 HydrophobicContact CG-CD2 4.27Å; E39-F43 HydrophobicContact CG-CE2 3.69Å; E39-F43 HydrophobicContact CG-CZ 4.36Å; E39-F43 WeakPolarHBondContact O-CD2 3.42Å; E39-F43 PolarHBondContact O-N 2.97Å; L40-F43 PolarHBondContact O-N 3.15Å; F43-Y45 VanDerWaalsContact C-N 3.29Å; F43-Y45 PolarHBondContact O-N 3.46Å; F43-K46 PolarHBondContact O-N 2.93Å; F43-G47 PolarHBondContact O-N 3.24Å; F43-D60 HydrophobicContact CD1-CB 4.46Å; F43-D60 HydrophobicContact CE1-CB 3.48Å; F43-D60 VanDerWaalsContact CE1-CB 3.48Å; F43-D60 HydrophobicContact CZ-CB 3.71Å; F43-V61 HydrophobicContact CD2-CG2 4.32Å; F43-V61 HydrophobicContact CG-CG2 4.26Å; F43-L64 HydrophobicContact CD2-CD2 4.34Å; F43-L64 HydrophobicContact CE2-CB 4.35Å; F43-L64 HydrophobicContact CE2-CD1 4.19Å; F43-L64 HydrophobicContact CE2-CD2 4.03Å; F43-L64 HydrophobicContact CE2-CG 4.41Å; F43-Y107 HydrophobicContact CZ-CE1 4.46Å |
| 44 | L | 77.5 | Confident | 73.8 | Confident | 108 Ų | 108 | 68.1 Ų | 68.1 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.6 | -41.3 | 173.9 | -68.1 | 173.7 | 0 | 0 | 0 | 111.2 | L40 F41 G47 V48 | L40-L44 WeakPolarHBondContact O-CG 3.2Å; L40-L44 PolarHBondContact O-N 2.96Å; L40-L44 VanDerWaalsContact O-N 3.08Å; F41-L44 PolarHBondContact O-N 3.3Å; L44-G47 PolarHBondContact O-N 2.73Å; L44-V48 WeakPolarHBondContact O-CG2 3.38Å; L44-V48 PolarHBondContact O-N 3.47Å; L44-V48 VanDerWaalsContact O-N 3.15Å |
| 45 | Y | 79.3 | Confident | 73.5 | Confident | 122 Ų | 122 | 69 Ų | 69 | 48% | 0.478 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 176.3 | -179 | -98 | 0 | 0 | 0 | 112.4 | F41 I42 F43 G47 V48 L49 | F41-Y45 WeakPolarHBondContact O-CB 3.25Å; F41-Y45 PolarHBondContact O-N 2.98Å; I42-Y45 WeakPolarHBondContact O-CB 3.46Å; I42-Y45 PolarHBondContact O-N 3.46Å; F43-Y45 VanDerWaalsContact C-N 3.29Å; F43-Y45 PolarHBondContact O-N 3.46Å; Y45-G47 VanDerWaalsContact C-N 3.33Å; Y45-G47 PolarHBondContact O-N 3.49Å; Y45-V48 PolarHBondContact O-N 2.85Å; Y45-L49 HydrophobicContact CE1-CD2 4.22Å; Y45-L49 HydrophobicContact CE2-CD1 3.92Å; Y45-L49 HydrophobicContact CE2-CD2 4.4Å; Y45-L49 VanDerWaalsContact O-CB 3.32Å; Y45-L49 WeakPolarHBondContact O-CB 3.49Å; Y45-L49 PolarHBondContact O-N 3.26Å; Y45-L49 WeakPolarHBondContact OH-CD2 3.33Å |
| 46 | K | 72.8 | Confident | 73.2 | Confident | 6 Ų | 6 | 72.6 Ų | 72.6 | 3% | 0.026 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.9 | -75.1 | 178.8 | 179.4 | 174.5 | 0 | 111.8 | I42 F43 V48 L50 Y113 E118 | I42-K46 HydrophobicContact CG2-CD 4.22Å; I42-K46 HydrophobicContact CG2-CG 4.45Å; I42-K46 WeakPolarHBondContact O-CG 3.46Å; I42-K46 PolarHBondContact O-N 3.43Å; F43-K46 PolarHBondContact O-N 2.93Å; K46-V48 VanDerWaalsContact C-N 3.33Å; K46-V48 PolarHBondContact O-N 3.48Å; K46-L50 PolarHBondContact O-N 3.27Å; K46-L50 VanDerWaalsContact O-N 3.1Å; K46-Y113 PolarHBondContact NZ-O 2.89Å; K46-E118 IonicContact NZ-OE1 2.77Å; K46-E118 PolarHBondContact NZ-OE1 3.37Å; K46-E118 IonicContact NZ-OE2 2.72Å; K46-E118 PolarHBondContact NZ-OE2 3.05Å |
| 47 | G | 72.9 | Confident | 72.7 | Confident | 43 Ų | 43 | 72.2 Ų | 72.2 | 44% | 0.443 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69 | -25.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F43 L44 Y45 | F43-G47 PolarHBondContact O-N 3.24Å; L44-G47 PolarHBondContact O-N 2.73Å; Y45-G47 VanDerWaalsContact C-N 3.33Å; Y45-G47 PolarHBondContact O-N 3.49Å |
| 48 | V | 73.9 | Confident | 72.3 | Confident | 129 Ų | 129 | 72 Ų | 72 | 78% | 0.782 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -90.5 | -37.8 | 177.3 | 174.6 | 0 | 0 | 0 | 0 | 111.9 | L44 Y45 K46 | L44-V48 WeakPolarHBondContact O-CG2 3.38Å; L44-V48 PolarHBondContact O-N 3.47Å; L44-V48 VanDerWaalsContact O-N 3.15Å; Y45-V48 PolarHBondContact O-N 2.85Å; K46-V48 VanDerWaalsContact C-N 3.33Å; K46-V48 PolarHBondContact O-N 3.48Å |
| 49 | L | 69.4 | Low | 72 | Confident | 107 Ų | 107 | 73.1 Ų | 73.1 | 56% | 0.56 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -98.3 | -29.8 | -166.6 | -141.2 | 105.5 | 0 | 0 | 0 | 114.4 | Y45 | Y45-L49 HydrophobicContact CE1-CD2 4.22Å; Y45-L49 HydrophobicContact CE2-CD1 3.92Å; Y45-L49 HydrophobicContact CE2-CD2 4.4Å; Y45-L49 VanDerWaalsContact O-CB 3.32Å; Y45-L49 WeakPolarHBondContact O-CB 3.49Å; Y45-L49 PolarHBondContact O-N 3.26Å; Y45-L49 WeakPolarHBondContact OH-CD2 3.33Å |
| 50 | L | 62.5 | Low | 71.8 | Confident | 48 Ų | 48 | 74.6 Ų | 74.6 | 25% | 0.251 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -107.1 | 140.3 | 176.8 | -77.8 | 87.6 | 0 | 0 | 0 | 109.9 | K46 Y52 Y113 | K46-L50 PolarHBondContact O-N 3.27Å; K46-L50 VanDerWaalsContact O-N 3.1Å; L50-Y52 HydrophobicContact CB-CD2 3.84Å; L50-Y52 HydrophobicContact CD2-CD2 4.05Å; L50-Y52 HydrophobicContact CD2-CE2 4.05Å; L50-Y52 PolarHBondContact O-N 3.22Å; L50-Y113 HydrophobicContact CD2-CD1 4.23Å; L50-Y113 HydrophobicContact CD2-CD2 4.41Å; L50-Y113 HydrophobicContact CD2-CE1 4.18Å; L50-Y113 HydrophobicContact CD2-CE2 4.34Å; L50-Y113 HydrophobicContact CD2-CG 4.35Å |
| 51 | P | 64.1 | Low | 71.4 | Confident | 137 Ų | 137 | 73.5 Ų | 73.5 | 89% | 0.89 | 42% | 0.419 | S | S | * | . | trans | -70.8 | 70.3 | 166.8 | 30.5 | -33 | 0 | 0 | 0 | 109.3 | ||||
| 52 | Y | 58.4 | Low | 71.2 | Confident | 35 Ų | 35 | 70.5 Ų | 70.5 | 14% | 0.137 | 41% | 0.411 | C | S | . | . | trans | -84.1 | 131.4 | 179.7 | -124.8 | -95.7 | 0 | 0 | 0 | 108.9 | L50 T54 Y113 | L50-Y52 HydrophobicContact CB-CD2 3.84Å; L50-Y52 HydrophobicContact CD2-CD2 4.05Å; L50-Y52 HydrophobicContact CD2-CE2 4.05Å; L50-Y52 PolarHBondContact O-N 3.22Å; Y52-T54 PolarHBondContact O-N 3.29Å; Y52-T54 VanDerWaalsContact O-N 3.15Å; Y52-Y113 AromaticContact CE2-CD2 3.58Å; Y52-Y113 HydrophobicContact CE2-CD2 3.58Å; Y52-Y113 HydrophobicContact CE2-CE2 4.13Å; Y52-Y113 HydrophobicContact CE2-CG 4.27Å; Y52-Y113 AromaticContact CZ-CD2 3.89Å; Y52-Y113 WeakPolarHBondContact OH-CD2 3.4Å | ||
| 53 | P | 68.3 | Low | 70.9 | Confident | 76 Ų | 76 | 73 Ų | 73 | 49% | 0.494 | 42% | 0.424 | S | S | . | . | trans | -60.4 | 122 | 174.3 | 22.4 | -29.8 | 0 | 0 | 0 | 109.3 | A55 N56 L57 | P53-A55 PolarHBondContact O-N 3.35Å; P53-A55 VanDerWaalsContact O-N 3.08Å; P53-N56 PolarHBondContact O-N 3.25Å; P53-L57 PolarHBondContact O-N 3.3Å | ||
| 54 | T | 68.2 | Low | 70.9 | Confident | 112 Ų | 112 | 73 Ų | 73 | 69% | 0.687 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -56.1 | -28.6 | -174.9 | 19.8 | 0 | 0 | 0 | 0 | 113.2 | Y52 N56 L57 V58 | Y52-T54 PolarHBondContact O-N 3.29Å; Y52-T54 VanDerWaalsContact O-N 3.15Å; T54-N56 PolarHBondContact O-N 3.32Å; T54-L57 PolarHBondContact O-N 3.39Å; T54-V58 VanDerWaalsContact O-CG2 3.29Å; T54-V58 WeakPolarHBondContact O-CG2 3.5Å; T54-V58 PolarHBondContact O-N 2.94Å; T54-V58 VanDerWaalsContact O-N 3.08Å |
| 55 | A | 72.3 | Confident | 70.7 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 61% | 0.612 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.3 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P53 L59 | P53-A55 PolarHBondContact O-N 3.35Å; P53-A55 VanDerWaalsContact O-N 3.08Å; A55-L59 PolarHBondContact O-N 2.91Å |
| 56 | N | 70.3 | Confident | 70.5 | Confident | 83 Ų | 83 | 71.4 Ų | 71.4 | 44% | 0.444 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -76.1 | -37.5 | -179.7 | -70.8 | 42.2 | 0 | 0 | 0 | 111.1 | P53 T54 V58 L59 D60 | P53-N56 PolarHBondContact O-N 3.25Å; T54-N56 PolarHBondContact O-N 3.32Å; N56-V58 VanDerWaalsContact C-N 3.32Å; N56-V58 PolarHBondContact O-N 3.33Å; N56-L59 PolarHBondContact O-N 2.87Å; N56-D60 PolarHBondContact O-N 3.41Å |
| 57 | L | 67.8 | Low | 70.4 | Confident | 39 Ų | 39 | 71.8 Ų | 71.8 | 20% | 0.204 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 176.7 | -163.3 | 101.1 | 0 | 0 | 0 | 111.6 | P53 T54 D60 V61 | P53-L57 PolarHBondContact O-N 3.3Å; T54-L57 PolarHBondContact O-N 3.39Å; L57-D60 PolarHBondContact O-N 3.29Å; L57-V61 VanDerWaalsContact O-CG2 3.31Å; L57-V61 WeakPolarHBondContact O-CG2 3.46Å; L57-V61 PolarHBondContact O-N 3.28Å |
