| 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 | 36.3 | Very low | 52.5 | Low | 229 Ų | 229 | 117.9 Ų | 117.9 | 100% | 1.128 | 64% | 0.636 | S | S | * | * | 0 | 114 | 0 | -63.3 | -159.6 | -60.6 | 0 | 0 | 104.3 | |||||
| 2 | D | 44.5 | Very low | 53.2 | Low | 133 Ų | 133 | 116.5 Ų | 116.5 | 71% | 0.711 | 63% | 0.634 | S | S | * | * | trans | 156.9 | -11.7 | 173.9 | -79.2 | -8 | 0 | 0 | 0 | 110.7 | E4 D5 | D2-E4 PolarHBondContact O-N 3.02Å; D2-D5 PolarHBondContact O-N 3.39Å | ||
| 3 | V | 49.5 | Very low | 53.9 | Low | 125 Ų | 125 | 115.4 Ų | 115.4 | 76% | 0.758 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.7 | -12.5 | 173.4 | -174.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 4 | E | 50.8 | Low | 54.1 | Low | 161 Ų | 161 | 116.4 Ų | 116.4 | 75% | 0.752 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -80.2 | -23.6 | 179 | -70.1 | -179.9 | 169.3 | 0 | 0 | 112.6 | D2 I8 | D2-E4 PolarHBondContact O-N 3.02Å; E4-I8 VanDerWaalsContact O-CD1 3.23Å; E4-I8 WeakPolarHBondContact O-CD1 3.4Å; E4-I8 WeakPolarHBondContact O-CG1 3.39Å |
| 5 | D | 52.4 | Low | 54.3 | Low | 106 Ų | 106 | 119.7 Ų | 119.7 | 57% | 0.567 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -82.3 | -34.8 | -175.8 | -76.5 | -20.9 | 0 | 0 | 0 | 113.9 | D2 S7 I8 L9 | D2-D5 PolarHBondContact O-N 3.39Å; D5-S7 PolarHBondContact O-N 3.31Å; D5-I8 PolarHBondContact O-N 2.93Å; D5-L9 PolarHBondContact O-N 3.07Å |
| 6 | E | 54.7 | Low | 54.6 | Low | 139 Ų | 139 | 117.3 Ų | 117.3 | 65% | 0.65 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.5 | -37.8 | 177.4 | -73.5 | -174.6 | 166.2 | 0 | 0 | 112.3 | I8 V10 | E6-I8 VanDerWaalsContact C-N 3.31Å; E6-I8 PolarHBondContact O-N 3.25Å; E6-V10 PolarHBondContact O-N 3.45Å |
| 7 | S | 55.1 | Low | 55.2 | Low | 82 Ų | 82 | 114.8 Ų | 114.8 | 57% | 0.573 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70 | -28.5 | 177.6 | -178.8 | 0 | 0 | 0 | 0 | 112.5 | D5 S11 | D5-S7 PolarHBondContact O-N 3.31Å; S7-S11 WeakPolarHBondContact O-CB 3.47Å; S7-S11 PolarHBondContact O-N 2.81Å; S7-S11 PolarHBondContact O-OG 3.01Å |
| 8 | I | 58.7 | Low | 55.7 | Low | 89 Ų | 89 | 112.2 Ų | 112.2 | 46% | 0.456 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.8 | -45.2 | -179.6 | -68.2 | 164.9 | 0 | 0 | 0 | 109.7 | E4 D5 E6 V10 S11 V12 | E4-I8 VanDerWaalsContact O-CD1 3.23Å; E4-I8 WeakPolarHBondContact O-CD1 3.4Å; E4-I8 WeakPolarHBondContact O-CG1 3.39Å; D5-I8 PolarHBondContact O-N 2.93Å; E6-I8 VanDerWaalsContact C-N 3.31Å; E6-I8 PolarHBondContact O-N 3.25Å; I8-V10 PolarHBondContact O-N 2.87Å; I8-S11 PolarHBondContact O-N 3.24Å; I8-S11 VanDerWaalsContact O-N 3.08Å; I8-S11 PolarHBondContact O-OG 3.4Å; I8-V12 HydrophobicContact CG2-CG2 4.3Å; I8-V12 WeakPolarHBondContact O-CG2 3.39Å; I8-V12 PolarHBondContact O-N 3.05Å |
| 9 | L | 57.7 | Low | 56 | Low | 83 Ų | 83 | 112.3 Ų | 112.3 | 44% | 0.435 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.1 | -40.2 | -179.9 | -75.3 | 167.1 | 0 | 0 | 0 | 112.8 | D5 S11 V12 F13 | D5-L9 PolarHBondContact O-N 3.07Å; L9-S11 VanDerWaalsContact C-N 3.29Å; L9-S11 PolarHBondContact O-N 2.89Å; L9-V12 PolarHBondContact O-N 3.27Å; L9-F13 WeakPolarHBondContact O-CD2 3.31Å |
| 10 | V | 59.6 | Low | 56.3 | Low | 89 Ų | 89 | 111.3 Ų | 111.3 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.6 | -30.8 | 174.8 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | E6 I8 | E6-V10 PolarHBondContact O-N 3.45Å; I8-V10 PolarHBondContact O-N 2.87Å |
| 11 | S | 58.8 | Low | 56.5 | Low | 61 Ų | 61 | 112.2 Ų | 112.2 | 43% | 0.427 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -76.2 | -30.6 | 179 | 76.7 | 0 | 0 | 0 | 0 | 114.1 | S7 I8 L9 | S7-S11 WeakPolarHBondContact O-CB 3.47Å; S7-S11 PolarHBondContact O-N 2.81Å; S7-S11 PolarHBondContact O-OG 3.01Å; I8-S11 PolarHBondContact O-N 3.24Å; I8-S11 VanDerWaalsContact O-N 3.08Å; I8-S11 PolarHBondContact O-OG 3.4Å; L9-S11 VanDerWaalsContact C-N 3.29Å; L9-S11 PolarHBondContact O-N 2.89Å |
| 12 | V | 60.3 | Low | 57.6 | Low | 101 Ų | 101 | 106.9 Ų | 106.9 | 61% | 0.612 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -74.9 | -31.1 | -178 | 171.5 | 0 | 0 | 0 | 0 | 112.6 | I8 L9 | I8-V12 HydrophobicContact CG2-CG2 4.3Å; I8-V12 WeakPolarHBondContact O-CG2 3.39Å; I8-V12 PolarHBondContact O-N 3.05Å; L9-V12 PolarHBondContact O-N 3.27Å |
| 13 | F | 62.5 | Low | 58.3 | Low | 102 Ų | 102 | 107.9 Ų | 107.9 | 45% | 0.447 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.2 | 24.3 | -179.1 | -64 | -77.1 | 0 | 0 | 0 | 114.3 | L9 D15 S16 F17 | L9-F13 WeakPolarHBondContact O-CD2 3.31Å; F13-D15 PolarHBondContact O-N 3.35Å; F13-D15 VanDerWaalsContact O-N 3.07Å; F13-S16 PolarHBondContact O-N 3.05Å; F13-S16 VanDerWaalsContact O-N 3.09Å; F13-F17 HydrophobicContact CB-CD2 4.17Å; F13-F17 HydrophobicContact CB-CE2 3.64Å; F13-F17 HydrophobicContact CG-CE2 4.32Å |
| 14 | K | 56.6 | Low | 59.1 | Low | 129 Ų | 129 | 105.3 Ų | 105.3 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | -35.3 | -173.4 | -113 | -179.6 | 176.3 | 178.9 | 0 | 115.1 | ||
| 15 | D | 57.3 | Low | 59.9 | Low | 167 Ų | 167 | 101.9 Ų | 101.9 | 89% | 0.893 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -0.4 | -173.7 | -64.7 | -29.6 | 0 | 0 | 0 | 113.9 | F13 | F13-D15 PolarHBondContact O-N 3.35Å; F13-D15 VanDerWaalsContact O-N 3.07Å |
| 16 | S | 59.6 | Low | 60.7 | Low | 81 Ų | 81 | 102.7 Ų | 102.7 | 57% | 0.566 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -98.5 | -9.5 | -172.6 | -56.1 | 0 | 0 | 0 | 0 | 114.6 | F13 | F13-S16 PolarHBondContact O-N 3.05Å; F13-S16 VanDerWaalsContact O-N 3.09Å |
| 17 | F | 63.4 | Low | 61.3 | Low | 75 Ų | 75 | 98 Ų | 98 | 33% | 0.329 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -134.6 | 141.8 | -171.6 | -55.1 | -68.9 | 0 | 0 | 0 | 113.4 | F13 F27 | F13-F17 HydrophobicContact CB-CD2 4.17Å; F13-F17 HydrophobicContact CB-CE2 3.64Å; F13-F17 HydrophobicContact CG-CE2 4.32Å; F17-F27 HydrophobicContact CB-CZ 4.31Å; F17-F27 HydrophobicContact CD1-CZ 4.13Å; F17-F27 HydrophobicContact CD2-CZ 4.34Å; F17-F27 HydrophobicContact CG-CZ 4.01Å |
| 18 | P | 65.4 | Low | 61.8 | Low | 68 Ų | 68 | 97.5 Ų | 97.5 | 44% | 0.442 | 52% | 0.524 | S | S | . | . | trans | -61 | 143.1 | 176.5 | -20.4 | 31.7 | 0 | 0 | 0 | 113.3 | S20 W21 | P18-S20 PolarHBondContact O-N 3.2Å; P18-S20 VanDerWaalsContact O-N 3.1Å; P18-W21 PolarHBondContact O-N 3.33Å; P18-W21 VanDerWaalsContact O-N 3.15Å | ||
| 19 | D | 60.7 | Low | 62.3 | Low | 113 Ų | 113 | 96.1 Ų | 96.1 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -56.5 | -29.3 | -177.1 | -69.9 | -45.5 | 0 | 0 | 0 | 113.8 | W21 R22 | D19-W21 PolarHBondContact O-N 3.43Å; D19-R22 PolarHBondContact O-N 3.48Å; D19-R22 IonicContact OD1-CZ 3.76Å; D19-R22 IonicContact OD1-NE 2.78Å; D19-R22 IonicContact OD1-NH1 3.78Å; D19-R22 PolarHBondContact OD1-NH1 2.62Å; D19-R22 IonicContact OD1-NH2 3.51Å; D19-R22 PolarHBondContact OD1-NH2 3.37Å |
| 20 | S | 61.3 | Low | 62.9 | Low | 92 Ų | 92 | 95.5 Ų | 95.5 | 64% | 0.643 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -69.6 | -11 | -178.8 | 49.6 | 0 | 0 | 0 | 0 | 114.9 | P18 | P18-S20 PolarHBondContact O-N 3.2Å; P18-S20 VanDerWaalsContact O-N 3.1Å |
| 21 | W | 62 | Low | 63.2 | Low | 131 Ų | 131 | 93.6 Ų | 93.6 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -95.5 | -14.5 | -179.2 | -66.3 | 3.2 | 0 | 0 | 0 | 113 | P18 D19 D23 N24 F27 | P18-W21 PolarHBondContact O-N 3.33Å; P18-W21 VanDerWaalsContact O-N 3.15Å; D19-W21 PolarHBondContact O-N 3.43Å; W21-D23 VanDerWaalsContact C-N 3.31Å; W21-D23 PolarHBondContact O-N 3.17Å; W21-N24 PolarHBondContact O-N 3.32Å; W21-F27 HydrophobicContact CB-CD1 4.12Å; W21-F27 HydrophobicContact CB-CD2 4.12Å; W21-F27 HydrophobicContact CB-CE1 4.18Å; W21-F27 HydrophobicContact CB-CE2 4.22Å; W21-F27 HydrophobicContact CB-CG 4.07Å; W21-F27 HydrophobicContact CB-CZ 4.24Å; W21-F27 HydrophobicContact CD2-CE2 4.44Å; W21-F27 HydrophobicContact CE3-CD2 4.12Å; W21-F27 AromaticContact CE3-CE2 3.64Å; W21-F27 HydrophobicContact CE3-CE2 3.64Å; W21-F27 HydrophobicContact CE3-CZ 4.27Å; W21-F27 HydrophobicContact CZ3-CE2 4.4Å; W21-F27 WeakPolarHBondContact O-CB 3.15Å; W21-F27 WeakPolarHBondContact O-CD1 3.39Å; W21-F27 WeakPolarHBondContact O-CG 3.48Å |
| 22 | R | 58.2 | Low | 63.6 | Low | 118 Ų | 118 | 93.6 Ų | 93.6 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -25.9 | -177.2 | -63.8 | -174.6 | -162.7 | 151.2 | 11.9 | 114 | D19 | D19-R22 PolarHBondContact O-N 3.48Å; D19-R22 IonicContact OD1-CZ 3.76Å; D19-R22 IonicContact OD1-NE 2.78Å; D19-R22 IonicContact OD1-NH1 3.78Å; D19-R22 PolarHBondContact OD1-NH1 2.62Å; D19-R22 IonicContact OD1-NH2 3.51Å; D19-R22 PolarHBondContact OD1-NH2 3.37Å |
| 23 | D | 60.2 | Low | 64 | Low | 153 Ų | 153 | 94.7 Ų | 94.7 | 82% | 0.818 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -1.4 | -177.9 | -65.4 | -30.4 | 0 | 0 | 0 | 113.5 | W21 P25 | W21-D23 VanDerWaalsContact C-N 3.31Å; W21-D23 PolarHBondContact O-N 3.17Å; D23-P25 WeakPolarHBondContact O-CD 3.04Å |
| 24 | N | 65.5 | Low | 64.1 | Low | 71 Ų | 71 | 92.2 Ų | 92.2 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | trans | -88.3 | 115.3 | -179.5 | -169.9 | -11.4 | 0 | 0 | 0 | 110.3 | W21 D26 F27 S28 | W21-N24 PolarHBondContact O-N 3.32Å; N24-D26 PolarHBondContact O-N 2.63Å; N24-D26 VanDerWaalsContact O-N 3.16Å; N24-D26 PolarHBondContact OD1-N 3.16Å; N24-D26 VanDerWaalsContact OD1-N 3.16Å; N24-F27 HydrophobicContact CB-CB 4.1Å; N24-F27 WeakPolarHBondContact O-CB 3.39Å; N24-F27 PolarHBondContact O-N 3.02Å; N24-S28 PolarHBondContact O-N 3.39Å | ||
| 25 | P | 67.4 | Low | 64.5 | Low | 90 Ų | 90 | 89.5 Ų | 89.5 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.1 | -30.5 | 180 | 23.1 | -33.6 | 0 | 0 | 0 | 112.8 | D23 F27 S28 A29 | D23-P25 WeakPolarHBondContact O-CD 3.04Å; P25-F27 VanDerWaalsContact C-N 3.3Å; P25-F27 PolarHBondContact O-N 3.19Å; P25-S28 WeakPolarHBondContact CA-OG 3.16Å; P25-S28 PolarHBondContact O-N 3.34Å; P25-S28 PolarHBondContact O-OG 3.32Å; P25-A29 WeakPolarHBondContact O-CB 3.48Å; P25-A29 PolarHBondContact O-N 3.2Å |
| 26 | D | 69.1 | Low | 64.9 | Low | 122 Ų | 122 | 85.6 Ų | 85.6 | 65% | 0.652 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.8 | -30.4 | 177.5 | -62.5 | -24.8 | 0 | 0 | 0 | 111.8 | N24 Y30 | N24-D26 PolarHBondContact O-N 2.63Å; N24-D26 VanDerWaalsContact O-N 3.16Å; N24-D26 PolarHBondContact OD1-N 3.16Å; N24-D26 VanDerWaalsContact OD1-N 3.16Å; D26-Y30 VanDerWaalsContact O-CB 3.29Å; D26-Y30 WeakPolarHBondContact O-CB 3.39Å; D26-Y30 PolarHBondContact O-N 3.13Å |
| 27 | F | 68 | Low | 65 | Low | 42 Ų | 42 | 83.8 Ų | 83.8 | 18% | 0.184 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -71.8 | -43.4 | 176.5 | 179.7 | -106.4 | 0 | 0 | 0 | 111.5 | F17 W21 N24 P25 Y30 L31 | F17-F27 HydrophobicContact CB-CZ 4.31Å; F17-F27 HydrophobicContact CD1-CZ 4.13Å; F17-F27 HydrophobicContact CD2-CZ 4.34Å; F17-F27 HydrophobicContact CG-CZ 4.01Å; W21-F27 HydrophobicContact CB-CD1 4.12Å; W21-F27 HydrophobicContact CB-CD2 4.12Å; W21-F27 HydrophobicContact CB-CE1 4.18Å; W21-F27 HydrophobicContact CB-CE2 4.22Å; W21-F27 HydrophobicContact CB-CG 4.07Å; W21-F27 HydrophobicContact CB-CZ 4.24Å; W21-F27 HydrophobicContact CD2-CE2 4.44Å; W21-F27 HydrophobicContact CE3-CD2 4.12Å; W21-F27 AromaticContact CE3-CE2 3.64Å; W21-F27 HydrophobicContact CE3-CE2 3.64Å; W21-F27 HydrophobicContact CE3-CZ 4.27Å; W21-F27 HydrophobicContact CZ3-CE2 4.4Å; W21-F27 WeakPolarHBondContact O-CB 3.15Å; W21-F27 WeakPolarHBondContact O-CD1 3.39Å; W21-F27 WeakPolarHBondContact O-CG 3.48Å; N24-F27 HydrophobicContact CB-CB 4.1Å; N24-F27 WeakPolarHBondContact O-CB 3.39Å; N24-F27 PolarHBondContact O-N 3.02Å; P25-F27 VanDerWaalsContact C-N 3.3Å; P25-F27 PolarHBondContact O-N 3.19Å; F27-Y30 PolarHBondContact O-N 2.75Å; F27-L31 HydrophobicContact CD1-CD1 3.91Å; F27-L31 HydrophobicContact CE1-CD1 3.31Å; F27-L31 HydrophobicContact CE1-CG 4.49Å; F27-L31 HydrophobicContact CE2-CD1 4.2Å; F27-L31 HydrophobicContact CZ-CD1 3.48Å; F27-L31 VanDerWaalsContact CZ-CD1 3.48Å; F27-L31 HydrophobicContact CZ-CG 4.35Å; F27-L31 WeakPolarHBondContact O-CB 3.37Å; F27-L31 PolarHBondContact O-N 2.87Å |
| 28 | S | 65.9 | Low | 65 | Low | 71 Ų | 71 | 82.6 Ų | 82.6 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 174.6 | 45.5 | 0 | 0 | 0 | 0 | 112.5 | N24 P25 L31 S32 | N24-S28 PolarHBondContact O-N 3.39Å; P25-S28 WeakPolarHBondContact CA-OG 3.16Å; P25-S28 PolarHBondContact O-N 3.34Å; P25-S28 PolarHBondContact O-OG 3.32Å; S28-L31 PolarHBondContact O-N 2.84Å; S28-S32 PolarHBondContact O-N 3.01Å |
| 29 | A | 67.9 | Low | 65 | Low | 60 Ų | 60 | 86.9 Ų | 86.9 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | P25 S32 E33 | P25-A29 WeakPolarHBondContact O-CB 3.48Å; P25-A29 PolarHBondContact O-N 3.2Å; A29-S32 PolarHBondContact O-N 3.21Å; A29-E33 PolarHBondContact O-N 2.98Å |
| 30 | Y | 70.2 | Confident | 65 | Low | 69 Ų | 69 | 89.7 Ų | 89.7 | 27% | 0.271 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.4 | -35.5 | 178.5 | -168.9 | -113.2 | 0 | 0 | 0 | 112.8 | D26 F27 E33 L34 E45 | D26-Y30 VanDerWaalsContact O-CB 3.29Å; D26-Y30 WeakPolarHBondContact O-CB 3.39Å; D26-Y30 PolarHBondContact O-N 3.13Å; F27-Y30 PolarHBondContact O-N 2.75Å; Y30-E33 PolarHBondContact O-N 2.89Å; Y30-L34 HydrophobicContact CD1-CD1 3.68Å; Y30-L34 HydrophobicContact CE1-CD1 3.54Å; Y30-L34 HydrophobicContact CE1-CG 4.43Å; Y30-L34 HydrophobicContact CG-CD1 4.44Å; Y30-L34 WeakPolarHBondContact O-CB 3.29Å; Y30-L34 PolarHBondContact O-N 2.74Å; Y30-E45 PolarHBondContact OH-OE2 3.38Å |
| 31 | L | 67.9 | Low | 65.1 | Low | 50 Ų | 50 | 92.2 Ų | 92.2 | 26% | 0.262 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 172.4 | -104.9 | 163.6 | 0 | 0 | 0 | 112.4 | F27 S28 E33 L34 S35 | F27-L31 HydrophobicContact CD1-CD1 3.91Å; F27-L31 HydrophobicContact CE1-CD1 3.31Å; F27-L31 HydrophobicContact CE1-CG 4.49Å; F27-L31 HydrophobicContact CE2-CD1 4.2Å; F27-L31 HydrophobicContact CZ-CD1 3.48Å; F27-L31 VanDerWaalsContact CZ-CD1 3.48Å; F27-L31 HydrophobicContact CZ-CG 4.35Å; F27-L31 WeakPolarHBondContact O-CB 3.37Å; F27-L31 PolarHBondContact O-N 2.87Å; S28-L31 PolarHBondContact O-N 2.84Å; L31-E33 VanDerWaalsContact C-N 3.31Å; L31-L34 PolarHBondContact O-N 2.73Å; L31-S35 PolarHBondContact O-N 2.84Å |
| 32 | S | 66.4 | Low | 65.3 | Low | 61 Ų | 61 | 89.5 Ų | 89.5 | 43% | 0.427 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 173.1 | -172.7 | 0 | 0 | 0 | 0 | 111 | S28 A29 S35 A36 | S28-S32 PolarHBondContact O-N 3.01Å; A29-S32 PolarHBondContact O-N 3.21Å; S32-S35 PolarHBondContact O-N 3.04Å; S32-S35 PolarHBondContact O-OG 3.38Å; S32-A36 PolarHBondContact O-N 3.28Å |
| 33 | E | 68.9 | Low | 65.6 | Low | 124 Ų | 124 | 87.8 Ų | 87.8 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.4 | -37.9 | 178.2 | -158.7 | 174.5 | -168.5 | 0 | 0 | 112.2 | A29 Y30 L31 A36 C37 | A29-E33 PolarHBondContact O-N 2.98Å; Y30-E33 PolarHBondContact O-N 2.89Å; L31-E33 VanDerWaalsContact C-N 3.31Å; E33-A36 PolarHBondContact O-N 2.66Å; E33-C37 PolarHBondContact O-N 3.03Å; E33-C37 PolarHBondContact O-SG 3.43Å |
| 34 | L | 64.7 | Low | 66 | Low | 50 Ų | 50 | 89.4 Ų | 89.4 | 26% | 0.262 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 170.6 | -88.9 | 149.5 | 0 | 0 | 0 | 111.8 | Y30 L31 A36 C37 L42 | Y30-L34 HydrophobicContact CD1-CD1 3.68Å; Y30-L34 HydrophobicContact CE1-CD1 3.54Å; Y30-L34 HydrophobicContact CE1-CG 4.43Å; Y30-L34 HydrophobicContact CG-CD1 4.44Å; Y30-L34 WeakPolarHBondContact O-CB 3.29Å; Y30-L34 PolarHBondContact O-N 2.74Å; L31-L34 PolarHBondContact O-N 2.73Å; L34-A36 VanDerWaalsContact C-N 3.31Å; L34-A36 PolarHBondContact O-N 3.19Å; L34-C37 PolarHBondContact O-N 3.34Å; L34-L42 HydrophobicContact CB-CD1 4.21Å; L34-L42 HydrophobicContact CD2-CD1 3.49Å; L34-L42 VanDerWaalsContact CD2-CD1 3.49Å; L34-L42 HydrophobicContact CD2-CG 4Å; L34-L42 HydrophobicContact CG-CD1 4.41Å; L34-L42 WeakPolarHBondContact O-CD1 3.37Å |
| 35 | S | 64.1 | Low | 66.4 | Low | 71 Ų | 71 | 87.6 Ų | 87.6 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.4 | -26 | -179.6 | 74.1 | 0 | 0 | 0 | 0 | 113.8 | L31 S32 | L31-S35 PolarHBondContact O-N 2.84Å; S32-S35 PolarHBondContact O-N 3.04Å; S32-S35 PolarHBondContact O-OG 3.38Å |
| 36 | A | 65.3 | Low | 66.7 | Low | 85 Ų | 85 | 87.3 Ų | 87.3 | 70% | 0.702 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -8.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S32 E33 L34 | S32-A36 PolarHBondContact O-N 3.28Å; E33-A36 PolarHBondContact O-N 2.66Å; L34-A36 VanDerWaalsContact C-N 3.31Å; L34-A36 PolarHBondContact O-N 3.19Å |
| 37 | C | 61.8 | Low | 67 | Low | 44 Ų | 44 | 87.8 Ų | 87.8 | 30% | 0.297 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -88.3 | 131.8 | 179.8 | -78.9 | 0 | 0 | 0 | 0 | 112.2 | E33 L34 K41 L42 | E33-C37 PolarHBondContact O-N 3.03Å; E33-C37 PolarHBondContact O-SG 3.43Å; L34-C37 PolarHBondContact O-N 3.34Å; C37-K41 HydrophobicContact CB-CB 4.02Å; C37-L42 HydrophobicContact CB-CD1 4.18Å |
| 38 | G | 64.8 | Low | 67.5 | Low | 50 Ų | 50 | 91.7 Ų | 91.7 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | trans | -62.9 | 156.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | E40 K41 L42 | G38-E40 PolarHBondContact O-N 3.5Å; G38-K41 PolarHBondContact O-N 2.93Å; G38-L42 PolarHBondContact O-N 3.02Å | ||
| 39 | L | 64 | Low | 68.1 | Low | 158 Ų | 158 | 92.1 Ų | 92.1 | 83% | 0.827 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -51.1 | -34.9 | -171.6 | -157 | 77.7 | 0 | 0 | 0 | 114.4 | S43 | L39-S43 PolarHBondContact O-N 3.23Å |
| 40 | E | 62.3 | Low | 68.6 | Low | 171 Ų | 171 | 91.2 Ų | 91.2 | 80% | 0.799 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66 | -38.2 | 175.9 | -75.3 | -167.9 | 154.9 | 0 | 0 | 113.3 | G38 S43 | G38-E40 PolarHBondContact O-N 3.5Å; E40-S43 PolarHBondContact O-OG 3.07Å |
| 41 | K | 62.1 | Low | 69 | Low | 145 Ų | 145 | 94.6 Ų | 94.6 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.4 | -38.6 | 177.9 | -74.9 | -173.5 | 177.3 | -177 | 0 | 111.4 | C37 G38 S43 R44 E45 | C37-K41 HydrophobicContact CB-CB 4.02Å; G38-K41 PolarHBondContact O-N 2.93Å; K41-S43 VanDerWaalsContact C-N 3.27Å; K41-S43 PolarHBondContact O-N 3.3Å; K41-R44 PolarHBondContact O-N 3.05Å; K41-R44 VanDerWaalsContact O-N 3.15Å; K41-E45 PolarHBondContact O-N 3.27Å |
| 42 | L | 66.6 | Low | 69.7 | Low | 75 Ų | 75 | 96.6 Ų | 96.6 | 39% | 0.393 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -35.3 | 177.7 | -138 | 85.5 | 0 | 0 | 0 | 112.4 | L34 C37 G38 R44 | L34-L42 HydrophobicContact CB-CD1 4.21Å; L34-L42 HydrophobicContact CD2-CD1 3.49Å; L34-L42 VanDerWaalsContact CD2-CD1 3.49Å; L34-L42 HydrophobicContact CD2-CG 4Å; L34-L42 HydrophobicContact CG-CD1 4.41Å; L34-L42 WeakPolarHBondContact O-CD1 3.37Å; C37-L42 HydrophobicContact CB-CD1 4.18Å; G38-L42 PolarHBondContact O-N 3.02Å; L42-R44 VanDerWaalsContact C-N 3.28Å; L42-R44 PolarHBondContact O-N 3.01Å |
| 43 | S | 64.4 | Low | 70.4 | Confident | 82 Ų | 82 | 101.1 Ų | 101.1 | 57% | 0.573 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.6 | -20.6 | 177.5 | 66.4 | 0 | 0 | 0 | 0 | 114.7 | L39 E40 K41 | L39-S43 PolarHBondContact O-N 3.23Å; E40-S43 PolarHBondContact O-OG 3.07Å; K41-S43 VanDerWaalsContact C-N 3.27Å; K41-S43 PolarHBondContact O-N 3.3Å |
| 44 | R | 68.9 | Low | 71 | Confident | 186 Ų | 186 | 99 Ų | 99 | 70% | 0.702 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -100.7 | -13.4 | -177.7 | -78.6 | -176.4 | 172.4 | 178 | 0 | 114.7 | K41 L42 P46 E47 R48 | K41-R44 PolarHBondContact O-N 3.05Å; K41-R44 VanDerWaalsContact O-N 3.15Å; L42-R44 VanDerWaalsContact C-N 3.28Å; L42-R44 PolarHBondContact O-N 3.01Å; R44-P46 VanDerWaalsContact C-CD 3.45Å; R44-E47 PolarHBondContact O-N 3.23Å; R44-R48 PolarHBondContact O-N 2.91Å; R44-R48 VanDerWaalsContact O-N 3.16Å |
| 45 | E | 72.9 | Confident | 71.9 | Confident | 34 Ų | 34 | 102.5 Ų | 102.5 | 16% | 0.159 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -59.8 | -38.8 | 178.1 | -85 | -64.9 | 130 | 0 | 0 | 115 | Y30 K41 E47 R48 L49 | Y30-E45 PolarHBondContact OH-OE2 3.38Å; K41-E45 PolarHBondContact O-N 3.27Å; E45-E47 VanDerWaalsContact C-N 3.3Å; E45-E47 PolarHBondContact O-N 3.11Å; E45-R48 PolarHBondContact O-N 2.82Å; E45-R48 IonicContact OE1-CZ 3.74Å; E45-R48 IonicContact OE1-NE 3Å; E45-R48 IonicContact OE1-NH1 2.85Å; E45-R48 PolarHBondContact OE1-NH1 3.37Å; E45-R48 IonicContact OE2-CZ 2.7Å; E45-R48 IonicContact OE2-NH1 2.89Å; E45-L49 PolarHBondContact O-N 3.46Å |
| 46 | P | 74.7 | Confident | 72.7 | Confident | 84 Ų | 84 | 103.5 Ų | 103.5 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 177.9 | -16.7 | 27.7 | 0 | 0 | 0 | 112.7 | R44 A50 | R44-P46 VanDerWaalsContact C-CD 3.45Å; P46-A50 WeakPolarHBondContact O-CB 3.42Å; P46-A50 PolarHBondContact O-N 3.07Å; P46-A50 VanDerWaalsContact O-N 3.14Å |
| 47 | E | 74.6 | Confident | 73.5 | Confident | 132 Ų | 132 | 103.6 Ų | 103.6 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68 | -42.6 | 177 | -69 | -177.8 | 160.3 | 0 | 0 | 110.7 | R44 E45 L49 A50 E51 | R44-E47 PolarHBondContact O-N 3.23Å; E45-E47 VanDerWaalsContact C-N 3.3Å; E45-E47 PolarHBondContact O-N 3.11Å; E47-L49 PolarHBondContact O-N 3Å; E47-A50 PolarHBondContact O-N 2.99Å; E47-E51 PolarHBondContact O-N 2.8Å |
| 48 | R | 79.5 | Confident | 74.4 | Confident | 123 Ų | 123 | 107.6 Ų | 107.6 | 46% | 0.464 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 177.1 | -163.7 | -169 | 105 | -177.1 | 10.8 | 112.6 | R44 E45 A50 E51 E52 | R44-R48 PolarHBondContact O-N 2.91Å; R44-R48 VanDerWaalsContact O-N 3.16Å; E45-R48 PolarHBondContact O-N 2.82Å; E45-R48 IonicContact OE1-CZ 3.74Å; E45-R48 IonicContact OE1-NE 3Å; E45-R48 IonicContact OE1-NH1 2.85Å; E45-R48 PolarHBondContact OE1-NH1 3.37Å; E45-R48 IonicContact OE2-CZ 2.7Å; E45-R48 IonicContact OE2-NH1 2.89Å; R48-A50 VanDerWaalsContact C-N 3.33Å; R48-A50 PolarHBondContact O-N 3.32Å; R48-E51 PolarHBondContact O-N 3.26Å; R48-E52 PolarHBondContact O-N 3.46Å |
| 49 | L | 77.7 | Confident | 75.2 | Confident | 80 Ų | 80 | 110.7 Ų | 110.7 | 42% | 0.419 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66 | -35.8 | 178.4 | -73.6 | 172.3 | 0 | 0 | 0 | 112.2 | E45 E47 E52 R53 | E45-L49 PolarHBondContact O-N 3.46Å; E47-L49 PolarHBondContact O-N 3Å; L49-E52 PolarHBondContact O-N 3.35Å; L49-R53 WeakPolarHBondContact O-CB 3.37Å; L49-R53 PolarHBondContact O-N 3.47Å |
| 50 | A | 78.7 | Confident | 75.9 | Confident | 42 Ų | 42 | 107 Ų | 107 | 35% | 0.347 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P46 E47 R48 N54 | P46-A50 WeakPolarHBondContact O-CB 3.42Å; P46-A50 PolarHBondContact O-N 3.07Å; P46-A50 VanDerWaalsContact O-N 3.14Å; E47-A50 PolarHBondContact O-N 2.99Å; R48-A50 VanDerWaalsContact C-N 3.33Å; R48-A50 PolarHBondContact O-N 3.32Å; A50-N54 WeakPolarHBondContact O-CB 3.3Å; A50-N54 VanDerWaalsContact O-CG 3.22Å; A50-N54 PolarHBondContact O-N 3.28Å; A50-N54 VanDerWaalsContact O-N 3.12Å; A50-N54 PolarHBondContact O-ND2 2.92Å |
| 51 | E | 79.5 | Confident | 76.7 | Confident | 140 Ų | 140 | 108 Ų | 108 | 65% | 0.654 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64 | -46.7 | 173.9 | -77.2 | 177 | 156.8 | 0 | 0 | 111.8 | E47 R48 R53 N54 Q55 | E47-E51 PolarHBondContact O-N 2.8Å; R48-E51 PolarHBondContact O-N 3.26Å; E51-R53 PolarHBondContact O-N 2.8Å; E51-N54 PolarHBondContact O-N 2.95Å; E51-Q55 WeakPolarHBondContact O-CB 3.3Å; E51-Q55 PolarHBondContact O-N 3.08Å |
| 52 | E | 80.8 | Confident | 77.6 | Confident | 91 Ų | 91 | 107.1 Ų | 107.1 | 43% | 0.425 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | -179.3 | -165.3 | 169.6 | -163.8 | 0 | 0 | 112.2 | R48 L49 N54 Q55 I56 | R48-E52 PolarHBondContact O-N 3.46Å; L49-E52 PolarHBondContact O-N 3.35Å; E52-N54 PolarHBondContact O-N 3.43Å; E52-Q55 WeakPolarHBondContact O-CB 3.47Å; E52-Q55 PolarHBondContact O-N 3.05Å; E52-I56 WeakPolarHBondContact O-CG1 3.34Å; E52-I56 PolarHBondContact O-N 3.18Å |
| 53 | R | 82.1 | Confident | 78.1 | Confident | 156 Ų | 156 | 108.7 Ų | 108.7 | 59% | 0.589 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.4 | -44.6 | 174.3 | -174 | -161.9 | 69.6 | -172.7 | -2.3 | 111.8 | L49 E51 Q55 I56 L57 | L49-R53 WeakPolarHBondContact O-CB 3.37Å; L49-R53 PolarHBondContact O-N 3.47Å; E51-R53 PolarHBondContact O-N 2.8Å; R53-Q55 PolarHBondContact O-N 3.48Å; R53-I56 PolarHBondContact O-N 3.03Å; R53-L57 HydrophobicContact CG-CD1 4.37Å; R53-L57 PolarHBondContact O-N 2.99Å |
| 54 | N | 82.3 | Confident | 78.7 | Confident | 81 Ų | 81 | 107.2 Ų | 107.2 | 43% | 0.433 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -36.9 | 177.9 | -74 | -15.2 | 0 | 0 | 0 | 110.5 | A50 E51 E52 L57 Q58 | A50-N54 WeakPolarHBondContact O-CB 3.3Å; A50-N54 VanDerWaalsContact O-CG 3.22Å; A50-N54 PolarHBondContact O-N 3.28Å; A50-N54 VanDerWaalsContact O-N 3.12Å; A50-N54 PolarHBondContact O-ND2 2.92Å; E51-N54 PolarHBondContact O-N 2.95Å; E52-N54 PolarHBondContact O-N 3.43Å; N54-L57 PolarHBondContact O-N 3.47Å; N54-Q58 VanDerWaalsContact O-CB 3.23Å; N54-Q58 WeakPolarHBondContact O-CB 3.43Å; N54-Q58 PolarHBondContact O-N 3.19Å |
| 55 | Q | 82.9 | Confident | 79 | Confident | 122 Ų | 122 | 106.1 Ų | 106.1 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -44.5 | 176 | -155.4 | 172.1 | 27.4 | 0 | 0 | 112.2 | E51 E52 R53 Q58 Q59 | E51-Q55 WeakPolarHBondContact O-CB 3.3Å; E51-Q55 PolarHBondContact O-N 3.08Å; E52-Q55 WeakPolarHBondContact O-CB 3.47Å; E52-Q55 PolarHBondContact O-N 3.05Å; R53-Q55 PolarHBondContact O-N 3.48Å; Q55-Q58 PolarHBondContact O-N 3.44Å; Q55-Q59 WeakPolarHBondContact O-CB 3.45Å; Q55-Q59 VanDerWaalsContact O-CG 3.32Å; Q55-Q59 WeakPolarHBondContact O-CG 3.19Å; Q55-Q59 PolarHBondContact O-N 2.99Å |
| 56 | I | 80.7 | Confident | 79.2 | Confident | 92 Ų | 92 | 108.1 Ų | 108.1 | 47% | 0.472 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 177.8 | -66.6 | 171.2 | 0 | 0 | 0 | 111.8 | E52 R53 Q58 Q59 T60 | E52-I56 WeakPolarHBondContact O-CG1 3.34Å; E52-I56 PolarHBondContact O-N 3.18Å; R53-I56 PolarHBondContact O-N 3.03Å; I56-Q58 VanDerWaalsContact C-N 3.26Å; I56-Q58 PolarHBondContact O-N 2.98Å; I56-Q59 PolarHBondContact O-N 3.45Å; I56-T60 WeakPolarHBondContact O-CB 3.32Å; I56-T60 PolarHBondContact O-N 3.38Å; I56-T60 PolarHBondContact O-OG1 3.15Å |
| 57 | L | 82.4 | Confident | 79.3 | Confident | 88 Ų | 88 | 106.9 Ų | 106.9 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 175.8 | -81.9 | 170.3 | 0 | 0 | 0 | 111.5 | R53 N54 T60 R61 | R53-L57 HydrophobicContact CG-CD1 4.37Å; R53-L57 PolarHBondContact O-N 2.99Å; N54-L57 PolarHBondContact O-N 3.47Å; L57-T60 PolarHBondContact O-N 2.97Å; L57-R61 WeakPolarHBondContact O-CB 3.45Å; L57-R61 WeakPolarHBondContact O-CG 3.32Å; L57-R61 PolarHBondContact O-N 3.04Å |
| 58 | Q | 80.2 | Confident | 79.7 | Confident | 128 Ų | 128 | 106 Ų | 106 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68 | -45.1 | 175.7 | -163.1 | 153.2 | -13 | 0 | 0 | 110.7 | N54 Q55 I56 T60 R61 E62 | N54-Q58 VanDerWaalsContact O-CB 3.23Å; N54-Q58 WeakPolarHBondContact O-CB 3.43Å; N54-Q58 PolarHBondContact O-N 3.19Å; Q55-Q58 PolarHBondContact O-N 3.44Å; I56-Q58 VanDerWaalsContact C-N 3.26Å; I56-Q58 PolarHBondContact O-N 2.98Å; Q58-T60 VanDerWaalsContact C-N 3.32Å; Q58-T60 PolarHBondContact O-N 3.35Å; Q58-R61 PolarHBondContact O-N 3.01Å; Q58-E62 WeakPolarHBondContact O-CB 3.34Å; Q58-E62 PolarHBondContact O-N 3.44Å |
| 59 | Q | 81.8 | Confident | 79.8 | Confident | 114 Ų | 114 | 105.1 Ų | 105.1 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.7 | -40 | 173.4 | -75.6 | 175.7 | -7.2 | 0 | 0 | 112.8 | Q55 I56 E62 L63 | Q55-Q59 WeakPolarHBondContact O-CB 3.45Å; Q55-Q59 VanDerWaalsContact O-CG 3.32Å; Q55-Q59 WeakPolarHBondContact O-CG 3.19Å; Q55-Q59 PolarHBondContact O-N 2.99Å; I56-Q59 PolarHBondContact O-N 3.45Å; Q59-E62 PolarHBondContact O-N 2.91Å; Q59-L63 VanDerWaalsContact O-CB 3.24Å; Q59-L63 WeakPolarHBondContact O-CB 3.37Å; Q59-L63 PolarHBondContact O-N 2.87Å |
| 60 | T | 79.6 | Confident | 80 | Confident | 81 Ų | 81 | 105 Ų | 105 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.1 | -41.2 | -180 | -50.6 | 0 | 0 | 0 | 0 | 111.3 | I56 L57 Q58 E62 L63 A64 | I56-T60 WeakPolarHBondContact O-CB 3.32Å; I56-T60 PolarHBondContact O-N 3.38Å; I56-T60 PolarHBondContact O-OG1 3.15Å; L57-T60 PolarHBondContact O-N 2.97Å; Q58-T60 VanDerWaalsContact C-N 3.32Å; Q58-T60 PolarHBondContact O-N 3.35Å; T60-E62 VanDerWaalsContact C-N 3.33Å; T60-L63 PolarHBondContact O-N 3.43Å; T60-A64 VanDerWaalsContact O-CB 3.3Å; T60-A64 WeakPolarHBondContact O-CB 3.31Å; T60-A64 PolarHBondContact O-N 2.95Å |
| 61 | R | 79.1 | Confident | 80.2 | Confident | 193 Ų | 193 | 109.7 Ų | 109.7 | 73% | 0.728 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.9 | -40.2 | 173.1 | -80.1 | -179.6 | 173.4 | 166.4 | -0.5 | 111.4 | L57 Q58 A64 F65 | L57-R61 WeakPolarHBondContact O-CB 3.45Å; L57-R61 WeakPolarHBondContact O-CG 3.32Å; L57-R61 PolarHBondContact O-N 3.04Å; Q58-R61 PolarHBondContact O-N 3.01Å; R61-A64 PolarHBondContact O-N 3.09Å; R61-F65 WeakPolarHBondContact O-CB 3.47Å; R61-F65 PolarHBondContact O-N 3.49Å |
| 62 | E | 79.4 | Confident | 80.4 | Confident | 126 Ų | 126 | 107.3 Ų | 107.3 | 59% | 0.589 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.2 | -36 | 178.5 | -162.1 | 159.9 | -143 | 0 | 0 | 110.7 | Q58 Q59 T60 F65 S66 | Q58-E62 WeakPolarHBondContact O-CB 3.34Å; Q58-E62 PolarHBondContact O-N 3.44Å; Q59-E62 PolarHBondContact O-N 2.91Å; T60-E62 VanDerWaalsContact C-N 3.33Å; E62-F65 PolarHBondContact O-N 3.4Å; E62-S66 WeakPolarHBondContact O-CA 3.45Å; E62-S66 WeakPolarHBondContact O-CB 3.47Å; E62-S66 PolarHBondContact O-N 2.73Å; E62-S66 PolarHBondContact O-OG 3.43Å |
| 63 | L | 77.9 | Confident | 80.6 | Confident | 108 Ų | 108 | 110.9 Ų | 110.9 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.6 | -41.5 | 172.8 | -166.4 | 76 | 0 | 0 | 0 | 112.3 | Q59 T60 F65 S66 N67 | Q59-L63 VanDerWaalsContact O-CB 3.24Å; Q59-L63 WeakPolarHBondContact O-CB 3.37Å; Q59-L63 PolarHBondContact O-N 2.87Å; T60-L63 PolarHBondContact O-N 3.43Å; L63-F65 VanDerWaalsContact C-N 3.35Å; L63-S66 WeakPolarHBondContact CA-OG 3.47Å; L63-S66 PolarHBondContact O-OG 3.27Å; L63-N67 WeakPolarHBondContact CD1-ND2 3.35Å; L63-N67 VanDerWaalsContact O-CB 3.3Å; L63-N67 WeakPolarHBondContact O-CB 3.43Å; L63-N67 PolarHBondContact O-N 2.84Å; L63-N67 VanDerWaalsContact O-N 3.08Å; L63-N67 PolarHBondContact O-ND2 3.46Å |
| 64 | A | 76.3 | Confident | 80.8 | Confident | 51 Ų | 51 | 107.3 Ų | 107.3 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T60 R61 Y68 | T60-A64 VanDerWaalsContact O-CB 3.3Å; T60-A64 WeakPolarHBondContact O-CB 3.31Å; T60-A64 PolarHBondContact O-N 2.95Å; R61-A64 PolarHBondContact O-N 3.09Å; A64-Y68 WeakPolarHBondContact O-CA 3.42Å; A64-Y68 VanDerWaalsContact O-CB 3.25Å; A64-Y68 WeakPolarHBondContact O-CB 3.37Å; A64-Y68 PolarHBondContact O-N 3.33Å |
| 65 | F | 76.6 | Confident | 80.9 | Confident | 163 Ų | 163 | 106.3 Ų | 106.3 | 72% | 0.715 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -80.8 | -33.6 | 178.9 | -164.9 | -89.4 | 0 | 0 | 0 | 112.7 | R61 E62 L63 N67 Y68 | R61-F65 WeakPolarHBondContact O-CB 3.47Å; R61-F65 PolarHBondContact O-N 3.49Å; E62-F65 PolarHBondContact O-N 3.4Å; L63-F65 VanDerWaalsContact C-N 3.35Å; F65-N67 VanDerWaalsContact C-N 3.29Å; F65-N67 PolarHBondContact O-N 2.87Å; F65-Y68 VanDerWaalsContact O-CD1 3.3Å; F65-Y68 WeakPolarHBondContact O-CD1 3.42Å |
| 66 | S | 76.4 | Confident | 81.1 | Confident | 75 Ų | 75 | 104.2 Ų | 104.2 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70 | -31.5 | 174.9 | 70.8 | 0 | 0 | 0 | 0 | 111 | E62 L63 | E62-S66 WeakPolarHBondContact O-CA 3.45Å; E62-S66 WeakPolarHBondContact O-CB 3.47Å; E62-S66 PolarHBondContact O-N 2.73Å; E62-S66 PolarHBondContact O-OG 3.43Å; L63-S66 WeakPolarHBondContact CA-OG 3.47Å; L63-S66 PolarHBondContact O-OG 3.27Å |
| 67 | N | 77.6 | Confident | 81.3 | Confident | 59 Ų | 59 | 103.2 Ų | 103.2 | 32% | 0.316 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -115.2 | 12.8 | -174 | -59.6 | -56.5 | 0 | 0 | 0 | 114.8 | L63 F65 Q69 T70 F71 | L63-N67 WeakPolarHBondContact CD1-ND2 3.35Å; L63-N67 VanDerWaalsContact O-CB 3.3Å; L63-N67 WeakPolarHBondContact O-CB 3.43Å; L63-N67 PolarHBondContact O-N 2.84Å; L63-N67 VanDerWaalsContact O-N 3.08Å; L63-N67 PolarHBondContact O-ND2 3.46Å; F65-N67 VanDerWaalsContact C-N 3.29Å; F65-N67 PolarHBondContact O-N 2.87Å; N67-Q69 PolarHBondContact O-N 3.27Å; N67-T70 WeakPolarHBondContact O-CB 3.49Å; N67-T70 PolarHBondContact O-N 2.94Å; N67-F71 HydrophobicContact CB-CE2 4.35Å; N67-F71 WeakPolarHBondContact O-CD2 3.37Å; N67-F71 PolarHBondContact O-N 3.46Å |
| 68 | Y | 82.8 | Confident | 81.6 | Confident | 112 Ų | 112 | 102.6 Ų | 102.6 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.1 | -35.9 | -179.7 | 86.2 | -88.5 | 0 | 0 | 0 | 112.2 | A64 F65 T70 F71 I72 | A64-Y68 WeakPolarHBondContact O-CA 3.42Å; A64-Y68 VanDerWaalsContact O-CB 3.25Å; A64-Y68 WeakPolarHBondContact O-CB 3.37Å; A64-Y68 PolarHBondContact O-N 3.33Å; F65-Y68 VanDerWaalsContact O-CD1 3.3Å; F65-Y68 WeakPolarHBondContact O-CD1 3.42Å; Y68-T70 VanDerWaalsContact C-N 3.26Å; Y68-T70 PolarHBondContact O-N 2.86Å; Y68-F71 PolarHBondContact O-N 3.37Å; Y68-I72 HydrophobicContact CD2-CD1 3.71Å; Y68-I72 HydrophobicContact CE2-CD1 4.06Å; Y68-I72 WeakPolarHBondContact O-CG1 3.34Å; Y68-I72 PolarHBondContact O-N 3.14Å |
| 69 | Q | 81.8 | Confident | 81.9 | Confident | 105 Ų | 105 | 103.3 Ų | 103.3 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | 175.9 | -72.9 | -168.4 | -1.7 | 0 | 0 | 111.9 | N67 R73 | N67-Q69 PolarHBondContact O-N 3.27Å; Q69-R73 VanDerWaalsContact O-CB 3.27Å; Q69-R73 WeakPolarHBondContact O-CB 3.43Å; Q69-R73 WeakPolarHBondContact O-CG 3.47Å; Q69-R73 PolarHBondContact O-N 2.96Å |
| 70 | T | 82.4 | Confident | 82.2 | Confident | 79 Ų | 79 | 102.5 Ų | 102.5 | 49% | 0.485 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 177 | -49.7 | 0 | 0 | 0 | 0 | 110.1 | N67 Y68 R73 T74 | N67-T70 WeakPolarHBondContact O-CB 3.49Å; N67-T70 PolarHBondContact O-N 2.94Å; Y68-T70 VanDerWaalsContact C-N 3.26Å; Y68-T70 PolarHBondContact O-N 2.86Å; T70-R73 PolarHBondContact O-N 3.36Å; T70-T74 WeakPolarHBondContact O-CB 3.48Å; T70-T74 PolarHBondContact O-N 3Å; T70-T74 PolarHBondContact O-OG1 3.37Å |
| 71 | F | 82.6 | Confident | 82.7 | Confident | 140 Ų | 140 | 103 Ų | 103 | 61% | 0.614 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -43.8 | 177.8 | -69.6 | -62 | 0 | 0 | 0 | 113.3 | N67 Y68 T74 A75 | N67-F71 HydrophobicContact CB-CE2 4.35Å; N67-F71 WeakPolarHBondContact O-CD2 3.37Å; N67-F71 PolarHBondContact O-N 3.46Å; Y68-F71 PolarHBondContact O-N 3.37Å; F71-T74 PolarHBondContact O-N 3.49Å; F71-A75 PolarHBondContact O-N 3.17Å |
| 72 | I | 83.4 | Confident | 83.1 | Confident | 89 Ų | 89 | 102.6 Ų | 102.6 | 46% | 0.456 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 175.6 | -65.5 | 176.4 | 0 | 0 | 0 | 109.9 | Y68 T74 A75 D76 | Y68-I72 HydrophobicContact CD2-CD1 3.71Å; Y68-I72 HydrophobicContact CE2-CD1 4.06Å; Y68-I72 WeakPolarHBondContact O-CG1 3.34Å; Y68-I72 PolarHBondContact O-N 3.14Å; I72-T74 VanDerWaalsContact C-N 3.28Å; I72-T74 PolarHBondContact O-N 2.94Å; I72-A75 PolarHBondContact O-N 2.99Å; I72-A75 VanDerWaalsContact O-N 3.14Å; I72-D76 WeakPolarHBondContact O-CB 3.29Å; I72-D76 VanDerWaalsContact O-CG 3.31Å; I72-D76 PolarHBondContact O-N 2.99Å |
| 73 | R | 84.6 | Confident | 83.6 | Confident | 167 Ų | 167 | 102.7 Ų | 102.7 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.3 | -39 | 176.8 | -75.2 | 177.3 | -178.5 | -172.3 | 3.7 | 112.1 | Q69 T70 C77 | Q69-R73 VanDerWaalsContact O-CB 3.27Å; Q69-R73 WeakPolarHBondContact O-CB 3.43Å; Q69-R73 WeakPolarHBondContact O-CG 3.47Å; Q69-R73 PolarHBondContact O-N 2.96Å; T70-R73 PolarHBondContact O-N 3.36Å; R73-C77 WeakPolarHBondContact O-CB 3.27Å; R73-C77 PolarHBondContact O-N 3.38Å; R73-C77 PolarHBondContact O-SG 3.18Å |
| 74 | T | 86.1 | Confident | 84.2 | Confident | 81 Ų | 81 | 101.2 Ų | 101.2 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 176.6 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | T70 F71 I72 T78 | T70-T74 WeakPolarHBondContact O-CB 3.48Å; T70-T74 PolarHBondContact O-N 3Å; T70-T74 PolarHBondContact O-OG1 3.37Å; F71-T74 PolarHBondContact O-N 3.49Å; I72-T74 VanDerWaalsContact C-N 3.28Å; I72-T74 PolarHBondContact O-N 2.94Å; T74-T78 WeakPolarHBondContact O-CB 3.46Å; T74-T78 PolarHBondContact O-N 3.35Å; T74-T78 PolarHBondContact O-OG1 3.15Å |
| 75 | A | 85.4 | Confident | 84.9 | Confident | 60 Ų | 60 | 105.5 Ų | 105.5 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -48.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F71 I72 C77 T78 E79 | F71-A75 PolarHBondContact O-N 3.17Å; I72-A75 PolarHBondContact O-N 2.99Å; I72-A75 VanDerWaalsContact O-N 3.14Å; A75-C77 PolarHBondContact O-N 3.19Å; A75-T78 WeakPolarHBondContact O-CB 3.4Å; A75-T78 PolarHBondContact O-N 3.44Å; A75-T78 VanDerWaalsContact O-N 3.08Å; A75-E79 PolarHBondContact O-N 3.32Å |
| 76 | D | 85.7 | Confident | 85.6 | Confident | 77 Ų | 77 | 99.5 Ų | 99.5 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 177 | -68 | -15.4 | 0 | 0 | 0 | 110.7 | I72 T78 E79 H80 | I72-D76 WeakPolarHBondContact O-CB 3.29Å; I72-D76 VanDerWaalsContact O-CG 3.31Å; I72-D76 PolarHBondContact O-N 2.99Å; D76-T78 VanDerWaalsContact C-N 3.25Å; D76-T78 PolarHBondContact O-N 3.36Å; D76-E79 PolarHBondContact O-N 2.66Å; D76-H80 WeakPolarHBondContact O-CB 3.45Å; D76-H80 PolarHBondContact O-CD2 2.8Å; D76-H80 PolarHBondContact O-N 3.39Å |
| 77 | C | 85.9 | Confident | 86.3 | Confident | 71 Ų | 71 | 103.4 Ų | 103.4 | 48% | 0.48 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.4 | -38.4 | 175.6 | -77 | 0 | 0 | 0 | 0 | 111.9 | R73 A75 H80 I81 | R73-C77 WeakPolarHBondContact O-CB 3.27Å; R73-C77 PolarHBondContact O-N 3.38Å; R73-C77 PolarHBondContact O-SG 3.18Å; A75-C77 PolarHBondContact O-N 3.19Å; C77-H80 PolarHBondContact O-N 3.49Å; C77-I81 WeakPolarHBondContact O-CB 3.41Å; C77-I81 WeakPolarHBondContact O-CD1 3.31Å; C77-I81 WeakPolarHBondContact O-CG1 3.32Å; C77-I81 PolarHBondContact O-N 3.45Å |
| 78 | T | 87.3 | Confident | 87 | Confident | 76 Ų | 76 | 104.6 Ų | 104.6 | 47% | 0.466 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 178.7 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | T74 A75 D76 I81 Y82 | T74-T78 WeakPolarHBondContact O-CB 3.46Å; T74-T78 PolarHBondContact O-N 3.35Å; T74-T78 PolarHBondContact O-OG1 3.15Å; A75-T78 WeakPolarHBondContact O-CB 3.4Å; A75-T78 PolarHBondContact O-N 3.44Å; A75-T78 VanDerWaalsContact O-N 3.08Å; D76-T78 VanDerWaalsContact C-N 3.25Å; D76-T78 PolarHBondContact O-N 3.36Å; T78-I81 PolarHBondContact O-N 2.85Å; T78-Y82 PolarHBondContact O-N 3.24Å |
| 79 | E | 87.1 | Confident | 87.4 | Confident | 142 Ų | 142 | 105.7 Ų | 105.7 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63 | -45.5 | 174.7 | -171.7 | -174.3 | 163 | 0 | 0 | 111.4 | A75 D76 I81 Y82 R83 | A75-E79 PolarHBondContact O-N 3.32Å; D76-E79 PolarHBondContact O-N 2.66Å; E79-I81 VanDerWaalsContact C-N 3.34Å; E79-I81 PolarHBondContact O-N 3.15Å; E79-Y82 PolarHBondContact O-N 3.17Å; E79-R83 PolarHBondContact O-N 3.48Å |
| 80 | H | 89.3 | Confident | 87.9 | Confident | 97 Ų | 97 | 102.1 Ų | 102.1 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 175 | -84.2 | -72.8 | 0 | 0 | 0 | 111.9 | D76 C77 Y82 R83 D84 | D76-H80 WeakPolarHBondContact O-CB 3.45Å; D76-H80 PolarHBondContact O-CD2 2.8Å; D76-H80 PolarHBondContact O-N 3.39Å; C77-H80 PolarHBondContact O-N 3.49Å; H80-Y82 PolarHBondContact O-N 3.08Å; H80-R83 PolarHBondContact ND1-NH2 3.22Å; H80-R83 PolarHBondContact O-N 3Å; H80-D84 WeakPolarHBondContact O-CB 3.31Å; H80-D84 PolarHBondContact O-N 3.16Å |
| 81 | I | 89.1 | Confident | 88.3 | Confident | 91 Ų | 91 | 101.1 Ų | 101.1 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 177 | -74.2 | 166.1 | 0 | 0 | 0 | 110.8 | C77 T78 E79 R83 D84 F85 | C77-I81 WeakPolarHBondContact O-CB 3.41Å; C77-I81 WeakPolarHBondContact O-CD1 3.31Å; C77-I81 WeakPolarHBondContact O-CG1 3.32Å; C77-I81 PolarHBondContact O-N 3.45Å; T78-I81 PolarHBondContact O-N 2.85Å; E79-I81 VanDerWaalsContact C-N 3.34Å; E79-I81 PolarHBondContact O-N 3.15Å; I81-R83 VanDerWaalsContact C-N 3.34Å; I81-R83 PolarHBondContact O-N 3.07Å; I81-D84 PolarHBondContact O-N 2.68Å; I81-F85 HydrophobicContact CG2-CD2 3.48Å; I81-F85 VanDerWaalsContact CG2-CD2 3.48Å; I81-F85 HydrophobicContact CG2-CE2 3.44Å; I81-F85 VanDerWaalsContact CG2-CE2 3.44Å; I81-F85 VanDerWaalsContact O-CD2 3.24Å; I81-F85 WeakPolarHBondContact O-CD2 3.18Å; I81-F85 PolarHBondContact O-N 3.49Å |
| 82 | Y | 88.5 | Confident | 88.8 | Confident | 186 Ų | 186 | 97.9 Ų | 97.9 | 73% | 0.729 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 179.5 | -125.9 | -84.1 | 0 | 0 | 0 | 112.2 | T78 E79 H80 F85 G86 | T78-Y82 PolarHBondContact O-N 3.24Å; E79-Y82 PolarHBondContact O-N 3.17Å; H80-Y82 PolarHBondContact O-N 3.08Å; Y82-F85 PolarHBondContact O-N 2.9Å; Y82-G86 PolarHBondContact O-N 3.42Å |
| 83 | R | 89.9 | Confident | 89.2 | Confident | 127 Ų | 127 | 96.3 Ų | 96.3 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 176.8 | -170.5 | -177.5 | 69.8 | -174.1 | 0.1 | 111.9 | E79 H80 I81 G86 R87 | E79-R83 PolarHBondContact O-N 3.48Å; H80-R83 PolarHBondContact ND1-NH2 3.22Å; H80-R83 PolarHBondContact O-N 3Å; I81-R83 VanDerWaalsContact C-N 3.34Å; I81-R83 PolarHBondContact O-N 3.07Å; R83-G86 PolarHBondContact O-N 3.43Å; R83-R87 WeakPolarHBondContact O-CG 3.3Å; R83-R87 PolarHBondContact O-N 3.37Å |
| 84 | D | 90.4 | Very high | 89.5 | Confident | 77 Ų | 77 | 95.5 Ų | 95.5 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.1 | -38.5 | 178.6 | -71.7 | -14.2 | 0 | 0 | 0 | 111.1 | H80 I81 G86 R87 V88 | H80-D84 WeakPolarHBondContact O-CB 3.31Å; H80-D84 PolarHBondContact O-N 3.16Å; I81-D84 PolarHBondContact O-N 2.68Å; D84-G86 PolarHBondContact O-N 3.05Å; D84-R87 WeakPolarHBondContact O-CB 3.3Å; D84-R87 PolarHBondContact O-N 3.39Å; D84-V88 WeakPolarHBondContact O-CG2 3.33Å; D84-V88 PolarHBondContact O-N 3.07Å |
| 85 | F | 90.8 | Very high | 89.8 | Confident | 141 Ų | 141 | 96.7 Ų | 96.7 | 62% | 0.618 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.7 | -42.9 | 170.8 | -87.6 | -67.7 | 0 | 0 | 0 | 112.5 | I81 Y82 R87 V88 E89 | I81-F85 HydrophobicContact CG2-CD2 3.48Å; I81-F85 VanDerWaalsContact CG2-CD2 3.48Å; I81-F85 HydrophobicContact CG2-CE2 3.44Å; I81-F85 VanDerWaalsContact CG2-CE2 3.44Å; I81-F85 VanDerWaalsContact O-CD2 3.24Å; I81-F85 WeakPolarHBondContact O-CD2 3.18Å; I81-F85 PolarHBondContact O-N 3.49Å; Y82-F85 PolarHBondContact O-N 2.9Å; F85-R87 VanDerWaalsContact C-N 3.3Å; F85-R87 PolarHBondContact O-N 3.12Å; F85-V88 PolarHBondContact O-N 3Å; F85-V88 VanDerWaalsContact O-N 3.16Å; F85-E89 WeakPolarHBondContact O-CB 3.45Å; F85-E89 PolarHBondContact O-N 2.93Å |
| 86 | G | 90.9 | Very high | 90.1 | Very high | 37 Ų | 37 | 99.3 Ų | 99.3 | 38% | 0.381 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y82 R83 D84 G90 | Y82-G86 PolarHBondContact O-N 3.42Å; R83-G86 PolarHBondContact O-N 3.43Å; D84-G86 PolarHBondContact O-N 3.05Å; G86-G90 PolarHBondContact O-N 3.38Å |
| 87 | R | 91.6 | Very high | 90.3 | Very high | 158 Ų | 158 | 100.9 Ų | 100.9 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.3 | -39 | 172.9 | -74.2 | 177.2 | 176.1 | -168.8 | -0.9 | 112.5 | R83 D84 F85 S91 | R83-R87 WeakPolarHBondContact O-CG 3.3Å; R83-R87 PolarHBondContact O-N 3.37Å; D84-R87 WeakPolarHBondContact O-CB 3.3Å; D84-R87 PolarHBondContact O-N 3.39Å; F85-R87 VanDerWaalsContact C-N 3.3Å; F85-R87 PolarHBondContact O-N 3.12Å; R87-S91 WeakPolarHBondContact O-CB 3.42Å; R87-S91 PolarHBondContact O-N 2.83Å; R87-S91 PolarHBondContact O-OG 3.45Å |
| 88 | V | 91.4 | Very high | 90.6 | Very high | 83 Ų | 83 | 104.3 Ų | 104.3 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -48.7 | 175.7 | 170 | 0 | 0 | 0 | 0 | 109.5 | D84 F85 G90 S91 V92 | D84-V88 WeakPolarHBondContact O-CG2 3.33Å; D84-V88 PolarHBondContact O-N 3.07Å; F85-V88 PolarHBondContact O-N 3Å; F85-V88 VanDerWaalsContact O-N 3.16Å; V88-G90 PolarHBondContact O-N 3.01Å; V88-S91 CarbonylContact O-C 3.6Å; V88-S91 PolarHBondContact O-N 3.43Å; V88-V92 HydrophobicContact CG1-CG2 4.17Å; V88-V92 VanDerWaalsContact O-CG2 3.31Å; V88-V92 WeakPolarHBondContact O-CG2 3.4Å; V88-V92 PolarHBondContact O-N 3.2Å |
| 89 | E | 91.2 | Very high | 90.8 | Very high | 135 Ų | 135 | 105.6 Ų | 105.6 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.9 | -47.7 | 176.8 | -175.6 | -178.2 | -169.7 | 0 | 0 | 111.9 | F85 S91 V92 S93 | F85-E89 WeakPolarHBondContact O-CB 3.45Å; F85-E89 PolarHBondContact O-N 2.93Å; E89-S91 VanDerWaalsContact C-N 3.27Å; E89-S91 PolarHBondContact O-N 3.31Å; E89-V92 PolarHBondContact O-N 3.12Å; E89-S93 WeakPolarHBondContact O-CB 3.38Å; E89-S93 PolarHBondContact O-N 2.67Å; E89-S93 PolarHBondContact O-OG 3.39Å |
| 90 | G | 92.3 | Very high | 91 | Very high | 31 Ų | 31 | 103 Ų | 103 | 32% | 0.32 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -30.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G86 V88 R94 | G86-G90 PolarHBondContact O-N 3.38Å; V88-G90 PolarHBondContact O-N 3.01Å; G90-R94 WeakPolarHBondContact O-CG 3.39Å; G90-R94 PolarHBondContact O-N 3.03Å; G90-R94 PolarHBondContact O-NE 2.7Å; G90-R94 VanDerWaalsContact O-NE 3.16Å |
| 91 | S | 90.9 | Very high | 91.1 | Very high | 57 Ų | 57 | 107 Ų | 107 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -78.2 | -38.8 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | R87 V88 E89 R94 L95 | R87-S91 WeakPolarHBondContact O-CB 3.42Å; R87-S91 PolarHBondContact O-N 2.83Å; R87-S91 PolarHBondContact O-OG 3.45Å; V88-S91 CarbonylContact O-C 3.6Å; V88-S91 PolarHBondContact O-N 3.43Å; E89-S91 VanDerWaalsContact C-N 3.27Å; E89-S91 PolarHBondContact O-N 3.31Å; S91-R94 PolarHBondContact O-N 2.93Å; S91-R94 PolarHBondContact OG-NH2 3.3Å; S91-R94 VanDerWaalsContact OG-NH2 3.16Å; S91-L95 PolarHBondContact O-N 3.35Å |
| 92 | V | 92.2 | Very high | 91.2 | Very high | 72 Ų | 72 | 109.3 Ų | 109.3 | 44% | 0.436 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 173.8 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | V88 E89 R94 L95 L96 | V88-V92 HydrophobicContact CG1-CG2 4.17Å; V88-V92 VanDerWaalsContact O-CG2 3.31Å; V88-V92 WeakPolarHBondContact O-CG2 3.4Å; V88-V92 PolarHBondContact O-N 3.2Å; E89-V92 PolarHBondContact O-N 3.12Å; V92-R94 PolarHBondContact O-N 2.95Å; V92-L95 WeakPolarHBondContact O-CB 3.25Å; V92-L95 PolarHBondContact O-N 2.87Å; V92-L95 VanDerWaalsContact O-N 3.11Å; V92-L96 HydrophobicContact CG1-CD1 4.02Å; V92-L96 HydrophobicContact CG1-CG 4.37Å; V92-L96 WeakPolarHBondContact O-CG 3.38Å; V92-L96 PolarHBondContact O-N 2.9Å |
| 93 | S | 92.1 | Very high | 91.4 | Very high | 57 Ų | 57 | 101.7 Ų | 101.7 | 40% | 0.399 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 176.8 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | E89 L95 L96 D97 | E89-S93 WeakPolarHBondContact O-CB 3.38Å; E89-S93 PolarHBondContact O-N 2.67Å; E89-S93 PolarHBondContact O-OG 3.39Å; S93-L95 VanDerWaalsContact C-N 3.26Å; S93-L95 PolarHBondContact O-N 3.04Å; S93-L96 PolarHBondContact O-N 2.92Å; S93-D97 PolarHBondContact O-N 3.38Å |
| 94 | R | 92.3 | Very high | 91.5 | Very high | 149 Ų | 149 | 101.5 Ų | 101.5 | 56% | 0.562 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -32.3 | 174.8 | -73.8 | -178.7 | -64.6 | -161.8 | 3.8 | 113 | G90 S91 V92 K98 | G90-R94 WeakPolarHBondContact O-CG 3.39Å; G90-R94 PolarHBondContact O-N 3.03Å; G90-R94 PolarHBondContact O-NE 2.7Å; G90-R94 VanDerWaalsContact O-NE 3.16Å; S91-R94 PolarHBondContact O-N 2.93Å; S91-R94 PolarHBondContact OG-NH2 3.3Å; S91-R94 VanDerWaalsContact OG-NH2 3.16Å; V92-R94 PolarHBondContact O-N 2.95Å; R94-K98 WeakPolarHBondContact O-CB 3.21Å; R94-K98 VanDerWaalsContact O-CG 3.28Å; R94-K98 WeakPolarHBondContact O-CG 3.29Å; R94-K98 PolarHBondContact O-N 3.3Å; R94-K98 VanDerWaalsContact O-N 3.13Å |
| 95 | L | 92.1 | Very high | 91.6 | Very high | 107 Ų | 107 | 107.1 Ų | 107.1 | 56% | 0.56 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.5 | -45.9 | 175.7 | -177.8 | 63.1 | 0 | 0 | 0 | 110.8 | S91 V92 S93 D97 K98 L99 | S91-L95 PolarHBondContact O-N 3.35Å; V92-L95 WeakPolarHBondContact O-CB 3.25Å; V92-L95 PolarHBondContact O-N 2.87Å; V92-L95 VanDerWaalsContact O-N 3.11Å; S93-L95 VanDerWaalsContact C-N 3.26Å; S93-L95 PolarHBondContact O-N 3.04Å; L95-D97 VanDerWaalsContact C-N 3.27Å; L95-D97 PolarHBondContact O-N 3.21Å; L95-K98 PolarHBondContact O-N 3.26Å; L95-L99 WeakPolarHBondContact O-CB 3.3Å; L95-L99 PolarHBondContact O-N 3.32Å |
| 96 | L | 90.4 | Very high | 91.7 | Very high | 114 Ų | 114 | 102.5 Ų | 102.5 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.5 | -35.6 | 176.5 | -72.5 | 172.1 | 0 | 0 | 0 | 112.2 | V92 S93 P100 | V92-L96 HydrophobicContact CG1-CD1 4.02Å; V92-L96 HydrophobicContact CG1-CG 4.37Å; V92-L96 WeakPolarHBondContact O-CG 3.38Å; V92-L96 PolarHBondContact O-N 2.9Å; S93-L96 PolarHBondContact O-N 2.92Å; L96-P100 WeakPolarHBondContact O-CD 3.35Å; L96-P100 WeakPolarHBondContact O-CG 3.4Å |
| 97 | D | 90 | Very high | 91.8 | Very high | 110 Ų | 110 | 109.2 Ų | 109.2 | 59% | 0.588 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -73.8 | -39.4 | 176.1 | -72.1 | -19.5 | 0 | 0 | 0 | 113.3 | S93 L95 | S93-D97 PolarHBondContact O-N 3.38Å; L95-D97 VanDerWaalsContact C-N 3.27Å; L95-D97 PolarHBondContact O-N 3.21Å |
| 98 | K | 92.5 | Very high | 91.8 | Very high | 144 Ų | 144 | 104.9 Ų | 104.9 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -85.4 | -31.8 | -173.3 | -72.3 | -178.9 | 179.8 | -175.1 | 0 | 113.4 | R94 L95 R101 F102 | R94-K98 WeakPolarHBondContact O-CB 3.21Å; R94-K98 VanDerWaalsContact O-CG 3.28Å; R94-K98 WeakPolarHBondContact O-CG 3.29Å; R94-K98 PolarHBondContact O-N 3.3Å; R94-K98 VanDerWaalsContact O-N 3.13Å; L95-K98 PolarHBondContact O-N 3.26Å; K98-R101 PolarHBondContact O-N 3.2Å; K98-F102 WeakPolarHBondContact O-CB 3.36Å; K98-F102 PolarHBondContact O-N 3.47Å |
| 99 | L | 92.4 | Very high | 92 | Very high | 103 Ų | 103 | 107.7 Ų | 107.7 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | -175.1 | -170.8 | 71.8 | 0 | 0 | 0 | 113 | L95 F102 G103 | L95-L99 WeakPolarHBondContact O-CB 3.3Å; L95-L99 PolarHBondContact O-N 3.32Å; L99-F102 PolarHBondContact O-N 2.92Å; L99-G103 PolarHBondContact O-N 3.1Å |
| 100 | P | 91.6 | Very high | 92.2 | Very high | 87 Ų | 87 | 106.5 Ų | 106.5 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 175.6 | -22.4 | 34.3 | 0 | 0 | 0 | 112.4 | L96 F102 G103 E104 | L96-P100 WeakPolarHBondContact O-CD 3.35Å; L96-P100 WeakPolarHBondContact O-CG 3.4Å; P100-F102 VanDerWaalsContact C-N 3.32Å; P100-F102 PolarHBondContact O-N 2.78Å; P100-G103 PolarHBondContact O-N 2.95Å; P100-E104 PolarHBondContact O-N 3.01Å |
| 101 | R | 89.8 | Confident | 92.2 | Very high | 182 Ų | 182 | 108.7 Ų | 108.7 | 69% | 0.687 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.7 | -37.6 | 177.3 | -65.7 | -177.2 | -179.8 | -173 | 1.4 | 112.1 | K98 R105 | K98-R101 PolarHBondContact O-N 3.2Å; R101-R105 WeakPolarHBondContact O-CB 3.44Å; R101-R105 WeakPolarHBondContact O-CG 3.44Å; R101-R105 PolarHBondContact O-N 3.04Å |
| 102 | F | 92 | Very high | 92.4 | Very high | 139 Ų | 139 | 110.9 Ų | 110.9 | 61% | 0.61 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -46.5 | 173.2 | 179.3 | -105.7 | 0 | 0 | 0 | 110.9 | K98 L99 P100 E104 R105 C106 | K98-F102 WeakPolarHBondContact O-CB 3.36Å; K98-F102 PolarHBondContact O-N 3.47Å; L99-F102 PolarHBondContact O-N 2.92Å; P100-F102 VanDerWaalsContact C-N 3.32Å; P100-F102 PolarHBondContact O-N 2.78Å; F102-E104 VanDerWaalsContact C-N 3.34Å; F102-E104 PolarHBondContact O-N 3.19Å; F102-R105 PolarHBondContact O-N 2.93Å; F102-C106 WeakPolarHBondContact CZ-SG 3.3Å; F102-C106 WeakPolarHBondContact O-CB 3.47Å; F102-C106 PolarHBondContact O-N 3.25Å; F102-C106 PolarHBondContact O-SG 3.37Å |
| 103 | G | 92.1 | Very high | 92.5 | Very high | 25 Ų | 25 | 109.3 Ų | 109.3 | 26% | 0.258 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L99 P100 C106 R107 | L99-G103 PolarHBondContact O-N 3.1Å; P100-G103 PolarHBondContact O-N 2.95Å; G103-C106 PolarHBondContact O-N 3.45Å; G103-R107 WeakPolarHBondContact O-CG 3.3Å; G103-R107 PolarHBondContact O-N 3.36Å; G103-R107 VanDerWaalsContact O-N 3.08Å |
| 104 | E | 91.9 | Very high | 92.6 | Very high | 124 Ų | 124 | 112.5 Ų | 112.5 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.8 | -49.4 | 175.2 | -172.2 | 174.9 | -161.6 | 0 | 0 | 111.7 | P100 F102 C106 R107 T108 | P100-E104 PolarHBondContact O-N 3.01Å; F102-E104 VanDerWaalsContact C-N 3.34Å; F102-E104 PolarHBondContact O-N 3.19Å; E104-C106 VanDerWaalsContact C-N 3.28Å; E104-C106 PolarHBondContact O-N 3.24Å; E104-R107 WeakPolarHBondContact O-CB 3.44Å; E104-R107 PolarHBondContact O-N 2.94Å; E104-T108 PolarHBondContact O-N 3.44Å; E104-T108 PolarHBondContact O-OG1 3.19Å |
| 105 | R | 93.1 | Very high | 92.7 | Very high | 195 Ų | 195 | 111.5 Ų | 111.5 | 74% | 0.736 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.7 | -37.1 | 175.7 | -74.5 | 179.8 | 177.8 | -165.1 | -2.2 | 112.9 | R101 F102 T108 F109 | R101-R105 WeakPolarHBondContact O-CB 3.44Å; R101-R105 WeakPolarHBondContact O-CG 3.44Å; R101-R105 PolarHBondContact O-N 3.04Å; F102-R105 PolarHBondContact O-N 2.93Å; R105-T108 PolarHBondContact O-N 3.3Å; R105-F109 VanDerWaalsContact O-CB 3.28Å; R105-F109 WeakPolarHBondContact O-CB 3.49Å; R105-F109 PolarHBondContact O-N 3.27Å |
| 106 | C | 92.3 | Very high | 92.8 | Very high | 44 Ų | 44 | 112 Ų | 112 | 30% | 0.297 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 174.5 | -74 | 0 | 0 | 0 | 0 | 112 | F102 G103 E104 F109 M110 | F102-C106 WeakPolarHBondContact CZ-SG 3.3Å; F102-C106 WeakPolarHBondContact O-CB 3.47Å; F102-C106 PolarHBondContact O-N 3.25Å; F102-C106 PolarHBondContact O-SG 3.37Å; G103-C106 PolarHBondContact O-N 3.45Å; E104-C106 VanDerWaalsContact C-N 3.28Å; E104-C106 PolarHBondContact O-N 3.24Å; C106-F109 PolarHBondContact O-N 3.36Å; C106-M110 WeakPolarHBondContact O-CB 3.43Å; C106-M110 WeakPolarHBondContact O-CG 3.43Å; C106-M110 PolarHBondContact O-N 2.88Å |
| 107 | R | 92.8 | Very high | 92.9 | Very high | 177 Ų | 177 | 109 Ų | 109 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.3 | -43.8 | 175.6 | -68.6 | 179.2 | -158.1 | 140.2 | 2.1 | 111.9 | G103 E104 M110 T111 | G103-R107 WeakPolarHBondContact O-CG 3.3Å; G103-R107 PolarHBondContact O-N 3.36Å; G103-R107 VanDerWaalsContact O-N 3.08Å; E104-R107 WeakPolarHBondContact O-CB 3.44Å; E104-R107 PolarHBondContact O-N 2.94Å; R107-M110 PolarHBondContact O-N 3.4Å; R107-T111 PolarHBondContact O-N 2.85Å; R107-T111 PolarHBondContact O-OG1 3.03Å |
| 108 | T | 93.4 | Very high | 93.1 | Very high | 68 Ų | 68 | 107.9 Ų | 107.9 | 42% | 0.417 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 174.9 | -51.7 | 0 | 0 | 0 | 0 | 110.6 | E104 R105 M110 T111 E112 | E104-T108 PolarHBondContact O-N 3.44Å; E104-T108 PolarHBondContact O-OG1 3.19Å; R105-T108 PolarHBondContact O-N 3.3Å; T108-M110 VanDerWaalsContact C-N 3.33Å; T108-M110 PolarHBondContact O-N 3.27Å; T108-T111 PolarHBondContact O-N 3.28Å; T108-T111 VanDerWaalsContact O-N 3.12Å; T108-E112 HydrophobicContact CG2-CG 4.44Å; T108-E112 WeakPolarHBondContact CG2-OE1 3.41Å; T108-E112 WeakPolarHBondContact O-CG 3.4Å; T108-E112 PolarHBondContact O-N 3.31Å |
| 109 | F | 95 | Very high | 93.2 | Very high | 141 Ų | 141 | 103.9 Ų | 103.9 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.2 | -42.7 | 176.2 | 174.2 | -98 | 0 | 0 | 0 | 112.4 | R105 C106 T111 A113 | R105-F109 VanDerWaalsContact O-CB 3.28Å; R105-F109 WeakPolarHBondContact O-CB 3.49Å; R105-F109 PolarHBondContact O-N 3.27Å; C106-F109 PolarHBondContact O-N 3.36Å; F109-T111 VanDerWaalsContact C-N 3.34Å; F109-T111 PolarHBondContact O-N 3.25Å; F109-A113 HydrophobicContact CE1-CB 4.4Å; F109-A113 HydrophobicContact CZ-CB 4.43Å; F109-A113 WeakPolarHBondContact O-CB 3.39Å; F109-A113 PolarHBondContact O-N 3.22Å |
| 110 | M | 94.4 | Very high | 93.3 | Very high | 111 Ų | 111 | 107.7 Ų | 107.7 | 55% | 0.547 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 175.7 | -80.2 | 178.6 | 45.5 | 0 | 0 | 111.9 | C106 R107 T108 A113 E114 | C106-M110 WeakPolarHBondContact O-CB 3.43Å; C106-M110 WeakPolarHBondContact O-CG 3.43Å; C106-M110 PolarHBondContact O-N 2.88Å; R107-M110 PolarHBondContact O-N 3.4Å; T108-M110 VanDerWaalsContact C-N 3.33Å; T108-M110 PolarHBondContact O-N 3.27Å; M110-A113 PolarHBondContact O-N 3.49Å; M110-E114 WeakPolarHBondContact O-CB 3.17Å; M110-E114 WeakPolarHBondContact O-CG 3.26Å; M110-E114 PolarHBondContact O-N 2.99Å |
| 111 | T | 93.8 | Very high | 93.3 | Very high | 76 Ų | 76 | 113 Ų | 113 | 47% | 0.466 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.8 | -49 | 179.6 | -48.6 | 0 | 0 | 0 | 0 | 110.6 | R107 T108 F109 A113 E114 E115 | R107-T111 PolarHBondContact O-N 2.85Å; R107-T111 PolarHBondContact O-OG1 3.03Å; T108-T111 PolarHBondContact O-N 3.28Å; T108-T111 VanDerWaalsContact O-N 3.12Å; F109-T111 VanDerWaalsContact C-N 3.34Å; F109-T111 PolarHBondContact O-N 3.25Å; T111-A113 PolarHBondContact O-N 2.95Å; T111-E114 PolarHBondContact O-N 3.4Å; T111-E115 WeakPolarHBondContact O-CG 3.38Å; T111-E115 PolarHBondContact O-N 2.97Å |
| 112 | E | 94.6 | Very high | 93.4 | Very high | 104 Ų | 104 | 110.1 Ų | 110.1 | 49% | 0.486 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 176.7 | -69.7 | 175.2 | -177 | 0 | 0 | 111.9 | T108 E114 E115 I116 | T108-E112 HydrophobicContact CG2-CG 4.44Å; T108-E112 WeakPolarHBondContact CG2-OE1 3.41Å; T108-E112 WeakPolarHBondContact O-CG 3.4Å; T108-E112 PolarHBondContact O-N 3.31Å; E112-E114 VanDerWaalsContact C-N 3.34Å; E112-E114 PolarHBondContact O-N 3.45Å; E112-E115 PolarHBondContact O-N 3.41Å; E112-I116 WeakPolarHBondContact O-CB 3.13Å; E112-I116 WeakPolarHBondContact O-CD1 3.48Å; E112-I116 WeakPolarHBondContact O-CG1 3.44Å; E112-I116 PolarHBondContact O-N 3.16Å |
| 113 | A | 94.5 | Very high | 93.4 | Very high | 38 Ų | 38 | 108.4 Ų | 108.4 | 31% | 0.314 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | F109 M110 T111 A117 | F109-A113 HydrophobicContact CE1-CB 4.4Å; F109-A113 HydrophobicContact CZ-CB 4.43Å; F109-A113 WeakPolarHBondContact O-CB 3.39Å; F109-A113 PolarHBondContact O-N 3.22Å; M110-A113 PolarHBondContact O-N 3.49Å; T111-A113 PolarHBondContact O-N 2.95Å; A113-A117 WeakPolarHBondContact O-CB 3.47Å; A113-A117 PolarHBondContact O-N 2.77Å |
| 114 | E | 94.1 | Very high | 93.5 | Very high | 124 Ų | 124 | 109.8 Ų | 109.8 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.4 | -45.3 | 173.6 | -78.2 | 176.6 | -170.7 | 0 | 0 | 111.5 | M110 T111 E112 I116 A117 V118 | M110-E114 WeakPolarHBondContact O-CB 3.17Å; M110-E114 WeakPolarHBondContact O-CG 3.26Å; M110-E114 PolarHBondContact O-N 2.99Å; T111-E114 PolarHBondContact O-N 3.4Å; E112-E114 VanDerWaalsContact C-N 3.34Å; E112-E114 PolarHBondContact O-N 3.45Å; E114-I116 PolarHBondContact O-N 2.92Å; E114-A117 PolarHBondContact O-N 3.4Å; E114-V118 WeakPolarHBondContact O-CG2 3.42Å; E114-V118 PolarHBondContact O-N 3.16Å |
| 115 | E | 94.1 | Very high | 93.6 | Very high | 129 Ų | 129 | 109.1 Ų | 109.1 | 60% | 0.603 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.8 | -45.5 | 175 | -72.3 | 178.6 | -178.1 | 0 | 0 | 111.8 | T111 E112 A117 V118 S119 | T111-E115 WeakPolarHBondContact O-CG 3.38Å; T111-E115 PolarHBondContact O-N 2.97Å; E112-E115 PolarHBondContact O-N 3.41Å; E115-A117 VanDerWaalsContact C-N 3.33Å; E115-A117 PolarHBondContact O-N 3.37Å; E115-V118 PolarHBondContact O-N 2.86Å; E115-S119 WeakPolarHBondContact O-CB 3.36Å; E115-S119 PolarHBondContact O-N 3.46Å |
| 116 | I | 93.9 | Very high | 93.5 | Very high | 116 Ų | 116 | 103.6 Ų | 103.6 | 60% | 0.595 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 175.5 | -68.3 | 165.2 | 0 | 0 | 0 | 110.5 | E112 E114 S119 R120 | E112-I116 WeakPolarHBondContact O-CB 3.13Å; E112-I116 WeakPolarHBondContact O-CD1 3.48Å; E112-I116 WeakPolarHBondContact O-CG1 3.44Å; E112-I116 PolarHBondContact O-N 3.16Å; E114-I116 PolarHBondContact O-N 2.92Å; I116-S119 PolarHBondContact O-N 3.28Å; I116-R120 WeakPolarHBondContact O-CB 3.36Å; I116-R120 PolarHBondContact O-N 3.33Å |
| 117 | A | 92.8 | Very high | 93.5 | Very high | 53 Ų | 53 | 107.1 Ų | 107.1 | 44% | 0.438 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A113 E114 E115 R121 | A113-A117 WeakPolarHBondContact O-CB 3.47Å; A113-A117 PolarHBondContact O-N 2.77Å; E114-A117 PolarHBondContact O-N 3.4Å; E115-A117 VanDerWaalsContact C-N 3.33Å; E115-A117 PolarHBondContact O-N 3.37Å; A117-R121 VanDerWaalsContact O-CB 3.27Å; A117-R121 WeakPolarHBondContact O-CB 3.34Å; A117-R121 PolarHBondContact O-N 3.44Å |
| 118 | V | 94.5 | Very high | 93.5 | Very high | 86 Ų | 86 | 104.3 Ų | 104.3 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -49.1 | 174.6 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | E114 E115 R120 R121 M122 | E114-V118 WeakPolarHBondContact O-CG2 3.42Å; E114-V118 PolarHBondContact O-N 3.16Å; E115-V118 PolarHBondContact O-N 2.86Å; V118-R120 PolarHBondContact O-N 2.95Å; V118-R121 WeakPolarHBondContact O-CB 3.35Å; V118-R121 PolarHBondContact O-N 3.44Å; V118-R121 VanDerWaalsContact O-N 3.17Å; V118-M122 WeakPolarHBondContact O-CG 3.47Å; V118-M122 PolarHBondContact O-N 3Å |
| 119 | S | 93.5 | Very high | 93.5 | Very high | 60 Ų | 60 | 107.3 Ų | 107.3 | 42% | 0.42 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 177.3 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | E115 I116 R121 M122 N123 | E115-S119 WeakPolarHBondContact O-CB 3.36Å; E115-S119 PolarHBondContact O-N 3.46Å; I116-S119 PolarHBondContact O-N 3.28Å; S119-R121 VanDerWaalsContact C-N 3.34Å; S119-R121 PolarHBondContact O-N 2.94Å; S119-M122 PolarHBondContact O-N 3.32Å; S119-N123 WeakPolarHBondContact O-CB 3.43Å; S119-N123 VanDerWaalsContact O-CG 3.28Å; S119-N123 PolarHBondContact O-N 3.5Å |
| 120 | R | 94.3 | Very high | 93.4 | Very high | 183 Ų | 183 | 105.3 Ų | 105.3 | 69% | 0.691 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.3 | -42.5 | 176 | -174.6 | 178.6 | 179.9 | -166 | 0.7 | 111.4 | I116 V118 N123 S124 | I116-R120 WeakPolarHBondContact O-CB 3.36Å; I116-R120 PolarHBondContact O-N 3.33Å; V118-R120 PolarHBondContact O-N 2.95Å; R120-N123 PolarHBondContact O-N 3.27Å; R120-S124 WeakPolarHBondContact O-CB 3.3Å; R120-S124 PolarHBondContact O-N 3.32Å; R120-S124 PolarHBondContact O-OG 2.99Å; R120-S124 VanDerWaalsContact O-OG 3.08Å |
| 121 | R | 93.2 | Very high | 93.3 | Very high | 197 Ų | 197 | 103.3 Ų | 103.3 | 74% | 0.743 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.5 | -45.2 | 176.6 | -173.5 | -174 | -64.6 | -171.5 | 0.4 | 111.2 | A117 V118 S119 S124 L125 | A117-R121 VanDerWaalsContact O-CB 3.27Å; A117-R121 WeakPolarHBondContact O-CB 3.34Å; A117-R121 PolarHBondContact O-N 3.44Å; V118-R121 WeakPolarHBondContact O-CB 3.35Å; V118-R121 PolarHBondContact O-N 3.44Å; V118-R121 VanDerWaalsContact O-N 3.17Å; S119-R121 VanDerWaalsContact C-N 3.34Å; S119-R121 PolarHBondContact O-N 2.94Å; R121-S124 PolarHBondContact O-N 3.28Å; R121-L125 WeakPolarHBondContact O-CB 3.36Å; R121-L125 PolarHBondContact O-N 3.24Å |
| 122 | M | 91.9 | Very high | 93.2 | Very high | 123 Ų | 123 | 103.9 Ų | 103.9 | 61% | 0.606 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.5 | -48.8 | 175.7 | -69.9 | -170.7 | 93.5 | 0 | 0 | 111.1 | V118 S119 S124 L125 T126 | V118-M122 WeakPolarHBondContact O-CG 3.47Å; V118-M122 PolarHBondContact O-N 3Å; S119-M122 PolarHBondContact O-N 3.32Å; M122-S124 PolarHBondContact O-N 2.96Å; M122-L125 PolarHBondContact O-N 3.05Å; M122-L125 VanDerWaalsContact O-N 3.12Å; M122-T126 PolarHBondContact O-N 2.91Å; M122-T126 PolarHBondContact O-OG1 3.46Å |
| 123 | N | 92 | Very high | 93 | Very high | 103 Ų | 103 | 102.4 Ų | 102.4 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.9 | -42.1 | 179 | -70.4 | -13.4 | 0 | 0 | 0 | 112.4 | S119 R120 T126 L127 | S119-N123 WeakPolarHBondContact O-CB 3.43Å; S119-N123 VanDerWaalsContact O-CG 3.28Å; S119-N123 PolarHBondContact O-N 3.5Å; R120-N123 PolarHBondContact O-N 3.27Å; N123-T126 PolarHBondContact O-N 2.87Å; N123-L127 VanDerWaalsContact O-CB 3.31Å; N123-L127 WeakPolarHBondContact O-CB 3.46Å; N123-L127 PolarHBondContact O-N 3.4Å |
| 124 | S | 93 | Very high | 93 | Very high | 54 Ų | 54 | 104.6 Ų | 104.6 | 38% | 0.378 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 175.2 | -65.9 | 0 | 0 | 0 | 0 | 112.1 | R120 R121 M122 L127 N128 | R120-S124 WeakPolarHBondContact O-CB 3.3Å; R120-S124 PolarHBondContact O-N 3.32Å; R120-S124 PolarHBondContact O-OG 2.99Å; R120-S124 VanDerWaalsContact O-OG 3.08Å; R121-S124 PolarHBondContact O-N 3.28Å; M122-S124 PolarHBondContact O-N 2.96Å; S124-L127 PolarHBondContact O-N 3.41Å; S124-N128 WeakPolarHBondContact O-CB 3.35Å; S124-N128 PolarHBondContact O-N 2.91Å; S124-N128 PolarHBondContact O-ND2 2.93Å |
| 125 | L | 93.9 | Very high | 92.9 | Very high | 110 Ų | 110 | 104.7 Ų | 104.7 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.7 | -45.8 | 176 | -176.5 | 64 | 0 | 0 | 0 | 111.5 | R121 M122 L127 N128 R129 | R121-L125 WeakPolarHBondContact O-CB 3.36Å; R121-L125 PolarHBondContact O-N 3.24Å; M122-L125 PolarHBondContact O-N 3.05Å; M122-L125 VanDerWaalsContact O-N 3.12Å; L125-L127 VanDerWaalsContact C-N 3.35Å; L125-L127 PolarHBondContact O-N 3.23Å; L125-N128 PolarHBondContact O-N 3.06Å; L125-R129 PolarHBondContact O-N 3.42Å |
| 126 | T | 91.2 | Very high | 92.8 | Very high | 79 Ų | 79 | 100.9 Ų | 100.9 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 175.5 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | M122 N123 N128 R129 H130 I133 | M122-T126 PolarHBondContact O-N 2.91Å; M122-T126 PolarHBondContact O-OG1 3.46Å; N123-T126 PolarHBondContact O-N 2.87Å; T126-N128 VanDerWaalsContact C-N 3.33Å; T126-N128 PolarHBondContact O-N 3.09Å; T126-R129 CarbonylContact O-C 3.45Å; T126-R129 PolarHBondContact O-N 3.3Å; T126-H130 WeakPolarHBondContact O-CA 3.33Å; T126-H130 WeakPolarHBondContact O-CB 3.3Å; T126-H130 PolarHBondContact O-N 3.34Å; T126-I133 HydrophobicContact CG2-CD1 4.2Å |
| 127 | L | 92.8 | Very high | 92.8 | Very high | 118 Ų | 118 | 99.9 Ų | 99.9 | 62% | 0.618 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.1 | -39.1 | 176.4 | -173.8 | 67.4 | 0 | 0 | 0 | 111.8 | N123 S124 L125 R129 H130 | N123-L127 VanDerWaalsContact O-CB 3.31Å; N123-L127 WeakPolarHBondContact O-CB 3.46Å; N123-L127 PolarHBondContact O-N 3.4Å; S124-L127 PolarHBondContact O-N 3.41Å; L125-L127 VanDerWaalsContact C-N 3.35Å; L125-L127 PolarHBondContact O-N 3.23Å; L127-R129 VanDerWaalsContact C-N 3.29Å; L127-R129 PolarHBondContact O-N 3.45Å; L127-H130 PolarHBondContact O-ND1 3.19Å |
| 128 | N | 93.3 | Very high | 92.9 | Very high | 118 Ų | 118 | 101.9 Ų | 101.9 | 63% | 0.631 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.8 | -28.3 | 178.4 | -71.3 | -18.9 | 0 | 0 | 0 | 112.9 | S124 L125 T126 | S124-N128 WeakPolarHBondContact O-CB 3.35Å; S124-N128 PolarHBondContact O-N 2.91Å; S124-N128 PolarHBondContact O-ND2 2.93Å; L125-N128 PolarHBondContact O-N 3.06Å; T126-N128 VanDerWaalsContact C-N 3.33Å; T126-N128 PolarHBondContact O-N 3.09Å |
| 129 | R | 93.4 | Very high | 93 | Very high | 130 Ų | 130 | 98.3 Ų | 98.3 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 13 | -178.7 | -61.4 | -65 | -179.1 | -175.3 | -1.7 | 113.5 | L125 T126 L127 T131 E132 I133 | L125-R129 PolarHBondContact O-N 3.42Å; T126-R129 CarbonylContact O-C 3.45Å; T126-R129 PolarHBondContact O-N 3.3Å; L127-R129 VanDerWaalsContact C-N 3.29Å; L127-R129 PolarHBondContact O-N 3.45Å; R129-T131 VanDerWaalsContact C-N 3.26Å; R129-T131 PolarHBondContact O-N 2.88Å; R129-E132 WeakPolarHBondContact CD-OE1 3.4Å; R129-E132 WeakPolarHBondContact CD-OE2 3.45Å; R129-E132 IonicContact CZ-OE1 3.63Å; R129-E132 IonicContact NE-OE1 2.89Å; R129-E132 IonicContact NH1-OE1 3.5Å; R129-E132 PolarHBondContact NH1-OE1 3.36Å; R129-E132 IonicContact NH1-OE2 3.88Å; R129-E132 PolarHBondContact O-N 3.34Å; R129-I133 WeakPolarHBondContact O-CG1 3.39Å; R129-I133 PolarHBondContact O-N 3.06Å; R129-I133 VanDerWaalsContact O-N 3.09Å |
| 130 | H | 92.8 | Very high | 93.1 | Very high | 100 Ų | 100 | 96.6 Ų | 96.6 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.9 | -34.3 | -171.6 | 75.8 | -80.9 | 0 | 0 | 0 | 112.7 | T126 L127 I133 L134 | T126-H130 WeakPolarHBondContact O-CA 3.33Å; T126-H130 WeakPolarHBondContact O-CB 3.3Å; T126-H130 PolarHBondContact O-N 3.34Å; L127-H130 PolarHBondContact O-ND1 3.19Å; H130-I133 PolarHBondContact O-N 3Å; H130-L134 VanDerWaalsContact O-CB 3.26Å; H130-L134 WeakPolarHBondContact O-CB 3.36Å; H130-L134 PolarHBondContact O-N 3.37Å |
| 131 | T | 92.8 | Very high | 93.2 | Very high | 68 Ų | 68 | 94.6 Ų | 94.6 | 42% | 0.417 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 177.8 | 52.5 | 0 | 0 | 0 | 0 | 111.5 | R129 I133 L134 E135 | R129-T131 VanDerWaalsContact C-N 3.26Å; R129-T131 PolarHBondContact O-N 2.88Å; T131-I133 VanDerWaalsContact C-N 3.3Å; T131-I133 PolarHBondContact O-N 3.31Å; T131-L134 PolarHBondContact O-N 3.41Å; T131-E135 WeakPolarHBondContact O-CG 3.35Å; T131-E135 PolarHBondContact O-N 3.11Å |
| 132 | E | 91.1 | Very high | 93.3 | Very high | 88 Ų | 88 | 89.5 Ų | 89.5 | 41% | 0.411 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 178 | -63.9 | 170.4 | -151.7 | 0 | 0 | 111.5 | R129 I136 | R129-E132 WeakPolarHBondContact CD-OE1 3.4Å; R129-E132 WeakPolarHBondContact CD-OE2 3.45Å; R129-E132 IonicContact CZ-OE1 3.63Å; R129-E132 IonicContact NE-OE1 2.89Å; R129-E132 IonicContact NH1-OE1 3.5Å; R129-E132 PolarHBondContact NH1-OE1 3.36Å; R129-E132 IonicContact NH1-OE2 3.88Å; R129-E132 PolarHBondContact O-N 3.34Å; E132-I136 WeakPolarHBondContact O-CG1 3.49Å; E132-I136 PolarHBondContact O-N 3.02Å |
| 133 | I | 90.9 | Very high | 93.6 | Very high | 74 Ų | 74 | 83.6 Ų | 83.6 | 38% | 0.379 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.9 | -43.4 | 175.2 | -65.6 | 167.5 | 0 | 0 | 0 | 110.2 | T126 R129 H130 T131 I136 L137 | T126-I133 HydrophobicContact CG2-CD1 4.2Å; R129-I133 WeakPolarHBondContact O-CG1 3.39Å; R129-I133 PolarHBondContact O-N 3.06Å; R129-I133 VanDerWaalsContact O-N 3.09Å; H130-I133 PolarHBondContact O-N 3Å; T131-I133 VanDerWaalsContact C-N 3.3Å; T131-I133 PolarHBondContact O-N 3.31Å; I133-I136 PolarHBondContact O-N 3.07Å; I133-L137 HydrophobicContact CG2-CD1 3.97Å; I133-L137 HydrophobicContact CG2-CG 4.41Å; I133-L137 WeakPolarHBondContact O-CG 3.33Å; I133-L137 PolarHBondContact O-N 3.46Å |
| 134 | L | 93.1 | Very high | 93.7 | Very high | 84 Ų | 84 | 81.3 Ų | 81.3 | 44% | 0.44 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 179.5 | -178.6 | 134.7 | 0 | 0 | 0 | 111.4 | H130 T131 I136 L137 E138 | H130-L134 VanDerWaalsContact O-CB 3.26Å; H130-L134 WeakPolarHBondContact O-CB 3.36Å; H130-L134 PolarHBondContact O-N 3.37Å; T131-L134 PolarHBondContact O-N 3.41Å; L134-I136 PolarHBondContact O-N 3.49Å; L134-L137 CarbonylContact O-C 3.56Å; L134-L137 PolarHBondContact O-N 2.96Å; L134-E138 VanDerWaalsContact CD2-CD 3.44Å; L134-E138 HydrophobicContact CD2-CG 4.24Å; L134-E138 WeakPolarHBondContact CD2-OE1 3.3Å; L134-E138 HydrophobicContact CG-CG 4.37Å; L134-E138 WeakPolarHBondContact O-CG 3.43Å; L134-E138 PolarHBondContact O-N 3.43Å |
| 135 | E | 92.4 | Very high | 93.9 | Very high | 125 Ų | 125 | 81.8 Ų | 81.8 | 58% | 0.584 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -54.5 | -40.4 | 173.6 | -74.2 | 172.6 | -169 | 0 | 0 | 112.2 | T131 E138 I139 | T131-E135 WeakPolarHBondContact O-CG 3.35Å; T131-E135 PolarHBondContact O-N 3.11Å; E135-E138 PolarHBondContact O-N 3.35Å; E135-I139 WeakPolarHBondContact O-CG1 3.49Å |
| 136 | I | 92.7 | Very high | 94 | Very high | 50 Ų | 50 | 77.1 Ų | 77.1 | 26% | 0.256 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 176.9 | -66.6 | 168.9 | 0 | 0 | 0 | 111.4 | E132 I133 L134 E138 I139 L165 I178 | E132-I136 WeakPolarHBondContact O-CG1 3.49Å; E132-I136 PolarHBondContact O-N 3.02Å; I133-I136 PolarHBondContact O-N 3.07Å; L134-I136 PolarHBondContact O-N 3.49Å; I136-E138 VanDerWaalsContact C-N 3.28Å; I136-E138 PolarHBondContact O-N 3.38Å; I136-I139 HydrophobicContact CG2-CD1 4.45Å; I136-I139 WeakPolarHBondContact O-CB 3.25Å; I136-I139 WeakPolarHBondContact O-CG1 3.29Å; I136-I139 PolarHBondContact O-N 2.9Å; I136-L165 HydrophobicContact CG2-CD2 3.98Å; I136-I178 HydrophobicContact CG2-CD1 3.74Å |
| 137 | L | 93.1 | Very high | 94.2 | Very high | 94 Ų | 94 | 73.4 Ų | 73.4 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -70.3 | -24.3 | 178.9 | -67.2 | 174.4 | 0 | 0 | 0 | 112.7 | I133 L134 P140 V174 I178 | I133-L137 HydrophobicContact CG2-CD1 3.97Å; I133-L137 HydrophobicContact CG2-CG 4.41Å; I133-L137 WeakPolarHBondContact O-CG 3.33Å; I133-L137 PolarHBondContact O-N 3.46Å; L134-L137 CarbonylContact O-C 3.56Å; L134-L137 PolarHBondContact O-N 2.96Å; L137-P140 WeakPolarHBondContact O-CD 3.09Å; L137-V174 HydrophobicContact CD2-CG1 3.65Å; L137-I178 HydrophobicContact CD2-CD1 4.37Å |
| 138 | E | 95.3 | Very high | 94.3 | Very high | 95 Ų | 95 | 75.7 Ų | 75.7 | 44% | 0.444 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -82.2 | -13.1 | 177.4 | -73.4 | -178 | 165.7 | 0 | 0 | 113.5 | L134 E135 I136 Q141 L142 | L134-E138 VanDerWaalsContact CD2-CD 3.44Å; L134-E138 HydrophobicContact CD2-CG 4.24Å; L134-E138 WeakPolarHBondContact CD2-OE1 3.3Å; L134-E138 HydrophobicContact CG-CG 4.37Å; L134-E138 WeakPolarHBondContact O-CG 3.43Å; L134-E138 PolarHBondContact O-N 3.43Å; E135-E138 PolarHBondContact O-N 3.35Å; I136-E138 VanDerWaalsContact C-N 3.28Å; I136-E138 PolarHBondContact O-N 3.38Å; E138-Q141 WeakPolarHBondContact O-CB 3.49Å; E138-Q141 PolarHBondContact O-N 2.86Å; E138-L142 PolarHBondContact O-N 3.12Å |
| 139 | I | 95.9 | Very high | 94.3 | Very high | 12 Ų | 12 | 74.8 Ų | 74.8 | 6% | 0.062 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -53 | -45.6 | -178.5 | -64.1 | 171.2 | 0 | 0 | 0 | 113.1 | E135 I136 Q141 L142 M143 Y161 V162 V182 | E135-I139 WeakPolarHBondContact O-CG1 3.49Å; I136-I139 HydrophobicContact CG2-CD1 4.45Å; I136-I139 WeakPolarHBondContact O-CB 3.25Å; I136-I139 WeakPolarHBondContact O-CG1 3.29Å; I136-I139 PolarHBondContact O-N 2.9Å; I139-Q141 VanDerWaalsContact C-N 3.31Å; I139-Q141 PolarHBondContact O-N 3.22Å; I139-L142 PolarHBondContact O-N 3.2Å; I139-M143 VanDerWaalsContact O-CB 3.29Å; I139-M143 WeakPolarHBondContact O-CB 3.32Å; I139-M143 PolarHBondContact O-N 3.22Å; I139-Y161 HydrophobicContact CD1-CD1 3.79Å; I139-Y161 HydrophobicContact CD1-CE1 3.54Å; I139-V162 HydrophobicContact CD1-CG2 4.49Å; I139-V162 HydrophobicContact CG2-CG2 3.57Å; I139-V182 HydrophobicContact CG2-CG2 4.16Å |
| 140 | P | 96.2 | Very high | 94.3 | Very high | 24 Ų | 24 | 70.1 Ų | 70.1 | 16% | 0.156 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 177.2 | -25.4 | 36.2 | 0 | 0 | 0 | 113.2 | L137 M143 D144 I178 D181 | L137-P140 WeakPolarHBondContact O-CD 3.09Å; P140-M143 PolarHBondContact O-N 3.17Å; P140-D144 PolarHBondContact O-N 3.43Å; P140-I178 HydrophobicContact CG-CB 4.32Å; P140-I178 HydrophobicContact CG-CG1 4.15Å; P140-I178 HydrophobicContact CG-CG2 4.03Å; P140-D181 HydrophobicContact CB-CB 3.96Å; P140-D181 HydrophobicContact CG-CB 4.34Å |
| 141 | Q | 95.7 | Very high | 94.4 | Very high | 140 Ų | 140 | 71.7 Ų | 71.7 | 65% | 0.654 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.9 | -41 | 178.5 | -176.5 | 177.4 | -6.2 | 0 | 0 | 111.4 | E138 I139 D144 T145 | E138-Q141 WeakPolarHBondContact O-CB 3.49Å; E138-Q141 PolarHBondContact O-N 2.86Å; I139-Q141 VanDerWaalsContact C-N 3.31Å; I139-Q141 PolarHBondContact O-N 3.22Å; Q141-D144 PolarHBondContact O-N 2.67Å; Q141-T145 WeakPolarHBondContact O-CB 3.44Å; Q141-T145 PolarHBondContact O-N 2.62Å; Q141-T145 PolarHBondContact O-OG1 3.46Å |
| 142 | L | 96.3 | Very high | 94.5 | Very high | 90 Ų | 90 | 69.3 Ų | 69.3 | 47% | 0.471 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 174.1 | -172.5 | 71.8 | 0 | 0 | 0 | 110.9 | E138 I139 T145 C146 L158 | E138-L142 PolarHBondContact O-N 3.12Å; I139-L142 PolarHBondContact O-N 3.2Å; L142-T145 WeakPolarHBondContact O-CB 3.41Å; L142-T145 PolarHBondContact O-N 2.87Å; L142-C146 PolarHBondContact O-N 2.94Å; L142-C146 PolarHBondContact O-SG 3.45Å; L142-C146 VanDerWaalsContact O-SG 3.33Å; L142-L158 HydrophobicContact CB-CD1 4.3Å; L142-L158 HydrophobicContact CD2-CD1 3.7Å; L142-L158 HydrophobicContact CD2-CD2 3.75Å; L142-L158 HydrophobicContact CD2-CG 4.35Å; L142-L158 HydrophobicContact CG-CD1 3.8Å |
| 143 | M | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 176.6 | -177.3 | 71.2 | 179.8 | 0 | 0 | 111.8 | I139 P140 T145 C146 V147 A155 L158 A159 V182 A185 A186 | I139-M143 VanDerWaalsContact O-CB 3.29Å; I139-M143 WeakPolarHBondContact O-CB 3.32Å; I139-M143 PolarHBondContact O-N 3.22Å; P140-M143 PolarHBondContact O-N 3.17Å; M143-T145 VanDerWaalsContact C-N 3.29Å; M143-T145 PolarHBondContact O-N 3.35Å; M143-C146 PolarHBondContact O-N 3.03Å; M143-V147 HydrophobicContact CE-CG2 4.04Å; M143-V147 WeakPolarHBondContact O-CG2 3.22Å; M143-V147 PolarHBondContact O-N 3.2Å; M143-A155 HydrophobicContact CE-CB 4.04Å; M143-A155 HydrophobicContact SD-CB 3.89Å; M143-A155 VanDerWaalsContact SD-O 3.36Å; M143-L158 HydrophobicContact CB-CD1 4.43Å; M143-L158 HydrophobicContact SD-CB 4.06Å; M143-L158 HydrophobicContact SD-CD1 4.46Å; M143-A159 HydrophobicContact CE-CB 4.33Å; M143-V182 HydrophobicContact CB-CG2 4.37Å; M143-V182 HydrophobicContact CE-CG1 4.27Å; M143-V182 HydrophobicContact CG-CG1 4.16Å; M143-V182 HydrophobicContact CG-CG2 4.41Å; M143-V182 HydrophobicContact SD-CG1 4.3Å; M143-A185 HydrophobicContact CG-CB 3.64Å; M143-A186 HydrophobicContact CE-CB 4.08Å |