| 58 | V | 72.7 | Confident | 70.4 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 55% | 0.552 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65 | -42.1 | 177.5 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | T54 N56 D60 V61 V62 | T54-V58 VanDerWaalsContact O-CG2 3.29Å; T54-V58 WeakPolarHBondContact O-CG2 3.5Å; T54-V58 PolarHBondContact O-N 2.94Å; T54-V58 VanDerWaalsContact O-N 3.08Å; N56-V58 VanDerWaalsContact C-N 3.32Å; N56-V58 PolarHBondContact O-N 3.33Å; V58-D60 VanDerWaalsContact C-N 3.35Å; V58-D60 PolarHBondContact O-N 3.5Å; V58-V61 PolarHBondContact O-N 2.97Å; V58-V62 HydrophobicContact CG1-CG2 4.3Å; V58-V62 WeakPolarHBondContact O-CB 3.49Å; V58-V62 VanDerWaalsContact O-CG2 3.24Å; V58-V62 WeakPolarHBondContact O-CG2 3.29Å; V58-V62 PolarHBondContact O-N 2.98Å |
| 59 | L | 72.3 | Confident | 70.3 | Confident | 100 Ų | 100 | 67.6 Ų | 67.6 | 52% | 0.524 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 177.9 | -168.6 | 145.2 | 0 | 0 | 0 | 111.5 | A55 N56 V61 V62 M63 | A55-L59 PolarHBondContact O-N 2.91Å; N56-L59 PolarHBondContact O-N 2.87Å; L59-V61 PolarHBondContact O-N 2.62Å; L59-V62 PolarHBondContact O-N 3.28Å; L59-M63 HydrophobicContact CD2-CE 4.43Å; L59-M63 HydrophobicContact CD2-CG 4.06Å; L59-M63 WeakPolarHBondContact O-CB 3.47Å; L59-M63 VanDerWaalsContact O-CG 3.31Å; L59-M63 WeakPolarHBondContact O-CG 3.29Å; L59-M63 PolarHBondContact O-N 2.71Å |
| 60 | D | 73.1 | Confident | 70.4 | Confident | 31 Ų | 31 | 64.2 Ų | 64.2 | 17% | 0.166 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 177.7 | -70.4 | -13 | 0 | 0 | 0 | 112.2 | F43 N56 L57 V58 L64 Y107 | F43-D60 HydrophobicContact CD1-CB 4.46Å; F43-D60 HydrophobicContact CE1-CB 3.48Å; F43-D60 VanDerWaalsContact CE1-CB 3.48Å; F43-D60 HydrophobicContact CZ-CB 3.71Å; N56-D60 PolarHBondContact O-N 3.41Å; L57-D60 PolarHBondContact O-N 3.29Å; V58-D60 VanDerWaalsContact C-N 3.35Å; V58-D60 PolarHBondContact O-N 3.5Å; D60-L64 WeakPolarHBondContact O-CB 3.32Å; D60-L64 PolarHBondContact O-N 3.17Å; D60-Y107 PolarHBondContact O-OH 3.15Å |
| 61 | V | 71.4 | Confident | 70.6 | Confident | 47 Ų | 47 | 62 Ų | 62 | 29% | 0.285 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 175.9 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | F43 L57 V58 L59 L64 L65 | F43-V61 HydrophobicContact CD2-CG2 4.32Å; F43-V61 HydrophobicContact CG-CG2 4.26Å; L57-V61 VanDerWaalsContact O-CG2 3.31Å; L57-V61 WeakPolarHBondContact O-CG2 3.46Å; L57-V61 PolarHBondContact O-N 3.28Å; V58-V61 PolarHBondContact O-N 2.97Å; L59-V61 PolarHBondContact O-N 2.62Å; V61-L64 WeakPolarHBondContact O-CB 3.35Å; V61-L64 PolarHBondContact O-N 2.92Å; V61-L65 HydrophobicContact CG1-CD1 4.44Å; V61-L65 PolarHBondContact O-N 2.62Å |
| 62 | V | 76.8 | Confident | 70.9 | Confident | 74 Ų | 74 | 59.6 Ų | 59.6 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 176.8 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | V58 L59 L64 L65 L66 | V58-V62 HydrophobicContact CG1-CG2 4.3Å; V58-V62 WeakPolarHBondContact O-CB 3.49Å; V58-V62 VanDerWaalsContact O-CG2 3.24Å; V58-V62 WeakPolarHBondContact O-CG2 3.29Å; V58-V62 PolarHBondContact O-N 2.98Å; L59-V62 PolarHBondContact O-N 3.28Å; V62-L64 PolarHBondContact O-N 3.29Å; V62-L65 PolarHBondContact O-N 2.78Å; V62-L66 HydrophobicContact CG1-CD1 3.92Å; V62-L66 PolarHBondContact O-N 2.9Å |
| 63 | M | 70.9 | Confident | 71.3 | Confident | 66 Ų | 66 | 62 Ų | 62 | 33% | 0.325 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.1 | -35.8 | 174.3 | -75.4 | -71.2 | -170.7 | 0 | 0 | 111.5 | L59 L66 Y67 M103 Y107 | L59-M63 HydrophobicContact CD2-CE 4.43Å; L59-M63 HydrophobicContact CD2-CG 4.06Å; L59-M63 WeakPolarHBondContact O-CB 3.47Å; L59-M63 VanDerWaalsContact O-CG 3.31Å; L59-M63 WeakPolarHBondContact O-CG 3.29Å; L59-M63 PolarHBondContact O-N 2.71Å; M63-L66 PolarHBondContact O-N 2.95Å; M63-Y67 WeakPolarHBondContact O-CB 3.47Å; M63-Y67 PolarHBondContact O-N 3.32Å; M63-M103 HydrophobicContact CB-CE 3.92Å; M63-M103 HydrophobicContact CG-CE 4.24Å; M63-M103 WeakPolarHBondContact O-CE 3.31Å; M63-M103 HydrophobicContact SD-CE 3.28Å; M63-M103 WeakPolarHBondContact SD-CE 3.13Å; M63-M103 HydrophobicContact SD-SD 4.16Å; M63-Y107 HydrophobicContact CB-CE2 4.28Å; M63-Y107 WeakPolarHBondContact CB-OH 3.22Å |
| 64 | L | 73.6 | Confident | 71.2 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.2 | -43.8 | 179.4 | -169.9 | 83.8 | 0 | 0 | 0 | 111.1 | F36 E39 F43 D60 V61 V62 L66 Y67 L68 Y107 | F36-L64 HydrophobicContact CD2-CD2 3.74Å; F36-L64 HydrophobicContact CD2-CG 4.08Å; F36-L64 HydrophobicContact CE2-CD2 3.53Å; F36-L64 HydrophobicContact CE2-CG 4.02Å; F36-L64 HydrophobicContact CZ-CD2 4.42Å; E39-L64 HydrophobicContact CB-CD1 3.97Å; E39-L64 HydrophobicContact CB-CD2 4.32Å; E39-L64 HydrophobicContact CG-CD1 3.51Å; E39-L64 HydrophobicContact CG-CD2 4.43Å; F43-L64 HydrophobicContact CD2-CD2 4.34Å; F43-L64 HydrophobicContact CE2-CB 4.35Å; F43-L64 HydrophobicContact CE2-CD1 4.19Å; F43-L64 HydrophobicContact CE2-CD2 4.03Å; F43-L64 HydrophobicContact CE2-CG 4.41Å; D60-L64 WeakPolarHBondContact O-CB 3.32Å; D60-L64 PolarHBondContact O-N 3.17Å; V61-L64 WeakPolarHBondContact O-CB 3.35Å; V61-L64 PolarHBondContact O-N 2.92Å; V62-L64 PolarHBondContact O-N 3.29Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-Y67 WeakPolarHBondContact O-CB 3.49Å; L64-Y67 PolarHBondContact O-N 2.86Å; L64-L68 PolarHBondContact O-N 3.5Å; L64-Y107 WeakPolarHBondContact CA-OH 3.28Å; L64-Y107 PolarHBondContact N-OH 3.45Å |
| 65 | L | 73.4 | Confident | 71.1 | Confident | 101 Ų | 101 | 54.2 Ų | 54.2 | 53% | 0.529 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 176.4 | -75.3 | 170.7 | 0 | 0 | 0 | 111.7 | F36 V61 V62 L68 G69 | F36-L65 HydrophobicContact CE2-CD2 4.29Å; F36-L65 HydrophobicContact CZ-CD2 4.12Å; V61-L65 HydrophobicContact CG1-CD1 4.44Å; V61-L65 PolarHBondContact O-N 2.62Å; V62-L65 PolarHBondContact O-N 2.78Å; L65-L68 PolarHBondContact O-N 3.45Å; L65-G69 PolarHBondContact O-N 2.7Å |
| 66 | L | 75.6 | Confident | 70.8 | Confident | 96 Ų | 96 | 56.8 Ų | 56.8 | 50% | 0.503 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 172.5 | -103.2 | 126 | 0 | 0 | 0 | 111.4 | V62 M63 L64 G69 I70 M103 | V62-L66 HydrophobicContact CG1-CD1 3.92Å; V62-L66 PolarHBondContact O-N 2.9Å; M63-L66 PolarHBondContact O-N 2.95Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L66-G69 PolarHBondContact O-N 2.93Å; L66-I70 WeakPolarHBondContact O-CG1 3.48Å; L66-I70 PolarHBondContact O-N 3.48Å; L66-M103 HydrophobicContact CB-CE 4.04Å |
| 67 | Y | 71.5 | Confident | 70.3 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 5% | 0.051 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -48.6 | 176.4 | -173.6 | -107.3 | 0 | 0 | 0 | 111.4 | M63 L64 G69 I70 E71 S100 M103 L125 | M63-Y67 WeakPolarHBondContact O-CB 3.47Å; M63-Y67 PolarHBondContact O-N 3.32Å; L64-Y67 WeakPolarHBondContact O-CB 3.49Å; L64-Y67 PolarHBondContact O-N 2.86Å; Y67-G69 VanDerWaalsContact C-N 3.29Å; Y67-G69 PolarHBondContact O-N 3.38Å; Y67-I70 PolarHBondContact O-N 3.16Å; Y67-E71 WeakPolarHBondContact O-CB 3.46Å; Y67-E71 PolarHBondContact O-N 3.38Å; Y67-E71 PolarHBondContact OH-OE1 2.83Å; Y67-E71 VanDerWaalsContact OH-OE1 3.1Å; Y67-S100 PolarHBondContact OH-OG 3.31Å; Y67-M103 HydrophobicContact CD2-CB 3.67Å; Y67-M103 HydrophobicContact CD2-CG 3.79Å; Y67-M103 HydrophobicContact CE2-CB 4.07Å; Y67-M103 HydrophobicContact CG-CG 4.43Å; Y67-L125 HydrophobicContact CE1-CD2 4.27Å; Y67-L125 VanDerWaalsContact OH-CD2 3.3Å; Y67-L125 WeakPolarHBondContact OH-CD2 3.37Å |
| 68 | L | 71.4 | Confident | 70 | Confident | 51 Ų | 51 | 55.2 Ų | 55.2 | 27% | 0.267 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.4 | -43.9 | 176.3 | -177.3 | 70.4 | 0 | 0 | 0 | 111.6 | F36 L64 L65 E71 V72 | F36-L68 HydrophobicContact CB-CD1 4.25Å; F36-L68 HydrophobicContact CD1-CD2 4.33Å; F36-L68 HydrophobicContact CD2-CB 4.09Å; F36-L68 HydrophobicContact CD2-CD1 4.01Å; F36-L68 HydrophobicContact CD2-CD2 3.8Å; F36-L68 HydrophobicContact CD2-CG 4.17Å; F36-L68 HydrophobicContact CE1-CD2 4.15Å; F36-L68 HydrophobicContact CE2-CB 4.15Å; F36-L68 HydrophobicContact CE2-CD2 3.61Å; F36-L68 HydrophobicContact CE2-CG 4.33Å; F36-L68 HydrophobicContact CG-CD1 4.11Å; F36-L68 HydrophobicContact CG-CD2 4.16Å; F36-L68 HydrophobicContact CZ-CD2 3.79Å; L64-L68 PolarHBondContact O-N 3.5Å; L65-L68 PolarHBondContact O-N 3.45Å; L68-E71 PolarHBondContact O-N 3.33Å; L68-V72 HydrophobicContact CD1-CG2 4.35Å; L68-V72 HydrophobicContact CG-CG2 4.34Å; L68-V72 WeakPolarHBondContact O-CB 3.44Å; L68-V72 VanDerWaalsContact O-CG2 3.25Å; L68-V72 WeakPolarHBondContact O-CG2 3.34Å; L68-V72 PolarHBondContact O-N 3.28Å |
| 69 | G | 72 | Confident | 69.3 | Low | 33 Ų | 33 | 53.8 Ų | 53.8 | 34% | 0.34 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L65 L66 Y67 E71 V72 I73 | L65-G69 PolarHBondContact O-N 2.7Å; L66-G69 PolarHBondContact O-N 2.93Å; Y67-G69 VanDerWaalsContact C-N 3.29Å; Y67-G69 PolarHBondContact O-N 3.38Å; G69-E71 VanDerWaalsContact C-N 3.32Å; G69-E71 PolarHBondContact O-N 2.7Å; G69-V72 PolarHBondContact O-N 3.39Å; G69-I73 WeakPolarHBondContact O-CB 3.43Å; G69-I73 WeakPolarHBondContact O-CD1 3.48Å; G69-I73 WeakPolarHBondContact O-CG1 3.41Å; G69-I73 PolarHBondContact O-N 3.44Å |
| 70 | I | 71.3 | Confident | 68.5 | Low | 36 Ų | 36 | 54.9 Ų | 54.9 | 19% | 0.185 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 176.2 | -65.7 | 167.6 | 0 | 0 | 0 | 110.2 | L66 Y67 I73 R74 L96 | L66-I70 WeakPolarHBondContact O-CG1 3.48Å; L66-I70 PolarHBondContact O-N 3.48Å; Y67-I70 PolarHBondContact O-N 3.16Å; I70-I73 PolarHBondContact O-N 2.98Å; I70-R74 WeakPolarHBondContact O-CB 3.43Å; I70-R74 PolarHBondContact O-N 3.1Å; I70-L96 HydrophobicContact CG2-CD2 3.94Å |
| 71 | E | 67.5 | Low | 67.6 | Low | 3 Ų | 3 | 53.6 Ų | 53.6 | 1% | 0.014 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | -178.8 | -140.1 | 71.5 | 173.9 | 0 | 0 | 112.5 | N32 Y67 L68 G69 R74 L75 | N32-E71 HydrophobicContact CB-CG 4.33Å; N32-E71 VanDerWaalsContact CG-CG 3.49Å; N32-E71 WeakPolarHBondContact OD1-CG 3.24Å; Y67-E71 WeakPolarHBondContact O-CB 3.46Å; Y67-E71 PolarHBondContact O-N 3.38Å; Y67-E71 PolarHBondContact OH-OE1 2.83Å; Y67-E71 VanDerWaalsContact OH-OE1 3.1Å; L68-E71 PolarHBondContact O-N 3.33Å; G69-E71 VanDerWaalsContact C-N 3.32Å; G69-E71 PolarHBondContact O-N 2.7Å; E71-R74 PolarHBondContact O-N 3.47Å; E71-R74 IonicContact OE1-CZ 3.13Å; E71-R74 IonicContact OE1-NH1 2.87Å; E71-R74 PolarHBondContact OE1-NH1 2.97Å; E71-R74 IonicContact OE1-NH2 2.62Å; E71-R74 PolarHBondContact OE1-NH2 2.95Å; E71-R74 IonicContact OE2-CZ 3.32Å; E71-R74 IonicContact OE2-NH1 2.62Å; E71-R74 PolarHBondContact OE2-NH1 3.34Å; E71-R74 IonicContact OE2-NH2 3.58Å; E71-L75 WeakPolarHBondContact O-CB 3.34Å; E71-L75 WeakPolarHBondContact O-CG 3.49Å; E71-L75 PolarHBondContact O-N 3Å |
| 72 | V | 69.4 | Low | 66.8 | Low | 85 Ų | 85 | 52.2 Ų | 52.2 | 52% | 0.515 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 176.1 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | L68 G69 R74 L75 F76 | L68-V72 HydrophobicContact CD1-CG2 4.35Å; L68-V72 HydrophobicContact CG-CG2 4.34Å; L68-V72 WeakPolarHBondContact O-CB 3.44Å; L68-V72 VanDerWaalsContact O-CG2 3.25Å; L68-V72 WeakPolarHBondContact O-CG2 3.34Å; L68-V72 PolarHBondContact O-N 3.28Å; G69-V72 PolarHBondContact O-N 3.39Å; V72-R74 VanDerWaalsContact C-N 3.33Å; V72-R74 PolarHBondContact O-N 3.31Å; V72-L75 PolarHBondContact O-N 3.49Å; V72-F76 VanDerWaalsContact O-CB 3.23Å; V72-F76 WeakPolarHBondContact O-CB 3.49Å; V72-F76 PolarHBondContact O-N 3.16Å |
| 73 | I | 67.1 | Low | 65.5 | Low | 86 Ų | 86 | 52.9 Ų | 52.9 | 44% | 0.441 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 176.2 | -67.1 | 166.1 | 0 | 0 | 0 | 109.7 | G69 I70 F76 F77 L96 | G69-I73 WeakPolarHBondContact O-CB 3.43Å; G69-I73 WeakPolarHBondContact O-CD1 3.48Å; G69-I73 WeakPolarHBondContact O-CG1 3.41Å; G69-I73 PolarHBondContact O-N 3.44Å; I70-I73 PolarHBondContact O-N 2.98Å; I73-F76 PolarHBondContact O-N 3.39Å; I73-F77 HydrophobicContact CG2-CD2 3.72Å; I73-F77 HydrophobicContact CG2-CE2 3.94Å; I73-F77 WeakPolarHBondContact O-CB 3.34Å; I73-F77 WeakPolarHBondContact O-CD2 3.11Å; I73-F77 PolarHBondContact O-N 3.32Å; I73-L96 HydrophobicContact CB-CD2 4.24Å; I73-L96 HydrophobicContact CG2-CD2 3.91Å |
| 74 | R | 67.7 | Low | 64.5 | Low | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.019 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -49 | 178.7 | -167.2 | -176.2 | 72.7 | -136.2 | -1 | 112.1 | N28 I70 E71 V72 F76 F77 G78 L96 S100 | N28-R74 PolarHBondContact ND2-NH2 2.86Å; I70-R74 WeakPolarHBondContact O-CB 3.43Å; I70-R74 PolarHBondContact O-N 3.1Å; E71-R74 PolarHBondContact O-N 3.47Å; E71-R74 IonicContact OE1-CZ 3.13Å; E71-R74 IonicContact OE1-NH1 2.87Å; E71-R74 PolarHBondContact OE1-NH1 2.97Å; E71-R74 IonicContact OE1-NH2 2.62Å; E71-R74 PolarHBondContact OE1-NH2 2.95Å; E71-R74 IonicContact OE2-CZ 3.32Å; E71-R74 IonicContact OE2-NH1 2.62Å; E71-R74 PolarHBondContact OE2-NH1 3.34Å; E71-R74 IonicContact OE2-NH2 3.58Å; V72-R74 VanDerWaalsContact C-N 3.33Å; V72-R74 PolarHBondContact O-N 3.31Å; R74-F76 VanDerWaalsContact C-N 3.33Å; R74-F76 PolarHBondContact O-N 2.99Å; R74-F77 PolarHBondContact O-N 3.25Å; R74-G78 PolarHBondContact O-N 3.28Å; R74-L96 HydrophobicContact CB-CB 4.22Å; R74-L96 HydrophobicContact CB-CD2 4.03Å; R74-L96 HydrophobicContact CG-CB 4Å; R74-S100 VanDerWaalsContact NH1-CB 3.31Å; R74-S100 PolarHBondContact NH1-OG 3.03Å |
| 75 | L | 65.8 | Low | 63.5 | Low | 20 Ų | 20 | 57.8 Ų | 57.8 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 179 | -72.1 | 167.3 | 0 | 0 | 0 | 111.9 | F25 N28 A29 E71 V72 T79 | F25-L75 HydrophobicContact CD1-CD2 4.14Å; N28-L75 HydrophobicContact CB-CD2 4.39Å; A29-L75 HydrophobicContact CB-CD1 3.84Å; A29-L75 HydrophobicContact CB-CD2 4.27Å; E71-L75 WeakPolarHBondContact O-CB 3.34Å; E71-L75 WeakPolarHBondContact O-CG 3.49Å; E71-L75 PolarHBondContact O-N 3Å; V72-L75 PolarHBondContact O-N 3.49Å; L75-T79 WeakPolarHBondContact O-CB 3.48Å; L75-T79 PolarHBondContact O-N 2.91Å; L75-T79 PolarHBondContact O-OG1 2.9Å |
| 76 | F | 65.4 | Low | 62.3 | Low | 127 Ų | 127 | 61.8 Ų | 61.8 | 56% | 0.557 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.3 | -47 | 176.7 | -171.4 | -97.3 | 0 | 0 | 0 | 111.6 | V72 I73 R74 K80 | V72-F76 VanDerWaalsContact O-CB 3.23Å; V72-F76 WeakPolarHBondContact O-CB 3.49Å; V72-F76 PolarHBondContact O-N 3.16Å; I73-F76 PolarHBondContact O-N 3.39Å; R74-F76 VanDerWaalsContact C-N 3.33Å; R74-F76 PolarHBondContact O-N 2.99Å; F76-K80 HydrophobicContact CD1-CG 4.42Å; F76-K80 HydrophobicContact CE1-CG 4.22Å; F76-K80 HydrophobicContact CZ-CG 4.38Å; F76-K80 WeakPolarHBondContact O-CB 2.93Å; F76-K80 WeakPolarHBondContact O-CG 3.4Å; F76-K80 PolarHBondContact O-N 3.46Å; F76-K80 VanDerWaalsContact O-N 3.09Å |
| 77 | F | 60.3 | Low | 60.8 | Low | 86 Ų | 86 | 62.8 Ų | 62.8 | 38% | 0.377 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.7 | -36.1 | 176.7 | -88.2 | -86.8 | 0 | 0 | 0 | 112.8 | I73 R74 G81 I92 | I73-F77 HydrophobicContact CG2-CD2 3.72Å; I73-F77 HydrophobicContact CG2-CE2 3.94Å; I73-F77 WeakPolarHBondContact O-CB 3.34Å; I73-F77 WeakPolarHBondContact O-CD2 3.11Å; I73-F77 PolarHBondContact O-N 3.32Å; R74-F77 PolarHBondContact O-N 3.25Å; F77-G81 WeakPolarHBondContact O-CA 3.44Å; F77-G81 PolarHBondContact O-N 2.88Å; F77-I92 HydrophobicContact CD1-CG2 4.47Å |
| 78 | G | 60.4 | Low | 59.5 | Low | 4 Ų | 4 | 68.6 Ų | 68.6 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.8 | -48 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R74 G81 N82 | R74-G78 PolarHBondContact O-N 3.28Å; G78-G81 PolarHBondContact O-N 3.29Å; G78-N82 PolarHBondContact O-N 3.5Å; G78-N82 VanDerWaalsContact O-N 3.1Å |
| 79 | T | 58 | Low | 58.4 | Low | 61 Ų | 61 | 67 Ų | 67 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 178.2 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | L75 G81 L83 | L75-T79 WeakPolarHBondContact O-CB 3.48Å; L75-T79 PolarHBondContact O-N 2.91Å; L75-T79 PolarHBondContact O-OG1 2.9Å; T79-G81 VanDerWaalsContact C-N 3.33Å; T79-G81 PolarHBondContact O-N 3.17Å; T79-L83 HydrophobicContact CG2-CD1 4.44Å; T79-L83 WeakPolarHBondContact O-CD1 3.21Å; T79-L83 PolarHBondContact O-N 3.04Å |