| 144 | D | 95.8 | Very high | 94.8 | Very high | 54 Ų | 54 | 70.3 Ų | 70.3 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 177.1 | -171.6 | 52.7 | 0 | 0 | 0 | 111.3 | P140 Q141 V147 R148 | P140-D144 PolarHBondContact O-N 3.43Å; Q141-D144 PolarHBondContact O-N 2.67Å; D144-V147 PolarHBondContact O-N 2.93Å; D144-R148 WeakPolarHBondContact O-CB 3.49Å; D144-R148 VanDerWaalsContact O-CG 3.23Å; D144-R148 WeakPolarHBondContact O-CG 3.3Å; D144-R148 PolarHBondContact O-N 3.42Å; D144-R148 IonicContact OD1-CZ 2.94Å; D144-R148 IonicContact OD1-NE 3.02Å; D144-R148 PolarHBondContact OD1-NE 3.15Å; D144-R148 IonicContact OD1-NH2 3.79Å; D144-R148 IonicContact OD2-CZ 3.84Å; D144-R148 IonicContact OD2-NE 2.65Å; D144-R148 PolarHBondContact OD2-NE 2.9Å; D144-R148 IonicContact OD2-NH2 2.68Å; D144-R148 PolarHBondContact OD2-NH2 2.89Å |
| 145 | T | 95.6 | Very high | 95 | Very high | 64 Ų | 64 | 66.3 Ų | 66.3 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 176.3 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | Q141 L142 M143 N149 | Q141-T145 WeakPolarHBondContact O-CB 3.44Å; Q141-T145 PolarHBondContact O-N 2.62Å; Q141-T145 PolarHBondContact O-OG1 3.46Å; L142-T145 WeakPolarHBondContact O-CB 3.41Å; L142-T145 PolarHBondContact O-N 2.87Å; M143-T145 VanDerWaalsContact C-N 3.29Å; M143-T145 PolarHBondContact O-N 3.35Å; T145-N149 WeakPolarHBondContact CG2-ND2 3.32Å; T145-N149 WeakPolarHBondContact O-CB 3.27Å; T145-N149 VanDerWaalsContact O-CG 3.3Å; T145-N149 PolarHBondContact O-N 3.48Å; T145-N149 VanDerWaalsContact O-N 3.1Å; T145-N149 PolarHBondContact O-ND2 2.95Å; T145-N149 VanDerWaalsContact O-ND2 3.17Å |
| 146 | C | 96.1 | Very high | 95.1 | Very high | 13 Ų | 13 | 60.9 Ų | 60.9 | 9% | 0.088 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 177.4 | -72.4 | 0 | 0 | 0 | 0 | 111.5 | L142 M143 N149 G150 Y151 A155 | L142-C146 PolarHBondContact O-N 2.94Å; L142-C146 PolarHBondContact O-SG 3.45Å; L142-C146 VanDerWaalsContact O-SG 3.33Å; M143-C146 PolarHBondContact O-N 3.03Å; C146-N149 PolarHBondContact O-N 3.41Å; C146-G150 PolarHBondContact O-N 3.48Å; C146-G150 VanDerWaalsContact O-N 3.12Å; C146-Y151 PolarHBondContact O-N 2.98Å; C146-A155 HydrophobicContact CB-CB 3.99Å |
| 147 | V | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -46.1 | -179.6 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | M143 D144 N149 G150 A155 L188 M189 Q192 | M143-V147 HydrophobicContact CE-CG2 4.04Å; M143-V147 WeakPolarHBondContact O-CG2 3.22Å; M143-V147 PolarHBondContact O-N 3.2Å; D144-V147 PolarHBondContact O-N 2.93Å; V147-N149 VanDerWaalsContact C-N 3.28Å; V147-N149 PolarHBondContact O-N 3.49Å; V147-G150 PolarHBondContact O-N 2.95Å; V147-A155 HydrophobicContact CG2-CB 3.97Å; V147-L188 HydrophobicContact CG1-CB 4.24Å; V147-L188 HydrophobicContact CG1-CD2 3.83Å; V147-L188 HydrophobicContact CG1-CG 4.22Å; V147-M189 HydrophobicContact CB-CB 4.5Å; V147-M189 HydrophobicContact CG1-CB 3.71Å; V147-M189 HydrophobicContact CG1-CG 4.46Å; V147-M189 HydrophobicContact CG2-CB 3.94Å; V147-M189 HydrophobicContact CG2-CG 4.45Å; V147-M189 HydrophobicContact CG2-SD 4.3Å; V147-Q192 PolarHBondContact O-OE1 3.27Å |
| 148 | R | 94.4 | Very high | 95.3 | Very high | 167 Ų | 167 | 61.3 Ų | 61.3 | 63% | 0.63 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.5 | -34.5 | -180 | -73.9 | 174.6 | -175.8 | -99.6 | 0.6 | 113.3 | D144 | D144-R148 WeakPolarHBondContact O-CB 3.49Å; D144-R148 VanDerWaalsContact O-CG 3.23Å; D144-R148 WeakPolarHBondContact O-CG 3.3Å; D144-R148 PolarHBondContact O-N 3.42Å; D144-R148 IonicContact OD1-CZ 2.94Å; D144-R148 IonicContact OD1-NE 3.02Å; D144-R148 PolarHBondContact OD1-NE 3.15Å; D144-R148 IonicContact OD1-NH2 3.79Å; D144-R148 IonicContact OD2-CZ 3.84Å; D144-R148 IonicContact OD2-NE 2.65Å; D144-R148 PolarHBondContact OD2-NE 2.9Å; D144-R148 IonicContact OD2-NH2 2.68Å; D144-R148 PolarHBondContact OD2-NH2 2.89Å |
| 149 | N | 94.3 | Very high | 95.2 | Very high | 98 Ų | 98 | 57.2 Ų | 57.2 | 52% | 0.524 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -87.8 | -4 | -179.9 | -65.9 | -26.6 | 0 | 0 | 0 | 113.5 | T145 C146 V147 Y151 | T145-N149 WeakPolarHBondContact CG2-ND2 3.32Å; T145-N149 WeakPolarHBondContact O-CB 3.27Å; T145-N149 VanDerWaalsContact O-CG 3.3Å; T145-N149 PolarHBondContact O-N 3.48Å; T145-N149 VanDerWaalsContact O-N 3.1Å; T145-N149 PolarHBondContact O-ND2 2.95Å; T145-N149 VanDerWaalsContact O-ND2 3.17Å; C146-N149 PolarHBondContact O-N 3.41Å; V147-N149 VanDerWaalsContact C-N 3.28Å; V147-N149 PolarHBondContact O-N 3.49Å; N149-Y151 HydrophobicContact CB-CD2 3.49Å; N149-Y151 VanDerWaalsContact CB-CD2 3.49Å; N149-Y151 HydrophobicContact CB-CE2 3.42Å; N149-Y151 VanDerWaalsContact CB-CE2 3.42Å; N149-Y151 HydrophobicContact CB-CG 4.36Å |
| 150 | G | 92.6 | Very high | 95.2 | Very high | 33 Ų | 33 | 58.6 Ų | 58.6 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 14.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | C146 V147 Y152 | C146-G150 PolarHBondContact O-N 3.48Å; C146-G150 VanDerWaalsContact O-N 3.12Å; V147-G150 PolarHBondContact O-N 2.95Å; G150-Y152 PolarHBondContact O-N 2.99Å |
| 151 | Y | 95.3 | Very high | 95.1 | Very high | 132 Ų | 132 | 62.1 Ų | 62.1 | 52% | 0.518 | 31% | 0.306 | S | S | . | . | trans | -78.5 | 67.8 | 173.1 | -59.6 | -50.4 | 0 | 0 | 0 | 110.1 | C146 N149 E154 A155 | C146-Y151 PolarHBondContact O-N 2.98Å; N149-Y151 HydrophobicContact CB-CD2 3.49Å; N149-Y151 VanDerWaalsContact CB-CD2 3.49Å; N149-Y151 HydrophobicContact CB-CE2 3.42Å; N149-Y151 VanDerWaalsContact CB-CE2 3.42Å; N149-Y151 HydrophobicContact CB-CG 4.36Å; Y151-E154 VanDerWaalsContact C-OE2 3.29Å; Y151-E154 WeakPolarHBondContact CA-OE2 3.46Å; Y151-E154 WeakPolarHBondContact CB-OE2 3.42Å; Y151-A155 WeakPolarHBondContact O-CB 3.47Å; Y151-A155 PolarHBondContact O-N 3.25Å; Y151-A155 VanDerWaalsContact O-N 3.11Å | ||
| 152 | Y | 95 | Very high | 95.1 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 7% | 0.071 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -74.1 | -25.8 | -171.2 | -58.7 | -44.9 | 0 | 0 | 0 | 113.7 | G150 L156 M189 Q192 L193 Y212 | G150-Y152 PolarHBondContact O-N 2.99Å; Y152-L156 WeakPolarHBondContact O-CB 3.36Å; Y152-L156 WeakPolarHBondContact O-CD1 3.46Å; Y152-L156 WeakPolarHBondContact O-CG 3.35Å; Y152-L156 PolarHBondContact O-N 2.71Å; Y152-M189 HydrophobicContact CD1-CG 3.54Å; Y152-M189 HydrophobicContact CD1-SD 3.72Å; Y152-M189 HydrophobicContact CE1-CG 3.79Å; Y152-M189 HydrophobicContact CG-CG 4.37Å; Y152-M189 HydrophobicContact CG-SD 4.32Å; Y152-Q192 WeakPolarHBondContact OH-CB 3.5Å; Y152-Q192 PolarHBondContact OH-OE1 3.4Å; Y152-L193 HydrophobicContact CD2-CD2 3.71Å; Y152-L193 HydrophobicContact CE2-CD2 3.6Å; Y152-L193 HydrophobicContact CE2-CG 4.46Å; Y152-L193 HydrophobicContact CG-CD2 4.35Å; Y152-Y212 AromaticContact CD2-CD2 3.96Å; Y152-Y212 HydrophobicContact CD2-CD2 3.96Å; Y152-Y212 AromaticContact CD2-CE2 3.79Å; Y152-Y212 HydrophobicContact CD2-CE2 3.79Å; Y152-Y212 HydrophobicContact CG-CD2 4.36Å; Y152-Y212 HydrophobicContact CG-CE2 4.32Å |
| 153 | E | 93.8 | Very high | 94.9 | Very high | 96 Ų | 96 | 55.8 Ų | 55.8 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.6 | -47.4 | 177.4 | -68 | -166.7 | 159.3 | 0 | 0 | 110.6 | L156 E157 Y212 | E153-L156 WeakPolarHBondContact O-CB 3.46Å; E153-L156 PolarHBondContact O-N 3.18Å; E153-E157 WeakPolarHBondContact O-CG 3.38Å; E153-E157 PolarHBondContact O-N 3.21Å; E153-Y212 HydrophobicContact CG-CE1 3.62Å |
| 154 | E | 94.6 | Very high | 94.8 | Very high | 88 Ų | 88 | 62.2 Ų | 62.2 | 41% | 0.411 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 176.5 | -60.2 | 85.3 | 165 | 0 | 0 | 110.7 | Y151 L156 E157 L158 | Y151-E154 VanDerWaalsContact C-OE2 3.29Å; Y151-E154 WeakPolarHBondContact CA-OE2 3.46Å; Y151-E154 WeakPolarHBondContact CB-OE2 3.42Å; E154-L156 VanDerWaalsContact C-N 3.31Å; E154-L156 PolarHBondContact O-N 3.4Å; E154-E157 PolarHBondContact O-N 2.74Å; E154-E157 VanDerWaalsContact O-N 3.17Å; E154-L158 WeakPolarHBondContact O-CG 3.31Å; E154-L158 PolarHBondContact O-N 3.09Å |
| 155 | A | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M143 C146 V147 Y151 L158 A159 M189 | M143-A155 HydrophobicContact CE-CB 4.04Å; M143-A155 HydrophobicContact SD-CB 3.89Å; M143-A155 VanDerWaalsContact SD-O 3.36Å; C146-A155 HydrophobicContact CB-CB 3.99Å; V147-A155 HydrophobicContact CG2-CB 3.97Å; Y151-A155 WeakPolarHBondContact O-CB 3.47Å; Y151-A155 PolarHBondContact O-N 3.25Å; Y151-A155 VanDerWaalsContact O-N 3.11Å; A155-L158 PolarHBondContact O-N 3.5Å; A155-A159 WeakPolarHBondContact O-CB 3.25Å; A155-A159 PolarHBondContact O-N 2.95Å; A155-M189 HydrophobicContact CB-SD 3.88Å |
| 156 | L | 95 | Very high | 94.6 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 176 | -74.6 | 167.5 | 0 | 0 | 0 | 112.2 | Y152 E153 E154 A159 A160 M189 Y212 R215 M216 | Y152-L156 WeakPolarHBondContact O-CB 3.36Å; Y152-L156 WeakPolarHBondContact O-CD1 3.46Å; Y152-L156 WeakPolarHBondContact O-CG 3.35Å; Y152-L156 PolarHBondContact O-N 2.71Å; E153-L156 WeakPolarHBondContact O-CB 3.46Å; E153-L156 PolarHBondContact O-N 3.18Å; E154-L156 VanDerWaalsContact C-N 3.31Å; E154-L156 PolarHBondContact O-N 3.4Å; L156-A159 PolarHBondContact O-N 3.48Å; L156-A160 WeakPolarHBondContact O-CB 3.31Å; L156-A160 PolarHBondContact O-N 3.26Å; L156-M189 HydrophobicContact CD2-CE 3.78Å; L156-M189 HydrophobicContact CG-CE 4.13Å; L156-Y212 HydrophobicContact CD1-CD1 3.79Å; L156-Y212 HydrophobicContact CD1-CG 4.22Å; L156-R215 HydrophobicContact CD1-CB 3.98Å; L156-R215 HydrophobicContact CD2-CB 4.27Å; L156-M216 HydrophobicContact CD2-CB 4.47Å; L156-M216 HydrophobicContact CD2-CG 3.58Å |
| 157 | E | 95 | Very high | 94.5 | Very high | 123 Ų | 123 | 69 Ų | 69 | 58% | 0.575 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.8 | -43.4 | 174.9 | -71.3 | -177.9 | -178 | 0 | 0 | 112.2 | E153 E154 A160 Y161 | E153-E157 WeakPolarHBondContact O-CG 3.38Å; E153-E157 PolarHBondContact O-N 3.21Å; E154-E157 PolarHBondContact O-N 2.74Å; E154-E157 VanDerWaalsContact O-N 3.17Å; E157-A160 PolarHBondContact O-N 2.98Å; E157-Y161 PolarHBondContact O-N 3.45Å |
| 158 | L | 94.8 | Very high | 94.3 | Very high | 29 Ų | 29 | 76.8 Ų | 76.8 | 15% | 0.152 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 173.9 | -68.4 | 174.6 | 0 | 0 | 0 | 111.2 | L142 M143 E154 A155 A160 Y161 V162 | L142-L158 HydrophobicContact CB-CD1 4.3Å; L142-L158 HydrophobicContact CD2-CD1 3.7Å; L142-L158 HydrophobicContact CD2-CD2 3.75Å; L142-L158 HydrophobicContact CD2-CG 4.35Å; L142-L158 HydrophobicContact CG-CD1 3.8Å; M143-L158 HydrophobicContact CB-CD1 4.43Å; M143-L158 HydrophobicContact SD-CB 4.06Å; M143-L158 HydrophobicContact SD-CD1 4.46Å; E154-L158 WeakPolarHBondContact O-CG 3.31Å; E154-L158 PolarHBondContact O-N 3.09Å; A155-L158 PolarHBondContact O-N 3.5Å; L158-A160 VanDerWaalsContact C-N 3.32Å; L158-A160 PolarHBondContact O-N 2.98Å; L158-Y161 WeakPolarHBondContact O-CB 3.4Å; L158-Y161 PolarHBondContact O-N 3.38Å; L158-V162 VanDerWaalsContact O-CG2 3.3Å; L158-V162 WeakPolarHBondContact O-CG2 3.26Å; L158-V162 PolarHBondContact O-N 3Å |
| 159 | A | 94.6 | Very high | 94.2 | Very high | 10 Ų | 10 | 73.1 Ų | 73.1 | 8% | 0.083 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M143 A155 L156 V162 R163 V182 | M143-A159 HydrophobicContact CE-CB 4.33Å; A155-A159 WeakPolarHBondContact O-CB 3.25Å; A155-A159 PolarHBondContact O-N 2.95Å; L156-A159 PolarHBondContact O-N 3.48Å; A159-V162 PolarHBondContact O-N 3.11Å; A159-R163 WeakPolarHBondContact O-CG 3.36Å; A159-R163 PolarHBondContact O-N 2.94Å; A159-V182 HydrophobicContact CB-CG1 4.46Å |
| 160 | A | 94.1 | Very high | 94 | Very high | 41 Ų | 41 | 71 Ų | 71 | 34% | 0.339 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L156 E157 L158 R164 | L156-A160 WeakPolarHBondContact O-CB 3.31Å; L156-A160 PolarHBondContact O-N 3.26Å; E157-A160 PolarHBondContact O-N 2.98Å; L158-A160 VanDerWaalsContact C-N 3.32Å; L158-A160 PolarHBondContact O-N 2.98Å; A160-R164 WeakPolarHBondContact O-CG 3.31Å; A160-R164 PolarHBondContact O-N 3.04Å; A160-R164 VanDerWaalsContact O-N 3.15Å |
| 161 | Y | 94.8 | Very high | 94 | Very high | 97 Ų | 97 | 74 Ų | 74 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.9 | -48 | 174.1 | 179.2 | -96.8 | 0 | 0 | 0 | 111.7 | I139 E157 L158 R163 R164 L165 | I139-Y161 HydrophobicContact CD1-CD1 3.79Å; I139-Y161 HydrophobicContact CD1-CE1 3.54Å; E157-Y161 PolarHBondContact O-N 3.45Å; L158-Y161 WeakPolarHBondContact O-CB 3.4Å; L158-Y161 PolarHBondContact O-N 3.38Å; Y161-R163 PolarHBondContact O-N 3.12Å; Y161-R164 WeakPolarHBondContact O-CA 3.45Å; Y161-R164 WeakPolarHBondContact O-CB 3.45Å; Y161-R164 PolarHBondContact O-N 2.91Å; Y161-L165 PolarHBondContact O-N 3.16Å |
| 162 | V | 95.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.024 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.8 | -39 | 179.2 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | I139 L158 A159 R164 L165 E166 I178 V179 V182 | I139-V162 HydrophobicContact CD1-CG2 4.49Å; I139-V162 HydrophobicContact CG2-CG2 3.57Å; L158-V162 VanDerWaalsContact O-CG2 3.3Å; L158-V162 WeakPolarHBondContact O-CG2 3.26Å; L158-V162 PolarHBondContact O-N 3Å; A159-V162 PolarHBondContact O-N 3.11Å; V162-R164 VanDerWaalsContact C-N 3.3Å; V162-R164 PolarHBondContact O-N 3.25Å; V162-L165 WeakPolarHBondContact O-CB 3.49Å; V162-L165 PolarHBondContact O-N 3.14Å; V162-L165 VanDerWaalsContact O-N 3.13Å; V162-E166 PolarHBondContact O-N 3.45Å; V162-I178 HydrophobicContact CG1-CG2 4.29Å; V162-I178 HydrophobicContact CG2-CG2 4.36Å; V162-V179 HydrophobicContact CG1-CB 4.28Å; V162-V179 HydrophobicContact CG1-CG2 3.61Å; V162-V182 HydrophobicContact CB-CG1 4.35Å; V162-V182 HydrophobicContact CG1-CB 4.3Å; V162-V182 HydrophobicContact CG1-CG1 4.34Å; V162-V182 HydrophobicContact CG1-CG2 4.37Å; V162-V182 HydrophobicContact CG2-CG1 4.35Å; V162-V182 HydrophobicContact CG2-CG2 4.02Å |
| 163 | R | 92.9 | Very high | 93.9 | Very high | 94 Ų | 94 | 75.2 Ų | 75.2 | 36% | 0.355 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.8 | -38.3 | 171.7 | -73.2 | 179.3 | -158.3 | -170.7 | 4.7 | 112.2 | A159 Y161 R167 M216 | A159-R163 WeakPolarHBondContact O-CG 3.36Å; A159-R163 PolarHBondContact O-N 2.94Å; Y161-R163 PolarHBondContact O-N 3.12Å; R163-R167 WeakPolarHBondContact O-CG 3.28Å; R163-R167 PolarHBondContact O-N 3.45Å; R163-M216 PolarHBondContact NH2-O 2.92Å |
| 164 | R | 94.2 | Very high | 93.9 | Very high | 135 Ų | 135 | 74.5 Ų | 74.5 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69 | -36.9 | 174.9 | -70 | -177.5 | -65.3 | -131.9 | -0.3 | 111.6 | A160 Y161 V162 R167 K168 | A160-R164 WeakPolarHBondContact O-CG 3.31Å; A160-R164 PolarHBondContact O-N 3.04Å; A160-R164 VanDerWaalsContact O-N 3.15Å; Y161-R164 WeakPolarHBondContact O-CA 3.45Å; Y161-R164 WeakPolarHBondContact O-CB 3.45Å; Y161-R164 PolarHBondContact O-N 2.91Å; V162-R164 VanDerWaalsContact C-N 3.3Å; V162-R164 PolarHBondContact O-N 3.25Å; R164-R167 PolarHBondContact O-N 3.41Å; R164-K168 PolarHBondContact O-N 2.78Å |
| 165 | L | 92.8 | Very high | 93.9 | Very high | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 176.8 | -170.1 | 69.6 | 0 | 0 | 0 | 111.4 | I136 Y161 V162 R167 K168 H169 I175 | I136-L165 HydrophobicContact CG2-CD2 3.98Å; Y161-L165 PolarHBondContact O-N 3.16Å; V162-L165 WeakPolarHBondContact O-CB 3.49Å; V162-L165 PolarHBondContact O-N 3.14Å; V162-L165 VanDerWaalsContact O-N 3.13Å; L165-R167 PolarHBondContact O-N 2.93Å; L165-K168 PolarHBondContact O-N 2.75Å; L165-H169 PolarHBondContact O-N 3.17Å; L165-I175 HydrophobicContact CD1-CD1 4.39Å; L165-I175 HydrophobicContact CD2-CD1 4.4Å; L165-I175 HydrophobicContact CD2-CG1 4.34Å; L165-I175 HydrophobicContact CD2-CG2 4.16Å; L165-I175 HydrophobicContact CG-CD1 4.14Å; L165-I175 HydrophobicContact CG-CG2 4.04Å |
| 166 | E | 94.2 | Very high | 93.8 | Very high | 62 Ų | 62 | 76.5 Ų | 76.5 | 29% | 0.29 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.3 | -48.5 | 175 | -174 | 178.9 | -162.3 | 0 | 0 | 111.4 | V162 K168 H169 A170 V179 R183 | V162-E166 PolarHBondContact O-N 3.45Å; E166-K168 VanDerWaalsContact C-N 3.29Å; E166-K168 PolarHBondContact O-N 2.94Å; E166-H169 PolarHBondContact O-N 3.4Å; E166-A170 WeakPolarHBondContact O-CA 3.46Å; E166-A170 WeakPolarHBondContact O-CB 3.43Å; E166-A170 PolarHBondContact O-N 3.48Å; E166-V179 HydrophobicContact CB-CG2 3.81Å; E166-V179 HydrophobicContact CG-CG2 4.06Å; E166-R183 IonicContact OE1-CZ 2.68Å; E166-R183 IonicContact OE1-NH2 3.62Å; E166-R183 PolarHBondContact OE1-NH2 3.03Å; E166-R183 IonicContact OE2-NH2 3.82Å; E166-R183 PolarHBondContact OE2-NH2 3.42Å |
| 167 | R | 94.3 | Very high | 93.8 | Very high | 196 Ų | 196 | 79.2 Ų | 79.2 | 74% | 0.74 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -61.5 | -34.6 | 179.7 | -69 | 179.3 | -150.6 | 163.7 | 2.8 | 113.4 | R163 R164 L165 | R163-R167 WeakPolarHBondContact O-CG 3.28Å; R163-R167 PolarHBondContact O-N 3.45Å; R164-R167 PolarHBondContact O-N 3.41Å; L165-R167 PolarHBondContact O-N 2.93Å |
| 168 | K | 92.9 | Very high | 93.8 | Very high | 162 Ų | 162 | 73.7 Ų | 73.7 | 70% | 0.704 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -82.2 | -33.5 | -177.5 | -71.3 | -177.6 | 179.2 | -176.1 | 0 | 112.7 | R164 L165 E166 | R164-K168 PolarHBondContact O-N 2.78Å; L165-K168 PolarHBondContact O-N 2.75Å; E166-K168 VanDerWaalsContact C-N 3.29Å; E166-K168 PolarHBondContact O-N 2.94Å |
| 169 | H | 92.4 | Very high | 93.8 | Very high | 90 Ų | 90 | 72.6 Ų | 72.6 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -135.5 | 39.5 | -167 | -58.6 | -66.9 | 0 | 0 | 0 | 113.2 | L165 E166 A171 L172 I175 | L165-H169 PolarHBondContact O-N 3.17Å; E166-H169 PolarHBondContact O-N 3.4Å; H169-A171 PolarHBondContact O-N 3.38Å; H169-L172 HydrophobicContact CB-CD1 4.15Å; H169-L172 PolarHBondContact O-N 3.17Å; H169-L172 VanDerWaalsContact O-N 3.15Å; H169-I175 HydrophobicContact CB-CD1 3.3Å |
| 170 | A | 89.9 | Confident | 93.9 | Very high | 55 Ų | 55 | 78.8 Ų | 78.8 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -23.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E166 L172 Q176 | E166-A170 WeakPolarHBondContact O-CA 3.46Å; E166-A170 WeakPolarHBondContact O-CB 3.43Å; E166-A170 PolarHBondContact O-N 3.48Å; A170-L172 VanDerWaalsContact C-N 3.3Å; A170-L172 PolarHBondContact O-N 2.96Å; A170-Q176 PolarHBondContact O-NE2 3.28Å |
| 171 | A | 92.8 | Very high | 93.9 | Very high | 95 Ų | 95 | 79.5 Ų | 79.5 | 79% | 0.785 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -14.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | H169 P173 | H169-A171 PolarHBondContact O-N 3.38Å; A171-P173 WeakPolarHBondContact O-CD 3.3Å |
| 172 | L | 93.2 | Very high | 94 | Very high | 91 Ų | 91 | 75.2 Ų | 75.2 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | trans | -88.9 | 119.9 | -176.3 | -63.2 | -179.6 | 0 | 0 | 0 | 111 | H169 A170 V174 I175 Q176 | H169-L172 HydrophobicContact CB-CD1 4.15Å; H169-L172 PolarHBondContact O-N 3.17Å; H169-L172 VanDerWaalsContact O-N 3.15Å; A170-L172 VanDerWaalsContact C-N 3.3Å; A170-L172 PolarHBondContact O-N 2.96Å; L172-V174 VanDerWaalsContact C-N 3.32Å; L172-V174 PolarHBondContact O-N 3.09Å; L172-I175 HydrophobicContact CB-CB 4.38Å; L172-I175 HydrophobicContact CB-CD1 4.03Å; L172-I175 HydrophobicContact CB-CG1 4.17Å; L172-I175 HydrophobicContact CD1-CD1 3.77Å; L172-I175 HydrophobicContact CG-CD1 4.42Å; L172-I175 PolarHBondContact O-N 3.36Å; L172-I175 VanDerWaalsContact O-N 3.13Å; L172-Q176 PolarHBondContact O-N 3.27Å | ||
| 173 | P | 94.1 | Very high | 93.9 | Very high | 85 Ų | 85 | 81.4 Ų | 81.4 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -58.3 | -40.4 | -178.2 | -26 | 34.5 | 0 | 0 | 0 | 113.7 | A171 I175 Q176 D177 | A171-P173 WeakPolarHBondContact O-CD 3.3Å; P173-I175 PolarHBondContact O-N 2.7Å; P173-Q176 WeakPolarHBondContact O-CA 3.5Å; P173-Q176 WeakPolarHBondContact O-CB 3.44Å; P173-Q176 PolarHBondContact O-N 3.2Å; P173-D177 PolarHBondContact O-N 2.97Å |
| 174 | V | 93.3 | Very high | 94 | Very high | 80 Ų | 80 | 83 Ų | 83 | 49% | 0.485 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.6 | -36.4 | 179.3 | 178 | 0 | 0 | 0 | 0 | 111.9 | L137 L172 D177 I178 | L137-V174 HydrophobicContact CD2-CG1 3.65Å; L172-V174 VanDerWaalsContact C-N 3.32Å; L172-V174 PolarHBondContact O-N 3.09Å; V174-D177 PolarHBondContact O-N 3.13Å; V174-I178 HydrophobicContact CG1-CD1 4.28Å; V174-I178 WeakPolarHBondContact O-CG1 3.41Å; V174-I178 PolarHBondContact O-N 3.01Å |
| 175 | I | 94.3 | Very high | 94.1 | Very high | 16 Ų | 16 | 77 Ų | 77 | 8% | 0.082 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72.8 | -35.2 | 178.3 | -65.6 | 177.8 | 0 | 0 | 0 | 110.5 | L165 H169 L172 P173 D177 I178 V179 | L165-I175 HydrophobicContact CD1-CD1 4.39Å; L165-I175 HydrophobicContact CD2-CD1 4.4Å; L165-I175 HydrophobicContact CD2-CG1 4.34Å; L165-I175 HydrophobicContact CD2-CG2 4.16Å; L165-I175 HydrophobicContact CG-CD1 4.14Å; L165-I175 HydrophobicContact CG-CG2 4.04Å; H169-I175 HydrophobicContact CB-CD1 3.3Å; L172-I175 HydrophobicContact CB-CB 4.38Å; L172-I175 HydrophobicContact CB-CD1 4.03Å; L172-I175 HydrophobicContact CB-CG1 4.17Å; L172-I175 HydrophobicContact CD1-CD1 3.77Å; L172-I175 HydrophobicContact CG-CD1 4.42Å; L172-I175 PolarHBondContact O-N 3.36Å; L172-I175 VanDerWaalsContact O-N 3.13Å; P173-I175 PolarHBondContact O-N 2.7Å; I175-D177 VanDerWaalsContact C-N 3.32Å; I175-I178 PolarHBondContact O-N 2.65Å; I175-V179 HydrophobicContact CG2-CG2 4.38Å; I175-V179 WeakPolarHBondContact O-CB 3.33Å; I175-V179 WeakPolarHBondContact O-CG2 3.45Å; I175-V179 PolarHBondContact O-N 3.08Å |
| 176 | Q | 94.4 | Very high | 94.1 | Very high | 115 Ų | 115 | 77.2 Ų | 77.2 | 54% | 0.537 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 173.6 | -60.8 | -179.7 | -4.1 | 0 | 0 | 111.6 | A170 L172 P173 V179 R180 | A170-Q176 PolarHBondContact O-NE2 3.28Å; L172-Q176 PolarHBondContact O-N 3.27Å; P173-Q176 WeakPolarHBondContact O-CA 3.5Å; P173-Q176 WeakPolarHBondContact O-CB 3.44Å; P173-Q176 PolarHBondContact O-N 3.2Å; Q176-V179 PolarHBondContact O-N 3.47Å; Q176-R180 PolarHBondContact O-N 2.83Å |
| 177 | D | 95.1 | Very high | 94.1 | Very high | 68 Ų | 68 | 80.2 Ų | 80.2 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 173.6 | -75.7 | -45.4 | 0 | 0 | 0 | 111.7 | P173 V174 I175 V179 R180 D181 | P173-D177 PolarHBondContact O-N 2.97Å; V174-D177 PolarHBondContact O-N 3.13Å; I175-D177 VanDerWaalsContact C-N 3.32Å; D177-V179 VanDerWaalsContact C-N 3.31Å; D177-V179 PolarHBondContact O-N 3.24Å; D177-R180 WeakPolarHBondContact O-CB 3.5Å; D177-R180 PolarHBondContact O-N 3.02Å; D177-R180 VanDerWaalsContact O-N 3.12Å; D177-R180 IonicContact OD1-CZ 3.04Å; D177-R180 VanDerWaalsContact OD1-CZ 3.27Å; D177-R180 IonicContact OD1-NH1 3.96Å; D177-R180 PolarHBondContact OD1-NH1 3.39Å; D177-R180 IonicContact OD1-NH2 3.68Å; D177-R180 PolarHBondContact OD1-NH2 3.49Å; D177-D181 VanDerWaalsContact O-CG 3.29Å; D177-D181 PolarHBondContact O-N 3.45Å |
| 178 | I | 95.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 74 Ų | 74 | 4% | 0.036 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.7 | -45.5 | 175.1 | -68.7 | 165.7 | 0 | 0 | 0 | 111 | I136 L137 P140 V162 V174 I175 R180 D181 V182 | I136-I178 HydrophobicContact CG2-CD1 3.74Å; L137-I178 HydrophobicContact CD2-CD1 4.37Å; P140-I178 HydrophobicContact CG-CB 4.32Å; P140-I178 HydrophobicContact CG-CG1 4.15Å; P140-I178 HydrophobicContact CG-CG2 4.03Å; V162-I178 HydrophobicContact CG1-CG2 4.29Å; V162-I178 HydrophobicContact CG2-CG2 4.36Å; V174-I178 HydrophobicContact CG1-CD1 4.28Å; V174-I178 WeakPolarHBondContact O-CG1 3.41Å; V174-I178 PolarHBondContact O-N 3.01Å; I175-I178 PolarHBondContact O-N 2.65Å; I178-R180 VanDerWaalsContact C-N 3.33Å; I178-R180 PolarHBondContact O-N 3.48Å; I178-D181 PolarHBondContact O-N 3.48Å; I178-V182 HydrophobicContact CG2-CG2 4.3Å; I178-V182 WeakPolarHBondContact O-CB 3.44Å; I178-V182 VanDerWaalsContact O-CG2 3.23Å; I178-V182 WeakPolarHBondContact O-CG2 3.41Å; I178-V182 PolarHBondContact O-N 3.04Å |
| 179 | V | 95.7 | Very high | 94.3 | Very high | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.03 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 178.3 | 169.3 | 0 | 0 | 0 | 0 | 111 | V162 E166 I175 Q176 D177 R183 | V162-V179 HydrophobicContact CG1-CB 4.28Å; V162-V179 HydrophobicContact CG1-CG2 3.61Å; E166-V179 HydrophobicContact CB-CG2 3.81Å; E166-V179 HydrophobicContact CG-CG2 4.06Å; I175-V179 HydrophobicContact CG2-CG2 4.38Å; I175-V179 WeakPolarHBondContact O-CB 3.33Å; I175-V179 WeakPolarHBondContact O-CG2 3.45Å; I175-V179 PolarHBondContact O-N 3.08Å; Q176-V179 PolarHBondContact O-N 3.47Å; D177-V179 VanDerWaalsContact C-N 3.31Å; D177-V179 PolarHBondContact O-N 3.24Å; V179-R183 HydrophobicContact CG1-CG 4.45Å; V179-R183 WeakPolarHBondContact O-CB 3.42Å; V179-R183 VanDerWaalsContact O-CG 3.23Å; V179-R183 WeakPolarHBondContact O-CG 3.19Å; V179-R183 PolarHBondContact O-N 3.18Å |
| 180 | R | 95.3 | Very high | 94.4 | Very high | 140 Ų | 140 | 63.4 Ų | 63.4 | 53% | 0.528 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.6 | -49.2 | 176.9 | -178.6 | -171.2 | 65.8 | -140.7 | -12.7 | 111 | Q176 D177 I178 V182 R183 Q184 | Q176-R180 PolarHBondContact O-N 2.83Å; D177-R180 WeakPolarHBondContact O-CB 3.5Å; D177-R180 PolarHBondContact O-N 3.02Å; D177-R180 VanDerWaalsContact O-N 3.12Å; D177-R180 IonicContact OD1-CZ 3.04Å; D177-R180 VanDerWaalsContact OD1-CZ 3.27Å; D177-R180 IonicContact OD1-NH1 3.96Å; D177-R180 PolarHBondContact OD1-NH1 3.39Å; D177-R180 IonicContact OD1-NH2 3.68Å; D177-R180 PolarHBondContact OD1-NH2 3.49Å; I178-R180 VanDerWaalsContact C-N 3.33Å; I178-R180 PolarHBondContact O-N 3.48Å; R180-V182 PolarHBondContact O-N 3.29Å; R180-R183 WeakPolarHBondContact O-CB 3.4Å; R180-R183 PolarHBondContact O-N 3.5Å; R180-Q184 PolarHBondContact O-N 3.47Å |
| 181 | D | 95.3 | Very high | 94.7 | Very high | 57 Ų | 57 | 65.7 Ų | 65.7 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.6 | -39.2 | -174.8 | -61.9 | -7 | 0 | 0 | 0 | 110.9 | P140 D177 I178 Q184 A185 | P140-D181 HydrophobicContact CB-CB 3.96Å; P140-D181 HydrophobicContact CG-CB 4.34Å; D177-D181 VanDerWaalsContact O-CG 3.29Å; D177-D181 PolarHBondContact O-N 3.45Å; I178-D181 PolarHBondContact O-N 3.48Å; D181-Q184 WeakPolarHBondContact O-CB 3.49Å; D181-Q184 PolarHBondContact O-N 3.09Å; D181-A185 PolarHBondContact O-N 3.49Å |
| 182 | V | 95.9 | Very high | 94.8 | Very high | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 173.6 | 171 | 0 | 0 | 0 | 0 | 111.7 | I139 M143 A159 V162 I178 R180 Q184 A185 A186 | I139-V182 HydrophobicContact CG2-CG2 4.16Å; M143-V182 HydrophobicContact CB-CG2 4.37Å; M143-V182 HydrophobicContact CE-CG1 4.27Å; M143-V182 HydrophobicContact CG-CG1 4.16Å; M143-V182 HydrophobicContact CG-CG2 4.41Å; M143-V182 HydrophobicContact SD-CG1 4.3Å; A159-V182 HydrophobicContact CB-CG1 4.46Å; V162-V182 HydrophobicContact CB-CG1 4.35Å; V162-V182 HydrophobicContact CG1-CB 4.3Å; V162-V182 HydrophobicContact CG1-CG1 4.34Å; V162-V182 HydrophobicContact CG1-CG2 4.37Å; V162-V182 HydrophobicContact CG2-CG1 4.35Å; V162-V182 HydrophobicContact CG2-CG2 4.02Å; I178-V182 HydrophobicContact CG2-CG2 4.3Å; I178-V182 WeakPolarHBondContact O-CB 3.44Å; I178-V182 VanDerWaalsContact O-CG2 3.23Å; I178-V182 WeakPolarHBondContact O-CG2 3.41Å; I178-V182 PolarHBondContact O-N 3.04Å; R180-V182 PolarHBondContact O-N 3.29Å; V182-Q184 VanDerWaalsContact C-N 3.33Å; V182-A185 PolarHBondContact O-N 3.47Å; V182-A186 WeakPolarHBondContact O-CB 3.36Å; V182-A186 PolarHBondContact O-N 3.49Å |
| 183 | R | 93.8 | Very high | 94.9 | Very high | 135 Ų | 135 | 59.3 Ų | 59.3 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 173.5 | -77 | 175 | -174.6 | 166.1 | 9.3 | 111.6 | E166 V179 R180 A186 Q187 | E166-R183 IonicContact OE1-CZ 2.68Å; E166-R183 IonicContact OE1-NH2 3.62Å; E166-R183 PolarHBondContact OE1-NH2 3.03Å; E166-R183 IonicContact OE2-NH2 3.82Å; E166-R183 PolarHBondContact OE2-NH2 3.42Å; V179-R183 HydrophobicContact CG1-CG 4.45Å; V179-R183 WeakPolarHBondContact O-CB 3.42Å; V179-R183 VanDerWaalsContact O-CG 3.23Å; V179-R183 WeakPolarHBondContact O-CG 3.19Å; V179-R183 PolarHBondContact O-N 3.18Å; R180-R183 WeakPolarHBondContact O-CB 3.4Å; R180-R183 PolarHBondContact O-N 3.5Å; R183-A186 PolarHBondContact O-N 2.88Å; R183-Q187 WeakPolarHBondContact O-CG 3.42Å; R183-Q187 PolarHBondContact O-N 3.43Å |
| 184 | Q | 94.8 | Very high | 94.8 | Very high | 126 Ų | 126 | 56.6 Ų | 56.6 | 59% | 0.589 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.2 | -44.9 | 175.9 | -171.7 | 177.7 | 12.6 | 0 | 0 | 111.6 | R180 D181 V182 A186 Q187 L188 | R180-Q184 PolarHBondContact O-N 3.47Å; D181-Q184 WeakPolarHBondContact O-CB 3.49Å; D181-Q184 PolarHBondContact O-N 3.09Å; V182-Q184 VanDerWaalsContact C-N 3.33Å; Q184-A186 VanDerWaalsContact C-N 3.34Å; Q184-A186 PolarHBondContact O-N 2.9Å; Q184-Q187 WeakPolarHBondContact O-CB 3.44Å; Q184-Q187 PolarHBondContact O-N 2.97Å; Q184-L188 PolarHBondContact O-N 2.95Å |
| 185 | A | 95.4 | Very high | 94.9 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M143 D181 V182 Q187 L188 M189 | M143-A185 HydrophobicContact CG-CB 3.64Å; D181-A185 PolarHBondContact O-N 3.49Å; V182-A185 PolarHBondContact O-N 3.47Å; A185-Q187 VanDerWaalsContact C-N 3.31Å; A185-Q187 PolarHBondContact O-N 3.44Å; A185-L188 WeakPolarHBondContact O-CB 3.38Å; A185-L188 PolarHBondContact O-N 3.29Å; A185-M189 PolarHBondContact O-N 3.25Å |
| 186 | A | 94.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 60.5 Ų | 60.5 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.5 | -32.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | M143 V182 R183 Q184 M189 L190 M216 | M143-A186 HydrophobicContact CE-CB 4.08Å; V182-A186 WeakPolarHBondContact O-CB 3.36Å; V182-A186 PolarHBondContact O-N 3.49Å; R183-A186 PolarHBondContact O-N 2.88Å; Q184-A186 VanDerWaalsContact C-N 3.34Å; Q184-A186 PolarHBondContact O-N 2.9Å; A186-M189 WeakPolarHBondContact O-CB 3.33Å; A186-M189 PolarHBondContact O-N 2.92Å; A186-L190 PolarHBondContact O-N 3.46Å; A186-M216 HydrophobicContact CB-CE 4.41Å; A186-M216 WeakPolarHBondContact O-CE 3.35Å |
| 187 | Q | 94.4 | Very high | 94.8 | Very high | 125 Ų | 125 | 55.1 Ų | 55.1 | 58% | 0.584 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.2 | -38.8 | 172.3 | -72.9 | 172 | -6.7 | 0 | 0 | 112 | R183 Q184 A185 M189 L190 N191 | R183-Q187 WeakPolarHBondContact O-CG 3.42Å; R183-Q187 PolarHBondContact O-N 3.43Å; Q184-Q187 WeakPolarHBondContact O-CB 3.44Å; Q184-Q187 PolarHBondContact O-N 2.97Å; A185-Q187 VanDerWaalsContact C-N 3.31Å; A185-Q187 PolarHBondContact O-N 3.44Å; Q187-M189 VanDerWaalsContact C-N 3.34Å; Q187-L190 WeakPolarHBondContact O-CB 3.4Å; Q187-L190 PolarHBondContact O-N 3.38Å; Q187-N191 PolarHBondContact O-N 3.41Å; Q187-N191 VanDerWaalsContact O-N 3.1Å; Q187-N191 PolarHBondContact O-ND2 2.96Å |
| 188 | L | 95.1 | Very high | 94.8 | Very high | 67 Ų | 67 | 58.8 Ų | 58.8 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 172.4 | -172.7 | 79.3 | 0 | 0 | 0 | 110.6 | V147 Q184 A185 L190 N191 Q192 | V147-L188 HydrophobicContact CG1-CB 4.24Å; V147-L188 HydrophobicContact CG1-CD2 3.83Å; V147-L188 HydrophobicContact CG1-CG 4.22Å; Q184-L188 PolarHBondContact O-N 2.95Å; A185-L188 WeakPolarHBondContact O-CB 3.38Å; A185-L188 PolarHBondContact O-N 3.29Å; L188-L190 VanDerWaalsContact C-N 3.34Å; L188-L190 PolarHBondContact O-N 2.92Å; L188-N191 PolarHBondContact O-N 3.49Å; L188-Q192 WeakPolarHBondContact O-CG 3.48Å; L188-Q192 PolarHBondContact O-N 2.85Å |
| 189 | M | 95.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.9 | -46.5 | 176.4 | -174.8 | 174 | 77.7 | 0 | 0 | 111.8 | V147 Y152 A155 L156 A185 A186 Q187 N191 Q192 L193 M216 | V147-M189 HydrophobicContact CB-CB 4.5Å; V147-M189 HydrophobicContact CG1-CB 3.71Å; V147-M189 HydrophobicContact CG1-CG 4.46Å; V147-M189 HydrophobicContact CG2-CB 3.94Å; V147-M189 HydrophobicContact CG2-CG 4.45Å; V147-M189 HydrophobicContact CG2-SD 4.3Å; Y152-M189 HydrophobicContact CD1-CG 3.54Å; Y152-M189 HydrophobicContact CD1-SD 3.72Å; Y152-M189 HydrophobicContact CE1-CG 3.79Å; Y152-M189 HydrophobicContact CG-CG 4.37Å; Y152-M189 HydrophobicContact CG-SD 4.32Å; A155-M189 HydrophobicContact CB-SD 3.88Å; L156-M189 HydrophobicContact CD2-CE 3.78Å; L156-M189 HydrophobicContact CG-CE 4.13Å; A185-M189 PolarHBondContact O-N 3.25Å; A186-M189 WeakPolarHBondContact O-CB 3.33Å; A186-M189 PolarHBondContact O-N 2.92Å; Q187-M189 VanDerWaalsContact C-N 3.34Å; M189-N191 VanDerWaalsContact C-N 3.32Å; M189-N191 PolarHBondContact O-N 3.46Å; M189-Q192 PolarHBondContact O-N 3.5Å; M189-L193 HydrophobicContact CG-CD1 4.04Å; M189-L193 HydrophobicContact CG-CG 4.38Å; M189-L193 WeakPolarHBondContact O-CB 3.43Å; M189-L193 VanDerWaalsContact O-CG 3.3Å; M189-L193 WeakPolarHBondContact O-CG 3.32Å; M189-L193 PolarHBondContact O-N 3.38Å; M189-M216 HydrophobicContact CE-CE 3.55Å; M189-M216 HydrophobicContact CE-CG 3.68Å; M189-M216 HydrophobicContact CE-SD 3.44Å; M189-M216 WeakPolarHBondContact CE-SD 3.46Å |
| 190 | L | 95.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 65.5 Ų | 65.5 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.6 | -47.1 | 176.3 | 171.7 | 59.2 | 0 | 0 | 0 | 111.6 | A186 Q187 L188 Q192 L193 L194 L213 M216 V218 F219 | A186-L190 PolarHBondContact O-N 3.46Å; Q187-L190 WeakPolarHBondContact O-CB 3.4Å; Q187-L190 PolarHBondContact O-N 3.38Å; L188-L190 VanDerWaalsContact C-N 3.34Å; L188-L190 PolarHBondContact O-N 2.92Å; L190-Q192 PolarHBondContact O-N 3.02Å; L190-L193 PolarHBondContact O-N 3.18Å; L190-L194 HydrophobicContact CD1-CD1 3.93Å; L190-L194 HydrophobicContact CD1-CG 4.02Å; L190-L194 HydrophobicContact CG-CD1 4.2Å; L190-L194 WeakPolarHBondContact O-CG 3.39Å; L190-L194 PolarHBondContact O-N 2.86Å; L190-L213 HydrophobicContact CD1-CD2 3.44Å; L190-L213 VanDerWaalsContact CD1-CD2 3.44Å; L190-M216 HydrophobicContact CB-CE 3.89Å; L190-M216 HydrophobicContact CB-SD 4.43Å; L190-V218 HydrophobicContact CD2-CG1 4.39Å; L190-F219 HydrophobicContact CD1-CE2 3.58Å; L190-F219 HydrophobicContact CD1-CZ 4Å; L190-F219 HydrophobicContact CD2-CZ 4.24Å |
| 191 | N | 94.4 | Very high | 94.3 | Very high | 103 Ų | 103 | 59.1 Ų | 59.1 | 55% | 0.551 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.8 | -41.4 | 179 | -71.4 | -30.7 | 0 | 0 | 0 | 112.1 | Q187 L188 M189 L194 Q195 | Q187-N191 PolarHBondContact O-N 3.41Å; Q187-N191 VanDerWaalsContact O-N 3.1Å; Q187-N191 PolarHBondContact O-ND2 2.96Å; L188-N191 PolarHBondContact O-N 3.49Å; M189-N191 VanDerWaalsContact C-N 3.32Å; M189-N191 PolarHBondContact O-N 3.46Å; N191-L194 PolarHBondContact O-N 2.96Å; N191-Q195 VanDerWaalsContact O-CB 3.31Å; N191-Q195 WeakPolarHBondContact O-CB 3.28Å; N191-Q195 PolarHBondContact O-N 3.2Å |
| 192 | Q | 94.9 | Very high | 94.2 | Very high | 53 Ų | 53 | 62 Ų | 62 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 176.4 | -69.6 | 171 | -18.2 | 0 | 0 | 111.7 | V147 Y152 L188 M189 L190 Q195 Q196 | V147-Q192 PolarHBondContact O-OE1 3.27Å; Y152-Q192 WeakPolarHBondContact OH-CB 3.5Å; Y152-Q192 PolarHBondContact OH-OE1 3.4Å; L188-Q192 WeakPolarHBondContact O-CG 3.48Å; L188-Q192 PolarHBondContact O-N 2.85Å; M189-Q192 PolarHBondContact O-N 3.5Å; L190-Q192 PolarHBondContact O-N 3.02Å; Q192-Q195 PolarHBondContact O-N 3.41Å; Q192-Q196 WeakPolarHBondContact O-CG 3.31Å; Q192-Q196 PolarHBondContact O-N 3.39Å |
| 193 | L | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 177 | -71 | 174.9 | 0 | 0 | 0 | 111.9 | Y152 M189 L190 Q195 Q196 L197 V209 Y212 L213 M216 | Y152-L193 HydrophobicContact CD2-CD2 3.71Å; Y152-L193 HydrophobicContact CE2-CD2 3.6Å; Y152-L193 HydrophobicContact CE2-CG 4.46Å; Y152-L193 HydrophobicContact CG-CD2 4.35Å; M189-L193 HydrophobicContact CG-CD1 4.04Å; M189-L193 HydrophobicContact CG-CG 4.38Å; M189-L193 WeakPolarHBondContact O-CB 3.43Å; M189-L193 VanDerWaalsContact O-CG 3.3Å; M189-L193 WeakPolarHBondContact O-CG 3.32Å; M189-L193 PolarHBondContact O-N 3.38Å; L190-L193 PolarHBondContact O-N 3.18Å; L193-Q195 VanDerWaalsContact C-N 3.29Å; L193-Q195 PolarHBondContact O-N 2.92Å; L193-Q196 WeakPolarHBondContact O-CB 3.48Å; L193-Q196 PolarHBondContact O-N 3.47Å; L193-L197 PolarHBondContact O-N 2.93Å; L193-V209 HydrophobicContact CB-CG1 3.99Å; L193-V209 HydrophobicContact CD2-CG1 4.11Å; L193-V209 HydrophobicContact CD2-CG2 4.2Å; L193-V209 WeakPolarHBondContact O-CG1 3.48Å; L193-Y212 HydrophobicContact CD2-CD2 3.84Å; L193-L213 HydrophobicContact CB-CD2 4.1Å; L193-L213 HydrophobicContact CB-CG 4.45Å; L193-L213 HydrophobicContact CD1-CD2 3.96Å; L193-L213 HydrophobicContact CD1-CG 4.31Å; L193-M216 HydrophobicContact CD1-SD 3.94Å |
| 194 | L | 93.9 | Very high | 94 | Very high | 28 Ų | 28 | 62.3 Ų | 62.3 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.5 | -36.4 | 175.4 | -69.6 | 177.6 | 0 | 0 | 0 | 112 | L190 N191 Q196 L197 R198 L213 | L190-L194 HydrophobicContact CD1-CD1 3.93Å; L190-L194 HydrophobicContact CD1-CG 4.02Å; L190-L194 HydrophobicContact CG-CD1 4.2Å; L190-L194 WeakPolarHBondContact O-CG 3.39Å; L190-L194 PolarHBondContact O-N 2.86Å; N191-L194 PolarHBondContact O-N 2.96Å; L194-Q196 VanDerWaalsContact C-N 3.33Å; L194-L197 PolarHBondContact O-N 3.39Å; L194-R198 PolarHBondContact O-N 3.42Å; L194-L213 HydrophobicContact CD2-CD1 4.21Å |
| 195 | Q | 93.8 | Very high | 94 | Very high | 115 Ų | 115 | 58.5 Ų | 58.5 | 54% | 0.537 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 175.7 | -170.5 | 63.8 | 15.9 | 0 | 0 | 112 | N191 Q192 L193 L197 R198 | N191-Q195 VanDerWaalsContact O-CB 3.31Å; N191-Q195 WeakPolarHBondContact O-CB 3.28Å; N191-Q195 PolarHBondContact O-N 3.2Å; Q192-Q195 PolarHBondContact O-N 3.41Å; L193-Q195 VanDerWaalsContact C-N 3.29Å; L193-Q195 PolarHBondContact O-N 2.92Å; Q195-L197 VanDerWaalsContact C-N 3.31Å; Q195-L197 PolarHBondContact O-N 2.86Å; Q195-R198 WeakPolarHBondContact O-CB 3.21Å; Q195-R198 PolarHBondContact O-N 3.15Å; Q195-R198 VanDerWaalsContact O-N 3.13Å |
| 196 | Q | 94 | Very high | 94 | Very high | 63 Ų | 63 | 58 Ų | 58 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 173.2 | -71.7 | -178.1 | 8.9 | 0 | 0 | 111.7 | Q192 L193 L194 R198 S199 V209 | Q192-Q196 WeakPolarHBondContact O-CG 3.31Å; Q192-Q196 PolarHBondContact O-N 3.39Å; L193-Q196 WeakPolarHBondContact O-CB 3.48Å; L193-Q196 PolarHBondContact O-N 3.47Å; L194-Q196 VanDerWaalsContact C-N 3.33Å; Q196-R198 VanDerWaalsContact C-N 3.26Å; Q196-R198 PolarHBondContact O-N 3.29Å; Q196-S199 PolarHBondContact O-N 2.95Å; Q196-S199 PolarHBondContact O-OG 3.23Å; Q196-V209 HydrophobicContact CB-CG2 4.29Å |