| 80 | K | 56.3 | Low | 57.6 | Low | 123 Ų | 123 | 66.3 Ų | 66.3 | 54% | 0.535 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69 | -30.8 | 176.9 | -68 | -72.1 | -177 | 176.3 | 0 | 112.5 | F76 C84 | F76-K80 HydrophobicContact CD1-CG 4.42Å; F76-K80 HydrophobicContact CE1-CG 4.22Å; F76-K80 HydrophobicContact CZ-CG 4.38Å; F76-K80 WeakPolarHBondContact O-CB 2.93Å; F76-K80 WeakPolarHBondContact O-CG 3.4Å; F76-K80 PolarHBondContact O-N 3.46Å; F76-K80 VanDerWaalsContact O-N 3.09Å; K80-C84 PolarHBondContact O-N 3.45Å |
| 81 | G | 54.8 | Low | 56.8 | Low | 3 Ų | 3 | 68.1 Ų | 68.1 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.7 | -42.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | F77 G78 T79 L83 C84 Q85 | F77-G81 WeakPolarHBondContact O-CA 3.44Å; F77-G81 PolarHBondContact O-N 2.88Å; G78-G81 PolarHBondContact O-N 3.29Å; T79-G81 VanDerWaalsContact C-N 3.33Å; T79-G81 PolarHBondContact O-N 3.17Å; G81-L83 VanDerWaalsContact C-N 3.33Å; G81-L83 PolarHBondContact O-N 3.35Å; G81-C84 PolarHBondContact O-N 3.19Å; G81-Q85 PolarHBondContact O-N 3.25Å |
| 82 | N | 54.2 | Low | 56.3 | Low | 18 Ų | 18 | 71.1 Ų | 71.1 | 10% | 0.096 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 175.3 | -170.4 | 47.3 | 0 | 0 | 0 | 111.6 | S17 E22 G78 | S17-N82 PolarHBondContact OG-ND2 2.81Å; E22-N82 PolarHBondContact OE2-ND2 3.19Å; G78-N82 PolarHBondContact O-N 3.5Å; G78-N82 VanDerWaalsContact O-N 3.1Å |
| 83 | L | 49.5 | Very low | 55.7 | Low | 88 Ų | 88 | 67.1 Ų | 67.1 | 46% | 0.461 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.3 | -30.3 | 179.3 | -83.1 | 157 | 0 | 0 | 0 | 114.3 | T79 G81 | T79-L83 HydrophobicContact CG2-CD1 4.44Å; T79-L83 WeakPolarHBondContact O-CD1 3.21Å; T79-L83 PolarHBondContact O-N 3.04Å; G81-L83 VanDerWaalsContact C-N 3.33Å; G81-L83 PolarHBondContact O-N 3.35Å |
| 84 | C | 49.6 | Very low | 55.3 | Low | 93 Ų | 93 | 65.3 Ų | 65.3 | 63% | 0.628 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -95.7 | -3.2 | -178.5 | -96.2 | 0 | 0 | 0 | 0 | 114.7 | K80 G81 R86 | K80-C84 PolarHBondContact O-N 3.45Å; G81-C84 PolarHBondContact O-N 3.19Å; C84-R86 PolarHBondContact O-N 3.43Å |
| 85 | Q | 51.5 | Low | 55.1 | Low | 82 Ų | 82 | 68 Ų | 68 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 31.4 | 175.5 | -145.9 | 173.5 | -32.1 | 0 | 0 | 113.1 | K14 G81 F143 | K14-Q85 PolarHBondContact O-NE2 3.06Å; K14-Q85 VanDerWaalsContact O-NE2 3.07Å; G81-Q85 PolarHBondContact O-N 3.25Å; Q85-F143 HydrophobicContact CG-CE1 3.99Å; Q85-F143 HydrophobicContact CG-CZ 3.73Å |
| 86 | R | 49 | Very low | 54.8 | Low | 185 Ų | 185 | 68.8 Ų | 68.8 | 70% | 0.698 | 35% | 0.353 | S | S | * | . | trans | -105.7 | 136.9 | 178.4 | -79.5 | -158.8 | -179.6 | -155.6 | 3 | 110.2 | C84 M88 P89 | C84-R86 PolarHBondContact O-N 3.43Å; R86-M88 PolarHBondContact O-N 3.45Å; R86-P89 HydrophobicContact CB-CG 4.4Å; R86-P89 WeakPolarHBondContact O-CD 3.31Å; R86-P89 WeakPolarHBondContact O-CG 3.5Å | ||
| 87 | K | 44.9 | Very low | 54.7 | Low | 116 Ų | 116 | 63 Ų | 63 | 50% | 0.504 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.7 | -22.6 | 178 | -65.6 | -179.7 | 178 | 178.5 | 0 | 114.2 | S91 | K87-S91 PolarHBondContact O-N 2.97Å |
| 88 | M | 43.3 | Very low | 54.7 | Low | 135 Ų | 135 | 66.4 Ų | 66.4 | 67% | 0.665 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.8 | -53.6 | -176.4 | -71.4 | -72.2 | -90.3 | 0 | 0 | 114.2 | R86 L90 S91 I92 | R86-M88 PolarHBondContact O-N 3.45Å; M88-L90 VanDerWaalsContact C-N 3.27Å; M88-L90 PolarHBondContact O-N 3.36Å; M88-S91 PolarHBondContact O-N 3.02Å; M88-I92 WeakPolarHBondContact O-CD1 3.3Å; M88-I92 WeakPolarHBondContact O-CG1 3.38Å; M88-I92 PolarHBondContact O-N 2.99Å |
| 89 | P | 49 | Very low | 54.8 | Low | 19 Ų | 19 | 68.7 Ų | 68.7 | 12% | 0.123 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.1 | -27.9 | 180 | 21.5 | -33.8 | 0 | 0 | 0 | 114 | R86 I92 S93 | R86-P89 HydrophobicContact CB-CG 4.4Å; R86-P89 WeakPolarHBondContact O-CD 3.31Å; R86-P89 WeakPolarHBondContact O-CG 3.5Å; P89-I92 PolarHBondContact O-N 3.26Å; P89-S93 PolarHBondContact O-N 2.62Å |
| 90 | L | 54.9 | Low | 55.1 | Low | 18 Ų | 18 | 66 Ų | 66 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -74.7 | -31.8 | 178.1 | -137.7 | 129.7 | 0 | 0 | 0 | 112.3 | M88 I92 S93 V94 E136 L140 | M88-L90 VanDerWaalsContact C-N 3.27Å; M88-L90 PolarHBondContact O-N 3.36Å; L90-I92 VanDerWaalsContact C-N 3.3Å; L90-S93 WeakPolarHBondContact CA-OG 3.5Å; L90-S93 PolarHBondContact O-OG 2.87Å; L90-V94 VanDerWaalsContact O-CG2 3.32Å; L90-V94 WeakPolarHBondContact O-CG2 3.38Å; L90-V94 PolarHBondContact O-N 2.87Å; L90-E136 HydrophobicContact CD2-CB 4.01Å; L90-E136 HydrophobicContact CD2-CG 4.21Å; L90-L140 HydrophobicContact CD2-CD1 3.87Å; L90-L140 HydrophobicContact CD2-CD2 4.04Å; L90-L140 HydrophobicContact CD2-CG 3.61Å |
| 91 | S | 53.3 | Low | 55.4 | Low | 74 Ų | 74 | 62.1 Ų | 62.1 | 52% | 0.517 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.9 | -28 | 169.9 | -172.6 | 0 | 0 | 0 | 0 | 112.2 | K87 M88 A95 | K87-S91 PolarHBondContact O-N 2.97Å; M88-S91 PolarHBondContact O-N 3.02Å; S91-A95 WeakPolarHBondContact O-CB 3.29Å; S91-A95 PolarHBondContact O-N 3.41Å |
| 92 | I | 58 | Low | 55.9 | Low | 65 Ų | 65 | 68 Ų | 68 | 33% | 0.333 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -75.8 | -38.4 | 178.1 | -66.4 | 164.9 | 0 | 0 | 0 | 110.1 | F77 M88 P89 L90 V94 A95 L96 | F77-I92 HydrophobicContact CD1-CG2 4.47Å; M88-I92 WeakPolarHBondContact O-CD1 3.3Å; M88-I92 WeakPolarHBondContact O-CG1 3.38Å; M88-I92 PolarHBondContact O-N 2.99Å; P89-I92 PolarHBondContact O-N 3.26Å; L90-I92 VanDerWaalsContact C-N 3.3Å; I92-V94 VanDerWaalsContact C-N 3.35Å; I92-V94 PolarHBondContact O-N 3.04Å; I92-A95 PolarHBondContact O-N 3.34Å; I92-L96 HydrophobicContact CG2-CD1 3.56Å; I92-L96 WeakPolarHBondContact O-CB 3.33Å; I92-L96 WeakPolarHBondContact O-CD1 3.47Å; I92-L96 PolarHBondContact O-N 2.95Å |
| 93 | S | 56.8 | Low | 56.4 | Low | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.007 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 172.6 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | P89 L90 L96 T97 E136 | P89-S93 PolarHBondContact O-N 2.62Å; L90-S93 WeakPolarHBondContact CA-OG 3.5Å; L90-S93 PolarHBondContact O-OG 2.87Å; S93-L96 PolarHBondContact O-N 3.27Å; S93-T97 PolarHBondContact O-N 2.99Å; S93-T97 PolarHBondContact O-OG1 2.99Å; S93-E136 VanDerWaalsContact CB-OE1 3.29Å; S93-E136 WeakPolarHBondContact CB-OE1 3.19Å; S93-E136 PolarHBondContact OG-OE1 3.1Å |
| 94 | V | 59 | Low | 56.9 | Low | 49 Ų | 49 | 64.7 Ų | 64.7 | 30% | 0.297 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 171.6 | 174.7 | 0 | 0 | 0 | 0 | 112.3 | L90 I92 L96 T97 E136 | L90-V94 VanDerWaalsContact O-CG2 3.32Å; L90-V94 WeakPolarHBondContact O-CG2 3.38Å; L90-V94 PolarHBondContact O-N 2.87Å; I92-V94 VanDerWaalsContact C-N 3.35Å; I92-V94 PolarHBondContact O-N 3.04Å; V94-L96 VanDerWaalsContact C-N 3.29Å; V94-L96 PolarHBondContact O-N 2.85Å; V94-T97 VanDerWaalsContact C-OG1 3.29Å; V94-T97 WeakPolarHBondContact CA-OG1 3.33Å; V94-T97 PolarHBondContact O-N 2.95Å; V94-T97 PolarHBondContact O-OG1 3.38Å; V94-E136 VanDerWaalsContact CG2-OE2 3.24Å; V94-E136 WeakPolarHBondContact CG2-OE2 3.24Å |
| 95 | A | 63.3 | Low | 57.4 | Low | 62 Ų | 62 | 62.7 Ų | 62.7 | 51% | 0.512 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.7 | -30.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | S91 I92 P99 | S91-A95 WeakPolarHBondContact O-CB 3.29Å; S91-A95 PolarHBondContact O-N 3.41Å; I92-A95 PolarHBondContact O-N 3.34Å; A95-P99 WeakPolarHBondContact O-CD 3.46Å |
| 96 | L | 59.8 | Low | 58 | Low | 35 Ų | 35 | 65.4 Ų | 65.4 | 18% | 0.183 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -82.5 | -19.7 | 176.1 | -92.3 | 96.9 | 0 | 0 | 0 | 114.1 | I70 I73 R74 I92 S93 V94 F98 P99 S100 | I70-L96 HydrophobicContact CG2-CD2 3.94Å; I73-L96 HydrophobicContact CB-CD2 4.24Å; I73-L96 HydrophobicContact CG2-CD2 3.91Å; R74-L96 HydrophobicContact CB-CB 4.22Å; R74-L96 HydrophobicContact CB-CD2 4.03Å; R74-L96 HydrophobicContact CG-CB 4Å; I92-L96 HydrophobicContact CG2-CD1 3.56Å; I92-L96 WeakPolarHBondContact O-CB 3.33Å; I92-L96 WeakPolarHBondContact O-CD1 3.47Å; I92-L96 PolarHBondContact O-N 2.95Å; S93-L96 PolarHBondContact O-N 3.27Å; V94-L96 VanDerWaalsContact C-N 3.29Å; V94-L96 PolarHBondContact O-N 2.85Å; L96-F98 VanDerWaalsContact C-N 3.3Å; L96-P99 WeakPolarHBondContact O-CD 3.3Å; L96-P99 WeakPolarHBondContact O-CG 3.47Å; L96-S100 WeakPolarHBondContact O-CB 3.24Å; L96-S100 PolarHBondContact O-N 2.96Å |
| 97 | T | 63.5 | Low | 58.4 | Low | 7 Ų | 7 | 57.4 Ų | 57.4 | 4% | 0.043 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.4 | -28.8 | 171.6 | 18.3 | 0 | 0 | 0 | 0 | 112 | S93 V94 S100 A101 L133 | S93-T97 PolarHBondContact O-N 2.99Å; S93-T97 PolarHBondContact O-OG1 2.99Å; V94-T97 VanDerWaalsContact C-OG1 3.29Å; V94-T97 WeakPolarHBondContact CA-OG1 3.33Å; V94-T97 PolarHBondContact O-N 2.95Å; V94-T97 PolarHBondContact O-OG1 3.38Å; T97-S100 PolarHBondContact O-N 3.26Å; T97-A101 VanDerWaalsContact O-CB 3.25Å; T97-A101 WeakPolarHBondContact O-CB 3.37Å; T97-A101 PolarHBondContact O-N 3.4Å; T97-L133 HydrophobicContact CG2-CD1 4.5Å; T97-L133 HydrophobicContact CG2-CD2 4.08Å; T97-L133 HydrophobicContact CG2-CG 4.17Å; T97-L133 WeakPolarHBondContact OG1-CD2 3.45Å |
| 98 | F | 60.3 | Low | 58.7 | Low | 156 Ų | 156 | 54.8 Ų | 54.8 | 68% | 0.684 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.6 | -53.9 | 175.9 | -128.3 | -86.9 | 0 | 0 | 0 | 114 | L96 S100 A101 M102 | L96-F98 VanDerWaalsContact C-N 3.3Å; F98-S100 VanDerWaalsContact C-N 3.32Å; F98-S100 PolarHBondContact O-N 3.06Å; F98-A101 PolarHBondContact O-N 3.45Å; F98-M102 PolarHBondContact O-N 2.99Å |
| 99 | P | 60.9 | Low | 59 | Low | 53 Ų | 53 | 55.2 Ų | 55.2 | 34% | 0.344 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.7 | -33.1 | 175.1 | 23.8 | -31 | 0 | 0 | 0 | 112.1 | A95 L96 M102 M103 | A95-P99 WeakPolarHBondContact O-CD 3.46Å; L96-P99 WeakPolarHBondContact O-CD 3.3Å; L96-P99 WeakPolarHBondContact O-CG 3.47Å; P99-M102 PolarHBondContact O-N 3.2Å; P99-M103 WeakPolarHBondContact O-CB 3.41Å; P99-M103 PolarHBondContact O-N 3.48Å |
| 100 | S | 65.1 | Low | 59.1 | Low | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.2 | -49.5 | 172.3 | 155.3 | 0 | 0 | 0 | 0 | 112.1 | Y67 R74 L96 T97 F98 M102 M103 A104 | Y67-S100 PolarHBondContact OH-OG 3.31Å; R74-S100 VanDerWaalsContact NH1-CB 3.31Å; R74-S100 PolarHBondContact NH1-OG 3.03Å; L96-S100 WeakPolarHBondContact O-CB 3.24Å; L96-S100 PolarHBondContact O-N 2.96Å; T97-S100 PolarHBondContact O-N 3.26Å; F98-S100 VanDerWaalsContact C-N 3.32Å; F98-S100 PolarHBondContact O-N 3.06Å; S100-M102 PolarHBondContact O-N 3.37Å; S100-M103 PolarHBondContact O-N 2.88Å; S100-A104 PolarHBondContact O-N 3.46Å |
| 101 | A | 63.2 | Low | 58.9 | Low | 42 Ų | 42 | 59.6 Ų | 59.6 | 35% | 0.347 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T97 F98 A104 S105 | T97-A101 VanDerWaalsContact O-CB 3.25Å; T97-A101 WeakPolarHBondContact O-CB 3.37Å; T97-A101 PolarHBondContact O-N 3.4Å; F98-A101 PolarHBondContact O-N 3.45Å; A101-A104 PolarHBondContact O-N 3.06Å; A101-S105 WeakPolarHBondContact O-CB 3.48Å; A101-S105 PolarHBondContact O-N 3.12Å; A101-S105 PolarHBondContact O-OG 2.93Å |
| 102 | M | 65.6 | Low | 58.5 | Low | 127 Ų | 127 | 61.2 Ų | 61.2 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.7 | -46.2 | 171.9 | -102.8 | 175.6 | 66.7 | 0 | 0 | 111.5 | F98 P99 S100 S105 Y106 | F98-M102 PolarHBondContact O-N 2.99Å; P99-M102 PolarHBondContact O-N 3.2Å; S100-M102 PolarHBondContact O-N 3.37Å; M102-S105 PolarHBondContact O-N 2.88Å; M102-S105 PolarHBondContact O-OG 3.22Å; M102-Y106 PolarHBondContact O-N 3.03Å |
| 103 | M | 64.3 | Low | 58.1 | Low | 31 Ų | 31 | 64.6 Ų | 64.6 | 15% | 0.153 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 179.8 | -149.7 | 87.8 | 157.7 | 0 | 0 | 111.8 | M63 L66 Y67 P99 S100 S105 Y106 Y107 | M63-M103 HydrophobicContact CB-CE 3.92Å; M63-M103 HydrophobicContact CG-CE 4.24Å; M63-M103 WeakPolarHBondContact O-CE 3.31Å; M63-M103 HydrophobicContact SD-CE 3.28Å; M63-M103 WeakPolarHBondContact SD-CE 3.13Å; M63-M103 HydrophobicContact SD-SD 4.16Å; L66-M103 HydrophobicContact CB-CE 4.04Å; Y67-M103 HydrophobicContact CD2-CB 3.67Å; Y67-M103 HydrophobicContact CD2-CG 3.79Å; Y67-M103 HydrophobicContact CE2-CB 4.07Å; Y67-M103 HydrophobicContact CG-CG 4.43Å; P99-M103 WeakPolarHBondContact O-CB 3.41Å; P99-M103 PolarHBondContact O-N 3.48Å; S100-M103 PolarHBondContact O-N 2.88Å; M103-S105 VanDerWaalsContact C-N 3.33Å; M103-S105 PolarHBondContact O-N 3.46Å; M103-Y106 WeakPolarHBondContact O-CA 3.01Å; M103-Y106 VanDerWaalsContact O-CB 3.24Å; M103-Y106 WeakPolarHBondContact O-CB 3.32Å; M103-Y106 PolarHBondContact O-N 2.97Å; M103-Y106 VanDerWaalsContact O-N 3.08Å; M103-Y107 HydrophobicContact CG-CD2 4.45Å; M103-Y107 HydrophobicContact CG-CE2 4.22Å; M103-Y107 WeakPolarHBondContact O-CD2 3.47Å; M103-Y107 PolarHBondContact O-N 3.37Å |
| 104 | A | 60.3 | Low | 58 | Low | 6 Ų | 6 | 67.6 Ų | 67.6 | 5% | 0.05 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S100 A101 Y106 Y107 L108 | S100-A104 PolarHBondContact O-N 3.46Å; A101-A104 PolarHBondContact O-N 3.06Å; A104-Y106 VanDerWaalsContact C-N 3.29Å; A104-Y106 PolarHBondContact O-N 2.93Å; A104-Y107 PolarHBondContact O-N 3.33Å; A104-L108 PolarHBondContact O-N 3.36Å |
| 105 | S | 59.3 | Low | 58.2 | Low | 50 Ų | 50 | 68.3 Ų | 68.3 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.9 | -31.8 | 173.9 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | A101 M102 M103 L108 L109 | A101-S105 WeakPolarHBondContact O-CB 3.48Å; A101-S105 PolarHBondContact O-N 3.12Å; A101-S105 PolarHBondContact O-OG 2.93Å; M102-S105 PolarHBondContact O-N 2.88Å; M102-S105 PolarHBondContact O-OG 3.22Å; M103-S105 VanDerWaalsContact C-N 3.33Å; M103-S105 PolarHBondContact O-N 3.46Å; S105-L108 PolarHBondContact O-N 3.08Å; S105-L109 WeakPolarHBondContact O-CB 3.36Å; S105-L109 PolarHBondContact O-N 3.34Å |
| 106 | Y | 64.6 | Low | 58.6 | Low | 139 Ų | 139 | 76 Ų | 76 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 176 | -137.4 | -92.2 | 0 | 0 | 0 | 111.3 | M102 M103 A104 L110 | M102-Y106 PolarHBondContact O-N 3.03Å; M103-Y106 WeakPolarHBondContact O-CA 3.01Å; M103-Y106 VanDerWaalsContact O-CB 3.24Å; M103-Y106 WeakPolarHBondContact O-CB 3.32Å; M103-Y106 PolarHBondContact O-N 2.97Å; M103-Y106 VanDerWaalsContact O-N 3.08Å; A104-Y106 VanDerWaalsContact C-N 3.29Å; A104-Y106 PolarHBondContact O-N 2.93Å; Y106-L110 HydrophobicContact CD1-CB 4.28Å; Y106-L110 HydrophobicContact CD1-CD2 4.36Å; Y106-L110 HydrophobicContact CE1-CB 4.36Å; Y106-L110 HydrophobicContact CE1-CD2 3.65Å; Y106-L110 HydrophobicContact CE1-CG 4.46Å; Y106-L110 WeakPolarHBondContact O-CB 3.45Å; Y106-L110 PolarHBondContact O-N 2.91Å |
| 107 | Y | 56.4 | Low | 59 | Low | 18 Ų | 18 | 78.4 Ų | 78.4 | 7% | 0.071 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 174.2 | -82.1 | -73.2 | 0 | 0 | 0 | 112.8 | F43 D60 M63 L64 M103 A104 Q111 | F43-Y107 HydrophobicContact CZ-CE1 4.46Å; D60-Y107 PolarHBondContact O-OH 3.15Å; M63-Y107 HydrophobicContact CB-CE2 4.28Å; M63-Y107 WeakPolarHBondContact CB-OH 3.22Å; L64-Y107 WeakPolarHBondContact CA-OH 3.28Å; L64-Y107 PolarHBondContact N-OH 3.45Å; M103-Y107 HydrophobicContact CG-CD2 4.45Å; M103-Y107 HydrophobicContact CG-CE2 4.22Å; M103-Y107 WeakPolarHBondContact O-CD2 3.47Å; M103-Y107 PolarHBondContact O-N 3.37Å; A104-Y107 PolarHBondContact O-N 3.33Å; Y107-Q111 VanDerWaalsContact O-CB 3.24Å; Y107-Q111 WeakPolarHBondContact O-CB 3.35Å; Y107-Q111 PolarHBondContact O-OE1 3.44Å |
| 108 | L | 51.7 | Low | 59.3 | Low | 60 Ų | 60 | 78.2 Ų | 78.2 | 31% | 0.314 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.7 | -36.5 | 178.2 | -104.2 | 158.9 | 0 | 0 | 0 | 114.2 | A104 S105 N122 L126 | A104-L108 PolarHBondContact O-N 3.36Å; S105-L108 PolarHBondContact O-N 3.08Å; L108-N122 HydrophobicContact CD1-CB 3.84Å; L108-N122 HydrophobicContact CG-CB 4.01Å; L108-L126 HydrophobicContact CD1-CD1 3.78Å |