| 197 | L | 94 | Very high | 94 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.3 | -27 | 174.8 | -65.3 | 176.7 | 0 | 0 | 0 | 113.1 | L193 L194 Q195 S199 C206 V209 I210 L213 F228 A231 R232 | L193-L197 PolarHBondContact O-N 2.93Å; L194-L197 PolarHBondContact O-N 3.39Å; Q195-L197 VanDerWaalsContact C-N 3.31Å; Q195-L197 PolarHBondContact O-N 2.86Å; L197-S199 PolarHBondContact O-N 3.44Å; L197-C206 HydrophobicContact CD2-CB 4.39Å; L197-V209 HydrophobicContact CD1-CG1 4.01Å; L197-V209 HydrophobicContact CD2-CB 4.14Å; L197-V209 HydrophobicContact CD2-CG1 3.88Å; L197-V209 HydrophobicContact CG-CG1 3.72Å; L197-I210 HydrophobicContact CD1-CD1 4.04Å; L197-L213 HydrophobicContact CD1-CD1 4.11Å; L197-F228 HydrophobicContact CD1-CD2 4.44Å; L197-F228 HydrophobicContact CD2-CD2 4.28Å; L197-F228 HydrophobicContact CD2-CE2 4.36Å; L197-A231 HydrophobicContact CB-CB 3.7Å; L197-R232 WeakPolarHBondContact O-CD 3.43Å; L197-R232 PolarHBondContact O-NH1 3.46Å |
| 198 | R | 94.4 | Very high | 94 | Very high | 145 Ų | 145 | 61.1 Ų | 61.1 | 55% | 0.547 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 7.5 | 175.1 | -67.7 | 177.9 | 177.5 | -176.7 | -3.1 | 114.1 | L194 Q195 Q196 A231 W235 | L194-R198 PolarHBondContact O-N 3.42Å; Q195-R198 WeakPolarHBondContact O-CB 3.21Å; Q195-R198 PolarHBondContact O-N 3.15Å; Q195-R198 VanDerWaalsContact O-N 3.13Å; Q196-R198 VanDerWaalsContact C-N 3.26Å; Q196-R198 PolarHBondContact O-N 3.29Å; R198-A231 HydrophobicContact CG-CB 3.87Å; R198-W235 WeakPolarHBondContact O-CB 3.29Å |
| 199 | S | 92.9 | Very high | 94 | Very high | 54 Ų | 54 | 57.9 Ų | 57.9 | 38% | 0.378 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -109.2 | 178 | 177.3 | 75.4 | 0 | 0 | 0 | 0 | 111.6 | Q196 L197 A201 R232 | Q196-S199 PolarHBondContact O-N 2.95Å; Q196-S199 PolarHBondContact O-OG 3.23Å; L197-S199 PolarHBondContact O-N 3.44Å; S199-A201 PolarHBondContact O-N 3.39Å; S199-R232 PolarHBondContact O-NH1 3.35Å |
| 200 | N | 91.4 | Very high | 93.9 | Very high | 99 Ų | 99 | 57.9 Ų | 57.9 | 53% | 0.529 | 29% | 0.288 | S | S | . | . | trans | -74 | 75.3 | 172.9 | -171.5 | 12.8 | 0 | 0 | 0 | 111.1 | W235 | N200-W235 HydrophobicContact CB-CZ2 3.67Š| ||
| 201 | A | 91.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 5% | 0.05 | 29% | 0.294 | C | S | . | . | trans | -93.7 | 134.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112 | S199 V205 Q269 | S199-A201 PolarHBondContact O-N 3.39Å; A201-V205 HydrophobicContact CB-CB 4.39Å; A201-V205 HydrophobicContact CB-CG1 4.25Å; A201-Q269 PolarHBondContact O-NE2 3.35Å | ||
| 202 | Q | 93.3 | Very high | 93.9 | Very high | 118 Ų | 118 | 54.2 Ų | 54.2 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | trans | -78.2 | 161.2 | 172.9 | -63 | -62.9 | -30.4 | 0 | 0 | 111.2 | V205 C206 | Q202-V205 WeakPolarHBondContact O-CB 3.2Å; Q202-V205 PolarHBondContact O-N 3.2Å; Q202-C206 PolarHBondContact O-N 3.23Å; Q202-C206 VanDerWaalsContact O-N 3.09Å; Q202-C206 PolarHBondContact O-SG 3.14Å | ||
| 203 | L | 91.8 | Very high | 93.9 | Very high | 54 Ų | 54 | 51.8 Ų | 51.8 | 28% | 0.283 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -50.7 | -46 | -179.1 | 172.9 | 60 | 0 | 0 | 0 | 114.2 | V205 C206 L207 Q269 A272 I273 | L203-V205 VanDerWaalsContact C-N 3.26Å; L203-V205 PolarHBondContact O-N 3.41Å; L203-C206 PolarHBondContact O-N 3.4Å; L203-C206 VanDerWaalsContact O-N 3.14Å; L203-L207 HydrophobicContact CD1-CD1 3.88Å; L203-L207 HydrophobicContact CD1-CG 3.89Å; L203-L207 HydrophobicContact CG-CD1 3.94Å; L203-L207 HydrophobicContact CG-CG 4.43Å; L203-L207 PolarHBondContact O-N 3.36Å; L203-Q269 HydrophobicContact CB-CG 4.23Å; L203-Q269 HydrophobicContact CD1-CB 4.34Å; L203-Q269 HydrophobicContact CD1-CG 4.19Å; L203-A272 HydrophobicContact CD1-CB 3.77Å; L203-A272 HydrophobicContact CD2-CB 4.05Å; L203-I273 HydrophobicContact CD1-CG1 4.47Å |
| 204 | P | 94.4 | Very high | 93.8 | Very high | 94 Ų | 94 | 56.2 Ų | 56.2 | 61% | 0.61 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.8 | -35.1 | 179.7 | -24.9 | 35.5 | 0 | 0 | 0 | 113.5 | R208 | P204-R208 WeakPolarHBondContact O-CB 3.44Å; P204-R208 PolarHBondContact O-N 3.43Å; P204-R208 VanDerWaalsContact O-N 3.12Å |
| 205 | V | 93.9 | Very high | 93.8 | Very high | 45 Ų | 45 | 60.8 Ų | 60.8 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70.1 | -44.2 | 177 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | A201 Q202 L203 L207 R208 V209 | A201-V205 HydrophobicContact CB-CB 4.39Å; A201-V205 HydrophobicContact CB-CG1 4.25Å; Q202-V205 WeakPolarHBondContact O-CB 3.2Å; Q202-V205 PolarHBondContact O-N 3.2Å; L203-V205 VanDerWaalsContact C-N 3.26Å; L203-V205 PolarHBondContact O-N 3.41Å; V205-L207 PolarHBondContact O-N 2.89Å; V205-R208 PolarHBondContact O-N 3.34Å; V205-V209 HydrophobicContact CG1-CG2 4.24Å; V205-V209 WeakPolarHBondContact O-CB 3.41Å; V205-V209 VanDerWaalsContact O-CG2 3.3Å; V205-V209 WeakPolarHBondContact O-CG2 3.35Å; V205-V209 PolarHBondContact O-N 2.91Å |
| 206 | C | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 177.7 | -63.1 | 0 | 0 | 0 | 0 | 112 | L197 Q202 L203 R208 V209 I210 F228 I273 | L197-C206 HydrophobicContact CD2-CB 4.39Å; Q202-C206 PolarHBondContact O-N 3.23Å; Q202-C206 VanDerWaalsContact O-N 3.09Å; Q202-C206 PolarHBondContact O-SG 3.14Å; L203-C206 PolarHBondContact O-N 3.4Å; L203-C206 VanDerWaalsContact O-N 3.14Å; C206-R208 PolarHBondContact O-N 2.66Å; C206-V209 PolarHBondContact O-N 3.28Å; C206-I210 WeakPolarHBondContact O-CB 3.38Å; C206-I210 WeakPolarHBondContact O-CG1 3.23Å; C206-I210 PolarHBondContact O-N 3.32Å; C206-F228 HydrophobicContact CB-CE2 4.21Å; C206-I273 HydrophobicContact CB-CD1 3.75Å |
| 207 | L | 93.9 | Very high | 93.5 | Very high | 77 Ų | 77 | 58.7 Ų | 58.7 | 40% | 0.403 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.5 | -47.3 | 174.8 | -78.7 | 165.8 | 0 | 0 | 0 | 111.7 | L203 V205 G211 I273 | L203-L207 HydrophobicContact CD1-CD1 3.88Å; L203-L207 HydrophobicContact CD1-CG 3.89Å; L203-L207 HydrophobicContact CG-CD1 3.94Å; L203-L207 HydrophobicContact CG-CG 4.43Å; L203-L207 PolarHBondContact O-N 3.36Å; V205-L207 PolarHBondContact O-N 2.89Å; L207-G211 PolarHBondContact O-N 2.86Å; L207-I273 HydrophobicContact CD2-CB 4.45Å; L207-I273 HydrophobicContact CD2-CG1 3.69Å; L207-I273 HydrophobicContact CG-CG1 4.11Å |
| 208 | R | 94.6 | Very high | 93.3 | Very high | 133 Ų | 133 | 62.3 Ų | 62.3 | 50% | 0.502 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 179.2 | -173.9 | 173 | 64.6 | -156.5 | -1.1 | 112 | P204 V205 C206 G211 Y212 | P204-R208 WeakPolarHBondContact O-CB 3.44Å; P204-R208 PolarHBondContact O-N 3.43Å; P204-R208 VanDerWaalsContact O-N 3.12Å; V205-R208 PolarHBondContact O-N 3.34Å; C206-R208 PolarHBondContact O-N 2.66Å; R208-G211 PolarHBondContact O-N 3.27Å; R208-Y212 WeakPolarHBondContact CD-OH 3.41Å; R208-Y212 HydrophobicContact CG-CD2 4.29Å; R208-Y212 HydrophobicContact CG-CE1 4.18Å; R208-Y212 HydrophobicContact CG-CE2 3.56Å; R208-Y212 WeakPolarHBondContact O-CD2 3.21Å; R208-Y212 PolarHBondContact O-N 3.43Å |
| 209 | V | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 179.4 | 171 | 0 | 0 | 0 | 0 | 111.4 | L193 Q196 L197 V205 C206 G211 Y212 L213 | L193-V209 HydrophobicContact CB-CG1 3.99Å; L193-V209 HydrophobicContact CD2-CG1 4.11Å; L193-V209 HydrophobicContact CD2-CG2 4.2Å; L193-V209 WeakPolarHBondContact O-CG1 3.48Å; Q196-V209 HydrophobicContact CB-CG2 4.29Å; L197-V209 HydrophobicContact CD1-CG1 4.01Å; L197-V209 HydrophobicContact CD2-CB 4.14Å; L197-V209 HydrophobicContact CD2-CG1 3.88Å; L197-V209 HydrophobicContact CG-CG1 3.72Å; V205-V209 HydrophobicContact CG1-CG2 4.24Å; V205-V209 WeakPolarHBondContact O-CB 3.41Å; V205-V209 VanDerWaalsContact O-CG2 3.3Å; V205-V209 WeakPolarHBondContact O-CG2 3.35Å; V205-V209 PolarHBondContact O-N 2.91Å; C206-V209 PolarHBondContact O-N 3.28Å; V209-G211 VanDerWaalsContact C-N 3.29Å; V209-G211 PolarHBondContact O-N 3.46Å; V209-Y212 PolarHBondContact O-N 2.81Å; V209-L213 HydrophobicContact CG1-CD1 4.09Å; V209-L213 WeakPolarHBondContact O-CG 3.17Å; V209-L213 PolarHBondContact O-N 3.45Å |
| 210 | I | 94.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 175.8 | -66.4 | -72.4 | 0 | 0 | 0 | 110.9 | L197 C206 Y212 L213 R214 F228 I273 F274 | L197-I210 HydrophobicContact CD1-CD1 4.04Å; C206-I210 WeakPolarHBondContact O-CB 3.38Å; C206-I210 WeakPolarHBondContact O-CG1 3.23Å; C206-I210 PolarHBondContact O-N 3.32Å; I210-Y212 VanDerWaalsContact C-N 3.34Å; I210-Y212 PolarHBondContact O-N 3.37Å; I210-L213 HydrophobicContact CD1-CD1 4.13Å; I210-L213 PolarHBondContact O-N 2.75Å; I210-R214 HydrophobicContact CG2-CG 4.4Å; I210-R214 WeakPolarHBondContact O-CG 3.48Å; I210-R214 PolarHBondContact O-N 3.2Å; I210-F228 HydrophobicContact CD1-CB 4.17Å; I210-F228 HydrophobicContact CD1-CD2 3.97Å; I210-F228 HydrophobicContact CD1-CG 4.5Å; I210-F228 HydrophobicContact CG1-CD2 4.11Å; I210-I273 HydrophobicContact CB-CG2 4Å; I210-I273 HydrophobicContact CG1-CD1 4.34Å; I210-I273 HydrophobicContact CG1-CG2 4.1Å; I210-I273 HydrophobicContact CG2-CG2 3.58Å; I210-F274 HydrophobicContact CD1-CZ 4.39Å; I210-F274 HydrophobicContact CG2-CZ 4.4Å |
| 211 | G | 93.9 | Very high | 92.9 | Very high | 26 Ų | 26 | 56.7 Ų | 56.7 | 27% | 0.268 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.6 | -44.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L207 R208 V209 R215 | L207-G211 PolarHBondContact O-N 2.86Å; R208-G211 PolarHBondContact O-N 3.27Å; V209-G211 VanDerWaalsContact C-N 3.29Å; V209-G211 PolarHBondContact O-N 3.46Å; G211-R215 WeakPolarHBondContact O-CG 3.23Å; G211-R215 PolarHBondContact O-N 3.23Å; G211-R215 VanDerWaalsContact O-N 3.13Å |
| 212 | Y | 95.1 | Very high | 92.8 | Very high | 26 Ų | 26 | 57.9 Ų | 57.9 | 10% | 0.102 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.1 | -45 | 173.6 | -61.5 | -29.5 | 0 | 0 | 0 | 112.1 | Y152 E153 L156 L193 R208 V209 I210 R214 R215 M216 | Y152-Y212 AromaticContact CD2-CD2 3.96Å; Y152-Y212 HydrophobicContact CD2-CD2 3.96Å; Y152-Y212 AromaticContact CD2-CE2 3.79Å; Y152-Y212 HydrophobicContact CD2-CE2 3.79Å; Y152-Y212 HydrophobicContact CG-CD2 4.36Å; Y152-Y212 HydrophobicContact CG-CE2 4.32Å; E153-Y212 HydrophobicContact CG-CE1 3.62Å; L156-Y212 HydrophobicContact CD1-CD1 3.79Å; L156-Y212 HydrophobicContact CD1-CG 4.22Å; L193-Y212 HydrophobicContact CD2-CD2 3.84Å; R208-Y212 WeakPolarHBondContact CD-OH 3.41Å; R208-Y212 HydrophobicContact CG-CD2 4.29Å; R208-Y212 HydrophobicContact CG-CE1 4.18Å; R208-Y212 HydrophobicContact CG-CE2 3.56Å; R208-Y212 WeakPolarHBondContact O-CD2 3.21Å; R208-Y212 PolarHBondContact O-N 3.43Å; V209-Y212 PolarHBondContact O-N 2.81Å; I210-Y212 VanDerWaalsContact C-N 3.34Å; I210-Y212 PolarHBondContact O-N 3.37Å; Y212-R214 VanDerWaalsContact C-N 3.32Å; Y212-R214 PolarHBondContact O-N 2.98Å; Y212-R215 CarbonylContact O-C 3.59Å; Y212-R215 PolarHBondContact O-N 2.68Å; Y212-R215 VanDerWaalsContact O-N 3.08Å; Y212-M216 WeakPolarHBondContact O-CG 3.39Å; Y212-M216 PolarHBondContact O-N 3.27Å |
| 213 | L | 94.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 178.5 | -68.6 | 171.8 | 0 | 0 | 0 | 112.4 | L190 L193 L194 L197 V209 I210 M216 F219 L224 | L190-L213 HydrophobicContact CD1-CD2 3.44Å; L190-L213 VanDerWaalsContact CD1-CD2 3.44Å; L193-L213 HydrophobicContact CB-CD2 4.1Å; L193-L213 HydrophobicContact CB-CG 4.45Å; L193-L213 HydrophobicContact CD1-CD2 3.96Å; L193-L213 HydrophobicContact CD1-CG 4.31Å; L194-L213 HydrophobicContact CD2-CD1 4.21Å; L197-L213 HydrophobicContact CD1-CD1 4.11Å; V209-L213 HydrophobicContact CG1-CD1 4.09Å; V209-L213 WeakPolarHBondContact O-CG 3.17Å; V209-L213 PolarHBondContact O-N 3.45Å; I210-L213 HydrophobicContact CD1-CD1 4.13Å; I210-L213 PolarHBondContact O-N 2.75Å; L213-M216 HydrophobicContact CD2-SD 4.12Å; L213-M216 PolarHBondContact O-N 3.01Å; L213-F219 HydrophobicContact CD2-CE2 4.46Å; L213-L224 HydrophobicContact CB-CD2 3.79Å |
| 214 | R | 93.6 | Very high | 92.8 | Very high | 93 Ų | 93 | 54.2 Ų | 54.2 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 171.1 | -76.6 | -179.3 | 179.1 | 138.6 | -0.8 | 111.4 | I210 Y212 M216 D217 E221 L224 I273 | I210-R214 HydrophobicContact CG2-CG 4.4Å; I210-R214 WeakPolarHBondContact O-CG 3.48Å; I210-R214 PolarHBondContact O-N 3.2Å; Y212-R214 VanDerWaalsContact C-N 3.32Å; Y212-R214 PolarHBondContact O-N 2.98Å; R214-M216 VanDerWaalsContact C-N 3.31Å; R214-M216 PolarHBondContact O-N 3.09Å; R214-D217 PolarHBondContact O-N 3.17Å; R214-E221 IonicContact CZ-OE1 3.02Å; R214-E221 IonicContact NE-OE1 3.47Å; R214-E221 PolarHBondContact NE-OE1 2.86Å; R214-E221 IonicContact NE-OE2 2.98Å; R214-E221 PolarHBondContact NE-OE2 3.06Å; R214-E221 IonicContact NH2-OE1 3.53Å; R214-E221 PolarHBondContact NH2-OE1 3.35Å; R214-L224 HydrophobicContact CB-CD1 4.43Å; R214-L224 HydrophobicContact CG-CD1 3.43Å; R214-L224 VanDerWaalsContact CG-CD1 3.43Å; R214-I273 PolarHBondContact NH2-O 2.98Å |
| 215 | R | 93 | Very high | 92.8 | Very high | 124 Ų | 124 | 50.5 Ų | 50.5 | 47% | 0.468 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.7 | -26.6 | 177.9 | -73.1 | 177.3 | 65.4 | -177.4 | -0.9 | 113.8 | L156 G211 Y212 D217 | L156-R215 HydrophobicContact CD1-CB 3.98Å; L156-R215 HydrophobicContact CD2-CB 4.27Å; G211-R215 WeakPolarHBondContact O-CG 3.23Å; G211-R215 PolarHBondContact O-N 3.23Å; G211-R215 VanDerWaalsContact O-N 3.13Å; Y212-R215 CarbonylContact O-C 3.59Å; Y212-R215 PolarHBondContact O-N 2.68Å; Y212-R215 VanDerWaalsContact O-N 3.08Å; R215-D217 PolarHBondContact O-N 3.21Å |
| 216 | M | 91.8 | Very high | 92.8 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -26.1 | 174.4 | -70.1 | -175.6 | 74.1 | 0 | 0 | 112.1 | L156 R163 A186 M189 L190 L193 Y212 L213 R214 V218 | L156-M216 HydrophobicContact CD2-CB 4.47Å; L156-M216 HydrophobicContact CD2-CG 3.58Å; R163-M216 PolarHBondContact NH2-O 2.92Å; A186-M216 HydrophobicContact CB-CE 4.41Å; A186-M216 WeakPolarHBondContact O-CE 3.35Å; M189-M216 HydrophobicContact CE-CE 3.55Å; M189-M216 HydrophobicContact CE-CG 3.68Å; M189-M216 HydrophobicContact CE-SD 3.44Å; M189-M216 WeakPolarHBondContact CE-SD 3.46Å; L190-M216 HydrophobicContact CB-CE 3.89Å; L190-M216 HydrophobicContact CB-SD 4.43Å; L193-M216 HydrophobicContact CD1-SD 3.94Å; Y212-M216 WeakPolarHBondContact O-CG 3.39Å; Y212-M216 PolarHBondContact O-N 3.27Å; L213-M216 HydrophobicContact CD2-SD 4.12Å; L213-M216 PolarHBondContact O-N 3.01Å; R214-M216 VanDerWaalsContact C-N 3.31Å; R214-M216 PolarHBondContact O-N 3.09Å; M216-V218 VanDerWaalsContact C-N 3.27Å; M216-V218 HydrophobicContact CB-CG2 3.96Å; M216-V218 HydrophobicContact CE-CG2 4.43Å; M216-V218 PolarHBondContact O-N 3.2Å |
| 217 | D | 89.5 | Confident | 92.7 | Very high | 127 Ų | 127 | 54.6 Ų | 54.6 | 68% | 0.679 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 39.8 | 178.2 | -163.6 | 35.7 | 0 | 0 | 0 | 112.2 | R214 R215 | R214-D217 PolarHBondContact O-N 3.17Å; R215-D217 PolarHBondContact O-N 3.21Å |
| 218 | V | 90.4 | Very high | 92.8 | Very high | 77 Ų | 77 | 50.9 Ų | 50.9 | 47% | 0.467 | 25% | 0.25 | S | S | . | . | trans | -101.2 | -22.6 | 179.8 | 179 | 0 | 0 | 0 | 0 | 111.8 | L190 M216 | L190-V218 HydrophobicContact CD2-CG1 4.39Å; M216-V218 VanDerWaalsContact C-N 3.27Å; M216-V218 HydrophobicContact CB-CG2 3.96Å; M216-V218 HydrophobicContact CE-CG2 4.43Å; M216-V218 PolarHBondContact O-N 3.2Å | ||
| 219 | F | 92.4 | Very high | 92.8 | Very high | 38 Ų | 38 | 44.8 Ų | 44.8 | 17% | 0.167 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -127.4 | 143 | -176.6 | -61 | -61.3 | 0 | 0 | 0 | 110.3 | L190 L213 E223 L224 K227 | L190-F219 HydrophobicContact CD1-CE2 3.58Å; L190-F219 HydrophobicContact CD1-CZ 4Å; L190-F219 HydrophobicContact CD2-CZ 4.24Å; L213-F219 HydrophobicContact CD2-CE2 4.46Å; F219-E223 WeakPolarHBondContact CA-OE2 3.23Å; F219-E223 HydrophobicContact CB-CB 3.97Å; F219-E223 HydrophobicContact CD1-CB 4.15Å; F219-E223 HydrophobicContact CG-CB 4.43Å; F219-L224 HydrophobicContact CB-CD2 3.69Å; F219-L224 HydrophobicContact CB-CG 3.68Å; F219-L224 HydrophobicContact CD2-CD2 3.61Å; F219-L224 HydrophobicContact CG-CD2 4.04Å; F219-K227 HydrophobicContact CE1-CG 4.3Å; F219-K227 HydrophobicContact CZ-CG 4.34Å |
| 220 | T | 90.9 | Very high | 92.8 | Very high | 81 Ų | 81 | 50 Ų | 50 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | trans | -67.6 | 162.9 | 163.1 | 61.3 | 0 | 0 | 0 | 0 | 110.9 | A222 E223 L224 | T220-A222 VanDerWaalsContact C-N 3.28Å; T220-A222 PolarHBondContact O-N 3.1Å; T220-E223 PolarHBondContact N-OE2 2.68Å; T220-E223 PolarHBondContact O-N 3.21Å; T220-E223 VanDerWaalsContact O-N 3.11Å; T220-E223 WeakPolarHBondContact OG1-CB 3.5Å; T220-E223 VanDerWaalsContact OG1-CD 3.28Å; T220-E223 WeakPolarHBondContact OG1-CG 3.3Å; T220-E223 PolarHBondContact OG1-N 3.49Å; T220-E223 PolarHBondContact OG1-OE2 2.88Å; T220-L224 WeakPolarHBondContact O-CG 3.3Å; T220-L224 PolarHBondContact O-N 2.89Å | ||
| 221 | E | 87.9 | Confident | 92.9 | Very high | 61 Ų | 61 | 50.1 Ų | 50.1 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 179.7 | -165.8 | 71.1 | -172.9 | 0 | 0 | 112 | R214 L224 R225 F274 | R214-E221 IonicContact CZ-OE1 3.02Å; R214-E221 IonicContact NE-OE1 3.47Å; R214-E221 PolarHBondContact NE-OE1 2.86Å; R214-E221 IonicContact NE-OE2 2.98Å; R214-E221 PolarHBondContact NE-OE2 3.06Å; R214-E221 IonicContact NH2-OE1 3.53Å; R214-E221 PolarHBondContact NH2-OE1 3.35Å; E221-L224 PolarHBondContact O-N 3.02Å; E221-R225 WeakPolarHBondContact O-CG 3.32Å; E221-R225 PolarHBondContact O-N 2.59Å; E221-F274 VanDerWaalsContact OE1-CD1 3.28Å; E221-F274 WeakPolarHBondContact OE1-CD1 3.35Å |
| 222 | A | 88.9 | Confident | 92.9 | Very high | 31 Ų | 31 | 49 Ų | 49 | 26% | 0.256 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T220 R225 V226 I295 | T220-A222 VanDerWaalsContact C-N 3.28Å; T220-A222 PolarHBondContact O-N 3.1Å; A222-R225 PolarHBondContact O-N 3.15Å; A222-V226 WeakPolarHBondContact O-CG2 3.36Å; A222-V226 PolarHBondContact O-N 3.08Å; A222-V226 VanDerWaalsContact O-N 3.09Å; A222-I295 HydrophobicContact CB-CD1 4.46Å |
| 223 | E | 92.3 | Very high | 92.9 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66 | -37.8 | 175.8 | -73 | 167.2 | 147.9 | 0 | 0 | 112 | F219 T220 V226 K227 | F219-E223 WeakPolarHBondContact CA-OE2 3.23Å; F219-E223 HydrophobicContact CB-CB 3.97Å; F219-E223 HydrophobicContact CD1-CB 4.15Å; F219-E223 HydrophobicContact CG-CB 4.43Å; T220-E223 PolarHBondContact N-OE2 2.68Å; T220-E223 PolarHBondContact O-N 3.21Å; T220-E223 VanDerWaalsContact O-N 3.11Å; T220-E223 WeakPolarHBondContact OG1-CB 3.5Å; T220-E223 VanDerWaalsContact OG1-CD 3.28Å; T220-E223 WeakPolarHBondContact OG1-CG 3.3Å; T220-E223 PolarHBondContact OG1-N 3.49Å; T220-E223 PolarHBondContact OG1-OE2 2.88Å; E223-V226 PolarHBondContact O-N 3.32Å; E223-K227 WeakPolarHBondContact O-CB 3.37Å; E223-K227 VanDerWaalsContact O-CG 3.23Å; E223-K227 WeakPolarHBondContact O-CG 3.47Å; E223-K227 PolarHBondContact O-N 3.41Å |
| 224 | L | 93.1 | Very high | 93 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 174.7 | -74.8 | 176.1 | 0 | 0 | 0 | 111.8 | L213 R214 F219 T220 E221 K227 F228 F274 | L213-L224 HydrophobicContact CB-CD2 3.79Å; R214-L224 HydrophobicContact CB-CD1 4.43Å; R214-L224 HydrophobicContact CG-CD1 3.43Å; R214-L224 VanDerWaalsContact CG-CD1 3.43Å; F219-L224 HydrophobicContact CB-CD2 3.69Å; F219-L224 HydrophobicContact CB-CG 3.68Å; F219-L224 HydrophobicContact CD2-CD2 3.61Å; F219-L224 HydrophobicContact CG-CD2 4.04Å; T220-L224 WeakPolarHBondContact O-CG 3.3Å; T220-L224 PolarHBondContact O-N 2.89Å; E221-L224 PolarHBondContact O-N 3.02Å; L224-K227 PolarHBondContact O-N 2.85Å; L224-F228 VanDerWaalsContact O-CB 3.29Å; L224-F228 WeakPolarHBondContact O-CB 3.29Å; L224-F228 PolarHBondContact O-N 3.24Å; L224-F274 HydrophobicContact CB-CE1 4.19Å; L224-F274 HydrophobicContact CB-CZ 4.38Å |
| 225 | R | 93.1 | Very high | 93.1 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 6% | 0.057 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.6 | -49.5 | 174.4 | -74.3 | 173.8 | 171.4 | 115.8 | -10.2 | 111.3 | E221 A222 F228 L229 Y270 F274 D276 E292 | E221-R225 WeakPolarHBondContact O-CG 3.32Å; E221-R225 PolarHBondContact O-N 2.59Å; A222-R225 PolarHBondContact O-N 3.15Å; R225-F228 PolarHBondContact O-N 3.05Å; R225-L229 WeakPolarHBondContact O-CG 3.45Å; R225-L229 PolarHBondContact O-N 3.32Å; R225-Y270 HydrophobicContact CB-CE2 4.04Å; R225-Y270 WeakPolarHBondContact CD-OH 3.38Å; R225-Y270 HydrophobicContact CG-CE2 3.96Å; R225-Y270 WeakPolarHBondContact CG-OH 3.5Å; R225-Y270 PolarHBondContact NE-OH 3.43Å; R225-F274 HydrophobicContact CB-CE1 4.48Å; R225-F274 HydrophobicContact CB-CZ 4.45Å; R225-F274 HydrophobicContact CG-CB 4.45Å; R225-F274 HydrophobicContact CG-CD1 3.46Å; R225-F274 VanDerWaalsContact CG-CD1 3.46Å; R225-F274 HydrophobicContact CG-CD2 4.04Å; R225-F274 HydrophobicContact CG-CE1 3.56Å; R225-F274 HydrophobicContact CG-CE2 4.12Å; R225-F274 HydrophobicContact CG-CG 3.72Å; R225-F274 HydrophobicContact CG-CZ 3.9Å; R225-D276 IonicContact NH2-OD1 3.77Å; R225-D276 PolarHBondContact NH2-OD1 3.28Å; R225-E292 IonicContact CZ-OE2 3.82Å; R225-E292 IonicContact NH1-OE1 3.98Å; R225-E292 IonicContact NH1-OE2 3.57Å; R225-E292 PolarHBondContact NH1-OE2 3.4Å; R225-E292 IonicContact NH2-OE2 3.8Å; R225-E292 PolarHBondContact NH2-OE2 3.39Å |
| 226 | V | 93.4 | Very high | 93.2 | Very high | 51 Ų | 51 | 40.5 Ų | 40.5 | 31% | 0.309 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 177.9 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | A222 E223 F228 L229 Q230 I295 | A222-V226 WeakPolarHBondContact O-CG2 3.36Å; A222-V226 PolarHBondContact O-N 3.08Å; A222-V226 VanDerWaalsContact O-N 3.09Å; E223-V226 PolarHBondContact O-N 3.32Å; V226-F228 VanDerWaalsContact C-N 3.34Å; V226-F228 PolarHBondContact O-N 2.93Å; V226-L229 PolarHBondContact O-N 2.7Å; V226-Q230 HydrophobicContact CG1-CG 4.16Å; V226-Q230 VanDerWaalsContact O-CB 3.3Å; V226-Q230 WeakPolarHBondContact O-CB 3.23Å; V226-Q230 VanDerWaalsContact O-CG 3.23Å; V226-Q230 WeakPolarHBondContact O-CG 3.36Å; V226-Q230 PolarHBondContact O-N 2.91Å; V226-I295 HydrophobicContact CG2-CD1 4.13Å; V226-I295 HydrophobicContact CG2-CG2 3.84Å |
| 227 | K | 94.3 | Very high | 93.4 | Very high | 80 Ų | 80 | 42 Ų | 42 | 35% | 0.348 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.5 | -39.4 | 179.3 | -72.8 | -67.5 | 179.1 | -169 | 0 | 112.3 | F219 E223 L224 A231 | F219-K227 HydrophobicContact CE1-CG 4.3Å; F219-K227 HydrophobicContact CZ-CG 4.34Å; E223-K227 WeakPolarHBondContact O-CB 3.37Å; E223-K227 VanDerWaalsContact O-CG 3.23Å; E223-K227 WeakPolarHBondContact O-CG 3.47Å; E223-K227 PolarHBondContact O-N 3.41Å; L224-K227 PolarHBondContact O-N 2.85Å; K227-A231 VanDerWaalsContact O-CB 3.29Å; K227-A231 WeakPolarHBondContact O-CB 3.39Å; K227-A231 PolarHBondContact O-N 3Å |
| 228 | F | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -53.8 | 174.2 | 177.2 | -92.1 | 0 | 0 | 0 | 110.8 | L197 C206 I210 L224 R225 V226 Q230 A231 R232 I266 Q269 Y270 I273 F274 | L197-F228 HydrophobicContact CD1-CD2 4.44Å; L197-F228 HydrophobicContact CD2-CD2 4.28Å; L197-F228 HydrophobicContact CD2-CE2 4.36Å; C206-F228 HydrophobicContact CB-CE2 4.21Å; I210-F228 HydrophobicContact CD1-CB 4.17Å; I210-F228 HydrophobicContact CD1-CD2 3.97Å; I210-F228 HydrophobicContact CD1-CG 4.5Å; I210-F228 HydrophobicContact CG1-CD2 4.11Å; L224-F228 VanDerWaalsContact O-CB 3.29Å; L224-F228 WeakPolarHBondContact O-CB 3.29Å; L224-F228 PolarHBondContact O-N 3.24Å; R225-F228 PolarHBondContact O-N 3.05Å; V226-F228 VanDerWaalsContact C-N 3.34Å; V226-F228 PolarHBondContact O-N 2.93Å; F228-Q230 VanDerWaalsContact C-N 3.32Å; F228-Q230 PolarHBondContact O-N 3.09Å; F228-A231 PolarHBondContact O-N 3.29Å; F228-R232 HydrophobicContact CD1-CG 4.12Å; F228-R232 HydrophobicContact CD2-CG 4.16Å; F228-R232 HydrophobicContact CE1-CG 3.71Å; F228-R232 HydrophobicContact CE2-CG 3.76Å; F228-R232 HydrophobicContact CG-CG 4.34Å; F228-R232 HydrophobicContact CZ-CG 3.52Å; F228-R232 WeakPolarHBondContact O-CB 3.38Å; F228-R232 WeakPolarHBondContact O-CG 3.4Å; F228-R232 PolarHBondContact O-N 3.11Å; F228-I266 HydrophobicContact CE1-CG2 4.36Å; F228-Q269 HydrophobicContact CZ-CB 3.83Å; F228-Y270 AromaticContact CD1-CD2 3.86Å; F228-Y270 HydrophobicContact CD1-CD2 3.86Å; F228-Y270 HydrophobicContact CE1-CD2 4.14Å; F228-I273 HydrophobicContact CD2-CD1 4.24Å; F228-I273 HydrophobicContact CE2-CD1 3.6Å; F228-I273 HydrophobicContact CZ-CD1 3.92Å; F228-F274 HydrophobicContact CB-CE2 4.04Å; F228-F274 HydrophobicContact CB-CZ 4.19Å; F228-F274 HydrophobicContact CD1-CE2 4.14Å; F228-F274 HydrophobicContact CG-CE2 4.01Å |
| 229 | L | 95.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.6 | -36.3 | -179.7 | -67.4 | 173.7 | 0 | 0 | 0 | 112.4 | R225 V226 G233 Y270 I295 W299 | R225-L229 WeakPolarHBondContact O-CG 3.45Å; R225-L229 PolarHBondContact O-N 3.32Å; V226-L229 PolarHBondContact O-N 2.7Å; L229-G233 WeakPolarHBondContact O-CA 3.22Å; L229-G233 PolarHBondContact O-N 3.38Å; L229-Y270 HydrophobicContact CD1-CD2 4.26Å; L229-Y270 HydrophobicContact CD1-CE2 3.91Å; L229-Y270 HydrophobicContact CD2-CD2 3.65Å; L229-Y270 HydrophobicContact CD2-CE2 4.17Å; L229-Y270 HydrophobicContact CD2-CG 4.31Å; L229-Y270 HydrophobicContact CG-CD2 3.93Å; L229-Y270 HydrophobicContact CG-CE2 3.99Å; L229-I295 HydrophobicContact CD1-CG2 3.98Å; L229-W299 HydrophobicContact CB-CD2 4.28Å; L229-W299 HydrophobicContact CB-CG 4.11Å; L229-W299 HydrophobicContact CD1-CB 3.94Å; L229-W299 HydrophobicContact CD1-CD2 4.48Å; L229-W299 HydrophobicContact CD1-CG 4.05Å; L229-W299 HydrophobicContact CD2-CD2 3.81Å; L229-W299 HydrophobicContact CD2-CE3 3.81Å; L229-W299 HydrophobicContact CD2-CG 4.25Å; L229-W299 HydrophobicContact CD2-CZ3 4.18Å; L229-W299 HydrophobicContact CG-CD2 4.41Å; L229-W299 HydrophobicContact CG-CG 4.37Å; L229-W299 PolarHBondContact O-NE1 3.4Å |
| 230 | Q | 95.1 | Very high | 94.1 | Very high | 111 Ų | 111 | 37.2 Ų | 37.2 | 52% | 0.519 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 172.8 | -77.2 | 177.3 | -8.3 | 0 | 0 | 112 | V226 F228 G234 | V226-Q230 HydrophobicContact CG1-CG 4.16Å; V226-Q230 VanDerWaalsContact O-CB 3.3Å; V226-Q230 WeakPolarHBondContact O-CB 3.23Å; V226-Q230 VanDerWaalsContact O-CG 3.23Å; V226-Q230 WeakPolarHBondContact O-CG 3.36Å; V226-Q230 PolarHBondContact O-N 2.91Å; F228-Q230 VanDerWaalsContact C-N 3.32Å; F228-Q230 PolarHBondContact O-N 3.09Å; Q230-G234 PolarHBondContact O-N 3.34Å |
| 231 | A | 95.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.7 | -48.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L197 R198 K227 F228 G234 W235 | L197-A231 HydrophobicContact CB-CB 3.7Å; R198-A231 HydrophobicContact CG-CB 3.87Å; K227-A231 VanDerWaalsContact O-CB 3.29Å; K227-A231 WeakPolarHBondContact O-CB 3.39Å; K227-A231 PolarHBondContact O-N 3Å; F228-A231 PolarHBondContact O-N 3.29Å; A231-G234 PolarHBondContact O-N 3.38Å; A231-W235 PolarHBondContact O-N 3.33Å |
| 232 | R | 95.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | 177.1 | -63.2 | -52.9 | -69.3 | 142.7 | 2.7 | 111.9 | L197 S199 F228 W235 L236 I266 | L197-R232 WeakPolarHBondContact O-CD 3.43Å; L197-R232 PolarHBondContact O-NH1 3.46Å; S199-R232 PolarHBondContact O-NH1 3.35Å; F228-R232 HydrophobicContact CD1-CG 4.12Å; F228-R232 HydrophobicContact CD2-CG 4.16Å; F228-R232 HydrophobicContact CE1-CG 3.71Å; F228-R232 HydrophobicContact CE2-CG 3.76Å; F228-R232 HydrophobicContact CG-CG 4.34Å; F228-R232 HydrophobicContact CZ-CG 3.52Å; F228-R232 WeakPolarHBondContact O-CB 3.38Å; F228-R232 WeakPolarHBondContact O-CG 3.4Å; F228-R232 PolarHBondContact O-N 3.11Å; R232-W235 VanDerWaalsContact NH2-CZ3 3.28Å; R232-W235 PolarHBondContact O-N 3.05Å; R232-L236 PolarHBondContact O-N 3.49Å; R232-I266 HydrophobicContact CB-CB 4.48Å; R232-I266 HydrophobicContact CB-CD1 3.94Å; R232-I266 HydrophobicContact CB-CG1 3.91Å; R232-I266 HydrophobicContact CB-CG2 3.73Å; R232-I266 HydrophobicContact CG-CG1 4.44Å; R232-I266 HydrophobicContact CG-CG2 4.19Å |
| 233 | G | 95 | Very high | 94.9 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.3 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L229 W235 L236 S237 | L229-G233 WeakPolarHBondContact O-CA 3.22Å; L229-G233 PolarHBondContact O-N 3.38Å; G233-W235 VanDerWaalsContact C-N 3.34Å; G233-L236 PolarHBondContact O-N 2.94Å; G233-S237 PolarHBondContact O-N 3.28Å; G233-S237 PolarHBondContact O-OG 3.47Å |
| 234 | G | 95 | Very high | 95 | Very high | 41 Ų | 41 | 38.5 Ų | 38.5 | 42% | 0.423 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q230 A231 S238 | Q230-G234 PolarHBondContact O-N 3.34Å; A231-G234 PolarHBondContact O-N 3.38Å; G234-S238 PolarHBondContact O-N 3.48Å |
| 235 | W | 95.9 | Very high | 95 | Very high | 20 Ų | 20 | 41.6 Ų | 41.6 | 8% | 0.076 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -47.7 | 171.6 | 172.1 | 70.9 | 0 | 0 | 0 | 111.9 | R198 N200 A231 R232 G233 S237 S238 V239 H262 I266 | R198-W235 WeakPolarHBondContact O-CB 3.29Å; N200-W235 HydrophobicContact CB-CZ2 3.67Å; A231-W235 PolarHBondContact O-N 3.33Å; R232-W235 VanDerWaalsContact NH2-CZ3 3.28Å; R232-W235 PolarHBondContact O-N 3.05Å; G233-W235 VanDerWaalsContact C-N 3.34Å; W235-S237 VanDerWaalsContact C-N 3.33Å; W235-S237 PolarHBondContact O-N 2.9Å; W235-S238 PolarHBondContact O-N 3.39Å; W235-S238 VanDerWaalsContact O-N 3.09Å; W235-S238 PolarHBondContact O-OG 3.41Å; W235-V239 HydrophobicContact CD2-CG2 4.33Å; W235-V239 HydrophobicContact CZ2-CG2 3.91Å; W235-V239 WeakPolarHBondContact O-CG2 3.32Å; W235-V239 PolarHBondContact O-N 2.98Å; W235-H262 HydrophobicContact CH2-CB 4.09Å; W235-H262 AromaticContact CH2-CG 3.74Å; W235-H262 AromaticContact CH2-ND1 3.56Å; W235-H262 HydrophobicContact CZ3-CB 3.94Å; W235-I266 HydrophobicContact CE3-CD1 4.29Å; W235-I266 HydrophobicContact CZ3-CD1 4.3Å |
| 236 | L | 95.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.5 | -47.5 | 176.2 | 176.5 | 62.8 | 0 | 0 | 0 | 111.2 | R232 G233 S238 V239 L240 H262 L263 I266 | R232-L236 PolarHBondContact O-N 3.49Å; G233-L236 PolarHBondContact O-N 2.94Å; L236-S238 VanDerWaalsContact C-N 3.3Å; L236-S238 PolarHBondContact O-N 3.49Å; L236-V239 WeakPolarHBondContact O-CB 3.36Å; L236-V239 PolarHBondContact O-N 3.47Å; L236-L240 HydrophobicContact CD1-CD1 4.36Å; L236-L240 HydrophobicContact CD1-CG 4.24Å; L236-L240 HydrophobicContact CG-CD1 4.17Å; L236-L240 HydrophobicContact CG-CG 4.42Å; L236-L240 WeakPolarHBondContact O-CG 3.26Å; L236-L240 PolarHBondContact O-N 3.47Å; L236-H262 HydrophobicContact CD1-CB 3.71Å; L236-L263 HydrophobicContact CD2-CB 4.43Å; L236-L263 HydrophobicContact CD2-CD1 4.06Å; L236-I266 HydrophobicContact CB-CD1 4.03Å; L236-I266 HydrophobicContact CD2-CD1 4.32Å |
| 237 | S | 95.6 | Very high | 95 | Very high | 38 Ų | 38 | 49 Ų | 49 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55.9 | -44.5 | 175.5 | -66.3 | 0 | 0 | 0 | 0 | 111.5 | G233 W235 V239 L240 D241 | G233-S237 PolarHBondContact O-N 3.28Å; G233-S237 PolarHBondContact O-OG 3.47Å; W235-S237 VanDerWaalsContact C-N 3.33Å; W235-S237 PolarHBondContact O-N 2.9Å; S237-V239 VanDerWaalsContact C-N 3.26Å; S237-V239 PolarHBondContact O-N 3.29Å; S237-L240 PolarHBondContact O-N 3.03Å; S237-L240 VanDerWaalsContact O-N 3.13Å; S237-D241 WeakPolarHBondContact O-CB 3.27Å; S237-D241 PolarHBondContact O-N 3.5Å |
| 238 | S | 95.8 | Very high | 94.9 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 44% | 0.441 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -29.6 | 176.5 | 74.7 | 0 | 0 | 0 | 0 | 114.2 | G234 W235 L236 A242 | G234-S238 PolarHBondContact O-N 3.48Å; W235-S238 PolarHBondContact O-N 3.39Å; W235-S238 VanDerWaalsContact O-N 3.09Å; W235-S238 PolarHBondContact O-OG 3.41Å; L236-S238 VanDerWaalsContact C-N 3.3Å; L236-S238 PolarHBondContact O-N 3.49Å; S238-A242 PolarHBondContact O-N 3.49Å |
| 239 | V | 95.6 | Very high | 94.8 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73.3 | -40.5 | 174.7 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | W235 L236 S237 A242 | W235-V239 HydrophobicContact CD2-CG2 4.33Å; W235-V239 HydrophobicContact CZ2-CG2 3.91Å; W235-V239 WeakPolarHBondContact O-CG2 3.32Å; W235-V239 PolarHBondContact O-N 2.98Å; L236-V239 WeakPolarHBondContact O-CB 3.36Å; L236-V239 PolarHBondContact O-N 3.47Å; S237-V239 VanDerWaalsContact C-N 3.26Å; S237-V239 PolarHBondContact O-N 3.29Å; V239-A242 PolarHBondContact O-N 2.89Å |
| 240 | L | 95.3 | Very high | 94.7 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.1 | -40.8 | 177.6 | -61.7 | 179.5 | 0 | 0 | 0 | 111.7 | L236 S237 A242 V243 T255 A258 C259 | L236-L240 HydrophobicContact CD1-CD1 4.36Å; L236-L240 HydrophobicContact CD1-CG 4.24Å; L236-L240 HydrophobicContact CG-CD1 4.17Å; L236-L240 HydrophobicContact CG-CG 4.42Å; L236-L240 WeakPolarHBondContact O-CG 3.26Å; L236-L240 PolarHBondContact O-N 3.47Å; S237-L240 PolarHBondContact O-N 3.03Å; S237-L240 VanDerWaalsContact O-N 3.13Å; L240-A242 PolarHBondContact O-N 2.82Å; L240-V243 VanDerWaalsContact O-CB 3.31Å; L240-V243 WeakPolarHBondContact O-CB 3.47Å; L240-V243 WeakPolarHBondContact O-CG2 3.2Å; L240-V243 PolarHBondContact O-N 3.31Å; L240-T255 HydrophobicContact CD2-CG2 4.31Å; L240-A258 HydrophobicContact CD2-CB 3.91Å; L240-C259 VanDerWaalsContact CD2-SG 3.59Å |
| 241 | D | 94.9 | Very high | 94.8 | Very high | 138 Ų | 138 | 46.8 Ų | 46.8 | 74% | 0.738 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64 | -21.2 | 176.3 | -65.7 | -22.9 | 0 | 0 | 0 | 112.7 | S237 V243 | S237-D241 WeakPolarHBondContact O-CB 3.27Å; S237-D241 PolarHBondContact O-N 3.5Å; D241-V243 VanDerWaalsContact C-N 3.32Å |
| 242 | A | 95.4 | Very high | 94.8 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -6.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S238 V239 L240 | S238-A242 PolarHBondContact O-N 3.49Å; V239-A242 PolarHBondContact O-N 2.89Å; L240-A242 PolarHBondContact O-N 2.82Å |
| 243 | V | 95.6 | Very high | 94.8 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -74.1 | 129.4 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | L240 D241 D245 K254 | L240-V243 VanDerWaalsContact O-CB 3.31Å; L240-V243 WeakPolarHBondContact O-CB 3.47Å; L240-V243 WeakPolarHBondContact O-CG2 3.2Å; L240-V243 PolarHBondContact O-N 3.31Å; D241-V243 VanDerWaalsContact C-N 3.32Å; V243-D245 PolarHBondContact O-N 2.64Å; V243-K254 HydrophobicContact CG1-CB 3.61Å; V243-K254 HydrophobicContact CG1-CD 4.15Å |
| 244 | P | 93.9 | Very high | 94.8 | Very high | 60 Ų | 60 | 52.9 Ų | 52.9 | 39% | 0.39 | 31% | 0.308 | S | S | . | . | trans | -62.1 | 130 | 178.6 | -22.5 | 32.8 | 0 | 0 | 0 | 112.4 | H251 | P244-H251 WeakPolarHBondContact O-CB 2.95Å; P244-H251 PolarHBondContact O-CD2 2.79Å; P244-H251 VanDerWaalsContact O-CD2 3.31Å | ||
| 245 | D | 93.4 | Very high | 94.9 | Very high | 66 Ų | 66 | 51.2 Ų | 51.2 | 35% | 0.353 | 29% | 0.29 | S | S | . | . | trans | -97.6 | 12.2 | -178.3 | -161.1 | 14.7 | 0 | 0 | 0 | 113.3 | V243 H251 K313 R317 | V243-D245 PolarHBondContact O-N 2.64Å; D245-H251 IonicContact OD1-CD2 3.52Å; D245-H251 IonicContact OD1-CG 3.41Å; D245-H251 IonicContact OD1-ND1 3.45Å; D245-K313 IonicContact OD2-NZ 3.08Å; D245-R317 PolarHBondContact O-NH2 2.89Å; D245-R317 IonicContact OD1-CZ 3.56Å; D245-R317 IonicContact OD1-NH1 3.78Å; D245-R317 PolarHBondContact OD1-NH1 2.86Å; D245-R317 IonicContact OD1-NH2 3.38Å; D245-R317 IonicContact OD2-NH1 2.75Å | ||
| 246 | D | 91.8 | Very high | 94.9 | Very high | 153 Ų | 153 | 50.4 Ų | 50.4 | 82% | 0.818 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -67.9 | -48.6 | -175.1 | -60.8 | -50.9 | 0 | 0 | 0 | 112.4 | ||
| 247 | D | 93.8 | Very high | 94.8 | Very high | 70 Ų | 70 | 54.6 Ų | 54.6 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -112.7 | 120.2 | 179.9 | 177.6 | -85.7 | 0 | 0 | 0 | 109.6 | Y249 I250 H251 | D247-Y249 VanDerWaalsContact C-N 3.29Å; D247-Y249 PolarHBondContact O-N 3.28Å; D247-Y249 WeakPolarHBondContact OD1-CA 3.49Å; D247-Y249 WeakPolarHBondContact OD1-CB 3.29Å; D247-Y249 PolarHBondContact OD1-N 2.81Å; D247-I250 HydrophobicContact CB-CB 4.1Å; D247-I250 HydrophobicContact CB-CD1 3.96Å; D247-I250 HydrophobicContact CB-CG1 4.16Å; D247-I250 PolarHBondContact O-N 3.27Å; D247-I250 WeakPolarHBondContact OD1-CG1 3.44Å; D247-I250 PolarHBondContact OD1-N 2.89Å; D247-H251 WeakPolarHBondContact O-CB 3.45Å; D247-H251 PolarHBondContact O-N 3.04Å |
| 248 | P | 93.8 | Very high | 94.8 | Very high | 18 Ų | 18 | 53.5 Ų | 53.5 | 12% | 0.117 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58 | -38.1 | -176 | -23.7 | 31.4 | 0 | 0 | 0 | 113.5 | I252 D314 R317 V319 | P248-I252 WeakPolarHBondContact O-CG2 3.13Å; P248-I252 PolarHBondContact O-N 2.89Å; P248-D314 HydrophobicContact CB-CB 4.37Å; P248-R317 HydrophobicContact CB-CB 4.11Å; P248-R317 HydrophobicContact CG-CB 3.76Å; P248-V319 HydrophobicContact CB-CG1 4.33Å |
| 249 | Y | 93.6 | Very high | 94.7 | Very high | 33 Ų | 33 | 50.9 Ų | 50.9 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.8 | -43.8 | -178.8 | 179.9 | -89 | 0 | 0 | 0 | 111.4 | D247 I252 T253 V319 R322 L326 | D247-Y249 VanDerWaalsContact C-N 3.29Å; D247-Y249 PolarHBondContact O-N 3.28Å; D247-Y249 WeakPolarHBondContact OD1-CA 3.49Å; D247-Y249 WeakPolarHBondContact OD1-CB 3.29Å; D247-Y249 PolarHBondContact OD1-N 2.81Å; Y249-I252 WeakPolarHBondContact O-CG2 3.17Å; Y249-T253 VanDerWaalsContact O-CB 3.22Å; Y249-T253 WeakPolarHBondContact O-CB 3.18Å; Y249-T253 PolarHBondContact O-N 3.49Å; Y249-T253 PolarHBondContact O-OG1 3.47Å; Y249-V319 HydrophobicContact CD2-CB 4.2Å; Y249-V319 WeakPolarHBondContact CD2-O 3.42Å; Y249-R322 HydrophobicContact CE2-CB 3.76Å; Y249-L326 HydrophobicContact CE2-CB 4.46Å |
| 250 | I | 93.3 | Very high | 94.7 | Very high | 80 Ų | 80 | 51.7 Ų | 51.7 | 41% | 0.41 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 176.2 | -65.3 | 172.8 | 0 | 0 | 0 | 110.3 | D247 K254 | D247-I250 HydrophobicContact CB-CB 4.1Å; D247-I250 HydrophobicContact CB-CD1 3.96Å; D247-I250 HydrophobicContact CB-CG1 4.16Å; D247-I250 PolarHBondContact O-N 3.27Å; D247-I250 WeakPolarHBondContact OD1-CG1 3.44Å; D247-I250 PolarHBondContact OD1-N 2.89Å; I250-K254 HydrophobicContact CG2-CD 4.02Å; I250-K254 HydrophobicContact CG2-CG 4.49Å; I250-K254 WeakPolarHBondContact O-CB 3.32Å; I250-K254 WeakPolarHBondContact O-CG 3.34Å; I250-K254 PolarHBondContact O-N 3.31Å |