| 109 | L | 50.6 | Low | 59.7 | Low | 145 Ų | 145 | 72.6 Ų | 72.6 | 76% | 0.759 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -104.7 | -32.2 | -169.2 | -69.2 | 170.2 | 0 | 0 | 0 | 114.5 | S105 | S105-L109 WeakPolarHBondContact O-CB 3.36Å; S105-L109 PolarHBondContact O-N 3.34Å |
| 110 | L | 51.3 | Low | 60.4 | Low | 109 Ų | 109 | 75.2 Ų | 75.2 | 57% | 0.571 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -101 | -8.9 | -174.3 | -97.3 | 84.2 | 0 | 0 | 0 | 114.5 | Y106 T112 | Y106-L110 HydrophobicContact CD1-CB 4.28Å; Y106-L110 HydrophobicContact CD1-CD2 4.36Å; Y106-L110 HydrophobicContact CE1-CB 4.36Å; Y106-L110 HydrophobicContact CE1-CD2 3.65Å; Y106-L110 HydrophobicContact CE1-CG 4.46Å; Y106-L110 WeakPolarHBondContact O-CB 3.45Å; Y106-L110 PolarHBondContact O-N 2.91Å; L110-T112 PolarHBondContact O-N 2.83Å |
| 111 | Q | 49.1 | Very low | 60.9 | Low | 19 Ų | 19 | 75.8 Ų | 75.8 | 9% | 0.089 | 38% | 0.383 | C | S | . | . | trans | -74.5 | 120.6 | 179.7 | -157.5 | 174 | -5.1 | 0 | 0 | 110.5 | Y107 Y113 V114 E118 | Y107-Q111 VanDerWaalsContact O-CB 3.24Å; Y107-Q111 WeakPolarHBondContact O-CB 3.35Å; Y107-Q111 PolarHBondContact O-OE1 3.44Å; Q111-Y113 PolarHBondContact O-N 2.76Å; Q111-V114 HydrophobicContact CB-CG2 4.25Å; Q111-E118 PolarHBondContact NE2-OE1 3.36Å | ||
| 112 | T | 46 | Very low | 61.3 | Low | 109 Ų | 109 | 74 Ų | 74 | 67% | 0.669 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -69.6 | -17.1 | -168.8 | -25.6 | 0 | 0 | 0 | 0 | 114 | L110 | L110-T112 PolarHBondContact O-N 2.83Š|
| 113 | Y | 49.4 | Very low | 61.7 | Low | 136 Ų | 136 | 69.7 Ų | 69.7 | 53% | 0.533 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -138.8 | 83.7 | 174.4 | -77.9 | -92.5 | 0 | 0 | 0 | 109.6 | K46 L50 Y52 Q111 L115 | K46-Y113 PolarHBondContact NZ-O 2.89Å; L50-Y113 HydrophobicContact CD2-CD1 4.23Å; L50-Y113 HydrophobicContact CD2-CD2 4.41Å; L50-Y113 HydrophobicContact CD2-CE1 4.18Å; L50-Y113 HydrophobicContact CD2-CE2 4.34Å; L50-Y113 HydrophobicContact CD2-CG 4.35Å; Y52-Y113 AromaticContact CE2-CD2 3.58Å; Y52-Y113 HydrophobicContact CE2-CD2 3.58Å; Y52-Y113 HydrophobicContact CE2-CE2 4.13Å; Y52-Y113 HydrophobicContact CE2-CG 4.27Å; Y52-Y113 AromaticContact CZ-CD2 3.89Å; Y52-Y113 WeakPolarHBondContact OH-CD2 3.4Å; Q111-Y113 PolarHBondContact O-N 2.76Å; Y113-L115 PolarHBondContact O-N 3.02Å |
| 114 | V | 54.9 | Low | 62.3 | Low | 64 Ų | 64 | 71.5 Ų | 71.5 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | trans | -73.3 | 108.5 | 172.5 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | Q111 A119 | Q111-V114 HydrophobicContact CB-CG2 4.25Å; V114-A119 HydrophobicContact CG1-CB 3.98Å | ||
| 115 | L | 63.1 | Low | 62.9 | Low | 64 Ų | 64 | 71.4 Ų | 71.4 | 34% | 0.335 | 36% | 0.364 | S | S | . | . | trans | -68.4 | 143.9 | 167.1 | -106.5 | 68.7 | 0 | 0 | 0 | 108.6 | Y113 L117 E118 A119 | Y113-L115 PolarHBondContact O-N 3.02Å; L115-L117 PolarHBondContact O-N 3.27Å; L115-E118 HydrophobicContact CB-CG 4.28Å; L115-E118 WeakPolarHBondContact CB-OE2 3.25Å; L115-E118 PolarHBondContact N-OE2 2.93Å; L115-E118 WeakPolarHBondContact O-CB 3.45Å; L115-E118 PolarHBondContact O-N 2.85Å; L115-A119 PolarHBondContact O-N 3.06Å | ||
| 116 | R | 72.3 | Confident | 63.5 | Low | 223 Ų | 223 | 73.2 Ų | 73.2 | 84% | 0.842 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -55.3 | -29.2 | 177.9 | -68 | -171.2 | 173.5 | -151.1 | -1.6 | 112.9 | I120 | R116-I120 WeakPolarHBondContact O-CD1 3.46Å; R116-I120 VanDerWaalsContact O-CG1 3.3Å; R116-I120 WeakPolarHBondContact O-CG1 3.47Å; R116-I120 PolarHBondContact O-N 2.88Å |
| 117 | L | 66.3 | Low | 64.1 | Low | 86 Ų | 86 | 73.8 Ų | 73.8 | 45% | 0.45 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.1 | -45.3 | 177.2 | -158.8 | 109.5 | 0 | 0 | 0 | 112 | L38 I42 L115 A119 I120 M121 | L38-L117 HydrophobicContact CD2-CD2 3.91Å; I42-L117 HydrophobicContact CD1-CD2 3.65Å; I42-L117 HydrophobicContact CG1-CD2 4.47Å; L115-L117 PolarHBondContact O-N 3.27Å; L117-A119 VanDerWaalsContact C-N 3.29Å; L117-A119 PolarHBondContact O-N 2.94Å; L117-I120 PolarHBondContact O-N 3.23Å; L117-M121 HydrophobicContact CD2-SD 3.72Å; L117-M121 HydrophobicContact CG-SD 4.28Å; L117-M121 WeakPolarHBondContact O-CG 3.48Å; L117-M121 PolarHBondContact O-N 2.93Å |
| 118 | E | 70.9 | Confident | 65 | Low | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.009 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 176.8 | -66.5 | 170.2 | 127.2 | 0 | 0 | 110.5 | I42 K46 Q111 L115 M121 N122 | I42-E118 HydrophobicContact CD1-CG 3.79Å; I42-E118 HydrophobicContact CG2-CG 4.21Å; K46-E118 IonicContact NZ-OE1 2.77Å; K46-E118 PolarHBondContact NZ-OE1 3.37Å; K46-E118 IonicContact NZ-OE2 2.72Å; K46-E118 PolarHBondContact NZ-OE2 3.05Å; Q111-E118 PolarHBondContact NE2-OE1 3.36Å; L115-E118 HydrophobicContact CB-CG 4.28Å; L115-E118 WeakPolarHBondContact CB-OE2 3.25Å; L115-E118 PolarHBondContact N-OE2 2.93Å; L115-E118 WeakPolarHBondContact O-CB 3.45Å; L115-E118 PolarHBondContact O-N 2.85Å; E118-M121 PolarHBondContact O-N 3.19Å; E118-N122 WeakPolarHBondContact O-CB 3.38Å; E118-N122 PolarHBondContact O-N 2.93Å |
| 119 | A | 68.3 | Low | 66 | Low | 38 Ų | 38 | 72.6 Ų | 72.6 | 31% | 0.314 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V114 L115 L117 G123 | V114-A119 HydrophobicContact CG1-CB 3.98Å; L115-A119 PolarHBondContact O-N 3.06Å; L117-A119 VanDerWaalsContact C-N 3.29Å; L117-A119 PolarHBondContact O-N 2.94Å; A119-G123 PolarHBondContact O-N 3.5Å |
| 120 | I | 76.6 | Confident | 67.1 | Low | 109 Ų | 109 | 67.6 Ų | 67.6 | 56% | 0.559 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.4 | -43.2 | 177.6 | -68 | 165.2 | 0 | 0 | 0 | 110.2 | R116 L117 G123 I124 | R116-I120 WeakPolarHBondContact O-CD1 3.46Å; R116-I120 VanDerWaalsContact O-CG1 3.3Å; R116-I120 WeakPolarHBondContact O-CG1 3.47Å; R116-I120 PolarHBondContact O-N 2.88Å; L117-I120 PolarHBondContact O-N 3.23Å; I120-G123 PolarHBondContact O-N 3.5Å; I120-I124 HydrophobicContact CG2-CD1 3.88Å; I120-I124 WeakPolarHBondContact O-CG1 3.3Å; I120-I124 PolarHBondContact O-N 3.39Å |
| 121 | M | 74 | Confident | 68.1 | Low | 15 Ų | 15 | 63.8 Ų | 63.8 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 179.6 | -70.7 | 175 | 67.8 | 0 | 0 | 112 | Y31 Y35 L38 L117 E118 G123 I124 L125 | Y31-M121 WeakPolarHBondContact OH-CA 3.35Å; Y31-M121 PolarHBondContact OH-O 2.81Å; Y35-M121 HydrophobicContact CD2-CB 3.88Å; Y35-M121 HydrophobicContact CD2-CE 3.63Å; Y35-M121 HydrophobicContact CE2-CB 3.67Å; Y35-M121 HydrophobicContact CE2-CE 4.16Å; Y35-M121 HydrophobicContact CG-CE 4.01Å; L38-M121 HydrophobicContact CB-CE 3.31Å; L38-M121 HydrophobicContact CB-SD 3.96Å; L38-M121 HydrophobicContact CD1-CE 3.85Å; L38-M121 HydrophobicContact CD1-SD 4.39Å; L38-M121 HydrophobicContact CD2-SD 4.28Å; L38-M121 HydrophobicContact CG-CE 4.07Å; L38-M121 HydrophobicContact CG-SD 4.44Å; L117-M121 HydrophobicContact CD2-SD 3.72Å; L117-M121 HydrophobicContact CG-SD 4.28Å; L117-M121 WeakPolarHBondContact O-CG 3.48Å; L117-M121 PolarHBondContact O-N 2.93Å; E118-M121 PolarHBondContact O-N 3.19Å; M121-G123 VanDerWaalsContact C-N 3.29Å; M121-G123 PolarHBondContact O-N 3.49Å; M121-I124 PolarHBondContact O-N 2.84Å; M121-L125 PolarHBondContact O-N 3.38Å |
| 122 | N | 72.8 | Confident | 69.3 | Low | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.7 | -35.5 | 175.5 | -100.3 | -40.3 | 0 | 0 | 0 | 112.6 | Y35 L108 E118 L125 L126 | Y35-N122 PolarHBondContact OH-ND2 3.47Å; Y35-N122 PolarHBondContact OH-OD1 2.79Å; L108-N122 HydrophobicContact CD1-CB 3.84Å; L108-N122 HydrophobicContact CG-CB 4.01Å; E118-N122 WeakPolarHBondContact O-CB 3.38Å; E118-N122 PolarHBondContact O-N 2.93Å; N122-L125 PolarHBondContact O-N 2.93Å; N122-L126 WeakPolarHBondContact O-CB 3.49Å; N122-L126 PolarHBondContact O-N 3.41Å |
| 123 | G | 72.9 | Confident | 70.5 | Confident | 36 Ų | 36 | 60.6 Ų | 60.6 | 37% | 0.371 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A119 I120 M121 L126 F127 | A119-G123 PolarHBondContact O-N 3.5Å; I120-G123 PolarHBondContact O-N 3.5Å; M121-G123 VanDerWaalsContact C-N 3.29Å; M121-G123 PolarHBondContact O-N 3.49Å; G123-L126 PolarHBondContact O-N 3.32Å; G123-F127 PolarHBondContact O-N 3.01Å; G123-F127 VanDerWaalsContact O-N 3.12Å |
| 124 | I | 77.2 | Confident | 71.8 | Confident | 69 Ų | 69 | 59.4 Ų | 59.4 | 35% | 0.354 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.6 | -40 | 176.5 | -65.5 | 163.1 | 0 | 0 | 0 | 110.6 | Y31 I120 M121 L126 F127 F128 | Y31-I124 HydrophobicContact CD2-CG2 4.39Å; Y31-I124 HydrophobicContact CE1-CG2 4.27Å; Y31-I124 HydrophobicContact CE2-CB 4.36Å; Y31-I124 HydrophobicContact CE2-CG2 3.58Å; Y31-I124 WeakPolarHBondContact OH-CB 3.33Å; I120-I124 HydrophobicContact CG2-CD1 3.88Å; I120-I124 WeakPolarHBondContact O-CG1 3.3Å; I120-I124 PolarHBondContact O-N 3.39Å; M121-I124 PolarHBondContact O-N 2.84Å; I124-L126 PolarHBondContact O-N 3.48Å; I124-F127 WeakPolarHBondContact O-CB 3.48Å; I124-F127 PolarHBondContact O-N 3.48Å; I124-F128 HydrophobicContact CG2-CD2 3.81Å; I124-F128 HydrophobicContact CG2-CE2 3.85Å; I124-F128 WeakPolarHBondContact O-CD2 3.48Å; I124-F128 PolarHBondContact O-N 2.98Å |
| 125 | L | 72.4 | Confident | 72.5 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 175.6 | -169.5 | 68.7 | 0 | 0 | 0 | 111.9 | Y31 Y35 Y67 M121 N122 F127 F128 C129 | Y31-L125 HydrophobicContact CD1-CD1 3.84Å; Y31-L125 HydrophobicContact CE1-CB 4Å; Y31-L125 HydrophobicContact CE1-CD1 3.82Å; Y35-L125 HydrophobicContact CE2-CD2 4.36Å; Y67-L125 HydrophobicContact CE1-CD2 4.27Å; Y67-L125 VanDerWaalsContact OH-CD2 3.3Å; Y67-L125 WeakPolarHBondContact OH-CD2 3.37Å; M121-L125 PolarHBondContact O-N 3.38Å; N122-L125 PolarHBondContact O-N 2.93Å; L125-F127 VanDerWaalsContact C-N 3.32Å; L125-F127 PolarHBondContact O-N 3.04Å; L125-F128 PolarHBondContact O-N 3.35Å; L125-C129 VanDerWaalsContact O-CB 3.29Å; L125-C129 WeakPolarHBondContact O-CB 3.29Å; L125-C129 PolarHBondContact O-N 3.39Å |
| 126 | L | 72.1 | Confident | 72.9 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 46% | 0.461 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 174.6 | -95.3 | 150 | 0 | 0 | 0 | 112.4 | L108 N122 G123 I124 G130 | L108-L126 HydrophobicContact CD1-CD1 3.78Å; N122-L126 WeakPolarHBondContact O-CB 3.49Å; N122-L126 PolarHBondContact O-N 3.41Å; G123-L126 PolarHBondContact O-N 3.32Å; I124-L126 PolarHBondContact O-N 3.48Å; L126-G130 PolarHBondContact O-N 3.3Å |
| 127 | F | 78.6 | Confident | 72.8 | Confident | 152 Ų | 152 | 49.3 Ų | 49.3 | 67% | 0.667 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64 | -45.9 | 176.2 | -179.3 | -98.2 | 0 | 0 | 0 | 111.8 | G123 I124 L125 G130 S131 | G123-F127 PolarHBondContact O-N 3.01Å; G123-F127 VanDerWaalsContact O-N 3.12Å; I124-F127 WeakPolarHBondContact O-CB 3.48Å; I124-F127 PolarHBondContact O-N 3.48Å; L125-F127 VanDerWaalsContact C-N 3.32Å; L125-F127 PolarHBondContact O-N 3.04Å; F127-G130 PolarHBondContact O-N 3.2Å; F127-S131 PolarHBondContact O-N 3Å |
| 128 | F | 74.9 | Confident | 73.2 | Confident | 37 Ų | 37 | 50 Ų | 50 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 175.2 | -89.7 | -69.1 | 0 | 0 | 0 | 111.9 | L24 L27 I124 L125 G130 S131 E132 | L24-F128 HydrophobicContact CD2-CD1 4.1Å; L24-F128 HydrophobicContact CD2-CE1 4.02Å; L27-F128 HydrophobicContact CD2-CD1 4.24Å; L27-F128 HydrophobicContact CD2-CE1 3.28Å; L27-F128 HydrophobicContact CD2-CE2 4.06Å; L27-F128 HydrophobicContact CD2-CZ 3.16Å; I124-F128 HydrophobicContact CG2-CD2 3.81Å; I124-F128 HydrophobicContact CG2-CE2 3.85Å; I124-F128 WeakPolarHBondContact O-CD2 3.48Å; I124-F128 PolarHBondContact O-N 2.98Å; L125-F128 PolarHBondContact O-N 3.35Å; F128-G130 VanDerWaalsContact C-N 3.33Å; F128-G130 PolarHBondContact O-N 3.23Å; F128-S131 PolarHBondContact O-N 3Å; F128-S131 VanDerWaalsContact O-N 3.1Å; F128-S131 PolarHBondContact O-OG 3.49Å; F128-E132 PolarHBondContact O-N 3.3Å |
| 129 | C | 72.1 | Confident | 73.1 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 10% | 0.101 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.9 | -43.6 | 177.5 | -177 | 0 | 0 | 0 | 0 | 112.1 | L125 S131 E132 L133 | L125-C129 VanDerWaalsContact O-CB 3.29Å; L125-C129 WeakPolarHBondContact O-CB 3.29Å; L125-C129 PolarHBondContact O-N 3.39Å; C129-S131 VanDerWaalsContact C-N 3.35Å; C129-S131 PolarHBondContact O-N 3.43Å; C129-E132 PolarHBondContact O-N 3.24Å; C129-L133 WeakPolarHBondContact O-CG 3.34Å; C129-L133 PolarHBondContact O-N 3.34Å |
| 130 | G | 74.3 | Confident | 73.1 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | L126 F127 F128 L134 | L126-G130 PolarHBondContact O-N 3.3Å; F127-G130 PolarHBondContact O-N 3.2Å; F128-G130 VanDerWaalsContact C-N 3.33Å; F128-G130 PolarHBondContact O-N 3.23Å; G130-L134 WeakPolarHBondContact O-CB 3.31Å; G130-L134 PolarHBondContact O-N 3.08Å |
| 131 | S | 72.6 | Confident | 72.8 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 20% | 0.203 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69 | -38.3 | 177 | 75.1 | 0 | 0 | 0 | 0 | 113 | F127 F128 C129 L134 L135 | F127-S131 PolarHBondContact O-N 3Å; F128-S131 PolarHBondContact O-N 3Å; F128-S131 VanDerWaalsContact O-N 3.1Å; F128-S131 PolarHBondContact O-OG 3.49Å; C129-S131 VanDerWaalsContact C-N 3.35Å; C129-S131 PolarHBondContact O-N 3.43Å; S131-L134 PolarHBondContact O-N 3.45Å; S131-L135 WeakPolarHBondContact O-CG 3.4Å; S131-L135 PolarHBondContact O-N 3.41Å; S131-L135 VanDerWaalsContact O-N 3.16Å |
| 132 | E | 72.7 | Confident | 72.6 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.9 | -49.4 | 173.2 | -87.3 | 168 | 123.3 | 0 | 0 | 111 | L24 F25 N28 F128 C129 L134 L135 E136 | L24-E132 HydrophobicContact CB-CG 4.41Å; F25-E132 WeakPolarHBondContact CD1-OE1 3.37Å; F25-E132 HydrophobicContact CE1-CG 4.49Å; F25-E132 VanDerWaalsContact CE1-OE1 3.28Å; F25-E132 WeakPolarHBondContact CE1-OE1 3.35Å; N28-E132 PolarHBondContact ND2-OE1 3.14Å; N28-E132 PolarHBondContact ND2-OE2 2.97Å; F128-E132 PolarHBondContact O-N 3.3Å; C129-E132 PolarHBondContact O-N 3.24Å; E132-L134 VanDerWaalsContact C-N 3.3Å; E132-L134 PolarHBondContact O-N 3.49Å; E132-L135 PolarHBondContact O-N 3.44Å; E132-L135 VanDerWaalsContact O-N 3.16Å; E132-E136 WeakPolarHBondContact O-CG 3.4Å; E132-E136 PolarHBondContact O-N 3.1Å |
| 133 | L | 71.8 | Confident | 72.4 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 30% | 0.304 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.3 | -43.3 | 177.7 | -80.4 | 173.8 | 0 | 0 | 0 | 112.1 | T97 C129 L135 E136 V137 | T97-L133 HydrophobicContact CG2-CD1 4.5Å; T97-L133 HydrophobicContact CG2-CD2 4.08Å; T97-L133 HydrophobicContact CG2-CG 4.17Å; T97-L133 WeakPolarHBondContact OG1-CD2 3.45Å; C129-L133 WeakPolarHBondContact O-CG 3.34Å; C129-L133 PolarHBondContact O-N 3.34Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L133-L135 PolarHBondContact O-N 3.42Å; L133-E136 PolarHBondContact O-N 2.89Å; L133-V137 VanDerWaalsContact O-CG2 3.3Å; L133-V137 WeakPolarHBondContact O-CG2 3.32Å; L133-V137 PolarHBondContact O-N 3.33Å |
| 134 | L | 76.9 | Confident | 71.9 | Confident | 111 Ų | 111 | 53.4 Ų | 53.4 | 58% | 0.581 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.6 | -44.6 | 178.5 | -175.5 | 66.3 | 0 | 0 | 0 | 111.3 | G130 S131 E132 V137 L138 | G130-L134 WeakPolarHBondContact O-CB 3.31Å; G130-L134 PolarHBondContact O-N 3.08Å; S131-L134 PolarHBondContact O-N 3.45Å; E132-L134 VanDerWaalsContact C-N 3.3Å; E132-L134 PolarHBondContact O-N 3.49Å; L134-V137 PolarHBondContact O-N 3.33Å; L134-L138 HydrophobicContact CG-CD1 4.27Å; L134-L138 WeakPolarHBondContact O-CB 3.49Å; L134-L138 VanDerWaalsContact O-CG 3.24Å; L134-L138 WeakPolarHBondContact O-CG 3.24Å; L134-L138 PolarHBondContact O-N 3.46Å |
| 135 | L | 70.6 | Confident | 71.3 | Confident | 47 Ų | 47 | 53.1 Ų | 53.1 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.9 | -37.4 | 179.4 | -71.7 | 166.7 | 0 | 0 | 0 | 112.5 | L21 L24 S131 E132 L133 V137 L138 T139 | L21-L135 HydrophobicContact CD1-CB 3.56Å; L24-L135 HydrophobicContact CD1-CD1 3.05Å; S131-L135 WeakPolarHBondContact O-CG 3.4Å; S131-L135 PolarHBondContact O-N 3.41Å; S131-L135 VanDerWaalsContact O-N 3.16Å; E132-L135 PolarHBondContact O-N 3.44Å; E132-L135 VanDerWaalsContact O-N 3.16Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L133-L135 PolarHBondContact O-N 3.42Å; L135-V137 VanDerWaalsContact C-N 3.35Å; L135-V137 PolarHBondContact O-N 2.99Å; L135-L138 HydrophobicContact CD2-CD1 4.31Å; L135-L138 PolarHBondContact O-N 2.99Å; L135-T139 VanDerWaalsContact O-CG2 3.32Å; L135-T139 WeakPolarHBondContact O-CG2 3.41Å; L135-T139 PolarHBondContact O-N 3.44Å; L135-T139 PolarHBondContact O-OG1 3.45Å |