| 251 | H | 96.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 52 Ų | 52 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.4 | -53.4 | 178.4 | 178.2 | -100.6 | 0 | 0 | 0 | 110.8 | P244 D245 D247 T253 K254 T255 D314 | P244-H251 WeakPolarHBondContact O-CB 2.95Å; P244-H251 PolarHBondContact O-CD2 2.79Å; P244-H251 VanDerWaalsContact O-CD2 3.31Å; D245-H251 IonicContact OD1-CD2 3.52Å; D245-H251 IonicContact OD1-CG 3.41Å; D245-H251 IonicContact OD1-ND1 3.45Å; D247-H251 WeakPolarHBondContact O-CB 3.45Å; D247-H251 PolarHBondContact O-N 3.04Å; H251-T253 PolarHBondContact O-N 3.19Å; H251-K254 PolarHBondContact O-N 2.9Å; H251-T255 VanDerWaalsContact O-CB 3.29Å; H251-T255 WeakPolarHBondContact O-CB 3.28Å; H251-T255 PolarHBondContact O-N 3.4Å; H251-T255 PolarHBondContact O-OG1 2.98Å; H251-D314 IonicContact CE1-OD2 3.65Å; H251-D314 PolarHBondContact CE1-OD2 2.8Å; H251-D314 IonicContact CG-OD2 3.39Å; H251-D314 IonicContact ND1-OD1 2.98Å; H251-D314 IonicContact ND1-OD2 2.64Å; H251-D314 PolarHBondContact ND1-OD2 3.48Å |
| 252 | I | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.2 | -39.3 | -177.8 | -167.3 | 56.5 | 0 | 0 | 0 | 112.5 | P248 Y249 K254 T255 V256 F307 L311 D314 V319 L326 | P248-I252 WeakPolarHBondContact O-CG2 3.13Å; P248-I252 PolarHBondContact O-N 2.89Å; Y249-I252 WeakPolarHBondContact O-CG2 3.17Å; I252-K254 PolarHBondContact O-N 3.41Å; I252-T255 PolarHBondContact O-N 3.03Å; I252-V256 HydrophobicContact CD1-CG2 4.42Å; I252-V256 HydrophobicContact CG1-CG2 4.34Å; I252-V256 VanDerWaalsContact O-CG2 3.23Å; I252-V256 WeakPolarHBondContact O-CG2 3.45Å; I252-V256 PolarHBondContact O-N 3.04Å; I252-F307 HydrophobicContact CD1-CE2 4.31Å; I252-L311 HydrophobicContact CD1-CB 3.98Å; I252-L311 HydrophobicContact CD1-CD1 3.82Å; I252-L311 HydrophobicContact CG1-CD1 3.61Å; I252-D314 HydrophobicContact CB-CB 4.08Å; I252-V319 HydrophobicContact CG2-CG1 4.25Å; I252-L326 HydrophobicContact CG1-CD1 4.16Å; I252-L326 HydrophobicContact CG1-CD2 4.44Å; I252-L326 HydrophobicContact CG2-CD1 3.71Å; I252-L326 HydrophobicContact CG2-CD2 3.64Å; I252-L326 HydrophobicContact CG2-CG 4.34Å |
| 253 | T | 94.9 | Very high | 94.5 | Very high | 34 Ų | 34 | 43.8 Ų | 43.8 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 177.7 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | Y249 H251 E257 | Y249-T253 VanDerWaalsContact O-CB 3.22Å; Y249-T253 WeakPolarHBondContact O-CB 3.18Å; Y249-T253 PolarHBondContact O-N 3.49Å; Y249-T253 PolarHBondContact O-OG1 3.47Å; H251-T253 PolarHBondContact O-N 3.19Å; T253-E257 PolarHBondContact O-N 2.71Å |
| 254 | K | 95.8 | Very high | 94.3 | Very high | 102 Ų | 102 | 46.3 Ų | 46.3 | 44% | 0.443 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.9 | -38.5 | 176.2 | -74.6 | -178.6 | 178.3 | 177.6 | 0 | 111.8 | V243 I250 H251 I252 E257 A258 | V243-K254 HydrophobicContact CG1-CB 3.61Å; V243-K254 HydrophobicContact CG1-CD 4.15Å; I250-K254 HydrophobicContact CG2-CD 4.02Å; I250-K254 HydrophobicContact CG2-CG 4.49Å; I250-K254 WeakPolarHBondContact O-CB 3.32Å; I250-K254 WeakPolarHBondContact O-CG 3.34Å; I250-K254 PolarHBondContact O-N 3.31Å; H251-K254 PolarHBondContact O-N 2.9Å; I252-K254 PolarHBondContact O-N 3.41Å; K254-E257 PolarHBondContact O-N 2.8Å; K254-A258 VanDerWaalsContact O-CB 3.27Å; K254-A258 WeakPolarHBondContact O-CB 3.4Å; K254-A258 PolarHBondContact O-N 3.38Å |
| 255 | T | 96.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 176.6 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | L240 H251 I252 E257 A258 C259 F307 T310 | L240-T255 HydrophobicContact CD2-CG2 4.31Å; H251-T255 VanDerWaalsContact O-CB 3.29Å; H251-T255 WeakPolarHBondContact O-CB 3.28Å; H251-T255 PolarHBondContact O-N 3.4Å; H251-T255 PolarHBondContact O-OG1 2.98Å; I252-T255 PolarHBondContact O-N 3.03Å; T255-E257 PolarHBondContact O-N 2.88Å; T255-A258 PolarHBondContact O-N 2.84Å; T255-C259 WeakPolarHBondContact O-CB 3.13Å; T255-C259 PolarHBondContact O-N 2.83Å; T255-C259 PolarHBondContact O-SG 3.35Å; T255-F307 HydrophobicContact CG2-CD2 4.34Å; T255-T310 HydrophobicContact CG2-CG2 4.32Å |
| 256 | V | 95.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.5 | -50 | 175.1 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | I252 R260 F307 L326 Q329 F333 | I252-V256 HydrophobicContact CD1-CG2 4.42Å; I252-V256 HydrophobicContact CG1-CG2 4.34Å; I252-V256 VanDerWaalsContact O-CG2 3.23Å; I252-V256 WeakPolarHBondContact O-CG2 3.45Å; I252-V256 PolarHBondContact O-N 3.04Å; V256-R260 WeakPolarHBondContact O-CB 3.38Å; V256-R260 PolarHBondContact O-N 2.98Å; V256-F307 HydrophobicContact CB-CE2 4.45Å; V256-F307 HydrophobicContact CG2-CE2 3.65Å; V256-F307 HydrophobicContact CG2-CZ 3.76Å; V256-L326 HydrophobicContact CG2-CD1 4.45Å; V256-Q329 HydrophobicContact CG1-CB 4.24Å; V256-F333 HydrophobicContact CG1-CB 4.22Å; V256-F333 HydrophobicContact CG1-CD1 4.26Å |
| 257 | E | 94 | Very high | 94.3 | Very high | 92 Ų | 92 | 35.9 Ų | 35.9 | 43% | 0.43 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -67.3 | -44.7 | -178.1 | -176.3 | 58.6 | -167.9 | 0 | 0 | 112.2 | T253 K254 T255 R260 V261 | T253-E257 PolarHBondContact O-N 2.71Å; K254-E257 PolarHBondContact O-N 2.8Å; T255-E257 PolarHBondContact O-N 2.88Å; E257-R260 VanDerWaalsContact CD-NH2 3.27Å; E257-R260 PolarHBondContact O-N 3.39Å; E257-R260 IonicContact OE1-CZ 2.77Å; E257-R260 IonicContact OE1-NH2 3.79Å; E257-R260 PolarHBondContact OE1-NH2 3.36Å; E257-R260 IonicContact OE2-CZ 2.75Å; E257-R260 IonicContact OE2-NE 3.27Å; E257-R260 PolarHBondContact OE2-NE 2.81Å; E257-R260 IonicContact OE2-NH2 2.92Å; E257-R260 PolarHBondContact OE2-NH2 3.45Å; E257-V261 WeakPolarHBondContact O-CG2 3.42Å; E257-V261 PolarHBondContact O-N 2.79Å; E257-V261 WeakPolarHBondContact OE1-CG2 3.11Å |
| 258 | A | 94.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 13% | 0.132 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L240 K254 T255 H262 | L240-A258 HydrophobicContact CD2-CB 3.91Å; K254-A258 VanDerWaalsContact O-CB 3.27Å; K254-A258 WeakPolarHBondContact O-CB 3.4Å; K254-A258 PolarHBondContact O-N 3.38Å; T255-A258 PolarHBondContact O-N 2.84Å; A258-H262 VanDerWaalsContact O-CB 3.26Å; A258-H262 WeakPolarHBondContact O-CB 3.26Å; A258-H262 PolarHBondContact O-CD2 3.34Å; A258-H262 VanDerWaalsContact O-CD2 3.22Å; A258-H262 PolarHBondContact O-N 2.93Å |
| 259 | C | 95.3 | Very high | 94.1 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.4 | -51.2 | 174.9 | -72.8 | 0 | 0 | 0 | 0 | 110.6 | L240 T255 V261 L263 F307 F333 | L240-C259 VanDerWaalsContact CD2-SG 3.59Å; T255-C259 WeakPolarHBondContact O-CB 3.13Å; T255-C259 PolarHBondContact O-N 2.83Å; T255-C259 PolarHBondContact O-SG 3.35Å; C259-V261 PolarHBondContact O-N 2.88Å; C259-L263 WeakPolarHBondContact O-CA 3.33Å; C259-L263 WeakPolarHBondContact O-CB 3.46Å; C259-L263 PolarHBondContact O-N 2.84Å; C259-F307 HydrophobicContact CB-CD2 4.48Å; C259-F333 HydrophobicContact CB-CE1 3.99Å; C259-F333 HydrophobicContact CB-CZ 3.86Å |
| 260 | R | 94.1 | Very high | 94.1 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 21% | 0.208 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.3 | -48.6 | -177 | -175.7 | -175.2 | 74.1 | 78 | 2.3 | 112.1 | V256 E257 F264 F333 | V256-R260 WeakPolarHBondContact O-CB 3.38Å; V256-R260 PolarHBondContact O-N 2.98Å; E257-R260 VanDerWaalsContact CD-NH2 3.27Å; E257-R260 PolarHBondContact O-N 3.39Å; E257-R260 IonicContact OE1-CZ 2.77Å; E257-R260 IonicContact OE1-NH2 3.79Å; E257-R260 PolarHBondContact OE1-NH2 3.36Å; E257-R260 IonicContact OE2-CZ 2.75Å; E257-R260 IonicContact OE2-NE 3.27Å; E257-R260 PolarHBondContact OE2-NE 2.81Å; E257-R260 IonicContact OE2-NH2 2.92Å; E257-R260 PolarHBondContact OE2-NH2 3.45Å; R260-F264 WeakPolarHBondContact O-CB 3.37Å; R260-F264 PolarHBondContact O-N 3.22Å; R260-F333 HydrophobicContact CB-CB 4.4Å; R260-F333 HydrophobicContact CB-CD2 3.59Å; R260-F333 HydrophobicContact CB-CE2 4.03Å; R260-F333 HydrophobicContact CB-CG 3.99Å; R260-F333 HydrophobicContact CG-CB 4.32Å; R260-F333 HydrophobicContact CG-CD2 3.69Å; R260-F333 HydrophobicContact CG-CE2 4.42Å; R260-F333 HydrophobicContact CG-CG 4.23Å |
| 261 | V | 93.1 | Very high | 93.9 | Very high | 48 Ų | 48 | 32.4 Ų | 32.4 | 29% | 0.291 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -70.7 | -56.7 | -178.6 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | E257 C259 F264 D265 | E257-V261 WeakPolarHBondContact O-CG2 3.42Å; E257-V261 PolarHBondContact O-N 2.79Å; E257-V261 WeakPolarHBondContact OE1-CG2 3.11Å; C259-V261 PolarHBondContact O-N 2.88Å; V261-F264 PolarHBondContact O-N 2.98Å; V261-D265 PolarHBondContact O-N 3.18Å |
| 262 | H | 94.3 | Very high | 93.6 | Very high | 39 Ų | 39 | 33.8 Ų | 33.8 | 18% | 0.181 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -75.2 | -34.5 | -169.3 | -62.3 | -41.3 | 0 | 0 | 0 | 113.2 | W235 L236 A258 F264 D265 I266 | W235-H262 HydrophobicContact CH2-CB 4.09Å; W235-H262 AromaticContact CH2-CG 3.74Å; W235-H262 AromaticContact CH2-ND1 3.56Å; W235-H262 HydrophobicContact CZ3-CB 3.94Å; L236-H262 HydrophobicContact CD1-CB 3.71Å; A258-H262 VanDerWaalsContact O-CB 3.26Å; A258-H262 WeakPolarHBondContact O-CB 3.26Å; A258-H262 PolarHBondContact O-CD2 3.34Å; A258-H262 VanDerWaalsContact O-CD2 3.22Å; A258-H262 PolarHBondContact O-N 2.93Å; H262-F264 VanDerWaalsContact C-N 3.34Å; H262-D265 PolarHBondContact O-N 3.17Å; H262-I266 WeakPolarHBondContact O-CD1 3.33Å; H262-I266 WeakPolarHBondContact O-CG1 3.31Å; H262-I266 PolarHBondContact O-N 3.49Å |
| 263 | L | 94 | Very high | 93.4 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.4 | -37.4 | 175.1 | -172 | 62.8 | 0 | 0 | 0 | 110.6 | L236 C259 I266 I267 W299 R303 F337 | L236-L263 HydrophobicContact CD2-CB 4.43Å; L236-L263 HydrophobicContact CD2-CD1 4.06Å; C259-L263 WeakPolarHBondContact O-CA 3.33Å; C259-L263 WeakPolarHBondContact O-CB 3.46Å; C259-L263 PolarHBondContact O-N 2.84Å; L263-I266 PolarHBondContact O-N 2.89Å; L263-I267 HydrophobicContact CG-CD1 4.04Å; L263-I267 WeakPolarHBondContact O-CB 3.45Å; L263-I267 WeakPolarHBondContact O-CD1 3.35Å; L263-I267 VanDerWaalsContact O-CG1 3.23Å; L263-I267 WeakPolarHBondContact O-CG1 3.47Å; L263-I267 PolarHBondContact O-N 3.2Å; L263-W299 HydrophobicContact CD1-CH2 3.41Å; L263-W299 VanDerWaalsContact CD1-CH2 3.41Å; L263-W299 HydrophobicContact CD1-CZ2 4.48Å; L263-W299 HydrophobicContact CD1-CZ3 3.48Å; L263-W299 VanDerWaalsContact CD1-CZ3 3.48Å; L263-R303 HydrophobicContact CD1-CB 3.96Å; L263-R303 HydrophobicContact CD1-CG 3.95Å; L263-R303 HydrophobicContact CD2-CB 4.07Å; L263-F337 HydrophobicContact CB-CE1 4.24Å; L263-F337 HydrophobicContact CB-CZ 3.78Å; L263-F337 HydrophobicContact CD2-CE1 3.47Å; L263-F337 VanDerWaalsContact CD2-CE1 3.47Å; L263-F337 HydrophobicContact CD2-CZ 3.82Å; L263-F337 HydrophobicContact CG-CE1 3.64Å; L263-F337 HydrophobicContact CG-CZ 3.73Å |
| 264 | F | 91.9 | Very high | 93.1 | Very high | 72 Ų | 72 | 33 Ų | 33 | 32% | 0.316 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64 | -42.2 | 174.3 | -174.2 | -90.5 | 0 | 0 | 0 | 111.8 | R260 V261 H262 I267 T268 F337 V340 | R260-F264 WeakPolarHBondContact O-CB 3.37Å; R260-F264 PolarHBondContact O-N 3.22Å; V261-F264 PolarHBondContact O-N 2.98Å; H262-F264 VanDerWaalsContact C-N 3.34Å; F264-I267 PolarHBondContact O-N 2.81Å; F264-T268 WeakPolarHBondContact CE1-OG1 3.42Å; F264-T268 WeakPolarHBondContact O-CB 3.42Å; F264-T268 PolarHBondContact O-N 3.4Å; F264-T268 PolarHBondContact O-OG1 2.84Å; F264-F337 HydrophobicContact CB-CE2 4Å; F264-F337 HydrophobicContact CB-CZ 4.19Å; F264-F337 HydrophobicContact CD2-CE2 4.3Å; F264-V340 HydrophobicContact CD2-CG2 4.39Å; F264-V340 HydrophobicContact CE2-CG2 4.14Å |
| 265 | D | 92.4 | Very high | 91.9 | Very high | 58 Ų | 58 | 32.4 Ų | 32.4 | 31% | 0.31 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.4 | -47.2 | 174.6 | -73.3 | -20.2 | 0 | 0 | 0 | 111.3 | V261 H262 I267 T268 Q269 | V261-D265 PolarHBondContact O-N 3.18Å; H262-D265 PolarHBondContact O-N 3.17Å; D265-I267 VanDerWaalsContact C-N 3.33Å; D265-I267 PolarHBondContact O-N 3.21Å; D265-T268 PolarHBondContact O-N 2.96Å; D265-Q269 WeakPolarHBondContact O-CB 3.44Å; D265-Q269 WeakPolarHBondContact O-CG 3.49Å; D265-Q269 PolarHBondContact O-N 3.37Å |
| 266 | I | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 179.8 | -66.1 | 164.7 | 0 | 0 | 0 | 111.1 | F228 R232 W235 L236 H262 L263 Q269 Y270 W299 | F228-I266 HydrophobicContact CE1-CG2 4.36Å; R232-I266 HydrophobicContact CB-CB 4.48Å; R232-I266 HydrophobicContact CB-CD1 3.94Å; R232-I266 HydrophobicContact CB-CG1 3.91Å; R232-I266 HydrophobicContact CB-CG2 3.73Å; R232-I266 HydrophobicContact CG-CG1 4.44Å; R232-I266 HydrophobicContact CG-CG2 4.19Å; W235-I266 HydrophobicContact CE3-CD1 4.29Å; W235-I266 HydrophobicContact CZ3-CD1 4.3Å; L236-I266 HydrophobicContact CB-CD1 4.03Å; L236-I266 HydrophobicContact CD2-CD1 4.32Å; H262-I266 WeakPolarHBondContact O-CD1 3.33Å; H262-I266 WeakPolarHBondContact O-CG1 3.31Å; H262-I266 PolarHBondContact O-N 3.49Å; L263-I266 PolarHBondContact O-N 2.89Å; I266-Q269 PolarHBondContact O-N 3.5Å; I266-Y270 VanDerWaalsContact O-CB 3.32Å; I266-Y270 WeakPolarHBondContact O-CB 3.39Å; I266-Y270 PolarHBondContact O-N 3.39Å; I266-W299 HydrophobicContact CB-CH2 4.27Å; I266-W299 HydrophobicContact CD1-CH2 4.32Å; I266-W299 HydrophobicContact CG2-CH2 3.54Å; I266-W299 HydrophobicContact CG2-CZ2 4.34Å; I266-W299 HydrophobicContact CG2-CZ3 3.98Å |
| 267 | I | 92.1 | Very high | 88 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.3 | -48.3 | 175.6 | -79.3 | 166 | 0 | 0 | 0 | 111.1 | L263 F264 D265 Q269 Y270 R271 F296 V300 F337 V340 | L263-I267 HydrophobicContact CG-CD1 4.04Å; L263-I267 WeakPolarHBondContact O-CB 3.45Å; L263-I267 WeakPolarHBondContact O-CD1 3.35Å; L263-I267 VanDerWaalsContact O-CG1 3.23Å; L263-I267 WeakPolarHBondContact O-CG1 3.47Å; L263-I267 PolarHBondContact O-N 3.2Å; F264-I267 PolarHBondContact O-N 2.81Å; D265-I267 VanDerWaalsContact C-N 3.33Å; D265-I267 PolarHBondContact O-N 3.21Å; I267-Q269 VanDerWaalsContact C-N 3.31Å; I267-Q269 PolarHBondContact O-N 3.43Å; I267-Y270 PolarHBondContact O-N 3.43Å; I267-R271 WeakPolarHBondContact O-CG 3.37Å; I267-R271 PolarHBondContact O-N 3.42Å; I267-F296 HydrophobicContact CB-CZ 4.35Å; I267-F296 HydrophobicContact CG1-CE2 4.03Å; I267-F296 HydrophobicContact CG1-CZ 3.96Å; I267-F296 HydrophobicContact CG2-CZ 4.08Å; I267-V300 HydrophobicContact CD1-CG1 4.38Å; I267-V300 HydrophobicContact CD1-CG2 4.14Å; I267-V300 HydrophobicContact CG1-CG2 4.07Å; I267-F337 HydrophobicContact CD1-CD1 4.03Å; I267-F337 HydrophobicContact CD1-CE1 3.3Å; I267-F337 HydrophobicContact CD1-CZ 3.87Å; I267-V340 HydrophobicContact CB-CG1 4.48Å; I267-V340 HydrophobicContact CD1-CG1 4.22Å; I267-V340 HydrophobicContact CG2-CB 4.24Å; I267-V340 HydrophobicContact CG2-CG1 3.27Å; I267-V340 HydrophobicContact CG2-CG2 3.87Å |
| 268 | T | 90.5 | Very high | 85.8 | Confident | 59 Ų | 59 | 39.5 Ų | 39.5 | 36% | 0.362 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.1 | -41.4 | -179.9 | -57.4 | 0 | 0 | 0 | 0 | 110.3 | F264 D265 R271 A272 | F264-T268 WeakPolarHBondContact CE1-OG1 3.42Å; F264-T268 WeakPolarHBondContact O-CB 3.42Å; F264-T268 PolarHBondContact O-N 3.4Å; F264-T268 PolarHBondContact O-OG1 2.84Å; D265-T268 PolarHBondContact O-N 2.96Å; T268-R271 PolarHBondContact O-N 3Å; T268-A272 WeakPolarHBondContact O-CB 3.45Å; T268-A272 PolarHBondContact O-N 3.39Å |
| 269 | Q | 93.3 | Very high | 83.7 | Confident | 9 Ų | 9 | 45 Ų | 45 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 175 | -70.8 | 167.8 | 3 | 0 | 0 | 111.9 | A201 L203 F228 D265 I266 I267 A272 I273 | A201-Q269 PolarHBondContact O-NE2 3.35Å; L203-Q269 HydrophobicContact CB-CG 4.23Å; L203-Q269 HydrophobicContact CD1-CB 4.34Å; L203-Q269 HydrophobicContact CD1-CG 4.19Å; F228-Q269 HydrophobicContact CZ-CB 3.83Å; D265-Q269 WeakPolarHBondContact O-CB 3.44Å; D265-Q269 WeakPolarHBondContact O-CG 3.49Å; D265-Q269 PolarHBondContact O-N 3.37Å; I266-Q269 PolarHBondContact O-N 3.5Å; I267-Q269 VanDerWaalsContact C-N 3.31Å; I267-Q269 PolarHBondContact O-N 3.43Å; Q269-A272 PolarHBondContact O-N 2.99Å; Q269-I273 HydrophobicContact CB-CD1 4.49Å; Q269-I273 WeakPolarHBondContact O-CB 3.36Å; Q269-I273 VanDerWaalsContact O-CD1 3.26Å; Q269-I273 WeakPolarHBondContact O-CD1 3.31Å; Q269-I273 WeakPolarHBondContact O-CG1 3.39Å; Q269-I273 PolarHBondContact O-N 3.37Å |
| 270 | Y | 92.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.1 | -50.4 | 178.6 | -179 | -86.2 | 0 | 0 | 0 | 111.3 | R225 F228 L229 I266 I267 A272 I273 F274 D276 F296 | R225-Y270 HydrophobicContact CB-CE2 4.04Å; R225-Y270 WeakPolarHBondContact CD-OH 3.38Å; R225-Y270 HydrophobicContact CG-CE2 3.96Å; R225-Y270 WeakPolarHBondContact CG-OH 3.5Å; R225-Y270 PolarHBondContact NE-OH 3.43Å; F228-Y270 AromaticContact CD1-CD2 3.86Å; F228-Y270 HydrophobicContact CD1-CD2 3.86Å; F228-Y270 HydrophobicContact CE1-CD2 4.14Å; L229-Y270 HydrophobicContact CD1-CD2 4.26Å; L229-Y270 HydrophobicContact CD1-CE2 3.91Å; L229-Y270 HydrophobicContact CD2-CD2 3.65Å; L229-Y270 HydrophobicContact CD2-CE2 4.17Å; L229-Y270 HydrophobicContact CD2-CG 4.31Å; L229-Y270 HydrophobicContact CG-CD2 3.93Å; L229-Y270 HydrophobicContact CG-CE2 3.99Å; I266-Y270 VanDerWaalsContact O-CB 3.32Å; I266-Y270 WeakPolarHBondContact O-CB 3.39Å; I266-Y270 PolarHBondContact O-N 3.39Å; I267-Y270 PolarHBondContact O-N 3.43Å; Y270-A272 VanDerWaalsContact C-N 3.34Å; Y270-A272 PolarHBondContact O-N 3.35Å; Y270-I273 PolarHBondContact O-N 3.01Å; Y270-I273 VanDerWaalsContact O-N 3.15Å; Y270-F274 HydrophobicContact CD1-CD2 4.46Å; Y270-F274 AromaticContact CD2-CD2 3.52Å; Y270-F274 HydrophobicContact CD2-CD2 3.52Å; Y270-F274 AromaticContact CD2-CE2 3.86Å; Y270-F274 HydrophobicContact CD2-CE2 3.86Å; Y270-F274 HydrophobicContact CE1-CB 4.31Å; Y270-F274 HydrophobicContact CE1-CD2 4.42Å; Y270-F274 AromaticContact CE2-CD2 3.49Å; Y270-F274 HydrophobicContact CE2-CD2 3.49Å; Y270-F274 VanDerWaalsContact CE2-CD2 3.49Å; Y270-F274 AromaticContact CE2-CE2 3.91Å; Y270-F274 HydrophobicContact CE2-CE2 3.91Å; Y270-F274 HydrophobicContact CE2-CG 4.22Å; Y270-F274 HydrophobicContact CG-CD2 4.03Å; Y270-F274 AromaticContact CZ-CD2 3.96Å; Y270-F274 WeakPolarHBondContact O-CD2 3.49Å; Y270-F274 PolarHBondContact O-N 2.87Å; Y270-D276 VanDerWaalsContact CE1-OD2 3.28Å; Y270-D276 WeakPolarHBondContact CE1-OD2 3.49Å; Y270-D276 PolarHBondContact OH-OD2 2.86Å; Y270-F296 HydrophobicContact CD1-CB 4.21Å; Y270-F296 HydrophobicContact CD1-CD1 4.47Å; Y270-F296 AromaticContact CD1-CD2 3.23Å; Y270-F296 HydrophobicContact CD1-CD2 3.23Å; Y270-F296 AromaticContact CD1-CE2 3.64Å; Y270-F296 HydrophobicContact CD1-CE2 3.64Å; Y270-F296 AromaticContact CD1-CG 3.71Å; Y270-F296 HydrophobicContact CD1-CG 3.71Å; Y270-F296 HydrophobicContact CD1-CZ 4.41Å; Y270-F296 HydrophobicContact CD2-CD2 4.17Å; Y270-F296 HydrophobicContact CE1-CB 3.49Å; Y270-F296 VanDerWaalsContact CE1-CB 3.49Å; Y270-F296 HydrophobicContact CE1-CD1 4.31Å; Y270-F296 AromaticContact CE1-CD2 3.46Å; Y270-F296 HydrophobicContact CE1-CD2 3.46Å; Y270-F296 VanDerWaalsContact CE1-CD2 3.46Å; Y270-F296 HydrophobicContact CE1-CE2 4.28Å; Y270-F296 AromaticContact CE1-CG 3.48Å; Y270-F296 HydrophobicContact CE1-CG 3.48Å; Y270-F296 VanDerWaalsContact CE1-CG 3.48Å; Y270-F296 HydrophobicContact CE2-CB 4.45Å; Y270-F296 HydrophobicContact CE2-CD2 4.35Å; Y270-F296 AromaticContact CG-CD2 3.64Å; Y270-F296 HydrophobicContact CG-CD2 3.64Å; Y270-F296 AromaticContact CG-CE2 3.96Å; Y270-F296 HydrophobicContact CG-CE2 3.96Å; Y270-F296 HydrophobicContact CG-CG 4.48Å |
| 271 | R | 89.6 | Confident | 79.1 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 179.1 | -73 | -172.7 | 174.8 | -176.8 | -4.5 | 112.5 | I267 T268 I273 S275 V340 | I267-R271 WeakPolarHBondContact O-CG 3.37Å; I267-R271 PolarHBondContact O-N 3.42Å; T268-R271 PolarHBondContact O-N 3Å; R271-I273 VanDerWaalsContact C-N 3.3Å; R271-I273 PolarHBondContact O-N 3.35Å; R271-S275 VanDerWaalsContact O-CA 3.3Å; R271-S275 WeakPolarHBondContact O-CA 3.46Å; R271-S275 PolarHBondContact O-N 2.94Å; R271-V340 VanDerWaalsContact NH2-CG1 3.27Å; R271-V340 PolarHBondContact NH2-O 3.32Å |
| 272 | A | 90.2 | Very high | 76.5 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.9 | -29.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L203 T268 Q269 Y270 | L203-A272 HydrophobicContact CD1-CB 3.77Å; L203-A272 HydrophobicContact CD2-CB 4.05Å; T268-A272 WeakPolarHBondContact O-CB 3.45Å; T268-A272 PolarHBondContact O-N 3.39Å; Q269-A272 PolarHBondContact O-N 2.99Å; Y270-A272 VanDerWaalsContact C-N 3.34Å; Y270-A272 PolarHBondContact O-N 3.35Å |
| 273 | I | 91.3 | Very high | 74.2 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.036 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -87.2 | -38.4 | -176.4 | -67.9 | 164.4 | 0 | 0 | 0 | 112.3 | L203 C206 L207 I210 R214 F228 Q269 Y270 R271 | L203-I273 HydrophobicContact CD1-CG1 4.47Å; C206-I273 HydrophobicContact CB-CD1 3.75Å; L207-I273 HydrophobicContact CD2-CB 4.45Å; L207-I273 HydrophobicContact CD2-CG1 3.69Å; L207-I273 HydrophobicContact CG-CG1 4.11Å; I210-I273 HydrophobicContact CB-CG2 4Å; I210-I273 HydrophobicContact CG1-CD1 4.34Å; I210-I273 HydrophobicContact CG1-CG2 4.1Å; I210-I273 HydrophobicContact CG2-CG2 3.58Å; R214-I273 PolarHBondContact NH2-O 2.98Å; F228-I273 HydrophobicContact CD2-CD1 4.24Å; F228-I273 HydrophobicContact CE2-CD1 3.6Å; F228-I273 HydrophobicContact CZ-CD1 3.92Å; Q269-I273 HydrophobicContact CB-CD1 4.49Å; Q269-I273 WeakPolarHBondContact O-CB 3.36Å; Q269-I273 VanDerWaalsContact O-CD1 3.26Å; Q269-I273 WeakPolarHBondContact O-CD1 3.31Å; Q269-I273 WeakPolarHBondContact O-CG1 3.39Å; Q269-I273 PolarHBondContact O-N 3.37Å; Y270-I273 PolarHBondContact O-N 3.01Å; Y270-I273 VanDerWaalsContact O-N 3.15Å; R271-I273 VanDerWaalsContact C-N 3.3Å; R271-I273 PolarHBondContact O-N 3.35Å |
| 274 | F | 88.6 | Confident | 71.9 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 5% | 0.048 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -110 | -7.5 | -171.1 | -62.6 | -71.8 | 0 | 0 | 0 | 114 | I210 E221 L224 R225 F228 Y270 D276 | I210-F274 HydrophobicContact CD1-CZ 4.39Å; I210-F274 HydrophobicContact CG2-CZ 4.4Å; E221-F274 VanDerWaalsContact OE1-CD1 3.28Å; E221-F274 WeakPolarHBondContact OE1-CD1 3.35Å; L224-F274 HydrophobicContact CB-CE1 4.19Å; L224-F274 HydrophobicContact CB-CZ 4.38Å; R225-F274 HydrophobicContact CB-CE1 4.48Å; R225-F274 HydrophobicContact CB-CZ 4.45Å; R225-F274 HydrophobicContact CG-CB 4.45Å; R225-F274 HydrophobicContact CG-CD1 3.46Å; R225-F274 VanDerWaalsContact CG-CD1 3.46Å; R225-F274 HydrophobicContact CG-CD2 4.04Å; R225-F274 HydrophobicContact CG-CE1 3.56Å; R225-F274 HydrophobicContact CG-CE2 4.12Å; R225-F274 HydrophobicContact CG-CG 3.72Å; R225-F274 HydrophobicContact CG-CZ 3.9Å; F228-F274 HydrophobicContact CB-CE2 4.04Å; F228-F274 HydrophobicContact CB-CZ 4.19Å; F228-F274 HydrophobicContact CD1-CE2 4.14Å; F228-F274 HydrophobicContact CG-CE2 4.01Å; Y270-F274 HydrophobicContact CD1-CD2 4.46Å; Y270-F274 AromaticContact CD2-CD2 3.52Å; Y270-F274 HydrophobicContact CD2-CD2 3.52Å; Y270-F274 AromaticContact CD2-CE2 3.86Å; Y270-F274 HydrophobicContact CD2-CE2 3.86Å; Y270-F274 HydrophobicContact CE1-CB 4.31Å; Y270-F274 HydrophobicContact CE1-CD2 4.42Å; Y270-F274 AromaticContact CE2-CD2 3.49Å; Y270-F274 HydrophobicContact CE2-CD2 3.49Å; Y270-F274 VanDerWaalsContact CE2-CD2 3.49Å; Y270-F274 AromaticContact CE2-CE2 3.91Å; Y270-F274 HydrophobicContact CE2-CE2 3.91Å; Y270-F274 HydrophobicContact CE2-CG 4.22Å; Y270-F274 HydrophobicContact CG-CD2 4.03Å; Y270-F274 AromaticContact CZ-CD2 3.96Å; Y270-F274 WeakPolarHBondContact O-CD2 3.49Å; Y270-F274 PolarHBondContact O-N 2.87Å; F274-D276 PolarHBondContact O-N 2.98Å |
| 275 | S | 71.3 | Confident | 70 | Confident | 89 Ų | 89 | 61.5 Ų | 61.5 | 62% | 0.622 | 38% | 0.383 | S | S | * | . | trans | 49.9 | 53.5 | 170.9 | -56 | 0 | 0 | 0 | 0 | 114.1 | R271 D277 | R271-S275 VanDerWaalsContact O-CA 3.3Å; R271-S275 WeakPolarHBondContact O-CA 3.46Å; R271-S275 PolarHBondContact O-N 2.94Å; S275-D277 PolarHBondContact O-N 2.7Å; S275-D277 VanDerWaalsContact O-N 3.1Å | ||
| 276 | D | 63.3 | Low | 68.1 | Low | 46 Ų | 46 | 63.6 Ų | 63.6 | 25% | 0.246 | 40% | 0.4 | C | S | . | . | trans | -76.7 | 17.2 | 172 | -68.1 | -10.6 | 0 | 0 | 0 | 112.3 | R225 Y270 F274 D278 | R225-D276 IonicContact NH2-OD1 3.77Å; R225-D276 PolarHBondContact NH2-OD1 3.28Å; Y270-D276 VanDerWaalsContact CE1-OD2 3.28Å; Y270-D276 WeakPolarHBondContact CE1-OD2 3.49Å; Y270-D276 PolarHBondContact OH-OD2 2.86Å; F274-D276 PolarHBondContact O-N 2.98Å; D276-D278 PolarHBondContact O-N 3.36Å | ||
| 277 | D | 47 | Very low | 66.2 | Low | 111 Ų | 111 | 69.9 Ų | 69.9 | 59% | 0.594 | 44% | 0.441 | S | S | * | . | trans | -83.9 | 75.7 | -175.9 | -72.2 | -36.8 | 0 | 0 | 0 | 110.9 | S275 | S275-D277 PolarHBondContact O-N 2.7Å; S275-D277 VanDerWaalsContact O-N 3.1Å | ||
| 278 | D | 47.5 | Very low | 64.3 | Low | 92 Ų | 92 | 72.1 Ų | 72.1 | 49% | 0.492 | 47% | 0.465 | S | S | . | . | trans | -160.8 | 92.5 | 131.8 | -156.2 | -9.4 | 0 | 0 | 0 | 112 | D276 L280 A281 | D276-D278 PolarHBondContact O-N 3.36Å; D278-L280 PolarHBondContact O-N 2.88Å; D278-L280 WeakPolarHBondContact OD1-CA 3.42Å; D278-L280 WeakPolarHBondContact OD1-CB 3.32Å; D278-L280 PolarHBondContact OD1-N 3.15Å; D278-A281 HydrophobicContact CB-CB 3.6Å; D278-A281 PolarHBondContact O-N 2.95Å; D278-A281 PolarHBondContact OD1-N 3.06Å; D278-A281 PolarHBondContact OD2-N 3.38Å | ||
| 279 | P | 51.3 | Low | 62.6 | Low | 131 Ų | 131 | 71.5 Ų | 71.5 | 85% | 0.851 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -7.9 | 170.7 | 25.9 | -31.4 | 0 | 0 | 0 | 113.5 | ||
| 280 | L | 46.2 | Very low | 60.9 | Low | 159 Ų | 159 | 77.7 Ų | 77.7 | 83% | 0.832 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -9.4 | 175.5 | -82.8 | 146.9 | 0 | 0 | 0 | 113.5 | D278 A282 | D278-L280 PolarHBondContact O-N 2.88Å; D278-L280 WeakPolarHBondContact OD1-CA 3.42Å; D278-L280 WeakPolarHBondContact OD1-CB 3.32Å; D278-L280 PolarHBondContact OD1-N 3.15Å; L280-A282 PolarHBondContact O-N 3.4Å; L280-A282 VanDerWaalsContact O-N 3.15Å |
| 281 | A | 45.3 | Very low | 59.5 | Low | 57 Ų | 57 | 79.7 Ų | 79.7 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -70.2 | 113 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | D278 | D278-A281 HydrophobicContact CB-CB 3.6Å; D278-A281 PolarHBondContact O-N 2.95Å; D278-A281 PolarHBondContact OD1-N 3.06Å; D278-A281 PolarHBondContact OD2-N 3.38Å |
| 282 | A | 39.9 | Very low | 58.6 | Low | 69 Ų | 69 | 79.5 Ų | 79.5 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | trans | -45.3 | 147.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L280 V284 | L280-A282 PolarHBondContact O-N 3.4Å; L280-A282 VanDerWaalsContact O-N 3.15Å; A282-V284 HydrophobicContact CB-CG2 4.11Å; A282-V284 PolarHBondContact O-N 3.39Å | ||
| 283 | P | 45.8 | Very low | 57.8 | Low | 104 Ų | 104 | 78.9 Ų | 78.9 | 68% | 0.675 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -69.9 | 79.7 | -179 | 30.6 | -33.7 | 0 | 0 | 0 | 109.3 | G285 | P283-G285 VanDerWaalsContact C-N 3.33Š|
| 284 | V | 44.8 | Very low | 57.4 | Low | 138 Ų | 138 | 81.2 Ų | 81.2 | 84% | 0.836 | 53% | 0.531 | S | S | * | . | trans | -106.7 | 33.2 | 173 | -164.4 | 0 | 0 | 0 | 0 | 108.8 | A282 | A282-V284 HydrophobicContact CB-CG2 4.11Å; A282-V284 PolarHBondContact O-N 3.39Å | ||
| 285 | G | 52.8 | Low | 57.4 | Low | 45 Ų | 45 | 83.2 Ų | 83.2 | 46% | 0.464 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -107.4 | 154.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111 | P283 | P283-G285 VanDerWaalsContact C-N 3.33Š|
| 286 | P | 52.7 | Low | 58.3 | Low | 103 Ų | 103 | 79.1 Ų | 79.1 | 67% | 0.669 | 51% | 0.513 | S | S | * | . | trans | -54.5 | 152.1 | 174.6 | 23 | -31.7 | 0 | 0 | 0 | 110.9 | G288 A289 | P286-G288 PolarHBondContact O-N 3.03Å; P286-A289 PolarHBondContact O-N 2.81Å | ||
| 287 | P | 53.6 | Low | 59.5 | Low | 131 Ų | 131 | 81.8 Ų | 81.8 | 85% | 0.851 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -2.3 | -171 | 19 | -31.2 | 0 | 0 | 0 | 116.6 | ||
| 288 | G | 53.3 | Low | 61.6 | Low | 49 Ų | 49 | 78.5 Ų | 78.5 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -21.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P286 Q290 G291 | P286-G288 PolarHBondContact O-N 3.03Å; G288-Q290 VanDerWaalsContact C-N 3.29Å; G288-Q290 PolarHBondContact O-N 3.27Å; G288-G291 PolarHBondContact O-N 2.81Å |
| 289 | A | 53.3 | Low | 63.8 | Low | 46 Ų | 46 | 75.3 Ų | 75.3 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.2 | -27.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P286 G291 E292 | P286-A289 PolarHBondContact O-N 2.81Å; A289-G291 VanDerWaalsContact C-N 3.32Å; A289-G291 PolarHBondContact O-N 3.19Å; A289-E292 PolarHBondContact O-N 3.38Å |
| 290 | Q | 58.3 | Low | 65.8 | Low | 139 Ų | 139 | 69.3 Ų | 69.3 | 65% | 0.65 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.9 | -31.7 | 176.2 | -68.5 | 178.3 | -3.2 | 0 | 0 | 112.7 | G288 E292 A294 | G288-Q290 VanDerWaalsContact C-N 3.29Å; G288-Q290 PolarHBondContact O-N 3.27Å; Q290-E292 VanDerWaalsContact C-N 3.33Å; Q290-A294 PolarHBondContact O-N 2.89Å |
| 291 | G | 62.7 | Low | 68 | Low | 41 Ų | 41 | 64.7 Ų | 64.7 | 42% | 0.423 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.5 | -30.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | G288 A289 A294 I295 | G288-G291 PolarHBondContact O-N 2.81Å; A289-G291 VanDerWaalsContact C-N 3.32Å; A289-G291 PolarHBondContact O-N 3.19Å; G291-A294 PolarHBondContact O-N 3.37Å; G291-I295 WeakPolarHBondContact O-CG1 3.37Å; G291-I295 PolarHBondContact O-N 3.27Å |
| 292 | E | 71.3 | Confident | 70.4 | Confident | 58 Ų | 58 | 66.7 Ų | 66.7 | 27% | 0.271 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -73.1 | -41.4 | -176.3 | -61.5 | -175.7 | 158.8 | 0 | 0 | 112.2 | R225 A289 Q290 A294 I295 | R225-E292 IonicContact CZ-OE2 3.82Å; R225-E292 IonicContact NH1-OE1 3.98Å; R225-E292 IonicContact NH1-OE2 3.57Å; R225-E292 PolarHBondContact NH1-OE2 3.4Å; R225-E292 IonicContact NH2-OE2 3.8Å; R225-E292 PolarHBondContact NH2-OE2 3.39Å; A289-E292 PolarHBondContact O-N 3.38Å; Q290-E292 VanDerWaalsContact C-N 3.33Å; E292-A294 VanDerWaalsContact C-N 3.32Å; E292-I295 WeakPolarHBondContact O-CB 3.44Å; E292-I295 PolarHBondContact O-N 3.03Å |
| 293 | A | 72.9 | Confident | 73 | Confident | 30 Ų | 30 | 65 Ų | 65 | 25% | 0.248 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.4 | -33.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I295 F296 H297 | A293-I295 VanDerWaalsContact C-N 3.28Å; A293-I295 PolarHBondContact O-N 3.05Å; A293-F296 PolarHBondContact O-N 3.36Å; A293-H297 PolarHBondContact O-CD2 2.83Å; A293-H297 PolarHBondContact O-N 3.09Å |
| 294 | A | 83.6 | Confident | 75.3 | Confident | 56 Ų | 56 | 60.6 Ų | 60.6 | 46% | 0.463 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.8 | -31.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q290 G291 E292 F296 H297 G298 | Q290-A294 PolarHBondContact O-N 2.89Å; G291-A294 PolarHBondContact O-N 3.37Å; E292-A294 VanDerWaalsContact C-N 3.32Å; A294-F296 VanDerWaalsContact C-N 3.32Å; A294-F296 PolarHBondContact O-N 3.05Å; A294-H297 PolarHBondContact O-N 3.06Å; A294-G298 PolarHBondContact O-N 3.13Å |
| 295 | I | 89.1 | Confident | 77.7 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 27% | 0.272 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 175.4 | -64.9 | 165.3 | 0 | 0 | 0 | 110.3 | A222 V226 L229 G291 E292 A293 W299 | A222-I295 HydrophobicContact CB-CD1 4.46Å; V226-I295 HydrophobicContact CG2-CD1 4.13Å; V226-I295 HydrophobicContact CG2-CG2 3.84Å; L229-I295 HydrophobicContact CD1-CG2 3.98Å; G291-I295 WeakPolarHBondContact O-CG1 3.37Å; G291-I295 PolarHBondContact O-N 3.27Å; E292-I295 WeakPolarHBondContact O-CB 3.44Å; E292-I295 PolarHBondContact O-N 3.03Å; A293-I295 VanDerWaalsContact C-N 3.28Å; A293-I295 PolarHBondContact O-N 3.05Å; I295-W299 WeakPolarHBondContact O-CB 3.36Å; I295-W299 PolarHBondContact O-N 2.64Å |
| 296 | F | 89.9 | Confident | 79.8 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 1% | 0.013 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.9 | -52.4 | 179.2 | 172.8 | -109.5 | 0 | 0 | 0 | 112 | I267 Y270 A293 A294 G298 W299 V300 V340 | I267-F296 HydrophobicContact CB-CZ 4.35Å; I267-F296 HydrophobicContact CG1-CE2 4.03Å; I267-F296 HydrophobicContact CG1-CZ 3.96Å; I267-F296 HydrophobicContact CG2-CZ 4.08Å; Y270-F296 HydrophobicContact CD1-CB 4.21Å; Y270-F296 HydrophobicContact CD1-CD1 4.47Å; Y270-F296 AromaticContact CD1-CD2 3.23Å; Y270-F296 HydrophobicContact CD1-CD2 3.23Å; Y270-F296 AromaticContact CD1-CE2 3.64Å; Y270-F296 HydrophobicContact CD1-CE2 3.64Å; Y270-F296 AromaticContact CD1-CG 3.71Å; Y270-F296 HydrophobicContact CD1-CG 3.71Å; Y270-F296 HydrophobicContact CD1-CZ 4.41Å; Y270-F296 HydrophobicContact CD2-CD2 4.17Å; Y270-F296 HydrophobicContact CE1-CB 3.49Å; Y270-F296 VanDerWaalsContact CE1-CB 3.49Å; Y270-F296 HydrophobicContact CE1-CD1 4.31Å; Y270-F296 AromaticContact CE1-CD2 3.46Å; Y270-F296 HydrophobicContact CE1-CD2 3.46Å; Y270-F296 VanDerWaalsContact CE1-CD2 3.46Å; Y270-F296 HydrophobicContact CE1-CE2 4.28Å; Y270-F296 AromaticContact CE1-CG 3.48Å; Y270-F296 HydrophobicContact CE1-CG 3.48Å; Y270-F296 VanDerWaalsContact CE1-CG 3.48Å; Y270-F296 HydrophobicContact CE2-CB 4.45Å; Y270-F296 HydrophobicContact CE2-CD2 4.35Å; Y270-F296 AromaticContact CG-CD2 3.64Å; Y270-F296 HydrophobicContact CG-CD2 3.64Å; Y270-F296 AromaticContact CG-CE2 3.96Å; Y270-F296 HydrophobicContact CG-CE2 3.96Å; Y270-F296 HydrophobicContact CG-CG 4.48Å; A293-F296 PolarHBondContact O-N 3.36Å; A294-F296 VanDerWaalsContact C-N 3.32Å; A294-F296 PolarHBondContact O-N 3.05Å; F296-G298 VanDerWaalsContact C-N 3.33Å; F296-G298 PolarHBondContact O-N 2.96Å; F296-W299 PolarHBondContact O-N 3.01Å; F296-V300 HydrophobicContact CD2-CG2 4.17Å; F296-V300 HydrophobicContact CE1-CG2 4.16Å; F296-V300 HydrophobicContact CE2-CG2 3.68Å; F296-V300 HydrophobicContact CZ-CG2 3.67Å; F296-V300 WeakPolarHBondContact O-CG2 3.3Å; F296-V300 PolarHBondContact O-N 3.36Å; F296-V340 HydrophobicContact CZ-CG1 4.46Å |
| 297 | H | 88.4 | Confident | 81.9 | Confident | 103 Ų | 103 | 53 Ų | 53 | 48% | 0.477 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | -178.8 | -68.2 | -62.3 | 0 | 0 | 0 | 112.4 | A293 A294 V300 A301 | A293-H297 PolarHBondContact O-CD2 2.83Å; A293-H297 PolarHBondContact O-N 3.09Å; A294-H297 PolarHBondContact O-N 3.06Å; H297-V300 PolarHBondContact O-N 3.01Å; H297-A301 WeakPolarHBondContact O-CB 3.47Å; H297-A301 PolarHBondContact O-N 2.89Å |
| 298 | G | 91.1 | Very high | 83.9 | Confident | 42 Ų | 42 | 47.5 Ų | 47.5 | 43% | 0.433 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A294 F296 A301 Q302 | A294-G298 PolarHBondContact O-N 3.13Å; F296-G298 VanDerWaalsContact C-N 3.33Å; F296-G298 PolarHBondContact O-N 2.96Å; G298-A301 PolarHBondContact O-N 3.4Å; G298-Q302 WeakPolarHBondContact O-CB 3.45Å; G298-Q302 PolarHBondContact O-N 3.18Å |
| 299 | W | 93.8 | Very high | 86 | Confident | 25 Ų | 25 | 51.5 Ų | 51.5 | 10% | 0.095 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 176.1 | -178.3 | 87 | 0 | 0 | 0 | 112.4 | L229 L263 I266 I295 F296 Q302 R303 | L229-W299 HydrophobicContact CB-CD2 4.28Å; L229-W299 HydrophobicContact CB-CG 4.11Å; L229-W299 HydrophobicContact CD1-CB 3.94Å; L229-W299 HydrophobicContact CD1-CD2 4.48Å; L229-W299 HydrophobicContact CD1-CG 4.05Å; L229-W299 HydrophobicContact CD2-CD2 3.81Å; L229-W299 HydrophobicContact CD2-CE3 3.81Å; L229-W299 HydrophobicContact CD2-CG 4.25Å; L229-W299 HydrophobicContact CD2-CZ3 4.18Å; L229-W299 HydrophobicContact CG-CD2 4.41Å; L229-W299 HydrophobicContact CG-CG 4.37Å; L229-W299 PolarHBondContact O-NE1 3.4Å; L263-W299 HydrophobicContact CD1-CH2 3.41Å; L263-W299 VanDerWaalsContact CD1-CH2 3.41Å; L263-W299 HydrophobicContact CD1-CZ2 4.48Å; L263-W299 HydrophobicContact CD1-CZ3 3.48Å; L263-W299 VanDerWaalsContact CD1-CZ3 3.48Å; I266-W299 HydrophobicContact CB-CH2 4.27Å; I266-W299 HydrophobicContact CD1-CH2 4.32Å; I266-W299 HydrophobicContact CG2-CH2 3.54Å; I266-W299 HydrophobicContact CG2-CZ2 4.34Å; I266-W299 HydrophobicContact CG2-CZ3 3.98Å; I295-W299 WeakPolarHBondContact O-CB 3.36Å; I295-W299 PolarHBondContact O-N 2.64Å; F296-W299 PolarHBondContact O-N 3.01Å; W299-Q302 WeakPolarHBondContact O-CB 3.47Å; W299-Q302 PolarHBondContact O-N 3.35Å; W299-R303 HydrophobicContact CD2-CG 3.99Å; W299-R303 HydrophobicContact CE3-CG 4.13Å; W299-R303 HydrophobicContact CH2-CG 3.87Å; W299-R303 HydrophobicContact CZ2-CG 3.71Å; W299-R303 HydrophobicContact CZ3-CG 4.08Å; W299-R303 WeakPolarHBondContact O-CG 3.47Å; W299-R303 PolarHBondContact O-N 3.45Å |
| 300 | V | 93.3 | Very high | 88 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 176.6 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | I267 F296 H297 Q302 R303 V304 A342 | I267-V300 HydrophobicContact CD1-CG1 4.38Å; I267-V300 HydrophobicContact CD1-CG2 4.14Å; I267-V300 HydrophobicContact CG1-CG2 4.07Å; F296-V300 HydrophobicContact CD2-CG2 4.17Å; F296-V300 HydrophobicContact CE1-CG2 4.16Å; F296-V300 HydrophobicContact CE2-CG2 3.68Å; F296-V300 HydrophobicContact CZ-CG2 3.67Å; F296-V300 WeakPolarHBondContact O-CG2 3.3Å; F296-V300 PolarHBondContact O-N 3.36Å; H297-V300 PolarHBondContact O-N 3.01Å; V300-Q302 VanDerWaalsContact C-N 3.3Å; V300-Q302 PolarHBondContact O-N 3.39Å; V300-R303 PolarHBondContact O-N 2.75Å; V300-V304 HydrophobicContact CG1-CG2 4.46Å; V300-V304 WeakPolarHBondContact O-CG2 3.47Å; V300-V304 PolarHBondContact O-N 2.85Å; V300-A342 HydrophobicContact CG1-CB 3.72Å |
| 301 | A | 92.8 | Very high | 89.8 | Confident | 61 Ų | 61 | 44.9 Ų | 44.9 | 50% | 0.504 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H297 G298 V304 A305 | H297-A301 WeakPolarHBondContact O-CB 3.47Å; H297-A301 PolarHBondContact O-N 2.89Å; G298-A301 PolarHBondContact O-N 3.4Å; A301-V304 PolarHBondContact O-N 3.45Å; A301-A305 WeakPolarHBondContact O-CB 3.42Å; A301-A305 PolarHBondContact O-N 2.91Å |
| 302 | Q | 94.8 | Very high | 91.4 | Very high | 100 Ų | 100 | 45.3 Ų | 45.3 | 47% | 0.467 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 175.1 | -176.6 | -175.4 | -13.5 | 0 | 0 | 112 | G298 W299 V300 V304 A305 E306 | G298-Q302 WeakPolarHBondContact O-CB 3.45Å; G298-Q302 PolarHBondContact O-N 3.18Å; W299-Q302 WeakPolarHBondContact O-CB 3.47Å; W299-Q302 PolarHBondContact O-N 3.35Å; V300-Q302 VanDerWaalsContact C-N 3.3Å; V300-Q302 PolarHBondContact O-N 3.39Å; Q302-V304 VanDerWaalsContact C-N 3.33Å; Q302-V304 PolarHBondContact O-N 2.85Å; Q302-A305 PolarHBondContact O-N 3.43Å; Q302-E306 WeakPolarHBondContact CG-OE1 3.49Å; Q302-E306 PolarHBondContact NE2-OE1 3.26Å; Q302-E306 WeakPolarHBondContact O-CG 3.45Å; Q302-E306 PolarHBondContact O-N 2.91Å |
| 303 | R | 94.9 | Very high | 92.6 | Very high | 34 Ų | 34 | 47.7 Ų | 47.7 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 177.7 | -68.4 | -63.8 | 97.5 | 150.6 | 1.1 | 112.4 | L263 W299 V300 E306 F307 | L263-R303 HydrophobicContact CD1-CB 3.96Å; L263-R303 HydrophobicContact CD1-CG 3.95Å; L263-R303 HydrophobicContact CD2-CB 4.07Å; W299-R303 HydrophobicContact CD2-CG 3.99Å; W299-R303 HydrophobicContact CE3-CG 4.13Å; W299-R303 HydrophobicContact CH2-CG 3.87Å; W299-R303 HydrophobicContact CZ2-CG 3.71Å; W299-R303 HydrophobicContact CZ3-CG 4.08Å; W299-R303 WeakPolarHBondContact O-CG 3.47Å; W299-R303 PolarHBondContact O-N 3.45Å; V300-R303 PolarHBondContact O-N 2.75Å; R303-E306 IonicContact CZ-OE1 3.28Å; R303-E306 IonicContact CZ-OE2 3.23Å; R303-E306 IonicContact NE-OE1 2.7Å; R303-E306 IonicContact NE-OE2 3.18Å; R303-E306 PolarHBondContact NE-OE2 3.13Å; R303-E306 IonicContact NH1-OE2 3.36Å; R303-E306 IonicContact NH2-OE1 3.42Å; R303-E306 PolarHBondContact NH2-OE1 3.18Å; R303-E306 IonicContact NH2-OE2 2.65Å; R303-E306 PolarHBondContact NH2-OE2 3.26Å; R303-E306 PolarHBondContact O-N 3.48Å; R303-F307 PolarHBondContact O-N 3.1Å |
| 304 | V | 94.8 | Very high | 93.6 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 174.6 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | V300 A301 Q302 E306 F307 L308 F344 | V300-V304 HydrophobicContact CG1-CG2 4.46Å; V300-V304 WeakPolarHBondContact O-CG2 3.47Å; V300-V304 PolarHBondContact O-N 2.85Å; A301-V304 PolarHBondContact O-N 3.45Å; Q302-V304 VanDerWaalsContact C-N 3.33Å; Q302-V304 PolarHBondContact O-N 2.85Å; V304-E306 PolarHBondContact O-N 3.14Å; V304-F307 WeakPolarHBondContact O-CB 3.36Å; V304-F307 PolarHBondContact O-N 3.38Å; V304-L308 HydrophobicContact CG1-CD1 4.04Å; V304-L308 HydrophobicContact CG1-CG 4.37Å; V304-L308 WeakPolarHBondContact O-CG 3.38Å; V304-L308 PolarHBondContact O-N 3.47Å; V304-F344 HydrophobicContact CG1-CB 3.62Å; V304-F344 HydrophobicContact CG1-CD1 3.71Å; V304-F344 HydrophobicContact CG1-CD2 4.32Å; V304-F344 HydrophobicContact CG1-CE1 4.47Å; V304-F344 HydrophobicContact CG1-CG 3.62Å; V304-F344 HydrophobicContact CG2-CD1 3.93Å; V304-F344 HydrophobicContact CG2-CE1 4.28Å |
| 305 | A | 95.3 | Very high | 94.1 | Very high | 50 Ų | 50 | 43.8 Ų | 43.8 | 41% | 0.413 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A301 Q302 F307 L308 M309 | A301-A305 WeakPolarHBondContact O-CB 3.42Å; A301-A305 PolarHBondContact O-N 2.91Å; Q302-A305 PolarHBondContact O-N 3.43Å; A305-F307 PolarHBondContact O-N 3.5Å; A305-L308 PolarHBondContact O-N 2.75Å; A305-M309 VanDerWaalsContact O-CG 3.28Å; A305-M309 WeakPolarHBondContact O-CG 3.48Å; A305-M309 PolarHBondContact O-N 3.36Å |
| 306 | E | 96 | Very high | 94.2 | Very high | 69 Ų | 69 | 49 Ų | 49 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 174.6 | -73.8 | 168.8 | -162.8 | 0 | 0 | 112 | Q302 R303 V304 M309 T310 | Q302-E306 WeakPolarHBondContact CG-OE1 3.49Å; Q302-E306 PolarHBondContact NE2-OE1 3.26Å; Q302-E306 WeakPolarHBondContact O-CG 3.45Å; Q302-E306 PolarHBondContact O-N 2.91Å; R303-E306 IonicContact CZ-OE1 3.28Å; R303-E306 IonicContact CZ-OE2 3.23Å; R303-E306 IonicContact NE-OE1 2.7Å; R303-E306 IonicContact NE-OE2 3.18Å; R303-E306 PolarHBondContact NE-OE2 3.13Å; R303-E306 IonicContact NH1-OE2 3.36Å; R303-E306 IonicContact NH2-OE1 3.42Å; R303-E306 PolarHBondContact NH2-OE1 3.18Å; R303-E306 IonicContact NH2-OE2 2.65Å; R303-E306 PolarHBondContact NH2-OE2 3.26Å; R303-E306 PolarHBondContact O-N 3.48Å; V304-E306 PolarHBondContact O-N 3.14Å; E306-M309 PolarHBondContact O-N 3.49Å; E306-T310 PolarHBondContact O-N 3.26Å; E306-T310 VanDerWaalsContact O-N 3.08Å; E306-T310 PolarHBondContact O-OG1 3.37Å |
| 307 | F | 96.5 | Very high | 94.3 | Very high | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 173.5 | 165.5 | -100.6 | 0 | 0 | 0 | 112.2 | I252 T255 V256 C259 R303 V304 A305 M309 T310 L311 F333 F344 L348 | I252-F307 HydrophobicContact CD1-CE2 4.31Å; T255-F307 HydrophobicContact CG2-CD2 4.34Å; V256-F307 HydrophobicContact CB-CE2 4.45Å; V256-F307 HydrophobicContact CG2-CE2 3.65Å; V256-F307 HydrophobicContact CG2-CZ 3.76Å; C259-F307 HydrophobicContact CB-CD2 4.48Å; R303-F307 PolarHBondContact O-N 3.1Å; V304-F307 WeakPolarHBondContact O-CB 3.36Å; V304-F307 PolarHBondContact O-N 3.38Å; A305-F307 PolarHBondContact O-N 3.5Å; F307-M309 VanDerWaalsContact C-N 3.32Å; F307-M309 PolarHBondContact O-N 2.96Å; F307-T310 PolarHBondContact O-N 3.2Å; F307-L311 HydrophobicContact CE1-CD2 4.21Å; F307-L311 HydrophobicContact CZ-CB 4.45Å; F307-L311 HydrophobicContact CZ-CD2 4.26Å; F307-L311 WeakPolarHBondContact O-CB 3.23Å; F307-L311 PolarHBondContact O-N 2.91Å; F307-F333 HydrophobicContact CD1-CD1 4.45Å; F307-F333 AromaticContact CD1-CE1 3.81Å; F307-F333 HydrophobicContact CD1-CE1 3.81Å; F307-F333 HydrophobicContact CD2-CE1 4.03Å; F307-F333 AromaticContact CE1-CD1 3.96Å; F307-F333 HydrophobicContact CE1-CD1 3.96Å; F307-F333 AromaticContact CE1-CE1 3.77Å; F307-F333 HydrophobicContact CE1-CE1 3.77Å; F307-F333 HydrophobicContact CE2-CD1 4.29Å; F307-F333 HydrophobicContact CE2-CE1 4Å; F307-F333 AromaticContact CG-CE1 3.95Å; F307-F333 HydrophobicContact CG-CE1 3.95Å; F307-F333 AromaticContact CZ-CD1 3.88Å; F307-F333 HydrophobicContact CZ-CD1 3.88Å; F307-F333 AromaticContact CZ-CE1 3.88Å; F307-F333 HydrophobicContact CZ-CE1 3.88Å; F307-F344 HydrophobicContact CD1-CE2 4.33Å; F307-F344 AromaticContact CE1-CE2 3.99Å; F307-F344 HydrophobicContact CE1-CE2 3.99Å; F307-F344 HydrophobicContact CE1-CZ 4.42Å; F307-L348 HydrophobicContact CE1-CD2 4.42Å |
| 308 | L | 96.5 | Very high | 94.3 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 179.2 | -69.5 | 172.7 | 0 | 0 | 0 | 112.1 | V304 A305 L311 E312 F344 Q347 L348 L351 | V304-L308 HydrophobicContact CG1-CD1 4.04Å; V304-L308 HydrophobicContact CG1-CG 4.37Å; V304-L308 WeakPolarHBondContact O-CG 3.38Å; V304-L308 PolarHBondContact O-N 3.47Å; A305-L308 PolarHBondContact O-N 2.75Å; L308-L311 HydrophobicContact CD2-CD2 4.44Å; L308-L311 PolarHBondContact O-N 2.92Å; L308-E312 WeakPolarHBondContact O-CB 3.4Å; L308-E312 PolarHBondContact O-N 3.13Å; L308-F344 HydrophobicContact CD2-CD2 4.35Å; L308-Q347 HydrophobicContact CD1-CB 3.9Å; L308-Q347 HydrophobicContact CD1-CG 4.49Å; L308-Q347 VanDerWaalsContact CD1-OE1 3.25Å; L308-L348 HydrophobicContact CD2-CD2 3.63Å; L308-L351 HydrophobicContact CD2-CD1 4.06Å |
| 309 | M | 96.6 | Very high | 94 | Very high | 132 Ų | 132 | 49.7 Ų | 49.7 | 65% | 0.65 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 173.8 | -73.6 | -83.4 | -69.5 | 0 | 0 | 111.9 | A305 E306 F307 E312 K313 | A305-M309 VanDerWaalsContact O-CG 3.28Å; A305-M309 WeakPolarHBondContact O-CG 3.48Å; A305-M309 PolarHBondContact O-N 3.36Å; E306-M309 PolarHBondContact O-N 3.49Å; F307-M309 VanDerWaalsContact C-N 3.32Å; F307-M309 PolarHBondContact O-N 2.96Å; M309-E312 PolarHBondContact O-N 3.42Å; M309-K313 WeakPolarHBondContact O-CB 3.46Å; M309-K313 PolarHBondContact O-N 3.27Å |
| 310 | T | 96 | Very high | 93.5 | Very high | 46 Ų | 46 | 51 Ų | 51 | 28% | 0.282 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.8 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | T255 E306 F307 E312 K313 D314 | T255-T310 HydrophobicContact CG2-CG2 4.32Å; E306-T310 PolarHBondContact O-N 3.26Å; E306-T310 VanDerWaalsContact O-N 3.08Å; E306-T310 PolarHBondContact O-OG1 3.37Å; F307-T310 PolarHBondContact O-N 3.2Å; T310-E312 PolarHBondContact O-N 3.23Å; T310-K313 WeakPolarHBondContact O-CB 3.34Å; T310-K313 PolarHBondContact O-N 3.19Å; T310-D314 PolarHBondContact O-N 2.83Å |
| 311 | L | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.3 | -48.9 | 175.3 | 174.6 | 62.7 | 0 | 0 | 0 | 111.5 | I252 F307 L308 K313 D314 L315 L326 L348 L351 F352 | I252-L311 HydrophobicContact CD1-CB 3.98Å; I252-L311 HydrophobicContact CD1-CD1 3.82Å; I252-L311 HydrophobicContact CG1-CD1 3.61Å; F307-L311 HydrophobicContact CE1-CD2 4.21Å; F307-L311 HydrophobicContact CZ-CB 4.45Å; F307-L311 HydrophobicContact CZ-CD2 4.26Å; F307-L311 WeakPolarHBondContact O-CB 3.23Å; F307-L311 PolarHBondContact O-N 2.91Å; L308-L311 HydrophobicContact CD2-CD2 4.44Å; L308-L311 PolarHBondContact O-N 2.92Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-K313 PolarHBondContact O-N 2.97Å; L311-D314 PolarHBondContact O-N 2.67Å; L311-L315 HydrophobicContact CD1-CD1 3.86Å; L311-L315 HydrophobicContact CD1-CD2 4.48Å; L311-L315 HydrophobicContact CD1-CG 3.92Å; L311-L315 HydrophobicContact CG-CD1 3.83Å; L311-L315 HydrophobicContact CG-CG 4.3Å; L311-L315 VanDerWaalsContact O-CB 3.3Å; L311-L315 WeakPolarHBondContact O-CB 3.49Å; L311-L315 WeakPolarHBondContact O-CG 3.44Å; L311-L315 PolarHBondContact O-N 3.41Å; L311-L326 HydrophobicContact CD1-CD2 4.49Å; L311-L348 HydrophobicContact CD2-CD2 3.55Å; L311-L351 HydrophobicContact CD2-CD1 4.1Å; L311-F352 HydrophobicContact CD1-CE2 4.43Å; L311-F352 HydrophobicContact CD1-CZ 4.1Å; L311-F352 HydrophobicContact CD2-CE2 3.96Å; L311-F352 HydrophobicContact CD2-CZ 4.42Å |
| 312 | E | 95.8 | Very high | 92.4 | Very high | 51 Ų | 51 | 59.7 Ų | 59.7 | 24% | 0.238 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 178 | -175.2 | 176.1 | -163.3 | 0 | 0 | 112 | L308 M309 T310 D314 L315 R316 L351 | L308-E312 WeakPolarHBondContact O-CB 3.4Å; L308-E312 PolarHBondContact O-N 3.13Å; M309-E312 PolarHBondContact O-N 3.42Å; T310-E312 PolarHBondContact O-N 3.23Å; E312-D314 PolarHBondContact O-N 3.45Å; E312-L315 PolarHBondContact O-N 3.26Å; E312-R316 WeakPolarHBondContact O-CB 3.38Å; E312-R316 VanDerWaalsContact O-CG 3.31Å; E312-R316 WeakPolarHBondContact O-CG 3.16Å; E312-R316 PolarHBondContact O-N 2.68Å; E312-R316 IonicContact OE1-CZ 3.3Å; E312-R316 VanDerWaalsContact OE1-CZ 3.3Å; E312-R316 IonicContact OE1-NE 3.54Å; E312-R316 IonicContact OE1-NH2 2.62Å; E312-R316 PolarHBondContact OE1-NH2 3.21Å; E312-L351 HydrophobicContact CB-CD2 4.12Å; E312-L351 HydrophobicContact CG-CD2 4.06Å |
| 313 | K | 95.3 | Very high | 92.1 | Very high | 108 Ų | 108 | 55.9 Ų | 55.9 | 47% | 0.47 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.1 | -48 | 176.1 | -179 | -165.1 | 170.3 | -153.1 | 0 | 111.5 | D245 M309 T310 L311 R316 R317 | D245-K313 IonicContact OD2-NZ 3.08Å; M309-K313 WeakPolarHBondContact O-CB 3.46Å; M309-K313 PolarHBondContact O-N 3.27Å; T310-K313 WeakPolarHBondContact O-CB 3.34Å; T310-K313 PolarHBondContact O-N 3.19Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-K313 PolarHBondContact O-N 2.97Å; K313-R316 PolarHBondContact O-N 3.24Å; K313-R317 WeakPolarHBondContact O-CG 3.36Å; K313-R317 PolarHBondContact O-N 3.45Å |
| 314 | D | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -73.4 | -37 | -177.5 | -70.9 | -28.8 | 0 | 0 | 0 | 112.8 | P248 H251 I252 T310 L311 E312 R316 R317 G318 | P248-D314 HydrophobicContact CB-CB 4.37Å; H251-D314 IonicContact CE1-OD2 3.65Å; H251-D314 PolarHBondContact CE1-OD2 2.8Å; H251-D314 IonicContact CG-OD2 3.39Å; H251-D314 IonicContact ND1-OD1 2.98Å; H251-D314 IonicContact ND1-OD2 2.64Å; H251-D314 PolarHBondContact ND1-OD2 3.48Å; I252-D314 HydrophobicContact CB-CB 4.08Å; T310-D314 PolarHBondContact O-N 2.83Å; L311-D314 PolarHBondContact O-N 2.67Å; E312-D314 PolarHBondContact O-N 3.45Å; D314-R316 VanDerWaalsContact C-N 3.3Å; D314-R316 PolarHBondContact O-N 2.95Å; D314-R317 WeakPolarHBondContact O-CB 3.46Å; D314-R317 PolarHBondContact O-N 2.97Å; D314-R317 VanDerWaalsContact O-N 3.13Å; D314-R317 IonicContact OD1-CZ 2.68Å; D314-R317 IonicContact OD1-NH1 2.94Å; D314-R317 PolarHBondContact OD1-NH1 3.43Å; D314-G318 PolarHBondContact O-N 3.29Å |
| 315 | L | 93.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.4 | -44.9 | 172.6 | -77 | 176.7 | 0 | 0 | 0 | 111.4 | L311 E312 R317 G318 V319 L323 L326 L351 F352 V355 | L311-L315 HydrophobicContact CD1-CD1 3.86Å; L311-L315 HydrophobicContact CD1-CD2 4.48Å; L311-L315 HydrophobicContact CD1-CG 3.92Å; L311-L315 HydrophobicContact CG-CD1 3.83Å; L311-L315 HydrophobicContact CG-CG 4.3Å; L311-L315 VanDerWaalsContact O-CB 3.3Å; L311-L315 WeakPolarHBondContact O-CB 3.49Å; L311-L315 WeakPolarHBondContact O-CG 3.44Å; L311-L315 PolarHBondContact O-N 3.41Å; E312-L315 PolarHBondContact O-N 3.26Å; L315-R317 VanDerWaalsContact C-N 3.29Å; L315-R317 PolarHBondContact O-N 2.95Å; L315-G318 PolarHBondContact O-N 2.91Å; L315-G318 VanDerWaalsContact O-N 3.09Å; L315-V319 HydrophobicContact CD2-CG1 4.22Å; L315-V319 HydrophobicContact CD2-CG2 3.76Å; L315-L323 HydrophobicContact CD2-CD1 3.74Å; L315-L326 HydrophobicContact CD2-CD2 3.98Å; L315-L351 HydrophobicContact CD1-CB 4.12Å; L315-F352 HydrophobicContact CD1-CE1 4.48Å; L315-F352 HydrophobicContact CD1-CE2 4.48Å; L315-F352 HydrophobicContact CD1-CZ 4.44Å; L315-F352 HydrophobicContact CD2-CD1 4.32Å; L315-F352 HydrophobicContact CD2-CE1 4Å; L315-V355 HydrophobicContact CB-CG2 3.74Å; L315-V355 HydrophobicContact CD1-CG2 4.29Å; L315-V355 HydrophobicContact CG-CG2 4.4Å |
| 316 | R | 92.2 | Very high | 91.5 | Very high | 163 Ų | 163 | 56.8 Ų | 56.8 | 62% | 0.615 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.6 | -26.4 | 176.9 | -72.3 | 177.9 | -177.3 | -174.2 | 2 | 113.8 | E312 K313 D314 G318 | E312-R316 WeakPolarHBondContact O-CB 3.38Å; E312-R316 VanDerWaalsContact O-CG 3.31Å; E312-R316 WeakPolarHBondContact O-CG 3.16Å; E312-R316 PolarHBondContact O-N 2.68Å; E312-R316 IonicContact OE1-CZ 3.3Å; E312-R316 VanDerWaalsContact OE1-CZ 3.3Å; E312-R316 IonicContact OE1-NE 3.54Å; E312-R316 IonicContact OE1-NH2 2.62Å; E312-R316 PolarHBondContact OE1-NH2 3.21Å; K313-R316 PolarHBondContact O-N 3.24Å; D314-R316 VanDerWaalsContact C-N 3.3Å; D314-R316 PolarHBondContact O-N 2.95Å; R316-G318 PolarHBondContact O-N 3.08Å |
| 317 | R | 92 | Very high | 91.4 | Very high | 108 Ų | 108 | 55.2 Ų | 55.2 | 41% | 0.408 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -73.6 | -17 | 173.6 | -72.3 | 167.8 | 63.8 | -160.6 | 9.1 | 112.8 | D245 P248 K313 D314 L315 | D245-R317 PolarHBondContact O-NH2 2.89Å; D245-R317 IonicContact OD1-CZ 3.56Å; D245-R317 IonicContact OD1-NH1 3.78Å; D245-R317 PolarHBondContact OD1-NH1 2.86Å; D245-R317 IonicContact OD1-NH2 3.38Å; D245-R317 IonicContact OD2-NH1 2.75Å; P248-R317 HydrophobicContact CB-CB 4.11Å; P248-R317 HydrophobicContact CG-CB 3.76Å; K313-R317 WeakPolarHBondContact O-CG 3.36Å; K313-R317 PolarHBondContact O-N 3.45Å; D314-R317 WeakPolarHBondContact O-CB 3.46Å; D314-R317 PolarHBondContact O-N 2.97Å; D314-R317 VanDerWaalsContact O-N 3.13Å; D314-R317 IonicContact OD1-CZ 2.68Å; D314-R317 IonicContact OD1-NH1 2.94Å; D314-R317 PolarHBondContact OD1-NH1 3.43Å; L315-R317 VanDerWaalsContact C-N 3.29Å; L315-R317 PolarHBondContact O-N 2.95Å |
| 318 | G | 88.3 | Confident | 91.2 | Very high | 44 Ų | 44 | 56.7 Ų | 56.7 | 45% | 0.454 | 31% | 0.305 | S | S | . | . | trans | 94.8 | 109.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D314 L315 R316 | D314-G318 PolarHBondContact O-N 3.29Å; L315-G318 PolarHBondContact O-N 2.91Å; L315-G318 VanDerWaalsContact O-N 3.09Å; R316-G318 PolarHBondContact O-N 3.08Å | ||
| 319 | V | 84.1 | Confident | 91.1 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | trans | -97 | 12.5 | -179.6 | -66.4 | 0 | 0 | 0 | 0 | 113.4 | P248 Y249 I252 L315 L323 L326 | P248-V319 HydrophobicContact CB-CG1 4.33Å; Y249-V319 HydrophobicContact CD2-CB 4.2Å; Y249-V319 WeakPolarHBondContact CD2-O 3.42Å; I252-V319 HydrophobicContact CG2-CG1 4.25Å; L315-V319 HydrophobicContact CD2-CG1 4.22Å; L315-V319 HydrophobicContact CD2-CG2 3.76Å; V319-L323 HydrophobicContact CG2-CD1 3.74Å; V319-L326 HydrophobicContact CB-CD2 4.29Å; V319-L326 HydrophobicContact CG1-CD2 4.14Å; V319-L326 HydrophobicContact CG2-CD2 4.16Å | ||
| 320 | G | 83.1 | Confident | 91.1 | Very high | 52 Ų | 52 | 52.9 Ų | 52.9 | 54% | 0.536 | 29% | 0.286 | S | S | . | . | trans | 70.8 | -164.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R322 | G320-R322 VanDerWaalsContact C-N 3.33Å; G320-R322 PolarHBondContact O-N 3.28Å | ||
| 321 | P | 78.3 | Confident | 91 | Very high | 99 Ų | 99 | 53.5 Ų | 53.5 | 64% | 0.643 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -79 | -10.5 | -168.9 | 30.6 | -35.9 | 0 | 0 | 0 | 114.5 | L323 | P321-L323 PolarHBondContact O-N 3.12Å; P321-L323 VanDerWaalsContact O-N 3.15Å |
| 322 | R | 84.4 | Confident | 90.9 | Very high | 149 Ų | 149 | 59.8 Ų | 59.8 | 56% | 0.562 | 31% | 0.311 | S | S | * | . | trans | -90.7 | 45.3 | -173.9 | -70.2 | -175.3 | -78.6 | -173.8 | -5.4 | 112.7 | Y249 G320 D324 S325 L326 | Y249-R322 HydrophobicContact CE2-CB 3.76Å; G320-R322 VanDerWaalsContact C-N 3.33Å; G320-R322 PolarHBondContact O-N 3.28Å; R322-D324 VanDerWaalsContact C-N 3.29Å; R322-D324 PolarHBondContact O-N 3.06Å; R322-S325 PolarHBondContact O-N 2.83Å; R322-L326 PolarHBondContact O-N 3.45Å | ||
| 323 | L | 88.5 | Confident | 90.9 | Very high | 20 Ų | 20 | 57.4 Ų | 57.4 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.3 | -34.1 | -177.7 | -168.2 | 66 | 0 | 0 | 0 | 111.8 | L315 V319 P321 L326 L327 F352 V355 A356 C432 | L315-L323 HydrophobicContact CD2-CD1 3.74Å; V319-L323 HydrophobicContact CG2-CD1 3.74Å; P321-L323 PolarHBondContact O-N 3.12Å; P321-L323 VanDerWaalsContact O-N 3.15Å; L323-L326 PolarHBondContact O-N 3.09Å; L323-L327 WeakPolarHBondContact O-CB 3.3Å; L323-L327 PolarHBondContact O-N 3.12Å; L323-F352 HydrophobicContact CD1-CD1 3.51Å; L323-F352 HydrophobicContact CD1-CE1 3.76Å; L323-F352 HydrophobicContact CD2-CD1 4.43Å; L323-F352 HydrophobicContact CG-CD1 3.8Å; L323-F352 HydrophobicContact CG-CE1 4.33Å; L323-V355 HydrophobicContact CD1-CG1 4.46Å; L323-V355 HydrophobicContact CD2-CG1 4.49Å; L323-A356 HydrophobicContact CD2-CB 3.97Å; L323-C432 VanDerWaalsContact C-SG 3.55Å; L323-C432 HydrophobicContact CD2-CB 3.85Å; L323-C432 HydrophobicContact CG-CB 4.29Å |
| 324 | D | 88.5 | Confident | 90.8 | Very high | 64 Ų | 64 | 52.2 Ų | 52.2 | 34% | 0.342 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 175.8 | 59.3 | -37.9 | 0 | 0 | 0 | 113.1 | R322 L326 L327 G328 L431 C432 | R322-D324 VanDerWaalsContact C-N 3.29Å; R322-D324 PolarHBondContact O-N 3.06Å; D324-L326 VanDerWaalsContact C-N 3.32Å; D324-L326 PolarHBondContact O-N 3.15Å; D324-L327 PolarHBondContact O-N 3.45Å; D324-G328 PolarHBondContact O-N 2.95Å; D324-L431 HydrophobicContact CB-CB 3.95Å; D324-C432 VanDerWaalsContact CA-SG 3.59Å; D324-C432 PolarHBondContact N-SG 3.25Å; D324-C432 VanDerWaalsContact N-SG 3.45Å |
| 325 | S | 91.9 | Very high | 90.7 | Very high | 50 Ų | 50 | 56 Ų | 56 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 179.4 | -168.3 | 0 | 0 | 0 | 0 | 110.4 | R322 G328 Q329 | R322-S325 PolarHBondContact O-N 2.83Å; S325-G328 PolarHBondContact O-N 3.24Å; S325-Q329 WeakPolarHBondContact O-CG 3.46Å; S325-Q329 PolarHBondContact O-N 3.2Å |
| 326 | L | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 177.6 | -178.5 | 60.1 | 0 | 0 | 0 | 112.1 | Y249 I252 V256 L311 L315 V319 R322 L323 D324 G328 Q329 C330 F352 | Y249-L326 HydrophobicContact CE2-CB 4.46Å; I252-L326 HydrophobicContact CG1-CD1 4.16Å; I252-L326 HydrophobicContact CG1-CD2 4.44Å; I252-L326 HydrophobicContact CG2-CD1 3.71Å; I252-L326 HydrophobicContact CG2-CD2 3.64Å; I252-L326 HydrophobicContact CG2-CG 4.34Å; V256-L326 HydrophobicContact CG2-CD1 4.45Å; L311-L326 HydrophobicContact CD1-CD2 4.49Å; L315-L326 HydrophobicContact CD2-CD2 3.98Å; V319-L326 HydrophobicContact CB-CD2 4.29Å; V319-L326 HydrophobicContact CG1-CD2 4.14Å; V319-L326 HydrophobicContact CG2-CD2 4.16Å; R322-L326 PolarHBondContact O-N 3.45Å; L323-L326 PolarHBondContact O-N 3.09Å; D324-L326 VanDerWaalsContact C-N 3.32Å; D324-L326 PolarHBondContact O-N 3.15Å; L326-G328 VanDerWaalsContact C-N 3.33Å; L326-G328 PolarHBondContact O-N 3Å; L326-Q329 PolarHBondContact O-N 3.33Å; L326-C330 PolarHBondContact O-N 2.97Å; L326-C330 PolarHBondContact O-SG 3.22Å; L326-F352 HydrophobicContact CB-CE1 4.29Å; L326-F352 HydrophobicContact CD2-CE1 4.14Å; L326-F352 HydrophobicContact CD2-CZ 4.35Å; L326-F352 HydrophobicContact CG-CE1 4Å; L326-F352 HydrophobicContact CG-CZ 4.02Å |
| 327 | L | 93 | Very high | 90.5 | Very high | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 174.6 | 175.3 | 60.9 | 0 | 0 | 0 | 110.9 | L323 D324 Q329 C330 M331 F352 | L323-L327 WeakPolarHBondContact O-CB 3.3Å; L323-L327 PolarHBondContact O-N 3.12Å; D324-L327 PolarHBondContact O-N 3.45Å; L327-Q329 VanDerWaalsContact C-N 3.34Å; L327-Q329 PolarHBondContact O-N 2.95Å; L327-C330 PolarHBondContact O-N 3.4Å; L327-M331 HydrophobicContact CD1-CE 3.8Å; L327-M331 HydrophobicContact CD1-CG 3.9Å; L327-M331 HydrophobicContact CG-CG 4.28Å; L327-M331 VanDerWaalsContact O-CB 3.32Å; L327-M331 WeakPolarHBondContact O-CB 3.49Å; L327-M331 VanDerWaalsContact O-CG 3.25Å; L327-M331 WeakPolarHBondContact O-CG 3.4Å; L327-M331 PolarHBondContact O-N 2.97Å; L327-F352 HydrophobicContact CB-CD1 3.87Å; L327-F352 HydrophobicContact CB-CE1 3.82Å; L327-F352 HydrophobicContact CB-CG 4.3Å; L327-F352 HydrophobicContact CB-CZ 4.2Å; L327-F352 HydrophobicContact CD1-CB 4.25Å; L327-F352 HydrophobicContact CD1-CD1 4.21Å; L327-F352 HydrophobicContact CD1-CD2 3.57Å; L327-F352 HydrophobicContact CD1-CE1 4.48Å; L327-F352 HydrophobicContact CD1-CE2 3.87Å; L327-F352 HydrophobicContact CD1-CG 3.75Å; L327-F352 HydrophobicContact CD1-CZ 4.33Å; L327-F352 HydrophobicContact CG-CG 4.47Å |
| 328 | G | 93.1 | Very high | 90.3 | Very high | 40 Ų | 40 | 46 Ų | 46 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D324 S325 L326 M331 Y332 | D324-G328 PolarHBondContact O-N 2.95Å; S325-G328 PolarHBondContact O-N 3.24Å; L326-G328 VanDerWaalsContact C-N 3.33Å; L326-G328 PolarHBondContact O-N 3Å; G328-M331 PolarHBondContact O-N 3.41Å; G328-Y332 WeakPolarHBondContact O-CB 3.43Å; G328-Y332 PolarHBondContact O-N 3.01Å |
| 329 | Q | 94.5 | Very high | 90 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 175.7 | -70.4 | 175.1 | 5.9 | 0 | 0 | 112.3 | V256 S325 L326 L327 Y332 F333 | V256-Q329 HydrophobicContact CG1-CB 4.24Å; S325-Q329 WeakPolarHBondContact O-CG 3.46Å; S325-Q329 PolarHBondContact O-N 3.2Å; L326-Q329 PolarHBondContact O-N 3.33Å; L327-Q329 VanDerWaalsContact C-N 3.34Å; L327-Q329 PolarHBondContact O-N 2.95Å; Q329-Y332 PolarHBondContact O-N 3.41Å; Q329-F333 WeakPolarHBondContact O-CB 3.4Å; Q329-F333 PolarHBondContact O-N 3.47Å |
| 330 | C | 95.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 177.5 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | L326 L327 F333 G334 L348 F352 | L326-C330 PolarHBondContact O-N 2.97Å; L326-C330 PolarHBondContact O-SG 3.22Å; L327-C330 PolarHBondContact O-N 3.4Å; C330-F333 WeakPolarHBondContact O-CB 3.39Å; C330-F333 PolarHBondContact O-N 3.48Å; C330-G334 PolarHBondContact O-N 2.98Å; C330-L348 HydrophobicContact CB-CD1 3.76Å; C330-L348 HydrophobicContact CB-CD2 4.11Å; C330-L348 WeakPolarHBondContact O-CD1 3.35Å; C330-F352 HydrophobicContact CB-CE2 4.24Å; C330-F352 HydrophobicContact CB-CZ 4.29Å |
| 331 | M | 94.3 | Very high | 89.7 | Confident | 59 Ų | 59 | 54.9 Ų | 54.9 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 175.1 | -76 | -69.1 | 180 | 0 | 0 | 111.6 | L327 G328 G334 L335 R345 L348 | L327-M331 HydrophobicContact CD1-CE 3.8Å; L327-M331 HydrophobicContact CD1-CG 3.9Å; L327-M331 HydrophobicContact CG-CG 4.28Å; L327-M331 VanDerWaalsContact O-CB 3.32Å; L327-M331 WeakPolarHBondContact O-CB 3.49Å; L327-M331 VanDerWaalsContact O-CG 3.25Å; L327-M331 WeakPolarHBondContact O-CG 3.4Å; L327-M331 PolarHBondContact O-N 2.97Å; G328-M331 PolarHBondContact O-N 3.41Å; M331-G334 PolarHBondContact O-N 3.17Å; M331-L335 VanDerWaalsContact O-CB 3.31Å; M331-L335 WeakPolarHBondContact O-CB 3.3Å; M331-L335 PolarHBondContact O-N 3.36Å; M331-R345 WeakPolarHBondContact O-CD 3.47Å; M331-R345 HydrophobicContact SD-CB 3.76Å; M331-R345 HydrophobicContact SD-CG 3.72Å; M331-L348 HydrophobicContact CE-CB 4.22Å; M331-L348 HydrophobicContact SD-CD1 4.21Å |
| 332 | Y | 94.6 | Very high | 90.2 | Very high | 131 Ų | 131 | 51.1 Ų | 51.1 | 51% | 0.514 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 173.9 | 178.9 | -104.6 | 0 | 0 | 0 | 111.8 | G328 Q329 L335 S336 | G328-Y332 WeakPolarHBondContact O-CB 3.43Å; G328-Y332 PolarHBondContact O-N 3.01Å; Q329-Y332 PolarHBondContact O-N 3.41Å; Y332-L335 PolarHBondContact O-N 3.07Å; Y332-S336 PolarHBondContact O-N 3.41Å; Y332-S336 PolarHBondContact O-OG 2.88Å |
| 333 | F | 94.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.4 | -52.3 | 173.4 | 173.9 | -154.3 | 0 | 0 | 0 | 111.1 | V256 C259 R260 F307 Q329 C330 L335 S336 F337 F344 | V256-F333 HydrophobicContact CG1-CB 4.22Å; V256-F333 HydrophobicContact CG1-CD1 4.26Å; C259-F333 HydrophobicContact CB-CE1 3.99Å; C259-F333 HydrophobicContact CB-CZ 3.86Å; R260-F333 HydrophobicContact CB-CB 4.4Å; R260-F333 HydrophobicContact CB-CD2 3.59Å; R260-F333 HydrophobicContact CB-CE2 4.03Å; R260-F333 HydrophobicContact CB-CG 3.99Å; R260-F333 HydrophobicContact CG-CB 4.32Å; R260-F333 HydrophobicContact CG-CD2 3.69Å; R260-F333 HydrophobicContact CG-CE2 4.42Å; R260-F333 HydrophobicContact CG-CG 4.23Å; F307-F333 HydrophobicContact CD1-CD1 4.45Å; F307-F333 AromaticContact CD1-CE1 3.81Å; F307-F333 HydrophobicContact CD1-CE1 3.81Å; F307-F333 HydrophobicContact CD2-CE1 4.03Å; F307-F333 AromaticContact CE1-CD1 3.96Å; F307-F333 HydrophobicContact CE1-CD1 3.96Å; F307-F333 AromaticContact CE1-CE1 3.77Å; F307-F333 HydrophobicContact CE1-CE1 3.77Å; F307-F333 HydrophobicContact CE2-CD1 4.29Å; F307-F333 HydrophobicContact CE2-CE1 4Å; F307-F333 AromaticContact CG-CE1 3.95Å; F307-F333 HydrophobicContact CG-CE1 3.95Å; F307-F333 AromaticContact CZ-CD1 3.88Å; F307-F333 HydrophobicContact CZ-CD1 3.88Å; F307-F333 AromaticContact CZ-CE1 3.88Å; F307-F333 HydrophobicContact CZ-CE1 3.88Å; Q329-F333 WeakPolarHBondContact O-CB 3.4Å; Q329-F333 PolarHBondContact O-N 3.47Å; C330-F333 WeakPolarHBondContact O-CB 3.39Å; C330-F333 PolarHBondContact O-N 3.48Å; F333-L335 VanDerWaalsContact C-N 3.33Å; F333-L335 PolarHBondContact O-N 3.22Å; F333-S336 PolarHBondContact O-N 3.32Å; F333-S336 VanDerWaalsContact O-N 3.14Å; F333-S336 PolarHBondContact O-OG 3.35Å; F333-F337 AromaticContact CD2-CD2 3.82Å; F333-F337 HydrophobicContact CD2-CD2 3.82Å; F333-F337 AromaticContact CD2-CE2 3.89Å; F333-F337 HydrophobicContact CD2-CE2 3.89Å; F333-F337 HydrophobicContact CE2-CD1 4.45Å; F333-F337 AromaticContact CE2-CD2 3.66Å; F333-F337 HydrophobicContact CE2-CD2 3.66Å; F333-F337 HydrophobicContact CE2-CE1 4.22Å; F333-F337 AromaticContact CE2-CE2 3.43Å; F333-F337 HydrophobicContact CE2-CE2 3.43Å; F333-F337 VanDerWaalsContact CE2-CE2 3.43Å; F333-F337 HydrophobicContact CE2-CG 4.2Å; F333-F337 AromaticContact CE2-CZ 3.75Å; F333-F337 HydrophobicContact CE2-CZ 3.75Å; F333-F337 PolarHBondContact O-N 3.43Å; F333-F344 HydrophobicContact CB-CZ 4.46Å; F333-F344 HydrophobicContact CD1-CE2 4.29Å; F333-F344 AromaticContact CD1-CZ 3.57Å; F333-F344 HydrophobicContact CD1-CZ 3.57Å; F333-F344 HydrophobicContact CD2-CE1 4.43Å; F333-F344 HydrophobicContact CD2-CZ 4.07Å; F333-F344 HydrophobicContact CE1-CE1 4.35Å; F333-F344 HydrophobicContact CE1-CE2 4.46Å; F333-F344 AromaticContact CE1-CZ 3.64Å; F333-F344 HydrophobicContact CE1-CZ 3.64Å; F333-F344 HydrophobicContact CE2-CE1 4.24Å; F333-F344 HydrophobicContact CE2-CZ 4.13Å; F333-F344 AromaticContact CG-CZ 3.78Å; F333-F344 HydrophobicContact CG-CZ 3.78Å; F333-F344 HydrophobicContact CZ-CE1 4.2Å; F333-F344 AromaticContact CZ-CZ 3.93Å; F333-F344 HydrophobicContact CZ-CZ 3.93Å |
| 334 | G | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | C330 M331 S336 F337 S338 F344 | C330-G334 PolarHBondContact O-N 2.98Å; M331-G334 PolarHBondContact O-N 3.17Å; G334-S336 PolarHBondContact O-N 3.3Å; G334-F337 PolarHBondContact O-N 2.94Å; G334-S338 PolarHBondContact O-N 2.91Å; G334-S338 VanDerWaalsContact O-N 3.17Å; G334-F344 VanDerWaalsContact CA-CZ 3.47Å |
| 335 | L | 92.4 | Very high | 91 | Very high | 79 Ų | 79 | 47.9 Ų | 47.9 | 41% | 0.414 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 175.3 | 177.4 | 65.1 | 0 | 0 | 0 | 111.8 | M331 Y332 F333 F337 S338 | M331-L335 VanDerWaalsContact O-CB 3.31Å; M331-L335 WeakPolarHBondContact O-CB 3.3Å; M331-L335 PolarHBondContact O-N 3.36Å; Y332-L335 PolarHBondContact O-N 3.07Å; F333-L335 VanDerWaalsContact C-N 3.33Å; F333-L335 PolarHBondContact O-N 3.22Å; L335-F337 PolarHBondContact O-N 3.36Å; L335-S338 VanDerWaalsContact O-CB 3.31Å; L335-S338 WeakPolarHBondContact O-CB 3.48Å; L335-S338 PolarHBondContact O-N 3.21Å; L335-S338 VanDerWaalsContact O-N 3.09Å; L335-S338 PolarHBondContact O-OG 3.04Å |
| 336 | S | 90.5 | Very high | 90.9 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -28.7 | 178.4 | 68.8 | 0 | 0 | 0 | 0 | 112.3 | Y332 F333 G334 | Y332-S336 PolarHBondContact O-N 3.41Å; Y332-S336 PolarHBondContact O-OG 2.88Å; F333-S336 PolarHBondContact O-N 3.32Å; F333-S336 VanDerWaalsContact O-N 3.14Å; F333-S336 PolarHBondContact O-OG 3.35Å; G334-S336 PolarHBondContact O-N 3.3Å |
| 337 | F | 90.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -86.6 | -12.7 | 178.4 | -85.8 | -123.5 | 0 | 0 | 0 | 113.9 | L263 F264 I267 F333 G334 L335 R339 V340 G341 A342 F344 | L263-F337 HydrophobicContact CB-CE1 4.24Å; L263-F337 HydrophobicContact CB-CZ 3.78Å; L263-F337 HydrophobicContact CD2-CE1 3.47Å; L263-F337 VanDerWaalsContact CD2-CE1 3.47Å; L263-F337 HydrophobicContact CD2-CZ 3.82Å; L263-F337 HydrophobicContact CG-CE1 3.64Å; L263-F337 HydrophobicContact CG-CZ 3.73Å; F264-F337 HydrophobicContact CB-CE2 4Å; F264-F337 HydrophobicContact CB-CZ 4.19Å; F264-F337 HydrophobicContact CD2-CE2 4.3Å; I267-F337 HydrophobicContact CD1-CD1 4.03Å; I267-F337 HydrophobicContact CD1-CE1 3.3Å; I267-F337 HydrophobicContact CD1-CZ 3.87Å; F333-F337 AromaticContact CD2-CD2 3.82Å; F333-F337 HydrophobicContact CD2-CD2 3.82Å; F333-F337 AromaticContact CD2-CE2 3.89Å; F333-F337 HydrophobicContact CD2-CE2 3.89Å; F333-F337 HydrophobicContact CE2-CD1 4.45Å; F333-F337 AromaticContact CE2-CD2 3.66Å; F333-F337 HydrophobicContact CE2-CD2 3.66Å; F333-F337 HydrophobicContact CE2-CE1 4.22Å; F333-F337 AromaticContact CE2-CE2 3.43Å; F333-F337 HydrophobicContact CE2-CE2 3.43Å; F333-F337 VanDerWaalsContact CE2-CE2 3.43Å; F333-F337 HydrophobicContact CE2-CG 4.2Å; F333-F337 AromaticContact CE2-CZ 3.75Å; F333-F337 HydrophobicContact CE2-CZ 3.75Å; F333-F337 PolarHBondContact O-N 3.43Å; G334-F337 PolarHBondContact O-N 2.94Å; L335-F337 PolarHBondContact O-N 3.36Å; F337-R339 PolarHBondContact O-N 3.03Å; F337-V340 CarbonylContact O-C 3.59Å; F337-V340 WeakPolarHBondContact O-CA 3.2Å; F337-V340 PolarHBondContact O-N 3Å; F337-G341 PolarHBondContact O-N 2.88Å; F337-A342 HydrophobicContact CB-CB 4.39Å; F337-A342 WeakPolarHBondContact CB-O 3.45Å; F337-A342 HydrophobicContact CD1-CB 4.26Å; F337-A342 PolarHBondContact O-N 2.94Å; F337-F344 HydrophobicContact CB-CE1 4.33Å; F337-F344 HydrophobicContact CG-CE1 4.47Å |
| 338 | S | 87.6 | Confident | 90.9 | Very high | 46 Ų | 46 | 52.5 Ų | 52.5 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.2 | -33.2 | 170.3 | 71.6 | 0 | 0 | 0 | 0 | 112.3 | G334 L335 V340 G341 | G334-S338 PolarHBondContact O-N 2.91Å; G334-S338 VanDerWaalsContact O-N 3.17Å; L335-S338 VanDerWaalsContact O-CB 3.31Å; L335-S338 WeakPolarHBondContact O-CB 3.48Å; L335-S338 PolarHBondContact O-N 3.21Å; L335-S338 VanDerWaalsContact O-N 3.09Å; L335-S338 PolarHBondContact O-OG 3.04Å; S338-V340 PolarHBondContact O-N 3.2Å; S338-G341 PolarHBondContact O-N 3.13Å |
| 339 | R | 82.4 | Confident | 90.7 | Very high | 213 Ų | 213 | 52.6 Ų | 52.6 | 80% | 0.804 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.7 | 175.4 | -61.9 | -178.2 | 179.9 | -175.2 | -0.5 | 113.2 | F337 | F337-R339 PolarHBondContact O-N 3.03Š|
| 340 | V | 79.4 | Confident | 90.5 | Very high | 12 Ų | 12 | 53.1 Ų | 53.1 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -5.6 | 178.6 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | F264 I267 R271 F296 F337 S338 | F264-V340 HydrophobicContact CD2-CG2 4.39Å; F264-V340 HydrophobicContact CE2-CG2 4.14Å; I267-V340 HydrophobicContact CB-CG1 4.48Å; I267-V340 HydrophobicContact CD1-CG1 4.22Å; I267-V340 HydrophobicContact CG2-CB 4.24Å; I267-V340 HydrophobicContact CG2-CG1 3.27Å; I267-V340 HydrophobicContact CG2-CG2 3.87Å; R271-V340 VanDerWaalsContact NH2-CG1 3.27Å; R271-V340 PolarHBondContact NH2-O 3.32Å; F296-V340 HydrophobicContact CZ-CG1 4.46Å; F337-V340 CarbonylContact O-C 3.59Å; F337-V340 WeakPolarHBondContact O-CA 3.2Å; F337-V340 PolarHBondContact O-N 3Å; S338-V340 PolarHBondContact O-N 3.2Å |
| 341 | G | 82.1 | Confident | 90.4 | Very high | 66 Ų | 66 | 54.4 Ų | 54.4 | 68% | 0.68 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 22.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F337 S338 | F337-G341 PolarHBondContact O-N 2.88Å; S338-G341 PolarHBondContact O-N 3.13Å |
| 342 | A | 87.2 | Confident | 90.3 | Very high | 21 Ų | 21 | 51.8 Ų | 51.8 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | trans | -121.5 | 52 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V300 F337 F344 | V300-A342 HydrophobicContact CG1-CB 3.72Å; F337-A342 HydrophobicContact CB-CB 4.39Å; F337-A342 WeakPolarHBondContact CB-O 3.45Å; F337-A342 HydrophobicContact CD1-CB 4.26Å; F337-A342 PolarHBondContact O-N 2.94Å; A342-F344 WeakPolarHBondContact O-CD1 3.44Å; A342-F344 PolarHBondContact O-N 3.44Å | ||
| 343 | D | 91.6 | Very high | 90 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 39% | 0.385 | 28% | 0.277 | S | S | . | . | trans | -75.1 | 115.5 | 176.9 | -167.2 | -17.6 | 0 | 0 | 0 | 110.8 | R345 | D343-R345 VanDerWaalsContact OD1-CB 3.31Å; D343-R345 WeakPolarHBondContact OD1-CB 3.49Å; D343-R345 VanDerWaalsContact OD1-CG 3.26Å; D343-R345 WeakPolarHBondContact OD1-CG 3.47Å; D343-R345 PolarHBondContact OD1-N 3.44Å; D343-R345 IonicContact OD1-NE 3.63Å; D343-R345 PolarHBondContact OD1-NE 3.38Å; D343-R345 VanDerWaalsContact OD1-NE 3.09Å; D343-R345 IonicContact OD2-CZ 3.5Å; D343-R345 VanDerWaalsContact OD2-CZ 3.31Å; D343-R345 IonicContact OD2-NE 3.52Å; D343-R345 PolarHBondContact OD2-NE 3.05Å; D343-R345 VanDerWaalsContact OD2-NE 3.08Å; D343-R345 IonicContact OD2-NH2 3.97Å; D343-R345 PolarHBondContact OD2-NH2 3.15Å | ||
| 344 | F | 93.8 | Very high | 89.8 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | trans | -112.3 | 11.6 | 179.1 | 59.7 | -94.8 | 0 | 0 | 0 | 113.4 | V304 F307 L308 F333 G334 F337 A342 G346 Q347 L348 | V304-F344 HydrophobicContact CG1-CB 3.62Å; V304-F344 HydrophobicContact CG1-CD1 3.71Å; V304-F344 HydrophobicContact CG1-CD2 4.32Å; V304-F344 HydrophobicContact CG1-CE1 4.47Å; V304-F344 HydrophobicContact CG1-CG 3.62Å; V304-F344 HydrophobicContact CG2-CD1 3.93Å; V304-F344 HydrophobicContact CG2-CE1 4.28Å; F307-F344 HydrophobicContact CD1-CE2 4.33Å; F307-F344 AromaticContact CE1-CE2 3.99Å; F307-F344 HydrophobicContact CE1-CE2 3.99Å; F307-F344 HydrophobicContact CE1-CZ 4.42Å; L308-F344 HydrophobicContact CD2-CD2 4.35Å; F333-F344 HydrophobicContact CB-CZ 4.46Å; F333-F344 HydrophobicContact CD1-CE2 4.29Å; F333-F344 AromaticContact CD1-CZ 3.57Å; F333-F344 HydrophobicContact CD1-CZ 3.57Å; F333-F344 HydrophobicContact CD2-CE1 4.43Å; F333-F344 HydrophobicContact CD2-CZ 4.07Å; F333-F344 HydrophobicContact CE1-CE1 4.35Å; F333-F344 HydrophobicContact CE1-CE2 4.46Å; F333-F344 AromaticContact CE1-CZ 3.64Å; F333-F344 HydrophobicContact CE1-CZ 3.64Å; F333-F344 HydrophobicContact CE2-CE1 4.24Å; F333-F344 HydrophobicContact CE2-CZ 4.13Å; F333-F344 AromaticContact CG-CZ 3.78Å; F333-F344 HydrophobicContact CG-CZ 3.78Å; F333-F344 HydrophobicContact CZ-CE1 4.2Å; F333-F344 AromaticContact CZ-CZ 3.93Å; F333-F344 HydrophobicContact CZ-CZ 3.93Å; G334-F344 VanDerWaalsContact CA-CZ 3.47Å; F337-F344 HydrophobicContact CB-CE1 4.33Å; F337-F344 HydrophobicContact CG-CE1 4.47Å; A342-F344 WeakPolarHBondContact O-CD1 3.44Å; A342-F344 PolarHBondContact O-N 3.44Å; F344-G346 PolarHBondContact O-N 2.98Å; F344-G346 VanDerWaalsContact O-N 3.16Å; F344-Q347 WeakPolarHBondContact O-CB 3.44Å; F344-Q347 PolarHBondContact O-N 2.9Å; F344-L348 HydrophobicContact CD2-CD1 4.17Å; F344-L348 HydrophobicContact CD2-CD2 4.17Å; F344-L348 HydrophobicContact CD2-CG 4.03Å; F344-L348 HydrophobicContact CE2-CD1 3.99Å; F344-L348 HydrophobicContact CE2-CD2 4.12Å; F344-L348 HydrophobicContact CE2-CG 4.21Å | ||
| 345 | R | 93.2 | Very high | 89.7 | Confident | 88 Ų | 88 | 52.9 Ų | 52.9 | 33% | 0.332 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58 | -32.2 | -178.4 | -69.6 | 180 | -67.5 | 165.8 | -0.2 | 113.3 | M331 D343 Q347 L348 | M331-R345 WeakPolarHBondContact O-CD 3.47Å; M331-R345 HydrophobicContact SD-CB 3.76Å; M331-R345 HydrophobicContact SD-CG 3.72Å; D343-R345 VanDerWaalsContact OD1-CB 3.31Å; D343-R345 WeakPolarHBondContact OD1-CB 3.49Å; D343-R345 VanDerWaalsContact OD1-CG 3.26Å; D343-R345 WeakPolarHBondContact OD1-CG 3.47Å; D343-R345 PolarHBondContact OD1-N 3.44Å; D343-R345 IonicContact OD1-NE 3.63Å; D343-R345 PolarHBondContact OD1-NE 3.38Å; D343-R345 VanDerWaalsContact OD1-NE 3.09Å; D343-R345 IonicContact OD2-CZ 3.5Å; D343-R345 VanDerWaalsContact OD2-CZ 3.31Å; D343-R345 IonicContact OD2-NE 3.52Å; D343-R345 PolarHBondContact OD2-NE 3.05Å; D343-R345 VanDerWaalsContact OD2-NE 3.08Å; D343-R345 IonicContact OD2-NH2 3.97Å; D343-R345 PolarHBondContact OD2-NH2 3.15Å; R345-Q347 PolarHBondContact O-N 3.39Å; R345-L348 HydrophobicContact CG-CD1 4.5Å; R345-L348 PolarHBondContact O-N 3.25Å; R345-L348 VanDerWaalsContact O-N 3.14Å |
| 346 | G | 90.5 | Very high | 89.6 | Confident | 68 Ų | 68 | 49.6 Ų | 49.6 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.6 | -26.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | F344 P350 | F344-G346 PolarHBondContact O-N 2.98Å; F344-G346 VanDerWaalsContact O-N 3.16Å; G346-P350 WeakPolarHBondContact O-CD 3.23Å |
| 347 | Q | 92.9 | Very high | 89.6 | Confident | 115 Ų | 115 | 50 Ų | 50 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -87.6 | -18.2 | 178 | -61.3 | -178.7 | 59.9 | 0 | 0 | 112.9 | L308 F344 R345 | L308-Q347 HydrophobicContact CD1-CB 3.9Å; L308-Q347 HydrophobicContact CD1-CG 4.49Å; L308-Q347 VanDerWaalsContact CD1-OE1 3.25Å; F344-Q347 WeakPolarHBondContact O-CB 3.44Å; F344-Q347 PolarHBondContact O-N 2.9Å; R345-Q347 PolarHBondContact O-N 3.39Å |
| 348 | L | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -73.5 | -42 | 177.9 | -64 | 173.9 | 0 | 0 | 0 | 111.7 | F307 L308 L311 C330 M331 F344 R345 L351 F352 | F307-L348 HydrophobicContact CE1-CD2 4.42Å; L308-L348 HydrophobicContact CD2-CD2 3.63Å; L311-L348 HydrophobicContact CD2-CD2 3.55Å; C330-L348 HydrophobicContact CB-CD1 3.76Å; C330-L348 HydrophobicContact CB-CD2 4.11Å; C330-L348 WeakPolarHBondContact O-CD1 3.35Å; M331-L348 HydrophobicContact CE-CB 4.22Å; M331-L348 HydrophobicContact SD-CD1 4.21Å; F344-L348 HydrophobicContact CD2-CD1 4.17Å; F344-L348 HydrophobicContact CD2-CD2 4.17Å; F344-L348 HydrophobicContact CD2-CG 4.03Å; F344-L348 HydrophobicContact CE2-CD1 3.99Å; F344-L348 HydrophobicContact CE2-CD2 4.12Å; F344-L348 HydrophobicContact CE2-CG 4.21Å; R345-L348 HydrophobicContact CG-CD1 4.5Å; R345-L348 PolarHBondContact O-N 3.25Å; R345-L348 VanDerWaalsContact O-N 3.14Å; L348-L351 WeakPolarHBondContact O-CB 3.4Å; L348-L351 PolarHBondContact O-N 3.48Å; L348-L351 VanDerWaalsContact O-N 3.09Å; L348-F352 HydrophobicContact CB-CD2 4.43Å; L348-F352 HydrophobicContact CB-CE2 4.48Å; L348-F352 HydrophobicContact CD2-CE2 4.46Å; L348-F352 WeakPolarHBondContact O-CD2 3.43Å; L348-F352 PolarHBondContact O-N 3.18Å |