| 136 | E | 70 | Confident | 70.6 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 2% | 0.023 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 172 | -76.3 | -172.6 | 153.1 | 0 | 0 | 111.1 | L21 L90 S93 V94 E132 L133 L138 T139 L140 | L21-E136 HydrophobicContact CD1-CG 4.17Å; L90-E136 HydrophobicContact CD2-CB 4.01Å; L90-E136 HydrophobicContact CD2-CG 4.21Å; S93-E136 VanDerWaalsContact CB-OE1 3.29Å; S93-E136 WeakPolarHBondContact CB-OE1 3.19Å; S93-E136 PolarHBondContact OG-OE1 3.1Å; V94-E136 VanDerWaalsContact CG2-OE2 3.24Å; V94-E136 WeakPolarHBondContact CG2-OE2 3.24Å; E132-E136 WeakPolarHBondContact O-CG 3.4Å; E132-E136 PolarHBondContact O-N 3.1Å; L133-E136 PolarHBondContact O-N 2.89Å; E136-L138 PolarHBondContact O-N 2.72Å; E136-T139 PolarHBondContact O-N 2.77Å; E136-T139 PolarHBondContact O-OG1 2.69Å; E136-L140 PolarHBondContact O-N 3.36Å |
| 137 | V | 70.7 | Confident | 69.7 | Low | 87 Ų | 87 | 59 Ų | 59 | 53% | 0.527 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | L133 L134 L135 T139 L140 A141 | L133-V137 VanDerWaalsContact O-CG2 3.3Å; L133-V137 WeakPolarHBondContact O-CG2 3.32Å; L133-V137 PolarHBondContact O-N 3.33Å; L134-V137 PolarHBondContact O-N 3.33Å; L135-V137 VanDerWaalsContact C-N 3.35Å; L135-V137 PolarHBondContact O-N 2.99Å; V137-T139 VanDerWaalsContact C-N 3.34Å; V137-T139 PolarHBondContact O-N 3.08Å; V137-L140 PolarHBondContact O-N 3.33Å; V137-A141 WeakPolarHBondContact O-CB 3.43Å; V137-A141 PolarHBondContact O-N 2.82Å |
| 138 | L | 75.4 | Confident | 68.4 | Low | 99 Ų | 99 | 62 Ų | 62 | 52% | 0.518 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 177.2 | -73.7 | 170.4 | 0 | 0 | 0 | 112 | L134 L135 E136 A141 A142 | L134-L138 HydrophobicContact CG-CD1 4.27Å; L134-L138 WeakPolarHBondContact O-CB 3.49Å; L134-L138 VanDerWaalsContact O-CG 3.24Å; L134-L138 WeakPolarHBondContact O-CG 3.24Å; L134-L138 PolarHBondContact O-N 3.46Å; L135-L138 HydrophobicContact CD2-CD1 4.31Å; L135-L138 PolarHBondContact O-N 2.99Å; E136-L138 PolarHBondContact O-N 2.72Å; L138-A141 PolarHBondContact O-N 3.06Å; L138-A142 WeakPolarHBondContact O-CB 3.4Å; L138-A142 PolarHBondContact O-N 3.4Å |
| 139 | T | 69.1 | Low | 67 | Low | 15 Ų | 15 | 69.8 Ų | 69.8 | 9% | 0.092 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 175.9 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | S18 L135 E136 V137 A141 A142 F143 | S18-T139 VanDerWaalsContact OG-CG2 3.25Å; S18-T139 WeakPolarHBondContact OG-CG2 3.21Å; L135-T139 VanDerWaalsContact O-CG2 3.32Å; L135-T139 WeakPolarHBondContact O-CG2 3.41Å; L135-T139 PolarHBondContact O-N 3.44Å; L135-T139 PolarHBondContact O-OG1 3.45Å; E136-T139 PolarHBondContact O-N 2.77Å; E136-T139 PolarHBondContact O-OG1 2.69Å; V137-T139 VanDerWaalsContact C-N 3.34Å; V137-T139 PolarHBondContact O-N 3.08Å; T139-A141 VanDerWaalsContact C-N 3.34Å; T139-A141 PolarHBondContact O-N 2.97Å; T139-A142 PolarHBondContact O-N 3.43Å; T139-F143 WeakPolarHBondContact O-CD2 3.24Å; T139-F143 PolarHBondContact O-N 3.15Å |
| 140 | L | 66.9 | Low | 66.8 | Low | 60 Ų | 60 | 72.5 Ų | 72.5 | 31% | 0.314 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 173.6 | -78.7 | 169.2 | 0 | 0 | 0 | 112.2 | L90 E136 V137 F143 S144 | L90-L140 HydrophobicContact CD2-CD1 3.87Å; L90-L140 HydrophobicContact CD2-CD2 4.04Å; L90-L140 HydrophobicContact CD2-CG 3.61Å; E136-L140 PolarHBondContact O-N 3.36Å; V137-L140 PolarHBondContact O-N 3.33Å; L140-F143 PolarHBondContact O-N 2.96Å; L140-S144 WeakPolarHBondContact O-CB 3.39Å; L140-S144 PolarHBondContact O-N 3.08Å |
| 141 | A | 71.3 | Confident | 66.4 | Low | 48 Ų | 48 | 74.2 Ų | 74.2 | 40% | 0.397 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | V137 L138 T139 F143 S144 S145 | V137-A141 WeakPolarHBondContact O-CB 3.43Å; V137-A141 PolarHBondContact O-N 2.82Å; L138-A141 PolarHBondContact O-N 3.06Å; T139-A141 VanDerWaalsContact C-N 3.34Å; T139-A141 PolarHBondContact O-N 2.97Å; A141-F143 PolarHBondContact O-N 3.05Å; A141-S144 PolarHBondContact O-N 3.48Å; A141-S144 VanDerWaalsContact O-N 3.15Å; A141-S144 PolarHBondContact O-OG 2.83Å; A141-S145 PolarHBondContact O-N 3.26Å; A141-S145 PolarHBondContact O-OG 3.04Å |
| 142 | A | 70 | Confident | 66 | Low | 54 Ų | 54 | 76.7 Ų | 76.7 | 45% | 0.446 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L138 T139 S145 M146 | L138-A142 WeakPolarHBondContact O-CB 3.4Å; L138-A142 PolarHBondContact O-N 3.4Å; T139-A142 PolarHBondContact O-N 3.43Å; A142-S145 PolarHBondContact O-OG 3.06Å; A142-M146 PolarHBondContact O-N 3.25Å |
| 143 | F | 67.4 | Low | 65.6 | Low | 42 Ų | 42 | 81 Ų | 81 | 18% | 0.184 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -67 | -36.6 | 172.6 | -86 | -68.4 | 0 | 0 | 0 | 112.6 | L16 Q85 T139 L140 A141 M146 N147 | L16-F143 HydrophobicContact CB-CE1 3.9Å; L16-F143 HydrophobicContact CB-CE2 4.31Å; L16-F143 HydrophobicContact CB-CZ 3.51Å; L16-F143 HydrophobicContact CD1-CD1 3.82Å; L16-F143 HydrophobicContact CD1-CE1 3.32Å; L16-F143 HydrophobicContact CD1-CZ 3.83Å; L16-F143 HydrophobicContact CG-CE1 4.26Å; L16-F143 HydrophobicContact CG-CZ 4.34Å; Q85-F143 HydrophobicContact CG-CE1 3.99Å; Q85-F143 HydrophobicContact CG-CZ 3.73Å; T139-F143 WeakPolarHBondContact O-CD2 3.24Å; T139-F143 PolarHBondContact O-N 3.15Å; L140-F143 PolarHBondContact O-N 2.96Å; A141-F143 PolarHBondContact O-N 3.05Å; F143-M146 HydrophobicContact CD1-CE 4.3Å; F143-N147 PolarHBondContact O-N 3.35Å |
| 144 | S | 63.9 | Low | 65.2 | Low | 57 Ų | 57 | 82.4 Ų | 82.4 | 40% | 0.399 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -70.6 | -35.8 | 179.9 | 80.3 | 0 | 0 | 0 | 0 | 112.7 | L140 A141 | L140-S144 WeakPolarHBondContact O-CB 3.39Å; L140-S144 PolarHBondContact O-N 3.08Å; A141-S144 PolarHBondContact O-N 3.48Å; A141-S144 VanDerWaalsContact O-N 3.15Å; A141-S144 PolarHBondContact O-OG 2.83Å |
| 145 | S | 62.8 | Low | 64.5 | Low | 63 Ų | 63 | 80.5 Ų | 80.5 | 44% | 0.441 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71 | -39.9 | 177.3 | 62.7 | 0 | 0 | 0 | 0 | 111.3 | A141 A142 N147 R148 | A141-S145 PolarHBondContact O-N 3.26Å; A141-S145 PolarHBondContact O-OG 3.04Å; A142-S145 PolarHBondContact O-OG 3.06Å; S145-N147 VanDerWaalsContact C-N 3.33Å; S145-N147 PolarHBondContact O-N 2.98Å; S145-R148 WeakPolarHBondContact O-CB 3.46Å; S145-R148 PolarHBondContact O-N 3.2Å; S145-R148 VanDerWaalsContact O-N 3.13Å |
| 146 | M | 57.8 | Low | 64 | Low | 90 Ų | 90 | 82.9 Ų | 82.9 | 44% | 0.443 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.5 | -28.1 | 178.4 | -167.8 | 178 | 60.8 | 0 | 0 | 113.3 | L16 A142 F143 R148 | L16-M146 HydrophobicContact CD1-CE 3.18Å; L16-M146 HydrophobicContact CD1-SD 3.92Å; A142-M146 PolarHBondContact O-N 3.25Å; F143-M146 HydrophobicContact CD1-CE 4.3Å; M146-R148 PolarHBondContact O-N 2.74Å |
| 147 | N | 54.6 | Low | 63.6 | Low | 127 Ų | 127 | 88.9 Ų | 88.9 | 68% | 0.679 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -5.8 | 174 | -162.6 | 72.6 | 0 | 0 | 0 | 113.2 | F143 S145 | F143-N147 PolarHBondContact O-N 3.35Å; S145-N147 VanDerWaalsContact C-N 3.33Å; S145-N147 PolarHBondContact O-N 2.98Å |
| 148 | R | 50 | Low | 63 | Low | 213 Ų | 213 | 89.1 Ų | 89.1 | 80% | 0.804 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -1 | -180 | -137.1 | -167 | -69.8 | -171 | -1.4 | 112.7 | S145 M146 | S145-R148 WeakPolarHBondContact O-CB 3.46Å; S145-R148 PolarHBondContact O-N 3.2Å; S145-R148 VanDerWaalsContact O-N 3.13Å; M146-R148 PolarHBondContact O-N 2.74Å |
| 149 | I | 46.7 | Very low | 61.8 | Low | 201 Ų | 201 | 88.2 Ų | 88.2 | 100% | 1.031 | 48% | 0.475 | S | S | * | . | trans | -110.1 | 0 | 175.2 | -58.4 | 171.2 | 0 | 0 | 0 | 107.7 |
Retrieved 149 of 149 residues in 37.6 ms
(Link to these results)