| 349 | A | 89.2 | Confident | 89.8 | Confident | 43 Ų | 43 | 55 Ų | 55 | 36% | 0.355 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.6 | -46 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L351 F352 Q353 | A349-L351 VanDerWaalsContact C-N 3.33Å; A349-L351 PolarHBondContact O-N 2.95Å; A349-F352 PolarHBondContact O-N 3.37Å; A349-Q353 VanDerWaalsContact O-CB 3.25Å; A349-Q353 WeakPolarHBondContact O-CB 3.29Å; A349-Q353 PolarHBondContact O-N 3.22Å |
| 350 | P | 90.4 | Very high | 90.3 | Very high | 77 Ų | 77 | 45 Ų | 45 | 50% | 0.5 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 177 | -23.8 | 35 | 0 | 0 | 0 | 113.9 | G346 Q353 Q354 | G346-P350 WeakPolarHBondContact O-CD 3.23Å; P350-Q353 PolarHBondContact O-N 2.96Å; P350-Q354 WeakPolarHBondContact O-CB 3.34Å; P350-Q354 PolarHBondContact O-N 3.48Å |
| 351 | L | 92.6 | Very high | 91 | Very high | 27 Ų | 27 | 48.2 Ų | 48.2 | 14% | 0.141 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.4 | -48.1 | -178.7 | -62.2 | 176.3 | 0 | 0 | 0 | 111.4 | L308 L311 E312 L315 L348 A349 V355 | L308-L351 HydrophobicContact CD2-CD1 4.06Å; L311-L351 HydrophobicContact CD2-CD1 4.1Å; E312-L351 HydrophobicContact CB-CD2 4.12Å; E312-L351 HydrophobicContact CG-CD2 4.06Å; L315-L351 HydrophobicContact CD1-CB 4.12Å; L348-L351 WeakPolarHBondContact O-CB 3.4Å; L348-L351 PolarHBondContact O-N 3.48Å; L348-L351 VanDerWaalsContact O-N 3.09Å; A349-L351 VanDerWaalsContact C-N 3.33Å; A349-L351 PolarHBondContact O-N 2.95Å; L351-V355 VanDerWaalsContact O-CG2 3.27Å; L351-V355 WeakPolarHBondContact O-CG2 3.44Å; L351-V355 PolarHBondContact O-N 2.98Å |
| 352 | F | 92.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.6 | -36.3 | 178.6 | -75.7 | -90.2 | 0 | 0 | 0 | 112.1 | L311 L315 L323 L326 L327 C330 L348 A349 Q354 V355 A356 | L311-F352 HydrophobicContact CD1-CE2 4.43Å; L311-F352 HydrophobicContact CD1-CZ 4.1Å; L311-F352 HydrophobicContact CD2-CE2 3.96Å; L311-F352 HydrophobicContact CD2-CZ 4.42Å; L315-F352 HydrophobicContact CD1-CE1 4.48Å; L315-F352 HydrophobicContact CD1-CE2 4.48Å; L315-F352 HydrophobicContact CD1-CZ 4.44Å; L315-F352 HydrophobicContact CD2-CD1 4.32Å; L315-F352 HydrophobicContact CD2-CE1 4Å; L323-F352 HydrophobicContact CD1-CD1 3.51Å; L323-F352 HydrophobicContact CD1-CE1 3.76Å; L323-F352 HydrophobicContact CD2-CD1 4.43Å; L323-F352 HydrophobicContact CG-CD1 3.8Å; L323-F352 HydrophobicContact CG-CE1 4.33Å; L326-F352 HydrophobicContact CB-CE1 4.29Å; L326-F352 HydrophobicContact CD2-CE1 4.14Å; L326-F352 HydrophobicContact CD2-CZ 4.35Å; L326-F352 HydrophobicContact CG-CE1 4Å; L326-F352 HydrophobicContact CG-CZ 4.02Å; L327-F352 HydrophobicContact CB-CD1 3.87Å; L327-F352 HydrophobicContact CB-CE1 3.82Å; L327-F352 HydrophobicContact CB-CG 4.3Å; L327-F352 HydrophobicContact CB-CZ 4.2Å; L327-F352 HydrophobicContact CD1-CB 4.25Å; L327-F352 HydrophobicContact CD1-CD1 4.21Å; L327-F352 HydrophobicContact CD1-CD2 3.57Å; L327-F352 HydrophobicContact CD1-CE1 4.48Å; L327-F352 HydrophobicContact CD1-CE2 3.87Å; L327-F352 HydrophobicContact CD1-CG 3.75Å; L327-F352 HydrophobicContact CD1-CZ 4.33Å; L327-F352 HydrophobicContact CG-CG 4.47Å; C330-F352 HydrophobicContact CB-CE2 4.24Å; C330-F352 HydrophobicContact CB-CZ 4.29Å; L348-F352 HydrophobicContact CB-CD2 4.43Å; L348-F352 HydrophobicContact CB-CE2 4.48Å; L348-F352 HydrophobicContact CD2-CE2 4.46Å; L348-F352 WeakPolarHBondContact O-CD2 3.43Å; L348-F352 PolarHBondContact O-N 3.18Å; A349-F352 PolarHBondContact O-N 3.37Å; F352-Q354 VanDerWaalsContact C-N 3.35Å; F352-Q354 PolarHBondContact O-N 2.87Å; F352-V355 PolarHBondContact O-N 3.02Å; F352-A356 WeakPolarHBondContact O-CB 3.46Å; F352-A356 PolarHBondContact O-N 2.99Å |
| 353 | Q | 89.7 | Confident | 91.9 | Very high | 48 Ų | 48 | 48.4 Ų | 48.4 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 175.7 | 179.8 | 171.8 | -21.4 | 0 | 0 | 111.6 | A349 P350 V355 A356 L357 P434 A437 | A349-Q353 VanDerWaalsContact O-CB 3.25Å; A349-Q353 WeakPolarHBondContact O-CB 3.29Å; A349-Q353 PolarHBondContact O-N 3.22Å; P350-Q353 PolarHBondContact O-N 2.96Å; Q353-V355 PolarHBondContact O-N 3.31Å; Q353-A356 PolarHBondContact O-N 3.01Å; Q353-L357 WeakPolarHBondContact O-CB 3.34Å; Q353-L357 PolarHBondContact O-N 3.23Å; Q353-P434 HydrophobicContact CB-CG 3.79Å; Q353-P434 HydrophobicContact CG-CG 3.56Å; Q353-A437 HydrophobicContact CG-CB 4.14Å |
| 354 | Q | 90.3 | Very high | 92 | Very high | 82 Ų | 82 | 45 Ų | 45 | 38% | 0.383 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.9 | -47.7 | -179.3 | -178.8 | 176.9 | -9.6 | 0 | 0 | 111.2 | P350 F352 A356 L357 E358 | P350-Q354 WeakPolarHBondContact O-CB 3.34Å; P350-Q354 PolarHBondContact O-N 3.48Å; F352-Q354 VanDerWaalsContact C-N 3.35Å; F352-Q354 PolarHBondContact O-N 2.87Å; Q354-A356 PolarHBondContact O-N 3.17Å; Q354-L357 PolarHBondContact O-N 3.04Å; Q354-E358 VanDerWaalsContact CG-OE1 3.3Å; Q354-E358 WeakPolarHBondContact CG-OE1 3.4Å; Q354-E358 PolarHBondContact NE2-OE1 3.38Å; Q354-E358 WeakPolarHBondContact O-CG 3.37Å; Q354-E358 PolarHBondContact O-N 2.98Å |
| 355 | V | 91.6 | Very high | 92.1 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 16% | 0.158 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66 | -41.6 | -178.5 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | L315 L323 L351 F352 Q353 L357 E358 A359 | L315-V355 HydrophobicContact CB-CG2 3.74Å; L315-V355 HydrophobicContact CD1-CG2 4.29Å; L315-V355 HydrophobicContact CG-CG2 4.4Å; L323-V355 HydrophobicContact CD1-CG1 4.46Å; L323-V355 HydrophobicContact CD2-CG1 4.49Å; L351-V355 VanDerWaalsContact O-CG2 3.27Å; L351-V355 WeakPolarHBondContact O-CG2 3.44Å; L351-V355 PolarHBondContact O-N 2.98Å; F352-V355 PolarHBondContact O-N 3.02Å; Q353-V355 PolarHBondContact O-N 3.31Å; V355-L357 VanDerWaalsContact C-N 3.33Å; V355-L357 PolarHBondContact O-N 3.13Å; V355-E358 PolarHBondContact O-N 3.34Å; V355-A359 VanDerWaalsContact O-CB 3.32Å; V355-A359 WeakPolarHBondContact O-CB 3.36Å; V355-A359 PolarHBondContact O-N 3.4Å |
| 356 | A | 90.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L323 F352 Q353 Q354 F360 L429 C432 | L323-A356 HydrophobicContact CD2-CB 3.97Å; F352-A356 WeakPolarHBondContact O-CB 3.46Å; F352-A356 PolarHBondContact O-N 2.99Å; Q353-A356 PolarHBondContact O-N 3.01Å; Q354-A356 PolarHBondContact O-N 3.17Å; A356-F360 VanDerWaalsContact O-CB 3.3Å; A356-F360 WeakPolarHBondContact O-CB 3.49Å; A356-F360 PolarHBondContact O-N 2.96Å; A356-L429 HydrophobicContact CB-CD1 4.16Å; A356-C432 HydrophobicContact CB-CB 4.28Å |
| 357 | L | 90.8 | Very high | 92.5 | Very high | 28 Ų | 28 | 47.7 Ų | 47.7 | 15% | 0.147 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 177.3 | -177.4 | 66.3 | 0 | 0 | 0 | 111.8 | Q353 Q354 V355 F360 Q361 D440 V441 | Q353-L357 WeakPolarHBondContact O-CB 3.34Å; Q353-L357 PolarHBondContact O-N 3.23Å; Q354-L357 PolarHBondContact O-N 3.04Å; V355-L357 VanDerWaalsContact C-N 3.33Å; V355-L357 PolarHBondContact O-N 3.13Å; L357-F360 PolarHBondContact O-N 3.05Å; L357-Q361 WeakPolarHBondContact O-CB 3.47Å; L357-Q361 WeakPolarHBondContact O-CG 3.46Å; L357-Q361 PolarHBondContact O-N 3.41Å; L357-D440 HydrophobicContact CD1-CB 3.8Å; L357-D440 HydrophobicContact CD2-CB 3.69Å; L357-D440 HydrophobicContact CG-CB 4.43Å; L357-V441 HydrophobicContact CD1-CG2 3.99Å |
| 358 | E | 91.5 | Very high | 92.5 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 42% | 0.421 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 176.7 | -74.2 | 173.1 | -169.8 | 0 | 0 | 111.2 | Q354 V355 Q361 A362 | Q354-E358 VanDerWaalsContact CG-OE1 3.3Å; Q354-E358 WeakPolarHBondContact CG-OE1 3.4Å; Q354-E358 PolarHBondContact NE2-OE1 3.38Å; Q354-E358 WeakPolarHBondContact O-CG 3.37Å; Q354-E358 PolarHBondContact O-N 2.98Å; V355-E358 PolarHBondContact O-N 3.34Å; E358-Q361 PolarHBondContact O-N 3.3Å; E358-A362 WeakPolarHBondContact O-CB 3.23Å; E358-A362 PolarHBondContact O-N 3.2Å |
| 359 | A | 90.8 | Very high | 92.6 | Very high | 61 Ų | 61 | 43.7 Ų | 43.7 | 50% | 0.504 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V355 A362 A363 | V355-A359 VanDerWaalsContact O-CB 3.32Å; V355-A359 WeakPolarHBondContact O-CB 3.36Å; V355-A359 PolarHBondContact O-N 3.4Å; A359-A362 PolarHBondContact O-N 3.3Å; A359-A363 WeakPolarHBondContact O-CB 3.49Å; A359-A363 PolarHBondContact O-N 3.35Å |
| 360 | F | 92.8 | Very high | 92.8 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 2% | 0.022 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 176.2 | 179.2 | -107.2 | 0 | 0 | 0 | 111.7 | A356 L357 A362 A363 L364 A425 F426 L429 V441 | A356-F360 VanDerWaalsContact O-CB 3.3Å; A356-F360 WeakPolarHBondContact O-CB 3.49Å; A356-F360 PolarHBondContact O-N 2.96Å; L357-F360 PolarHBondContact O-N 3.05Å; F360-A362 VanDerWaalsContact C-N 3.34Å; F360-A362 PolarHBondContact O-N 2.95Å; F360-A363 PolarHBondContact O-N 2.93Å; F360-L364 HydrophobicContact CD1-CD1 3.93Å; F360-L364 HydrophobicContact CD1-CG 4.28Å; F360-L364 HydrophobicContact CE1-CD1 3.33Å; F360-L364 HydrophobicContact CE1-CD2 4.38Å; F360-L364 HydrophobicContact CE1-CG 3.9Å; F360-L364 HydrophobicContact CE2-CD1 4.44Å; F360-L364 HydrophobicContact CE2-CD2 4.07Å; F360-L364 HydrophobicContact CE2-CG 4.18Å; F360-L364 HydrophobicContact CZ-CD1 3.62Å; F360-L364 HydrophobicContact CZ-CD2 3.83Å; F360-L364 HydrophobicContact CZ-CG 3.84Å; F360-L364 WeakPolarHBondContact O-CG 3.35Å; F360-L364 PolarHBondContact O-N 3.18Å; F360-A425 HydrophobicContact CD2-CB 3.86Å; F360-A425 HydrophobicContact CE2-CB 3.85Å; F360-F426 AromaticContact CE2-CD1 3.64Å; F360-F426 HydrophobicContact CE2-CD1 3.64Å; F360-F426 AromaticContact CE2-CE1 3.86Å; F360-F426 HydrophobicContact CE2-CE1 3.86Å; F360-F426 AromaticContact CZ-CD1 3.99Å; F360-F426 HydrophobicContact CZ-CD1 3.99Å; F360-F426 AromaticContact CZ-CE1 3.7Å; F360-F426 HydrophobicContact CZ-CE1 3.7Å; F360-L429 HydrophobicContact CB-CD1 4.4Å; F360-L429 HydrophobicContact CD1-CD2 4.45Å; F360-L429 HydrophobicContact CD2-CB 4.15Å; F360-L429 HydrophobicContact CD2-CD2 3.89Å; F360-L429 HydrophobicContact CE2-CD2 4.15Å; F360-L429 HydrophobicContact CG-CD2 4.06Å; F360-V441 HydrophobicContact CD1-CG1 4.26Å; F360-V441 HydrophobicContact CD1-CG2 4.42Å; F360-V441 HydrophobicContact CE1-CB 4.34Å; F360-V441 HydrophobicContact CE1-CG1 3.64Å; F360-V441 HydrophobicContact CZ-CG1 3.92Å |
| 361 | Q | 94.2 | Very high | 93 | Very high | 79 Ų | 79 | 43.2 Ų | 43.2 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 176.6 | -74.8 | 175.1 | -7.6 | 0 | 0 | 111.9 | L357 E358 L364 Q365 S444 | L357-Q361 WeakPolarHBondContact O-CB 3.47Å; L357-Q361 WeakPolarHBondContact O-CG 3.46Å; L357-Q361 PolarHBondContact O-N 3.41Å; E358-Q361 PolarHBondContact O-N 3.3Å; Q361-L364 PolarHBondContact O-N 2.97Å; Q361-Q365 WeakPolarHBondContact O-CG 3.45Å; Q361-Q365 PolarHBondContact O-N 3.11Å; Q361-S444 WeakPolarHBondContact CG-OG 3.42Å; Q361-S444 PolarHBondContact NE2-OG 3.28Å |
| 362 | A | 93.6 | Very high | 93 | Very high | 61 Ų | 61 | 46.5 Ų | 46.5 | 50% | 0.504 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E358 A359 F360 L364 Q365 E366 | E358-A362 WeakPolarHBondContact O-CB 3.23Å; E358-A362 PolarHBondContact O-N 3.2Å; A359-A362 PolarHBondContact O-N 3.3Å; F360-A362 VanDerWaalsContact C-N 3.34Å; F360-A362 PolarHBondContact O-N 2.95Å; A362-L364 VanDerWaalsContact C-N 3.34Å; A362-L364 PolarHBondContact O-N 3.33Å; A362-Q365 PolarHBondContact O-N 2.96Å; A362-E366 PolarHBondContact O-N 2.89Å |
| 363 | A | 93.8 | Very high | 93 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 24% | 0.24 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A359 F360 E366 A367 A425 | A359-A363 WeakPolarHBondContact O-CB 3.49Å; A359-A363 PolarHBondContact O-N 3.35Å; F360-A363 PolarHBondContact O-N 2.93Å; A363-E366 PolarHBondContact O-N 3.12Å; A363-A367 WeakPolarHBondContact O-CB 3.46Å; A363-A367 PolarHBondContact O-N 2.93Å; A363-A425 HydrophobicContact CB-CB 3.79Å |
| 364 | L | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 175.2 | -69.1 | -173.6 | 0 | 0 | 0 | 112.6 | F360 Q361 A362 A367 A368 I422 S444 L445 V448 | F360-L364 HydrophobicContact CD1-CD1 3.93Å; F360-L364 HydrophobicContact CD1-CG 4.28Å; F360-L364 HydrophobicContact CE1-CD1 3.33Å; F360-L364 HydrophobicContact CE1-CD2 4.38Å; F360-L364 HydrophobicContact CE1-CG 3.9Å; F360-L364 HydrophobicContact CE2-CD1 4.44Å; F360-L364 HydrophobicContact CE2-CD2 4.07Å; F360-L364 HydrophobicContact CE2-CG 4.18Å; F360-L364 HydrophobicContact CZ-CD1 3.62Å; F360-L364 HydrophobicContact CZ-CD2 3.83Å; F360-L364 HydrophobicContact CZ-CG 3.84Å; F360-L364 WeakPolarHBondContact O-CG 3.35Å; F360-L364 PolarHBondContact O-N 3.18Å; Q361-L364 PolarHBondContact O-N 2.97Å; A362-L364 VanDerWaalsContact C-N 3.34Å; A362-L364 PolarHBondContact O-N 3.33Å; L364-A367 WeakPolarHBondContact O-CB 3.36Å; L364-A367 PolarHBondContact O-N 3.48Å; L364-A368 PolarHBondContact O-N 2.77Å; L364-I422 HydrophobicContact CD2-CD1 3.29Å; L364-S444 WeakPolarHBondContact CD1-O 3.36Å; L364-L445 HydrophobicContact CD1-CB 4.46Å; L364-L445 HydrophobicContact CD2-CD1 4.05Å; L364-V448 HydrophobicContact CB-CB 4.23Å; L364-V448 HydrophobicContact CB-CG1 4.23Å; L364-V448 HydrophobicContact CB-CG2 3.51Å; L364-V448 HydrophobicContact CD1-CB 4.43Å; L364-V448 HydrophobicContact CD1-CG2 4.07Å; L364-V448 HydrophobicContact CG-CG2 4.4Å |
| 365 | Q | 95.3 | Very high | 93 | Very high | 112 Ų | 112 | 47.6 Ų | 47.6 | 52% | 0.523 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 176.4 | -68.3 | -61.6 | -27.2 | 0 | 0 | 111.4 | Q361 A362 A368 G369 | Q361-Q365 WeakPolarHBondContact O-CG 3.45Å; Q361-Q365 PolarHBondContact O-N 3.11Å; A362-Q365 PolarHBondContact O-N 2.96Å; Q365-A368 PolarHBondContact O-N 3.04Å; Q365-G369 PolarHBondContact O-N 3.47Å |
| 366 | E | 95.3 | Very high | 92.8 | Very high | 104 Ų | 104 | 52.2 Ų | 52.2 | 49% | 0.486 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 172.8 | -173.4 | 178.9 | 179.6 | 0 | 0 | 111.6 | A362 A363 A368 G369 R370 | A362-E366 PolarHBondContact O-N 2.89Å; A363-E366 PolarHBondContact O-N 3.12Å; E366-A368 VanDerWaalsContact C-N 3.34Å; E366-A368 PolarHBondContact O-N 3.05Å; E366-G369 PolarHBondContact O-N 2.88Å; E366-R370 WeakPolarHBondContact O-CG 3.4Å; E366-R370 PolarHBondContact O-N 3.4Å; E366-R370 IonicContact OE1-CZ 3.09Å; E366-R370 VanDerWaalsContact OE1-CZ 3.23Å; E366-R370 IonicContact OE1-NE 2.7Å; E366-R370 PolarHBondContact OE1-NE 3.31Å; E366-R370 IonicContact OE1-NH2 3.31Å; E366-R370 PolarHBondContact OE1-NH2 3.4Å |
| 367 | A | 95.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A363 L364 F371 F418 H421 I422 | A363-A367 WeakPolarHBondContact O-CB 3.46Å; A363-A367 PolarHBondContact O-N 2.93Å; L364-A367 WeakPolarHBondContact O-CB 3.36Å; L364-A367 PolarHBondContact O-N 3.48Å; A367-F371 WeakPolarHBondContact O-CB 3.47Å; A367-F371 PolarHBondContact O-N 3.47Å; A367-F418 HydrophobicContact CB-CD2 4.11Å; A367-F418 HydrophobicContact CB-CE2 3.99Å; A367-H421 HydrophobicContact CB-CB 3.6Å; A367-I422 HydrophobicContact CB-CD1 4.04Å |
| 368 | A | 94.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L364 Q365 E366 F371 Q372 V448 | L364-A368 PolarHBondContact O-N 2.77Å; Q365-A368 PolarHBondContact O-N 3.04Å; E366-A368 VanDerWaalsContact C-N 3.34Å; E366-A368 PolarHBondContact O-N 3.05Å; A368-F371 PolarHBondContact O-N 3.03Å; A368-Q372 PolarHBondContact O-N 3.39Å; A368-V448 HydrophobicContact CB-CG1 4.26Å |
| 369 | G | 94.6 | Very high | 91.7 | Very high | 29 Ų | 29 | 61.1 Ų | 61.1 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q365 E366 F371 Q372 E373 | Q365-G369 PolarHBondContact O-N 3.47Å; E366-G369 PolarHBondContact O-N 2.88Å; G369-F371 VanDerWaalsContact C-N 3.34Å; G369-F371 PolarHBondContact O-N 3.47Å; G369-Q372 WeakPolarHBondContact O-CB 3.36Å; G369-Q372 PolarHBondContact O-N 3.03Å; G369-Q372 VanDerWaalsContact O-N 3.16Å; G369-E373 PolarHBondContact O-N 2.82Å |
| 370 | R | 92.8 | Very high | 90.9 | Very high | 108 Ų | 108 | 58.5 Ų | 58.5 | 41% | 0.408 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 175.1 | -70.4 | -178.4 | -176.3 | -158.4 | 0 | 111.8 | E366 Q372 E373 D374 H421 | E366-R370 WeakPolarHBondContact O-CG 3.4Å; E366-R370 PolarHBondContact O-N 3.4Å; E366-R370 IonicContact OE1-CZ 3.09Å; E366-R370 VanDerWaalsContact OE1-CZ 3.23Å; E366-R370 IonicContact OE1-NE 2.7Å; E366-R370 PolarHBondContact OE1-NE 3.31Å; E366-R370 IonicContact OE1-NH2 3.31Å; E366-R370 PolarHBondContact OE1-NH2 3.4Å; R370-Q372 VanDerWaalsContact C-N 3.31Å; R370-Q372 PolarHBondContact O-N 3.23Å; R370-E373 PolarHBondContact O-N 3.1Å; R370-D374 WeakPolarHBondContact O-CB 3.34Å; R370-D374 PolarHBondContact O-N 2.82Å; R370-H421 WeakPolarHBondContact CD-NE2 3.47Å; R370-H421 PolarHBondContact NH1-NE2 2.93Å |
| 371 | F | 94.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 174.3 | -179.9 | -98.2 | 0 | 0 | 0 | 112.2 | A367 A368 G369 D374 M375 P414 L415 F418 V452 I455 I456 F478 | A367-F371 WeakPolarHBondContact O-CB 3.47Å; A367-F371 PolarHBondContact O-N 3.47Å; A368-F371 PolarHBondContact O-N 3.03Å; G369-F371 VanDerWaalsContact C-N 3.34Å; G369-F371 PolarHBondContact O-N 3.47Å; F371-D374 PolarHBondContact O-N 3.04Å; F371-M375 HydrophobicContact CD1-CG 3.97Å; F371-M375 HydrophobicContact CD2-CG 4.45Å; F371-M375 HydrophobicContact CE1-CG 3.48Å; F371-M375 VanDerWaalsContact CE1-CG 3.48Å; F371-M375 HydrophobicContact CE1-SD 4.3Å; F371-M375 HydrophobicContact CE2-CG 4.06Å; F371-M375 HydrophobicContact CE2-SD 4.24Å; F371-M375 HydrophobicContact CG-CG 4.44Å; F371-M375 HydrophobicContact CZ-CG 3.56Å; F371-M375 HydrophobicContact CZ-SD 3.81Å; F371-M375 WeakPolarHBondContact O-CB 3.47Å; F371-M375 VanDerWaalsContact O-CG 3.3Å; F371-M375 WeakPolarHBondContact O-CG 3.26Å; F371-M375 PolarHBondContact O-N 2.97Å; F371-P414 HydrophobicContact CD2-CB 4.06Å; F371-P414 WeakPolarHBondContact CD2-O 3.35Å; F371-P414 HydrophobicContact CE2-CB 3.7Å; F371-L415 HydrophobicContact CE2-CD2 3.96Å; F371-L415 HydrophobicContact CZ-CD2 4.24Å; F371-F418 HydrophobicContact CB-CB 4.36Å; F371-F418 HydrophobicContact CB-CD2 3.96Å; F371-F418 HydrophobicContact CB-CG 4.47Å; F371-F418 HydrophobicContact CD2-CB 3.7Å; F371-F418 HydrophobicContact CD2-CG 4.22Å; F371-F418 HydrophobicContact CE2-CB 4.42Å; F371-F418 HydrophobicContact CG-CB 4.35Å; F371-F418 HydrophobicContact CG-CD2 4.37Å; F371-F418 HydrophobicContact CG-CG 4.5Å; F371-V452 HydrophobicContact CD1-CB 4.46Å; F371-V452 HydrophobicContact CD1-CG1 3.97Å; F371-V452 HydrophobicContact CD1-CG2 4.16Å; F371-V452 HydrophobicContact CE1-CB 4.46Å; F371-V452 HydrophobicContact CE1-CG1 3.63Å; F371-V452 HydrophobicContact CZ-CG1 3.93Å; F371-I455 HydrophobicContact CD1-CB 4.44Å; F371-I455 HydrophobicContact CD1-CD1 4.29Å; F371-I455 HydrophobicContact CD1-CG2 4.05Å; F371-I455 HydrophobicContact CE1-CB 4.3Å; F371-I455 HydrophobicContact CE1-CG2 3.92Å; F371-I456 HydrophobicContact CE1-CG1 3.99Å; F371-I456 HydrophobicContact CZ-CD1 4.21Å; F371-I456 HydrophobicContact CZ-CG1 3.93Å; F371-F478 HydrophobicContact CE2-CZ 4.5Å; F371-F478 HydrophobicContact CZ-CZ 4.18Å |
| 372 | Q | 93.4 | Very high | 87.7 | Confident | 96 Ų | 96 | 60.9 Ų | 60.9 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 175.4 | -170.2 | 176.5 | -2.2 | 0 | 0 | 112.1 | A368 G369 R370 M375 N376 I455 | A368-Q372 PolarHBondContact O-N 3.39Å; G369-Q372 WeakPolarHBondContact O-CB 3.36Å; G369-Q372 PolarHBondContact O-N 3.03Å; G369-Q372 VanDerWaalsContact O-N 3.16Å; R370-Q372 VanDerWaalsContact C-N 3.31Å; R370-Q372 PolarHBondContact O-N 3.23Å; Q372-M375 PolarHBondContact O-N 3.47Å; Q372-N376 PolarHBondContact O-N 3.24Å; Q372-N376 PolarHBondContact O-ND2 3.17Å; Q372-I455 HydrophobicContact CB-CD1 3.91Å; Q372-I455 HydrophobicContact CB-CG2 4.44Å; Q372-I455 HydrophobicContact CG-CD1 4.33Å; Q372-I455 HydrophobicContact CG-CG1 4.42Å; Q372-I455 HydrophobicContact CG-CG2 4.33Å |
| 373 | E | 92.1 | Very high | 85.6 | Confident | 107 Ų | 107 | 63.9 Ų | 63.9 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 174.9 | -69.5 | -177 | -169.5 | 0 | 0 | 112.3 | G369 R370 N376 R377 | G369-E373 PolarHBondContact O-N 2.82Å; R370-E373 PolarHBondContact O-N 3.1Å; E373-N376 PolarHBondContact O-N 3.33Å; E373-R377 PolarHBondContact O-N 2.84Å |
| 374 | D | 90.4 | Very high | 83 | Confident | 50 Ų | 50 | 67.3 Ų | 67.3 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 177.2 | -73.8 | -17.7 | 0 | 0 | 0 | 110.9 | R370 F371 N376 R377 Y378 P414 | R370-D374 WeakPolarHBondContact O-CB 3.34Å; R370-D374 PolarHBondContact O-N 2.82Å; F371-D374 PolarHBondContact O-N 3.04Å; D374-N376 PolarHBondContact O-N 2.85Å; D374-R377 CarbonylContact O-C 3.29Å; D374-R377 PolarHBondContact O-N 3.17Å; D374-Y378 WeakPolarHBondContact O-CB 3.43Å; D374-Y378 PolarHBondContact O-N 3.44Å; D374-P414 HydrophobicContact CB-CB 4.28Å |
| 375 | M | 89.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 175.5 | -75.7 | -59.8 | -59.2 | 0 | 0 | 112.7 | F371 Q372 R377 Y378 P414 I455 F459 F478 | F371-M375 HydrophobicContact CD1-CG 3.97Å; F371-M375 HydrophobicContact CD2-CG 4.45Å; F371-M375 HydrophobicContact CE1-CG 3.48Å; F371-M375 VanDerWaalsContact CE1-CG 3.48Å; F371-M375 HydrophobicContact CE1-SD 4.3Å; F371-M375 HydrophobicContact CE2-CG 4.06Å; F371-M375 HydrophobicContact CE2-SD 4.24Å; F371-M375 HydrophobicContact CG-CG 4.44Å; F371-M375 HydrophobicContact CZ-CG 3.56Å; F371-M375 HydrophobicContact CZ-SD 3.81Å; F371-M375 WeakPolarHBondContact O-CB 3.47Å; F371-M375 VanDerWaalsContact O-CG 3.3Å; F371-M375 WeakPolarHBondContact O-CG 3.26Å; F371-M375 PolarHBondContact O-N 2.97Å; Q372-M375 PolarHBondContact O-N 3.47Å; M375-R377 PolarHBondContact O-N 3.44Å; M375-Y378 HydrophobicContact CE-CD1 4.38Å; M375-Y378 WeakPolarHBondContact O-CB 3.4Å; M375-Y378 PolarHBondContact O-N 3.37Å; M375-Y378 VanDerWaalsContact O-N 3.16Å; M375-Y378 HydrophobicContact SD-CD1 4.39Å; M375-P414 HydrophobicContact CG-CB 4.42Å; M375-P414 HydrophobicContact SD-CB 3.85Å; M375-P414 HydrophobicContact SD-CG 4.04Å; M375-I455 HydrophobicContact CB-CG2 4.23Å; M375-I455 HydrophobicContact CG-CG2 4.18Å; M375-F459 HydrophobicContact CE-CB 3.81Å; M375-F459 HydrophobicContact CE-CD1 3.6Å; M375-F459 HydrophobicContact CE-CD2 3.79Å; M375-F459 HydrophobicContact CE-CE1 4.09Å; M375-F459 HydrophobicContact CE-CE2 4.26Å; M375-F459 HydrophobicContact CE-CG 3.43Å; M375-F459 VanDerWaalsContact CE-CG 3.43Å; M375-F459 HydrophobicContact CE-CZ 4.4Å; M375-F459 VanDerWaalsContact O-CE2 3.29Å; M375-F459 WeakPolarHBondContact O-CE2 3.35Å; M375-F478 HydrophobicContact CE-CZ 4.37Å; M375-F478 HydrophobicContact SD-CE2 4.32Å; M375-F478 HydrophobicContact SD-CZ 3.81Å |
| 376 | N | 87.5 | Confident | 78 | Confident | 123 Ų | 123 | 72.9 Ų | 72.9 | 66% | 0.658 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.8 | -24.6 | 176 | -71.7 | -25.3 | 0 | 0 | 0 | 113.2 | Q372 E373 D374 | Q372-N376 PolarHBondContact O-N 3.24Å; Q372-N376 PolarHBondContact O-ND2 3.17Å; E373-N376 PolarHBondContact O-N 3.33Å; D374-N376 PolarHBondContact O-N 2.85Å |
| 377 | R | 86.6 | Confident | 75.4 | Confident | 188 Ų | 188 | 76 Ų | 76 | 71% | 0.709 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -5.9 | 176.7 | -64.8 | 176.4 | -176.8 | 159.9 | 7.6 | 112.3 | E373 D374 M375 | E373-R377 PolarHBondContact O-N 2.84Å; D374-R377 CarbonylContact O-C 3.29Å; D374-R377 PolarHBondContact O-N 3.17Å; M375-R377 PolarHBondContact O-N 3.44Å |
| 378 | Y | 84.1 | Confident | 72.6 | Confident | 34 Ų | 34 | 79.2 Ų | 79.2 | 13% | 0.133 | 45% | 0.449 | C | S | . | . | trans | -73.1 | 136.7 | -173.6 | -172.9 | -122.3 | 0 | 0 | 0 | 109.8 | D374 M375 L380 P414 F459 F478 | D374-Y378 WeakPolarHBondContact O-CB 3.43Å; D374-Y378 PolarHBondContact O-N 3.44Å; M375-Y378 HydrophobicContact CE-CD1 4.38Å; M375-Y378 WeakPolarHBondContact O-CB 3.4Å; M375-Y378 PolarHBondContact O-N 3.37Å; M375-Y378 VanDerWaalsContact O-N 3.16Å; M375-Y378 HydrophobicContact SD-CD1 4.39Å; Y378-L380 HydrophobicContact CD1-CG 4.47Å; Y378-L380 HydrophobicContact CE1-CD2 3.7Å; Y378-L380 HydrophobicContact CE1-CG 3.89Å; Y378-P414 HydrophobicContact CD1-CG 4.41Å; Y378-P414 HydrophobicContact CD2-CG 3.53Å; Y378-P414 HydrophobicContact CE2-CG 3.99Å; Y378-P414 HydrophobicContact CG-CG 3.79Å; Y378-F459 HydrophobicContact CD1-CZ 4.32Å; Y378-F478 HydrophobicContact CE1-CD2 4.46Å | ||
| 379 | T | 79.6 | Confident | 69.7 | Low | 92 Ų | 92 | 83 Ų | 83 | 56% | 0.564 | 49% | 0.488 | S | S | * | . | trans | -127.6 | 129.8 | 172.5 | -40.7 | 0 | 0 | 0 | 0 | 106.5 | V381 | T379-V381 HydrophobicContact CG2-CG2 3.84Å; T379-V381 PolarHBondContact O-N 2.88Å | ||
| 380 | L | 73.1 | Confident | 66.7 | Low | 6 Ų | 6 | 85.5 Ų | 85.5 | 3% | 0.031 | 51% | 0.505 | C | S | . | . | trans | -73 | 63.3 | -179.6 | -76 | 153.8 | 0 | 0 | 0 | 110.9 | Y378 F459 F467 E471 L474 F475 | Y378-L380 HydrophobicContact CD1-CG 4.47Å; Y378-L380 HydrophobicContact CE1-CD2 3.7Å; Y378-L380 HydrophobicContact CE1-CG 3.89Å; L380-F459 HydrophobicContact CD1-CE1 4.26Å; L380-F467 HydrophobicContact CD1-CD1 4.06Å; L380-F467 HydrophobicContact CD1-CE1 3.33Å; L380-F467 HydrophobicContact CD1-CE2 4.44Å; L380-F467 HydrophobicContact CD1-CZ 3.55Å; L380-E471 HydrophobicContact CB-CB 4.16Å; L380-E471 HydrophobicContact CB-CG 3.98Å; L380-E471 HydrophobicContact CD1-CB 4.38Å; L380-L474 HydrophobicContact CD2-CB 4.06Å; L380-F475 HydrophobicContact CD1-CB 4.11Å; L380-F475 HydrophobicContact CD1-CD2 4.1Å; L380-F475 HydrophobicContact CD2-CB 4.28Å; L380-F475 HydrophobicContact CD2-CD2 4.42Å | ||
| 381 | V | 66.3 | Low | 64 | Low | 101 Ų | 101 | 88.8 Ų | 88.8 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -92.3 | 118.8 | 175.6 | -173.2 | 0 | 0 | 0 | 0 | 107.9 | T379 L383 | T379-V381 HydrophobicContact CG2-CG2 3.84Å; T379-V381 PolarHBondContact O-N 2.88Å; V381-L383 PolarHBondContact O-N 3.12Å |
| 382 | A | 54.1 | Low | 61.2 | Low | 32 Ų | 32 | 92.7 Ų | 92.7 | 26% | 0.264 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 116.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | P384 L474 | A382-P384 WeakPolarHBondContact O-CD 3.42Å; A382-L474 HydrophobicContact CB-CD1 4.06Å |
| 383 | L | 50.2 | Low | 58.3 | Low | 125 Ų | 125 | 93.9 Ų | 93.9 | 65% | 0.654 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 127.2 | 170.9 | -112 | 89.4 | 0 | 0 | 0 | 107.6 | V381 V385 | V381-L383 PolarHBondContact O-N 3.12Å; L383-V385 PolarHBondContact O-N 3.39Å; L383-V385 VanDerWaalsContact O-N 3.11Å |
| 384 | P | 39.3 | Very low | 55.6 | Low | 101 Ų | 101 | 93.3 Ų | 93.3 | 66% | 0.656 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 124.1 | 173.1 | -20.6 | 30.8 | 0 | 0 | 0 | 108.2 | A382 A386 | A382-P384 WeakPolarHBondContact O-CD 3.42Å; P384-A386 HydrophobicContact CB-CB 4.3Å; P384-A386 PolarHBondContact O-N 3.25Å |
| 385 | V | 45.8 | Very low | 53.1 | Low | 139 Ų | 139 | 94.9 Ų | 94.9 | 84% | 0.842 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -54.1 | -1.4 | 173.8 | 177.8 | 0 | 0 | 0 | 0 | 113 | L383 L387 G388 | L383-V385 PolarHBondContact O-N 3.39Å; L383-V385 VanDerWaalsContact O-N 3.11Å; V385-L387 VanDerWaalsContact C-N 3.31Å; V385-L387 PolarHBondContact O-N 2.88Å; V385-G388 PolarHBondContact O-N 3.14Å |
| 386 | A | 38 | Very low | 50.5 | Low | 90 Ų | 90 | 100 Ų | 100 | 74% | 0.744 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -73.5 | -1.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | P384 | P384-A386 HydrophobicContact CB-CB 4.3Å; P384-A386 PolarHBondContact O-N 3.25Å |
| 387 | L | 41.6 | Very low | 48.1 | Very low | 169 Ų | 169 | 97.1 Ų | 97.1 | 89% | 0.885 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -103.4 | 2.1 | 168.4 | -79.7 | 164.5 | 0 | 0 | 0 | 113.8 | V385 G389 | V385-L387 VanDerWaalsContact C-N 3.31Å; V385-L387 PolarHBondContact O-N 2.88Å; L387-G389 PolarHBondContact O-N 3.23Å |
| 388 | G | 36.7 | Very low | 46 | Very low | 69 Ų | 69 | 95.7 Ų | 95.7 | 71% | 0.711 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 21.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | V385 | V385-G388 PolarHBondContact O-N 3.14Š|
| 389 | G | 33.9 | Very low | 43.7 | Very low | 82 Ų | 82 | 100.7 Ų | 100.7 | 85% | 0.845 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 2.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L387 | L387-G389 PolarHBondContact O-N 3.23Š|
| 390 | A | 32.4 | Very low | 41.6 | Very low | 81 Ų | 81 | 102.8 Ų | 102.8 | 67% | 0.669 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -111.9 | 117.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | A392 | A390-A392 VanDerWaalsContact C-N 3.3Å; A390-A392 PolarHBondContact O-N 3.23Å |
| 391 | L | 35.3 | Very low | 40.4 | Very low | 177 Ų | 177 | 106.4 Ų | 106.4 | 93% | 0.927 | 73% | 0.729 | S | S | * | * | trans | -48.2 | 97.9 | 164.5 | -78.5 | 144.5 | 0 | 0 | 0 | 108.3 | ||||
| 392 | A | 34.5 | Very low | 39.9 | Very low | 84 Ų | 84 | 105.1 Ų | 105.1 | 69% | 0.694 | 72% | 0.721 | S | S | * | * | trans | -60.7 | 125.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 105.1 | A390 A394 | A390-A392 VanDerWaalsContact C-N 3.3Å; A390-A392 PolarHBondContact O-N 3.23Å; A392-A394 PolarHBondContact O-N 3.5Å | ||
| 393 | P | 33.6 | Very low | 40.6 | Very low | 120 Ų | 120 | 107.5 Ų | 107.5 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | -56.5 | 131.6 | 176.3 | 24.6 | -31.3 | 0 | 0 | 0 | 107 | A395 | P393-A395 PolarHBondContact O-N 3.07Š| ||
| 394 | A | 35.9 | Very low | 41.9 | Very low | 96 Ų | 96 | 107.2 Ų | 107.2 | 79% | 0.793 | 72% | 0.724 | S | S | * | * | trans | -44.1 | 120.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | A392 | A392-A394 PolarHBondContact O-N 3.5Š| ||
| 395 | A | 37.3 | Very low | 43.9 | Very low | 83 Ų | 83 | 105.6 Ų | 105.6 | 69% | 0.686 | 71% | 0.714 | S | S | * | * | trans | -52.9 | 128.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | P393 G397 | P393-A395 PolarHBondContact O-N 3.07Å; A395-G397 PolarHBondContact O-N 3.24Å | ||
| 396 | P | 34.2 | Very low | 45.6 | Very low | 107 Ų | 107 | 100.2 Ų | 100.2 | 70% | 0.695 | 68% | 0.682 | S | S | * | * | trans | -56.3 | 135.3 | 175.3 | 23.3 | -30.1 | 0 | 0 | 0 | 107.5 | I398 | P396-I398 PolarHBondContact O-N 3.09Š| ||
| 397 | G | 37.6 | Very low | 47.5 | Very low | 64 Ų | 64 | 101 Ų | 101 | 66% | 0.66 | 68% | 0.678 | S | S | * | * | trans | -45.3 | 139.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A395 Q399 | A395-G397 PolarHBondContact O-N 3.24Å; G397-Q399 PolarHBondContact O-N 3.22Å | ||
| 398 | I | 41.9 | Very low | 49.4 | Very low | 157 Ų | 157 | 95.6 Ų | 95.6 | 81% | 0.805 | 65% | 0.651 | S | S | * | * | trans | -44.2 | 103.6 | 177 | -61.9 | 163 | 0 | 0 | 0 | 108.1 | P396 | P396-I398 PolarHBondContact O-N 3.09Š| ||
| 399 | Q | 37 | Very low | 51.5 | Low | 140 Ų | 140 | 92.4 Ų | 92.4 | 65% | 0.654 | 62% | 0.618 | S | S | * | * | trans | -73.4 | 128.3 | 169.4 | -70 | -158.4 | -1 | 0 | 0 | 107.1 | G397 G401 T402 | G397-Q399 PolarHBondContact O-N 3.22Å; Q399-G401 PolarHBondContact O-N 3.18Å; Q399-T402 PolarHBondContact O-N 2.9Å; Q399-T402 PolarHBondContact O-OG1 2.91Å | ||
| 400 | P | 35.3 | Very low | 53.9 | Low | 136 Ų | 136 | 94.3 Ų | 94.3 | 88% | 0.883 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 105.3 | 175.1 | 23.3 | -29.6 | 0 | 0 | 0 | 108.4 | ||
| 401 | G | 47.6 | Very low | 56.2 | Low | 82 Ų | 82 | 95.4 Ų | 95.4 | 85% | 0.845 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.9 | -14.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q399 | Q399-G401 PolarHBondContact O-N 3.18Š|
| 402 | T | 55.5 | Low | 58.7 | Low | 74 Ų | 74 | 87.6 Ų | 87.6 | 45% | 0.454 | 56% | 0.561 | S | S | . | * | trans | -96.4 | 112.7 | 176.5 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | Q399 Q404 | Q399-T402 PolarHBondContact O-N 2.9Å; Q399-T402 PolarHBondContact O-OG1 2.91Å; T402-Q404 VanDerWaalsContact C-N 3.29Å; T402-Q404 PolarHBondContact O-N 3.4Å | ||
| 403 | L | 69.8 | Low | 61.2 | Low | 81 Ų | 81 | 86.6 Ų | 86.6 | 42% | 0.424 | 55% | 0.548 | S | S | . | . | trans | -71.4 | 81.7 | 171 | -87.2 | 161.8 | 0 | 0 | 0 | 109.6 | F489 R492 V496 | L403-F489 HydrophobicContact CD2-CE2 3.98Å; L403-F489 HydrophobicContact CD2-CZ 4.44Å; L403-R492 HydrophobicContact CD2-CB 4.3Å; L403-V496 HydrophobicContact CD1-CB 3.89Å; L403-V496 HydrophobicContact CD1-CG1 3.86Å; L403-V496 HydrophobicContact CD1-CG2 3.69Å; L403-V496 HydrophobicContact CG-CG2 4.35Å | ||
| 404 | Q | 76.1 | Confident | 63.8 | Low | 119 Ų | 119 | 81 Ų | 81 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -97 | 133.1 | 172.5 | -72.9 | -172.5 | -26.1 | 0 | 0 | 110.9 | T402 F489 | T402-Q404 VanDerWaalsContact C-N 3.29Å; T402-Q404 PolarHBondContact O-N 3.4Å; Q404-F489 WeakPolarHBondContact O-CE2 3.47Å |
| 405 | P | 81.4 | Confident | 66.4 | Low | 67 Ų | 67 | 76.5 Ų | 76.5 | 44% | 0.435 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -61 | 140.5 | 174.9 | -20.6 | 31.7 | 0 | 0 | 0 | 111.6 | T407 L419 L423 F489 | P405-T407 PolarHBondContact O-N 3.42Å; P405-L419 HydrophobicContact CB-CD2 4.23Å; P405-L423 HydrophobicContact CG-CD1 4.38Å; P405-F489 HydrophobicContact CB-CZ 4.41Å; P405-F489 HydrophobicContact CG-CZ 4.37Å |
| 406 | P | 82.1 | Confident | 68.9 | Low | 26 Ų | 26 | 73.2 Ų | 73.2 | 17% | 0.169 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 125.7 | 175.8 | -19.7 | 30.4 | 0 | 0 | 0 | 111.8 | T408 L409 D485 F489 | P406-T408 VanDerWaalsContact C-N 3.25Å; P406-T408 PolarHBondContact O-N 2.68Å; P406-L409 HydrophobicContact CB-CD1 4.24Å; P406-L409 HydrophobicContact CB-CG 4.24Å; P406-L409 HydrophobicContact CG-CD1 4.16Å; P406-L409 PolarHBondContact O-N 2.87Å; P406-D485 HydrophobicContact CB-CB 3.98Å; P406-D485 HydrophobicContact CG-CB 4.11Å; P406-F489 HydrophobicContact CG-CB 4.11Å; P406-F489 HydrophobicContact CG-CD2 4.47Å; P406-F489 HydrophobicContact CG-CG 4.24Å |
| 407 | T | 78.8 | Confident | 71.5 | Confident | 108 Ų | 108 | 70.6 Ų | 70.6 | 66% | 0.663 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -71.6 | -20.1 | -179.1 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | P405 L409 L410 | P405-T407 PolarHBondContact O-N 3.42Å; T407-L409 PolarHBondContact O-N 3.4Å; T407-L410 VanDerWaalsContact O-CB 3.3Å; T407-L410 WeakPolarHBondContact O-CB 3.48Å; T407-L410 WeakPolarHBondContact O-CG 3.41Å; T407-L410 PolarHBondContact O-N 3.22Å; T407-L410 VanDerWaalsContact O-N 3.12Å |
| 408 | T | 79.9 | Confident | 74.2 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 33% | 0.331 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -60.7 | -26.4 | 174.2 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | P406 L410 D411 D485 | P406-T408 VanDerWaalsContact C-N 3.25Å; P406-T408 PolarHBondContact O-N 2.68Å; T408-L410 PolarHBondContact O-N 3.41Å; T408-D411 PolarHBondContact O-N 2.99Å; T408-D485 WeakPolarHBondContact CB-OD2 3.17Å; T408-D485 PolarHBondContact OG1-OD2 3.48Å |
| 409 | L | 81.8 | Confident | 76.6 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -70.8 | -17.1 | 177 | -62.5 | 174.9 | 0 | 0 | 0 | 112.9 | P406 T407 D411 F412 L415 A416 L419 D485 L486 | P406-L409 HydrophobicContact CB-CD1 4.24Å; P406-L409 HydrophobicContact CB-CG 4.24Å; P406-L409 HydrophobicContact CG-CD1 4.16Å; P406-L409 PolarHBondContact O-N 2.87Å; T407-L409 PolarHBondContact O-N 3.4Å; L409-D411 PolarHBondContact O-N 3.08Å; L409-F412 CarbonylContact O-C 3.32Å; L409-F412 PolarHBondContact O-N 3.47Å; L409-L415 HydrophobicContact CD2-CB 4.08Å; L409-L415 HydrophobicContact CD2-CD1 4.21Å; L409-A416 HydrophobicContact CB-CB 4.44Å; L409-A416 WeakPolarHBondContact O-CB 3.47Å; L409-L419 HydrophobicContact CD1-CD2 3.51Å; L409-D485 HydrophobicContact CD2-CB 4.31Å; L409-D485 HydrophobicContact CG-CB 4.48Å; L409-L486 HydrophobicContact CD1-CB 4.26Å; L409-L486 HydrophobicContact CD1-CD1 4.32Å; L409-L486 HydrophobicContact CD2-CB 4.19Å; L409-L486 HydrophobicContact CD2-CD1 4.5Å |
| 410 | L | 83.3 | Confident | 79.3 | Confident | 122 Ų | 122 | 58.3 Ų | 58.3 | 64% | 0.639 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -67.4 | -25.6 | 178 | -65.1 | 173.6 | 0 | 0 | 0 | 112.5 | T407 T408 F412 | T407-L410 VanDerWaalsContact O-CB 3.3Å; T407-L410 WeakPolarHBondContact O-CB 3.48Å; T407-L410 WeakPolarHBondContact O-CG 3.41Å; T407-L410 PolarHBondContact O-N 3.22Å; T407-L410 VanDerWaalsContact O-N 3.12Å; T408-L410 PolarHBondContact O-N 3.41Å; L410-F412 PolarHBondContact O-N 3.32Å |
| 411 | D | 81.8 | Confident | 82 | Confident | 104 Ų | 104 | 54.2 Ų | 54.2 | 56% | 0.556 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -69.4 | -16.9 | 174.6 | -62.6 | -32.2 | 0 | 0 | 0 | 111.7 | T408 L409 | T408-D411 PolarHBondContact O-N 2.99Å; L409-D411 PolarHBondContact O-N 3.08Å |
| 412 | F | 86.8 | Confident | 84.3 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -125.4 | 83.6 | -178.3 | -55.9 | -64.7 | 0 | 0 | 0 | 111.4 | L409 L410 P414 L415 A416 Q477 F478 | L409-F412 CarbonylContact O-C 3.32Å; L409-F412 PolarHBondContact O-N 3.47Å; L410-F412 PolarHBondContact O-N 3.32Å; F412-P414 VanDerWaalsContact C-CD 3.42Å; F412-P414 VanDerWaalsContact O-N 3.14Å; F412-L415 HydrophobicContact CB-CB 4.35Å; F412-L415 HydrophobicContact CB-CD1 4.02Å; F412-L415 HydrophobicContact CB-CG 4.34Å; F412-L415 HydrophobicContact CG-CD1 4.49Å; F412-L415 PolarHBondContact O-N 2.91Å; F412-A416 PolarHBondContact O-N 3.37Å; F412-Q477 HydrophobicContact CZ-CB 3.81Å; F412-F478 HydrophobicContact CB-CD2 3.76Å; F412-F478 HydrophobicContact CB-CE2 4.12Å; F412-F478 HydrophobicContact CD1-CB 3.87Å; F412-F478 AromaticContact CD1-CD2 3.58Å; F412-F478 HydrophobicContact CD1-CD2 3.58Å; F412-F478 HydrophobicContact CD1-CG 4.21Å; F412-F478 HydrophobicContact CE1-CB 3.77Å; F412-F478 HydrophobicContact CE1-CD2 4.35Å; F412-F478 HydrophobicContact CG-CB 4.37Å; F412-F478 AromaticContact CG-CD2 3.74Å; F412-F478 HydrophobicContact CG-CD2 3.74Å; F412-F478 HydrophobicContact CG-CG 4.48Å; F412-F478 HydrophobicContact CZ-CB 4.21Å |
| 413 | P | 86.9 | Confident | 86 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 41% | 0.409 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -50.3 | -41 | -174.5 | -26.4 | 32.4 | 0 | 0 | 0 | 115.7 | L415 A416 C417 | P413-L415 VanDerWaalsContact C-N 3.33Å; P413-L415 PolarHBondContact O-N 3.12Å; P413-A416 PolarHBondContact O-N 3.01Å; P413-C417 WeakPolarHBondContact O-CB 3.42Å; P413-C417 PolarHBondContact O-N 3.02Å |
| 414 | P | 89.7 | Confident | 87.1 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 177.6 | -24.8 | 35.1 | 0 | 0 | 0 | 113.2 | F371 D374 M375 Y378 F412 F418 | F371-P414 HydrophobicContact CD2-CB 4.06Å; F371-P414 WeakPolarHBondContact CD2-O 3.35Å; F371-P414 HydrophobicContact CE2-CB 3.7Å; D374-P414 HydrophobicContact CB-CB 4.28Å; M375-P414 HydrophobicContact CG-CB 4.42Å; M375-P414 HydrophobicContact SD-CB 3.85Å; M375-P414 HydrophobicContact SD-CG 4.04Å; Y378-P414 HydrophobicContact CD1-CG 4.41Å; Y378-P414 HydrophobicContact CD2-CG 3.53Å; Y378-P414 HydrophobicContact CE2-CG 3.99Å; Y378-P414 HydrophobicContact CG-CG 3.79Å; F412-P414 VanDerWaalsContact C-CD 3.42Å; F412-P414 VanDerWaalsContact O-N 3.14Å; P414-F418 VanDerWaalsContact O-CB 3.3Å; P414-F418 WeakPolarHBondContact O-CB 3.48Å; P414-F418 PolarHBondContact O-N 3.06Å |
| 415 | L | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.6 | -41.8 | 179.2 | -65.1 | 176.1 | 0 | 0 | 0 | 111.7 | F371 L409 F412 P413 F418 L419 F478 F482 L486 | F371-L415 HydrophobicContact CE2-CD2 3.96Å; F371-L415 HydrophobicContact CZ-CD2 4.24Å; L409-L415 HydrophobicContact CD2-CB 4.08Å; L409-L415 HydrophobicContact CD2-CD1 4.21Å; F412-L415 HydrophobicContact CB-CB 4.35Å; F412-L415 HydrophobicContact CB-CD1 4.02Å; F412-L415 HydrophobicContact CB-CG 4.34Å; F412-L415 HydrophobicContact CG-CD1 4.49Å; F412-L415 PolarHBondContact O-N 2.91Å; P413-L415 VanDerWaalsContact C-N 3.33Å; P413-L415 PolarHBondContact O-N 3.12Å; L415-F418 PolarHBondContact O-N 3.45Å; L415-L419 WeakPolarHBondContact O-CB 3.45Å; L415-L419 PolarHBondContact O-N 3.39Å; L415-F478 HydrophobicContact CD1-CD1 4.42Å; L415-F478 HydrophobicContact CD1-CD2 3.82Å; L415-F478 HydrophobicContact CD1-CE1 4.27Å; L415-F478 HydrophobicContact CD1-CE2 3.68Å; L415-F478 HydrophobicContact CD1-CG 4.19Å; L415-F478 HydrophobicContact CD1-CZ 3.9Å; L415-F478 HydrophobicContact CD2-CE1 4.24Å; L415-F478 HydrophobicContact CD2-CE2 4.17Å; L415-F478 HydrophobicContact CD2-CZ 3.71Å; L415-F478 HydrophobicContact CG-CD2 4.16Å; L415-F478 HydrophobicContact CG-CE1 4.33Å; L415-F478 HydrophobicContact CG-CE2 3.49Å; L415-F478 VanDerWaalsContact CG-CE2 3.49Å; L415-F478 HydrophobicContact CG-CZ 3.58Å; L415-F482 HydrophobicContact CD1-CB 4.21Å; L415-F482 HydrophobicContact CD2-CB 4.22Å; L415-F482 HydrophobicContact CD2-CD2 3.87Å; L415-F482 HydrophobicContact CD2-CG 4.46Å; L415-L486 HydrophobicContact CB-CD1 4.21Å; L415-L486 HydrophobicContact CD2-CD1 4.3Å |
| 416 | A | 88.6 | Confident | 88.4 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 12% | 0.124 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L409 F412 P413 L419 N420 | L409-A416 HydrophobicContact CB-CB 4.44Å; L409-A416 WeakPolarHBondContact O-CB 3.47Å; F412-A416 PolarHBondContact O-N 3.37Å; P413-A416 PolarHBondContact O-N 3.01Å; A416-L419 PolarHBondContact O-N 2.89Å; A416-N420 PolarHBondContact O-N 3.32Å; A416-N420 PolarHBondContact O-ND2 2.88Å |
| 417 | C | 90.4 | Very high | 88.7 | Confident | 51 Ų | 51 | 42.2 Ų | 42.2 | 35% | 0.345 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.5 | -47.6 | 176.1 | -79.6 | 0 | 0 | 0 | 0 | 111.1 | P413 L419 N420 H421 | P413-C417 WeakPolarHBondContact O-CB 3.42Å; P413-C417 PolarHBondContact O-N 3.02Å; C417-L419 PolarHBondContact O-N 3.47Å; C417-N420 PolarHBondContact O-N 3.29Å; C417-H421 PolarHBondContact O-N 3.35Å; C417-H421 PolarHBondContact O-ND1 3.47Å |
| 418 | F | 93.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.4 | -48.4 | 175.7 | 176.8 | -106.6 | 0 | 0 | 0 | 111.9 | A367 F371 P414 L415 N420 H421 I422 V448 L449 V452 L486 | A367-F418 HydrophobicContact CB-CD2 4.11Å; A367-F418 HydrophobicContact CB-CE2 3.99Å; F371-F418 HydrophobicContact CB-CB 4.36Å; F371-F418 HydrophobicContact CB-CD2 3.96Å; F371-F418 HydrophobicContact CB-CG 4.47Å; F371-F418 HydrophobicContact CD2-CB 3.7Å; F371-F418 HydrophobicContact CD2-CG 4.22Å; F371-F418 HydrophobicContact CE2-CB 4.42Å; F371-F418 HydrophobicContact CG-CB 4.35Å; F371-F418 HydrophobicContact CG-CD2 4.37Å; F371-F418 HydrophobicContact CG-CG 4.5Å; P414-F418 VanDerWaalsContact O-CB 3.3Å; P414-F418 WeakPolarHBondContact O-CB 3.48Å; P414-F418 PolarHBondContact O-N 3.06Å; L415-F418 PolarHBondContact O-N 3.45Å; F418-N420 VanDerWaalsContact C-N 3.29Å; F418-N420 PolarHBondContact O-N 3.49Å; F418-H421 PolarHBondContact O-N 2.92Å; F418-H421 VanDerWaalsContact O-N 3.09Å; F418-I422 HydrophobicContact CD1-CG1 4.21Å; F418-I422 HydrophobicContact CD2-CG1 4.39Å; F418-I422 HydrophobicContact CE1-CD1 4.21Å; F418-I422 HydrophobicContact CE1-CG1 3.77Å; F418-I422 HydrophobicContact CE2-CD1 3.75Å; F418-I422 HydrophobicContact CE2-CG1 3.97Å; F418-I422 HydrophobicContact CG-CG1 4.49Å; F418-I422 HydrophobicContact CZ-CD1 3.55Å; F418-I422 HydrophobicContact CZ-CG1 3.63Å; F418-I422 WeakPolarHBondContact O-CG1 3.45Å; F418-I422 PolarHBondContact O-N 3.18Å; F418-V448 HydrophobicContact CE2-CG1 4.16Å; F418-V448 HydrophobicContact CZ-CG1 4.02Å; F418-L449 HydrophobicContact CE1-CD2 3.9Å; F418-L449 HydrophobicContact CZ-CD2 4.2Å; F418-V452 HydrophobicContact CD2-CG2 4.19Å; F418-V452 HydrophobicContact CE1-CG2 4.22Å; F418-V452 HydrophobicContact CE2-CG2 3.58Å; F418-V452 HydrophobicContact CZ-CG2 3.61Å; F418-L486 HydrophobicContact CD1-CD1 4.25Å; F418-L486 HydrophobicContact CE1-CD2 4.46Å |
| 419 | L | 92.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.9 | -43.9 | 177.7 | 178.4 | 59.5 | 0 | 0 | 0 | 112 | P405 L409 L415 A416 C417 H421 I422 L423 L486 F489 L490 | P405-L419 HydrophobicContact CB-CD2 4.23Å; L409-L419 HydrophobicContact CD1-CD2 3.51Å; L415-L419 WeakPolarHBondContact O-CB 3.45Å; L415-L419 PolarHBondContact O-N 3.39Å; A416-L419 PolarHBondContact O-N 2.89Å; C417-L419 PolarHBondContact O-N 3.47Å; L419-H421 VanDerWaalsContact C-N 3.32Å; L419-H421 PolarHBondContact O-N 3.49Å; L419-I422 PolarHBondContact O-N 2.84Å; L419-L423 HydrophobicContact CD1-CD1 4.36Å; L419-L423 HydrophobicContact CD1-CG 4.1Å; L419-L423 HydrophobicContact CG-CD1 4.09Å; L419-L423 HydrophobicContact CG-CG 4.29Å; L419-L423 WeakPolarHBondContact O-CB 3.34Å; L419-L423 WeakPolarHBondContact O-CG 3.19Å; L419-L423 PolarHBondContact O-N 3.42Å; L419-L486 HydrophobicContact CB-CD1 4.23Å; L419-F489 HydrophobicContact CD1-CD1 3.75Å; L419-F489 HydrophobicContact CD1-CE1 3.85Å; L419-F489 HydrophobicContact CD2-CD1 3.95Å; L419-F489 HydrophobicContact CD2-CE1 3.96Å; L419-F489 HydrophobicContact CG-CD1 4.46Å; L419-F489 HydrophobicContact CG-CE1 4.35Å; L419-L490 HydrophobicContact CD1-CD2 3.58Å; L419-L490 HydrophobicContact CD1-CG 4.23Å |
| 420 | N | 92.9 | Very high | 89.8 | Confident | 98 Ų | 98 | 47.2 Ų | 47.2 | 52% | 0.524 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 178.5 | -73.8 | -26.9 | 0 | 0 | 0 | 112.7 | A416 C417 F418 L423 S424 | A416-N420 PolarHBondContact O-N 3.32Å; A416-N420 PolarHBondContact O-ND2 2.88Å; C417-N420 PolarHBondContact O-N 3.29Å; F418-N420 VanDerWaalsContact C-N 3.29Å; F418-N420 PolarHBondContact O-N 3.49Å; N420-L423 PolarHBondContact O-N 2.81Å; N420-S424 PolarHBondContact O-N 2.86Å |
| 421 | H | 93 | Very high | 89.7 | Confident | 51 Ų | 51 | 44.9 Ų | 44.9 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -42.2 | 175.7 | -66.7 | 92.4 | 0 | 0 | 0 | 111.6 | A367 R370 C417 F418 L419 L423 S424 A425 | A367-H421 HydrophobicContact CB-CB 3.6Å; R370-H421 WeakPolarHBondContact CD-NE2 3.47Å; R370-H421 PolarHBondContact NH1-NE2 2.93Å; C417-H421 PolarHBondContact O-N 3.35Å; C417-H421 PolarHBondContact O-ND1 3.47Å; F418-H421 PolarHBondContact O-N 2.92Å; F418-H421 VanDerWaalsContact O-N 3.09Å; L419-H421 VanDerWaalsContact C-N 3.32Å; L419-H421 PolarHBondContact O-N 3.49Å; H421-L423 VanDerWaalsContact C-N 3.35Å; H421-L423 PolarHBondContact O-N 2.81Å; H421-S424 WeakPolarHBondContact O-CB 3.46Å; H421-S424 PolarHBondContact O-N 2.86Å; H421-A425 PolarHBondContact O-N 3.36Å |
| 422 | I | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 175.6 | -57.1 | -63.1 | 0 | 0 | 0 | 111.2 | L364 A367 F418 L419 S424 A425 F426 L445 L490 | L364-I422 HydrophobicContact CD2-CD1 3.29Å; A367-I422 HydrophobicContact CB-CD1 4.04Å; F418-I422 HydrophobicContact CD1-CG1 4.21Å; F418-I422 HydrophobicContact CD2-CG1 4.39Å; F418-I422 HydrophobicContact CE1-CD1 4.21Å; F418-I422 HydrophobicContact CE1-CG1 3.77Å; F418-I422 HydrophobicContact CE2-CD1 3.75Å; F418-I422 HydrophobicContact CE2-CG1 3.97Å; F418-I422 HydrophobicContact CG-CG1 4.49Å; F418-I422 HydrophobicContact CZ-CD1 3.55Å; F418-I422 HydrophobicContact CZ-CG1 3.63Å; F418-I422 WeakPolarHBondContact O-CG1 3.45Å; F418-I422 PolarHBondContact O-N 3.18Å; L419-I422 PolarHBondContact O-N 2.84Å; I422-S424 VanDerWaalsContact C-N 3.32Å; I422-S424 PolarHBondContact O-N 2.86Å; I422-A425 WeakPolarHBondContact O-CB 3.36Å; I422-A425 PolarHBondContact O-N 2.91Å; I422-F426 HydrophobicContact CG2-CD2 4.09Å; I422-F426 HydrophobicContact CG2-CE2 3.76Å; I422-F426 HydrophobicContact CG2-CZ 4.07Å; I422-F426 PolarHBondContact O-N 2.88Å; I422-L445 HydrophobicContact CD1-CD1 4.36Å; I422-L445 HydrophobicContact CG2-CD1 3.97Å; I422-L490 HydrophobicContact CB-CD2 4.23Å; I422-L490 HydrophobicContact CG2-CD2 3.57Å |
| 423 | L | 92.4 | Very high | 89.5 | Confident | 34 Ų | 34 | 41.3 Ų | 41.3 | 18% | 0.178 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.5 | -37.8 | 175.7 | -71.5 | 179 | 0 | 0 | 0 | 112.1 | P405 L419 N420 H421 F426 N427 F489 | P405-L423 HydrophobicContact CG-CD1 4.38Å; L419-L423 HydrophobicContact CD1-CD1 4.36Å; L419-L423 HydrophobicContact CD1-CG 4.1Å; L419-L423 HydrophobicContact CG-CD1 4.09Å; L419-L423 HydrophobicContact CG-CG 4.29Å; L419-L423 WeakPolarHBondContact O-CB 3.34Å; L419-L423 WeakPolarHBondContact O-CG 3.19Å; L419-L423 PolarHBondContact O-N 3.42Å; N420-L423 PolarHBondContact O-N 2.81Å; H421-L423 VanDerWaalsContact C-N 3.35Å; H421-L423 PolarHBondContact O-N 2.81Å; L423-F426 HydrophobicContact CD2-CD2 4.39Å; L423-F426 PolarHBondContact O-N 3.46Å; L423-N427 WeakPolarHBondContact O-CB 3.47Å; L423-N427 VanDerWaalsContact O-CG 3.23Å; L423-N427 PolarHBondContact O-N 3.46Å; L423-N427 PolarHBondContact O-ND2 3.38Å; L423-N427 VanDerWaalsContact O-ND2 3.12Å; L423-F489 HydrophobicContact CD1-CE1 4.23Å; L423-F489 HydrophobicContact CD2-CE1 4.01Å; L423-F489 HydrophobicContact CD2-CZ 4.49Å |
| 424 | S | 91.9 | Very high | 89.4 | Confident | 60 Ų | 60 | 40.3 Ų | 40.3 | 42% | 0.42 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.6 | -48.1 | 172.2 | -162.6 | 0 | 0 | 0 | 0 | 110.9 | N420 H421 I422 F426 N427 D428 | N420-S424 PolarHBondContact O-N 2.86Å; H421-S424 WeakPolarHBondContact O-CB 3.46Å; H421-S424 PolarHBondContact O-N 2.86Å; I422-S424 VanDerWaalsContact C-N 3.32Å; I422-S424 PolarHBondContact O-N 2.86Å; S424-F426 VanDerWaalsContact C-N 3.3Å; S424-F426 PolarHBondContact O-N 2.96Å; S424-N427 PolarHBondContact O-N 3.08Å; S424-N427 VanDerWaalsContact O-N 3.11Å; S424-D428 PolarHBondContact O-N 2.85Å |
| 425 | A | 92.4 | Very high | 89.2 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.033 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.1 | -39.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F360 A363 H421 I422 L429 | F360-A425 HydrophobicContact CD2-CB 3.86Å; F360-A425 HydrophobicContact CE2-CB 3.85Å; A363-A425 HydrophobicContact CB-CB 3.79Å; H421-A425 PolarHBondContact O-N 3.36Å; I422-A425 WeakPolarHBondContact O-CB 3.36Å; I422-A425 PolarHBondContact O-N 2.91Å; A425-L429 VanDerWaalsContact O-CB 3.29Å; A425-L429 WeakPolarHBondContact O-CB 3.42Å; A425-L429 PolarHBondContact O-N 2.93Å |
| 426 | F | 92.2 | Very high | 88.8 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 173.7 | -76.9 | -27.1 | 0 | 0 | 0 | 113.5 | F360 I422 L423 S424 L429 R430 L445 L490 C493 L494 L497 | F360-F426 AromaticContact CE2-CD1 3.64Å; F360-F426 HydrophobicContact CE2-CD1 3.64Å; F360-F426 AromaticContact CE2-CE1 3.86Å; F360-F426 HydrophobicContact CE2-CE1 3.86Å; F360-F426 AromaticContact CZ-CD1 3.99Å; F360-F426 HydrophobicContact CZ-CD1 3.99Å; F360-F426 AromaticContact CZ-CE1 3.7Å; F360-F426 HydrophobicContact CZ-CE1 3.7Å; I422-F426 HydrophobicContact CG2-CD2 4.09Å; I422-F426 HydrophobicContact CG2-CE2 3.76Å; I422-F426 HydrophobicContact CG2-CZ 4.07Å; I422-F426 PolarHBondContact O-N 2.88Å; L423-F426 HydrophobicContact CD2-CD2 4.39Å; L423-F426 PolarHBondContact O-N 3.46Å; S424-F426 VanDerWaalsContact C-N 3.3Å; S424-F426 PolarHBondContact O-N 2.96Å; F426-L429 PolarHBondContact O-N 3.45Å; F426-R430 WeakPolarHBondContact O-CB 3.33Å; F426-R430 PolarHBondContact O-N 3.48Å; F426-L445 HydrophobicContact CE1-CD2 4.4Å; F426-L445 HydrophobicContact CZ-CD1 4.42Å; F426-L445 HydrophobicContact CZ-CD2 3.73Å; F426-L490 HydrophobicContact CE2-CD2 3.97Å; F426-C493 HydrophobicContact CD2-CB 3.89Å; F426-C493 HydrophobicContact CE2-CB 3.62Å; F426-L494 HydrophobicContact CE1-CD2 3.75Å; F426-L494 HydrophobicContact CE1-CG 4.38Å; F426-L494 HydrophobicContact CZ-CD2 3.85Å; F426-L494 HydrophobicContact CZ-CG 3.95Å; F426-L497 HydrophobicContact CB-CD1 3.92Å; F426-L497 HydrophobicContact CD1-CD1 3.37Å; F426-L497 HydrophobicContact CD2-CD1 4.35Å; F426-L497 HydrophobicContact CE1-CD1 3.88Å; F426-L497 HydrophobicContact CG-CD1 3.64Å |
| 427 | N | 89.8 | Confident | 88.7 | Confident | 92 Ų | 92 | 45 Ų | 45 | 49% | 0.492 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 177.8 | -74.9 | -34.1 | 0 | 0 | 0 | 111.5 | L423 S424 | L423-N427 WeakPolarHBondContact O-CB 3.47Å; L423-N427 VanDerWaalsContact O-CG 3.23Å; L423-N427 PolarHBondContact O-N 3.46Å; L423-N427 PolarHBondContact O-ND2 3.38Å; L423-N427 VanDerWaalsContact O-ND2 3.12Å; S424-N427 PolarHBondContact O-N 3.08Å; S424-N427 VanDerWaalsContact O-N 3.11Å |
| 428 | D | 88.1 | Confident | 88.6 | Confident | 95 Ų | 95 | 42.7 Ų | 42.7 | 51% | 0.508 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.1 | -44 | 176.4 | -65.1 | -26.1 | 0 | 0 | 0 | 111.1 | S424 R430 L431 | S424-D428 PolarHBondContact O-N 2.85Å; D428-R430 VanDerWaalsContact C-N 3.34Å; D428-R430 PolarHBondContact O-N 3.48Å; D428-L431 PolarHBondContact O-N 3.24Å |
| 429 | L | 89.1 | Confident | 88.4 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 177.6 | -179.3 | 64.2 | 0 | 0 | 0 | 112.3 | A356 F360 A425 F426 L431 C432 C433 V441 | A356-L429 HydrophobicContact CB-CD1 4.16Å; F360-L429 HydrophobicContact CB-CD1 4.4Å; F360-L429 HydrophobicContact CD1-CD2 4.45Å; F360-L429 HydrophobicContact CD2-CB 4.15Å; F360-L429 HydrophobicContact CD2-CD2 3.89Å; F360-L429 HydrophobicContact CE2-CD2 4.15Å; F360-L429 HydrophobicContact CG-CD2 4.06Å; A425-L429 VanDerWaalsContact O-CB 3.29Å; A425-L429 WeakPolarHBondContact O-CB 3.42Å; A425-L429 PolarHBondContact O-N 2.93Å; F426-L429 PolarHBondContact O-N 3.45Å; L429-L431 PolarHBondContact O-N 2.7Å; L429-C432 CarbonylContact O-C 3.22Å; L429-C432 PolarHBondContact O-N 2.87Å; L429-C433 HydrophobicContact CG-CB 4.33Å; L429-C433 WeakPolarHBondContact O-CB 3.21Å; L429-C433 PolarHBondContact O-N 3.32Å; L429-V441 HydrophobicContact CD2-CB 4.39Å; L429-V441 HydrophobicContact CD2-CG1 3.7Å; L429-V441 HydrophobicContact CD2-CG2 3.72Å |
| 430 | R | 86.8 | Confident | 88.2 | Confident | 166 Ų | 166 | 48.6 Ų | 48.6 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -52.3 | -33.2 | -177.1 | -170.5 | -176.6 | 79.2 | 174.6 | 3.7 | 113 | F426 D428 C432 L497 | F426-R430 WeakPolarHBondContact O-CB 3.33Å; F426-R430 PolarHBondContact O-N 3.48Å; D428-R430 VanDerWaalsContact C-N 3.34Å; D428-R430 PolarHBondContact O-N 3.48Å; R430-C432 VanDerWaalsContact C-N 3.26Å; R430-C432 PolarHBondContact O-N 3.41Å; R430-L497 HydrophobicContact CB-CD2 3.85Å; R430-L497 HydrophobicContact CG-CD2 3.95Å |
| 431 | L | 79.5 | Confident | 88.2 | Confident | 73 Ų | 73 | 43.9 Ų | 43.9 | 38% | 0.382 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -25.7 | -178.6 | -67.2 | 179.6 | 0 | 0 | 0 | 112.8 | D324 D428 L429 | D324-L431 HydrophobicContact CB-CB 3.95Å; D428-L431 PolarHBondContact O-N 3.24Å; L429-L431 PolarHBondContact O-N 2.7Å |
| 432 | C | 82.6 | Confident | 88.1 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 5% | 0.054 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.9 | 56.5 | 179.9 | -80.1 | 0 | 0 | 0 | 0 | 111 | L323 D324 A356 L429 R430 P434 | L323-C432 VanDerWaalsContact C-SG 3.55Å; L323-C432 HydrophobicContact CD2-CB 3.85Å; L323-C432 HydrophobicContact CG-CB 4.29Å; D324-C432 VanDerWaalsContact CA-SG 3.59Å; D324-C432 PolarHBondContact N-SG 3.25Å; D324-C432 VanDerWaalsContact N-SG 3.45Å; A356-C432 HydrophobicContact CB-CB 4.28Å; L429-C432 CarbonylContact O-C 3.22Å; L429-C432 PolarHBondContact O-N 2.87Å; R430-C432 VanDerWaalsContact C-N 3.26Å; R430-C432 PolarHBondContact O-N 3.41Å; C432-P434 WeakPolarHBondContact O-CD 3.27Å |
| 433 | C | 83.6 | Confident | 87.9 | Confident | 34 Ų | 34 | 47.7 Ų | 47.7 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | trans | -106.2 | 88.6 | -175.4 | -163.3 | 0 | 0 | 0 | 0 | 112 | L429 F498 | L429-C433 HydrophobicContact CG-CB 4.33Å; L429-C433 WeakPolarHBondContact O-CB 3.21Å; L429-C433 PolarHBondContact O-N 3.32Å; C433-F498 WeakPolarHBondContact SG-CE1 3.27Å; C433-F498 WeakPolarHBondContact SG-CZ 3.48Å | ||
| 434 | P | 84.1 | Confident | 88 | Confident | 42 Ų | 42 | 46.7 Ų | 46.7 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | trans | -70.8 | 142.6 | 173.9 | 28.7 | -32.4 | 0 | 0 | 0 | 110.4 | Q353 C432 G436 A437 | Q353-P434 HydrophobicContact CB-CG 3.79Å; Q353-P434 HydrophobicContact CG-CG 3.56Å; C432-P434 WeakPolarHBondContact O-CD 3.27Å; P434-G436 PolarHBondContact O-N 2.9Å; P434-G436 VanDerWaalsContact O-N 3.1Å; P434-A437 HydrophobicContact CG-CB 4.02Å; P434-A437 WeakPolarHBondContact O-CB 3.2Å; P434-A437 PolarHBondContact O-N 3.35Å | ||
| 435 | L | 84.4 | Confident | 88 | Confident | 58 Ų | 58 | 43.8 Ų | 43.8 | 30% | 0.304 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -57.6 | -28.7 | 177.5 | -67.2 | 174.1 | 0 | 0 | 0 | 112.6 | A437 A438 F498 Q502 L503 V506 | L435-A437 PolarHBondContact O-N 3.28Å; L435-A438 VanDerWaalsContact O-CB 3.3Å; L435-A438 WeakPolarHBondContact O-CB 3.31Å; L435-A438 PolarHBondContact O-N 3.2Å; L435-F498 HydrophobicContact CD2-CD1 4.35Å; L435-Q502 HydrophobicContact CD1-CB 4.44Å; L435-L503 HydrophobicContact CB-CD2 4.41Å; L435-L503 HydrophobicContact CD2-CD2 4.23Å; L435-V506 HydrophobicContact CD1-CG2 3.84Å |
| 436 | G | 82.6 | Confident | 88 | Confident | 58 Ų | 58 | 45.1 Ų | 45.1 | 60% | 0.598 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -62.9 | -20.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P434 A438 | P434-G436 PolarHBondContact O-N 2.9Å; P434-G436 VanDerWaalsContact O-N 3.1Å; G436-A438 VanDerWaalsContact C-N 3.33Å |
| 437 | A | 86.9 | Confident | 88 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -84.7 | -3.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q353 P434 L435 Q439 D440 V441 | Q353-A437 HydrophobicContact CG-CB 4.14Å; P434-A437 HydrophobicContact CG-CB 4.02Å; P434-A437 WeakPolarHBondContact O-CB 3.2Å; P434-A437 PolarHBondContact O-N 3.35Å; L435-A437 PolarHBondContact O-N 3.28Å; A437-Q439 VanDerWaalsContact C-N 3.26Å; A437-Q439 PolarHBondContact O-N 2.86Å; A437-Q439 VanDerWaalsContact O-N 3.17Å; A437-D440 PolarHBondContact O-N 2.86Å; A437-D440 VanDerWaalsContact O-N 3.15Å; A437-V441 HydrophobicContact CB-CG2 4.17Å; A437-V441 WeakPolarHBondContact O-CB 3.46Å; A437-V441 VanDerWaalsContact O-CG2 3.3Å; A437-V441 WeakPolarHBondContact O-CG2 3.38Å; A437-V441 PolarHBondContact O-N 3.07Å |
| 438 | A | 88.3 | Confident | 88.3 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.6 | -40.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L435 G436 S442 F498 L503 | L435-A438 VanDerWaalsContact O-CB 3.3Å; L435-A438 WeakPolarHBondContact O-CB 3.31Å; L435-A438 PolarHBondContact O-N 3.2Å; G436-A438 VanDerWaalsContact C-N 3.33Å; A438-S442 VanDerWaalsContact O-CB 3.31Å; A438-S442 WeakPolarHBondContact O-CB 3.18Å; A438-S442 PolarHBondContact O-N 3.31Å; A438-S442 VanDerWaalsContact O-N 3.08Å; A438-S442 PolarHBondContact O-OG 3.46Å; A438-F498 HydrophobicContact CB-CB 4.31Å; A438-F498 HydrophobicContact CB-CD1 3.55Å; A438-F498 HydrophobicContact CB-CD2 4.25Å; A438-F498 HydrophobicContact CB-CE1 3.79Å; A438-F498 HydrophobicContact CB-CE2 4.46Å; A438-F498 HydrophobicContact CB-CG 3.78Å; A438-F498 HydrophobicContact CB-CZ 4.24Å; A438-L503 HydrophobicContact CB-CD1 4.46Å; A438-L503 HydrophobicContact CB-CD2 3.97Å |
| 439 | Q | 88.1 | Confident | 88.5 | Confident | 71 Ų | 71 | 40.3 Ų | 40.3 | 33% | 0.332 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.8 | -47.8 | 179.1 | -172.7 | 166.6 | 35.8 | 0 | 0 | 112 | A437 V441 S442 R443 L520 | A437-Q439 VanDerWaalsContact C-N 3.26Å; A437-Q439 PolarHBondContact O-N 2.86Å; A437-Q439 VanDerWaalsContact O-N 3.17Å; Q439-V441 VanDerWaalsContact C-N 3.34Å; Q439-V441 PolarHBondContact O-N 3.44Å; Q439-S442 PolarHBondContact O-N 2.89Å; Q439-R443 WeakPolarHBondContact O-CB 3.41Å; Q439-R443 WeakPolarHBondContact O-CG 3.33Å; Q439-R443 PolarHBondContact O-N 3.47Å; Q439-L520 HydrophobicContact CB-CD2 3.88Å |
| 440 | D | 89.9 | Confident | 88.7 | Confident | 58 Ų | 58 | 43.4 Ų | 43.4 | 31% | 0.31 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.9 | -37.5 | -176.6 | -59.5 | -42 | 0 | 0 | 0 | 111.4 | L357 A437 S444 | L357-D440 HydrophobicContact CD1-CB 3.8Å; L357-D440 HydrophobicContact CD2-CB 3.69Å; L357-D440 HydrophobicContact CG-CB 4.43Å; A437-D440 PolarHBondContact O-N 2.86Å; A437-D440 VanDerWaalsContact O-N 3.15Å; D440-S444 VanDerWaalsContact O-CB 3.3Å; D440-S444 WeakPolarHBondContact O-CB 2.96Å; D440-S444 PolarHBondContact O-N 3.43Å; D440-S444 PolarHBondContact O-OG 2.86Å |
| 441 | V | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.5 | -45.5 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L357 F360 L429 A437 Q439 S444 L445 L494 F498 | L357-V441 HydrophobicContact CD1-CG2 3.99Å; F360-V441 HydrophobicContact CD1-CG1 4.26Å; F360-V441 HydrophobicContact CD1-CG2 4.42Å; F360-V441 HydrophobicContact CE1-CB 4.34Å; F360-V441 HydrophobicContact CE1-CG1 3.64Å; F360-V441 HydrophobicContact CZ-CG1 3.92Å; L429-V441 HydrophobicContact CD2-CB 4.39Å; L429-V441 HydrophobicContact CD2-CG1 3.7Å; L429-V441 HydrophobicContact CD2-CG2 3.72Å; A437-V441 HydrophobicContact CB-CG2 4.17Å; A437-V441 WeakPolarHBondContact O-CB 3.46Å; A437-V441 VanDerWaalsContact O-CG2 3.3Å; A437-V441 WeakPolarHBondContact O-CG2 3.38Å; A437-V441 PolarHBondContact O-N 3.07Å; Q439-V441 VanDerWaalsContact C-N 3.34Å; Q439-V441 PolarHBondContact O-N 3.44Å; V441-S444 PolarHBondContact O-N 3.48Å; V441-L445 PolarHBondContact O-N 2.87Å; V441-L494 HydrophobicContact CG1-CD2 3.99Å; V441-F498 HydrophobicContact CB-CE2 3.97Å; V441-F498 HydrophobicContact CB-CZ 4.06Å; V441-F498 HydrophobicContact CG1-CE2 3.76Å; V441-F498 HydrophobicContact CG1-CZ 4.21Å; V441-F498 HydrophobicContact CG2-CE2 4.47Å; V441-F498 HydrophobicContact CG2-CZ 4.1Å |
| 442 | S | 90.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 178.6 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | A438 Q439 L445 E446 G521 | A438-S442 VanDerWaalsContact O-CB 3.31Å; A438-S442 WeakPolarHBondContact O-CB 3.18Å; A438-S442 PolarHBondContact O-N 3.31Å; A438-S442 VanDerWaalsContact O-N 3.08Å; A438-S442 PolarHBondContact O-OG 3.46Å; Q439-S442 PolarHBondContact O-N 2.89Å; S442-L445 PolarHBondContact O-N 3.48Å; S442-E446 WeakPolarHBondContact O-CG 3.48Å; S442-E446 PolarHBondContact O-N 2.97Å; S442-G521 VanDerWaalsContact OG-CA 3.32Å; S442-G521 WeakPolarHBondContact OG-CA 3.39Å; S442-G521 PolarHBondContact OG-N 3.27Å; S442-G521 VanDerWaalsContact OG-N 3.15Å |
| 443 | R | 91.1 | Very high | 90.2 | Very high | 129 Ų | 129 | 33.6 Ų | 33.6 | 49% | 0.487 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 175.6 | -75.8 | 176.1 | 173.3 | 167.9 | -2.9 | 112.7 | Q439 L445 E446 D447 | Q439-R443 WeakPolarHBondContact O-CB 3.41Å; Q439-R443 WeakPolarHBondContact O-CG 3.33Å; Q439-R443 PolarHBondContact O-N 3.47Å; R443-L445 VanDerWaalsContact C-N 3.26Å; R443-L445 PolarHBondContact O-N 3.38Å; R443-E446 WeakPolarHBondContact O-CB 3.19Å; R443-E446 PolarHBondContact O-N 3.37Å; R443-D447 PolarHBondContact O-N 3.23Å |
| 444 | S | 93.1 | Very high | 90.6 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.1 | -38.8 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | Q361 L364 D440 V441 V448 | Q361-S444 WeakPolarHBondContact CG-OG 3.42Å; Q361-S444 PolarHBondContact NE2-OG 3.28Å; L364-S444 WeakPolarHBondContact CD1-O 3.36Å; D440-S444 VanDerWaalsContact O-CB 3.3Å; D440-S444 WeakPolarHBondContact O-CB 2.96Å; D440-S444 PolarHBondContact O-N 3.43Å; D440-S444 PolarHBondContact O-OG 2.86Å; V441-S444 PolarHBondContact O-N 3.48Å; S444-V448 WeakPolarHBondContact O-CG2 3.1Å; S444-V448 PolarHBondContact O-N 2.86Å |
| 445 | L | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.1 | -43.9 | 174.6 | -174.8 | 67.5 | 0 | 0 | 0 | 112.2 | L364 I422 F426 V441 S442 R443 D447 V448 L449 L494 I523 | L364-L445 HydrophobicContact CD1-CB 4.46Å; L364-L445 HydrophobicContact CD2-CD1 4.05Å; I422-L445 HydrophobicContact CD1-CD1 4.36Å; I422-L445 HydrophobicContact CG2-CD1 3.97Å; F426-L445 HydrophobicContact CE1-CD2 4.4Å; F426-L445 HydrophobicContact CZ-CD1 4.42Å; F426-L445 HydrophobicContact CZ-CD2 3.73Å; V441-L445 PolarHBondContact O-N 2.87Å; S442-L445 PolarHBondContact O-N 3.48Å; R443-L445 VanDerWaalsContact C-N 3.26Å; R443-L445 PolarHBondContact O-N 3.38Å; L445-D447 VanDerWaalsContact C-N 3.33Å; L445-D447 PolarHBondContact O-N 3.31Å; L445-V448 PolarHBondContact O-N 3.11Å; L445-L449 HydrophobicContact CD1-CD1 4.37Å; L445-L449 HydrophobicContact CD1-CG 4.46Å; L445-L449 HydrophobicContact CD2-CD1 4.45Å; L445-L449 HydrophobicContact CG-CD1 3.89Å; L445-L449 HydrophobicContact CG-CG 4.4Å; L445-L449 WeakPolarHBondContact O-CB 3.23Å; L445-L449 VanDerWaalsContact O-CG 3.27Å; L445-L449 WeakPolarHBondContact O-CG 3.42Å; L445-L449 PolarHBondContact O-N 2.9Å; L445-L494 HydrophobicContact CD2-CD1 3.51Å; L445-L494 HydrophobicContact CD2-CD2 4.29Å; L445-L494 HydrophobicContact CD2-CG 3.86Å; L445-I523 HydrophobicContact CD2-CD1 3.46Å; L445-I523 VanDerWaalsContact CD2-CD1 3.46Å; L445-I523 HydrophobicContact CD2-CG1 4.12Å; L445-I523 HydrophobicContact CG-CD1 4.22Å |
| 446 | E | 92.1 | Very high | 91.3 | Very high | 31 Ų | 31 | 35.9 Ų | 35.9 | 15% | 0.145 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.1 | -46.2 | 174.2 | -80.9 | -178.8 | -176.7 | 0 | 0 | 112 | S442 R443 V448 L449 R450 I523 D524 I528 | S442-E446 WeakPolarHBondContact O-CG 3.48Å; S442-E446 PolarHBondContact O-N 2.97Å; R443-E446 WeakPolarHBondContact O-CB 3.19Å; R443-E446 PolarHBondContact O-N 3.37Å; E446-V448 VanDerWaalsContact C-N 3.33Å; E446-V448 PolarHBondContact O-N 3.13Å; E446-L449 PolarHBondContact O-N 3.27Å; E446-R450 WeakPolarHBondContact O-CB 3.48Å; E446-R450 VanDerWaalsContact O-CG 3.31Å; E446-R450 WeakPolarHBondContact O-CG 3.33Å; E446-R450 PolarHBondContact O-N 3.45Å; E446-I523 HydrophobicContact CG-CB 4.33Å; E446-I523 HydrophobicContact CG-CG2 3.52Å; E446-I523 WeakPolarHBondContact OE1-CA 3.28Å; E446-D524 PolarHBondContact OE1-N 3.46Å; E446-I528 HydrophobicContact CG-CD1 4.45Å |
| 447 | D | 92.9 | Very high | 91.6 | Very high | 92 Ų | 92 | 33.7 Ų | 33.7 | 49% | 0.492 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.2 | -39.6 | -179.5 | -74.5 | -25 | 0 | 0 | 0 | 112.1 | R443 L445 T451 | R443-D447 PolarHBondContact O-N 3.23Å; L445-D447 VanDerWaalsContact C-N 3.33Å; L445-D447 PolarHBondContact O-N 3.31Å; D447-T451 PolarHBondContact O-N 3.27Å; D447-T451 PolarHBondContact O-OG1 3.15Å |
| 448 | V | 94.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.5 | -41.1 | 175.7 | 163.9 | 0 | 0 | 0 | 0 | 111.5 | L364 A368 F418 S444 L445 E446 R450 T451 V452 | L364-V448 HydrophobicContact CB-CB 4.23Å; L364-V448 HydrophobicContact CB-CG1 4.23Å; L364-V448 HydrophobicContact CB-CG2 3.51Å; L364-V448 HydrophobicContact CD1-CB 4.43Å; L364-V448 HydrophobicContact CD1-CG2 4.07Å; L364-V448 HydrophobicContact CG-CG2 4.4Å; A368-V448 HydrophobicContact CB-CG1 4.26Å; F418-V448 HydrophobicContact CE2-CG1 4.16Å; F418-V448 HydrophobicContact CZ-CG1 4.02Å; S444-V448 WeakPolarHBondContact O-CG2 3.1Å; S444-V448 PolarHBondContact O-N 2.86Å; L445-V448 PolarHBondContact O-N 3.11Å; E446-V448 VanDerWaalsContact C-N 3.33Å; E446-V448 PolarHBondContact O-N 3.13Å; V448-R450 PolarHBondContact O-N 3.48Å; V448-T451 WeakPolarHBondContact O-CA 3.41Å; V448-T451 WeakPolarHBondContact O-CB 3.28Å; V448-T451 PolarHBondContact O-N 3.44Å; V448-T451 VanDerWaalsContact O-N 3.09Å; V448-V452 WeakPolarHBondContact O-CG2 3.49Å; V448-V452 PolarHBondContact O-N 3.1Å |
| 449 | L | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.8 | -37.1 | 175.2 | -70.1 | 169 | 0 | 0 | 0 | 112.4 | F418 L445 E446 T451 V452 T453 F482 L486 L487 L490 I523 I528 | F418-L449 HydrophobicContact CE1-CD2 3.9Å; F418-L449 HydrophobicContact CZ-CD2 4.2Å; L445-L449 HydrophobicContact CD1-CD1 4.37Å; L445-L449 HydrophobicContact CD1-CG 4.46Å; L445-L449 HydrophobicContact CD2-CD1 4.45Å; L445-L449 HydrophobicContact CG-CD1 3.89Å; L445-L449 HydrophobicContact CG-CG 4.4Å; L445-L449 WeakPolarHBondContact O-CB 3.23Å; L445-L449 VanDerWaalsContact O-CG 3.27Å; L445-L449 WeakPolarHBondContact O-CG 3.42Å; L445-L449 PolarHBondContact O-N 2.9Å; E446-L449 PolarHBondContact O-N 3.27Å; L449-T451 VanDerWaalsContact C-N 3.28Å; L449-T451 PolarHBondContact O-N 3.08Å; L449-V452 PolarHBondContact O-N 3.02Å; L449-T453 WeakPolarHBondContact O-CB 3.21Å; L449-T453 PolarHBondContact O-N 2.65Å; L449-T453 PolarHBondContact O-OG1 3.02Å; L449-F482 HydrophobicContact CD2-CE2 4.37Å; L449-L486 HydrophobicContact CD2-CD2 4.26Å; L449-L487 HydrophobicContact CB-CD2 4.49Å; L449-L487 HydrophobicContact CD1-CD2 3.74Å; L449-L487 HydrophobicContact CD2-CD2 3.83Å; L449-L487 HydrophobicContact CG-CD2 4.23Å; L449-L490 HydrophobicContact CD1-CD1 4.23Å; L449-L490 HydrophobicContact CD2-CD1 3.82Å; L449-I523 HydrophobicContact CD1-CD1 3.79Å; L449-I523 HydrophobicContact CD1-CG2 3.99Å; L449-I528 HydrophobicContact CB-CD1 3.75Å; L449-I528 HydrophobicContact CB-CG1 4.37Å; L449-I528 HydrophobicContact CB-CG2 4.19Å; L449-I528 HydrophobicContact CD1-CD1 3.86Å; L449-I528 HydrophobicContact CG-CD1 4.47Å |
| 450 | R | 93 | Very high | 91.7 | Very high | 72 Ų | 72 | 34.4 Ų | 34.4 | 27% | 0.272 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.1 | -37.7 | 170.2 | -73.1 | 176.6 | -170 | -83.6 | 1.9 | 111.4 | E446 V448 T453 R454 A527 I528 | E446-R450 WeakPolarHBondContact O-CB 3.48Å; E446-R450 VanDerWaalsContact O-CG 3.31Å; E446-R450 WeakPolarHBondContact O-CG 3.33Å; E446-R450 PolarHBondContact O-N 3.45Å; V448-R450 PolarHBondContact O-N 3.48Å; R450-T453 PolarHBondContact O-N 3.04Å; R450-R454 WeakPolarHBondContact O-CG 3.36Å; R450-R454 PolarHBondContact O-N 2.71Å; R450-A527 PolarHBondContact NH1-O 3.41Å; R450-I528 HydrophobicContact CG-CG1 4.16Å |
| 451 | T | 93.3 | Very high | 91.5 | Very high | 42 Ų | 42 | 40.3 Ų | 40.3 | 26% | 0.258 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.7 | -46.4 | 176.6 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | D447 V448 L449 T453 R454 I455 | D447-T451 PolarHBondContact O-N 3.27Å; D447-T451 PolarHBondContact O-OG1 3.15Å; V448-T451 WeakPolarHBondContact O-CA 3.41Å; V448-T451 WeakPolarHBondContact O-CB 3.28Å; V448-T451 PolarHBondContact O-N 3.44Å; V448-T451 VanDerWaalsContact O-N 3.09Å; L449-T451 VanDerWaalsContact C-N 3.28Å; L449-T451 PolarHBondContact O-N 3.08Å; T451-T453 VanDerWaalsContact C-N 3.33Å; T451-T453 PolarHBondContact O-N 3.2Å; T451-R454 WeakPolarHBondContact O-CB 3.44Å; T451-R454 PolarHBondContact O-N 3.41Å; T451-R454 VanDerWaalsContact O-N 3.15Å; T451-I455 HydrophobicContact CG2-CD1 4.29Å; T451-I455 WeakPolarHBondContact O-CG1 3.33Å; T451-I455 PolarHBondContact O-N 3.37Å |
| 452 | V | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.8 | -44.7 | 173.1 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | F371 F418 V448 L449 R454 I455 I456 F482 | F371-V452 HydrophobicContact CD1-CB 4.46Å; F371-V452 HydrophobicContact CD1-CG1 3.97Å; F371-V452 HydrophobicContact CD1-CG2 4.16Å; F371-V452 HydrophobicContact CE1-CB 4.46Å; F371-V452 HydrophobicContact CE1-CG1 3.63Å; F371-V452 HydrophobicContact CZ-CG1 3.93Å; F418-V452 HydrophobicContact CD2-CG2 4.19Å; F418-V452 HydrophobicContact CE1-CG2 4.22Å; F418-V452 HydrophobicContact CE2-CG2 3.58Å; F418-V452 HydrophobicContact CZ-CG2 3.61Å; V448-V452 WeakPolarHBondContact O-CG2 3.49Å; V448-V452 PolarHBondContact O-N 3.1Å; L449-V452 PolarHBondContact O-N 3.02Å; V452-R454 VanDerWaalsContact C-N 3.32Å; V452-R454 PolarHBondContact O-N 3.43Å; V452-I455 WeakPolarHBondContact O-CB 3.35Å; V452-I455 PolarHBondContact O-N 3.03Å; V452-I455 VanDerWaalsContact O-N 3.08Å; V452-I456 HydrophobicContact CG1-CD1 4.03Å; V452-I456 WeakPolarHBondContact O-CG1 3.31Å; V452-I456 PolarHBondContact O-N 3.05Å; V452-F482 HydrophobicContact CG1-CE2 3.85Å; V452-F482 HydrophobicContact CG1-CZ 4.21Å |
| 453 | T | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.1 | -44.3 | 175.4 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | L449 R450 T451 I455 I456 V457 I528 P531 L532 | L449-T453 WeakPolarHBondContact O-CB 3.21Å; L449-T453 PolarHBondContact O-N 2.65Å; L449-T453 PolarHBondContact O-OG1 3.02Å; R450-T453 PolarHBondContact O-N 3.04Å; T451-T453 VanDerWaalsContact C-N 3.33Å; T451-T453 PolarHBondContact O-N 3.2Å; T453-I455 VanDerWaalsContact C-N 3.31Å; T453-I455 PolarHBondContact O-N 3.44Å; T453-I456 PolarHBondContact O-N 2.79Å; T453-V457 WeakPolarHBondContact O-CG2 3.44Å; T453-V457 PolarHBondContact O-N 3.22Å; T453-I528 VanDerWaalsContact CG2-O 3.29Å; T453-I528 WeakPolarHBondContact CG2-O 3.3Å; T453-I528 WeakPolarHBondContact OG1-CG2 3.41Å; T453-P531 HydrophobicContact CG2-CB 4.02Å; T453-P531 HydrophobicContact CG2-CG 4.02Å; T453-L532 HydrophobicContact CG2-CD1 3.72Å; T453-L532 HydrophobicContact CG2-CG 3.74Å |
| 454 | R | 92.8 | Very high | 90.2 | Very high | 161 Ų | 161 | 46.1 Ų | 46.1 | 61% | 0.608 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.9 | -37.4 | 175.6 | -70.6 | 172.5 | -169.2 | 143.6 | 1.3 | 112.2 | R450 T451 V452 V457 A458 | R450-R454 WeakPolarHBondContact O-CG 3.36Å; R450-R454 PolarHBondContact O-N 2.71Å; T451-R454 WeakPolarHBondContact O-CB 3.44Å; T451-R454 PolarHBondContact O-N 3.41Å; T451-R454 VanDerWaalsContact O-N 3.15Å; V452-R454 VanDerWaalsContact C-N 3.32Å; V452-R454 PolarHBondContact O-N 3.43Å; R454-V457 PolarHBondContact O-N 3.43Å; R454-A458 WeakPolarHBondContact O-CB 3.01Å; R454-A458 PolarHBondContact O-N 3.44Å |
| 455 | I | 92 | Very high | 89.3 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 11% | 0.108 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.8 | -46 | 175.4 | -67.4 | 160.9 | 0 | 0 | 0 | 110.2 | F371 Q372 M375 T451 V452 T453 V457 A458 F459 | F371-I455 HydrophobicContact CD1-CB 4.44Å; F371-I455 HydrophobicContact CD1-CD1 4.29Å; F371-I455 HydrophobicContact CD1-CG2 4.05Å; F371-I455 HydrophobicContact CE1-CB 4.3Å; F371-I455 HydrophobicContact CE1-CG2 3.92Å; Q372-I455 HydrophobicContact CB-CD1 3.91Å; Q372-I455 HydrophobicContact CB-CG2 4.44Å; Q372-I455 HydrophobicContact CG-CD1 4.33Å; Q372-I455 HydrophobicContact CG-CG1 4.42Å; Q372-I455 HydrophobicContact CG-CG2 4.33Å; M375-I455 HydrophobicContact CB-CG2 4.23Å; M375-I455 HydrophobicContact CG-CG2 4.18Å; T451-I455 HydrophobicContact CG2-CD1 4.29Å; T451-I455 WeakPolarHBondContact O-CG1 3.33Å; T451-I455 PolarHBondContact O-N 3.37Å; V452-I455 WeakPolarHBondContact O-CB 3.35Å; V452-I455 PolarHBondContact O-N 3.03Å; V452-I455 VanDerWaalsContact O-N 3.08Å; T453-I455 VanDerWaalsContact C-N 3.31Å; T453-I455 PolarHBondContact O-N 3.44Å; I455-V457 PolarHBondContact O-N 3.35Å; I455-A458 PolarHBondContact O-N 2.95Å; I455-F459 PolarHBondContact O-N 3.16Å |
| 456 | I | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60 | -46.2 | 177.2 | -63.3 | 167.9 | 0 | 0 | 0 | 110.8 | F371 V452 T453 A458 F459 H460 F475 F478 F482 L532 | F371-I456 HydrophobicContact CE1-CG1 3.99Å; F371-I456 HydrophobicContact CZ-CD1 4.21Å; F371-I456 HydrophobicContact CZ-CG1 3.93Å; V452-I456 HydrophobicContact CG1-CD1 4.03Å; V452-I456 WeakPolarHBondContact O-CG1 3.31Å; V452-I456 PolarHBondContact O-N 3.05Å; T453-I456 PolarHBondContact O-N 2.79Å; I456-A458 VanDerWaalsContact C-N 3.34Å; I456-A458 PolarHBondContact O-N 3.45Å; I456-F459 PolarHBondContact O-N 3.16Å; I456-H460 PolarHBondContact O-N 2.83Å; I456-F475 HydrophobicContact CG2-CE2 4.36Å; I456-F475 HydrophobicContact CG2-CZ 3.73Å; I456-F478 HydrophobicContact CD1-CE1 3.92Å; I456-F478 HydrophobicContact CG1-CE1 3.95Å; I456-F478 HydrophobicContact CG2-CE1 4.08Å; I456-F482 HydrophobicContact CD1-CD1 4.19Å; I456-F482 HydrophobicContact CD1-CD2 4.23Å; I456-F482 HydrophobicContact CD1-CE1 4.37Å; I456-F482 HydrophobicContact CD1-CE2 4.4Å; I456-F482 HydrophobicContact CD1-CG 4.12Å; I456-F482 HydrophobicContact CD1-CZ 4.47Å; I456-L532 HydrophobicContact CG2-CD2 3.91Å |
| 457 | V | 89.5 | Confident | 88 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 177.1 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | T453 R454 I455 H460 R461 P531 L532 F534 | T453-V457 WeakPolarHBondContact O-CG2 3.44Å; T453-V457 PolarHBondContact O-N 3.22Å; R454-V457 PolarHBondContact O-N 3.43Å; I455-V457 PolarHBondContact O-N 3.35Å; V457-H460 PolarHBondContact O-N 3Å; V457-R461 WeakPolarHBondContact O-CG 3.45Å; V457-R461 PolarHBondContact O-N 3.38Å; V457-P531 HydrophobicContact CG2-CB 4.21Å; V457-P531 WeakPolarHBondContact CG2-O 3.3Å; V457-L532 HydrophobicContact CG2-CD2 3.63Å; V457-L532 HydrophobicContact CG2-CG 4.17Å; V457-F534 HydrophobicContact CG1-CE1 4.42Å; V457-F534 HydrophobicContact CG1-CZ 4.32Å |
| 458 | A | 89.3 | Confident | 87.4 | Confident | 58 Ų | 58 | 53.3 Ų | 53.3 | 48% | 0.479 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R454 I455 I456 R461 A462 | R454-A458 WeakPolarHBondContact O-CB 3.01Å; R454-A458 PolarHBondContact O-N 3.44Å; I455-A458 PolarHBondContact O-N 2.95Å; I456-A458 VanDerWaalsContact C-N 3.34Å; I456-A458 PolarHBondContact O-N 3.45Å; A458-R461 PolarHBondContact O-N 3.16Å; A458-A462 PolarHBondContact O-N 3Å |
| 459 | F | 88 | Confident | 86.6 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.4 | -49.9 | 174.2 | -179.4 | -91.9 | 0 | 0 | 0 | 111.3 | M375 Y378 L380 I455 I456 R461 A462 E463 F467 F475 | M375-F459 HydrophobicContact CE-CB 3.81Å; M375-F459 HydrophobicContact CE-CD1 3.6Å; M375-F459 HydrophobicContact CE-CD2 3.79Å; M375-F459 HydrophobicContact CE-CE1 4.09Å; M375-F459 HydrophobicContact CE-CE2 4.26Å; M375-F459 HydrophobicContact CE-CG 3.43Å; M375-F459 VanDerWaalsContact CE-CG 3.43Å; M375-F459 HydrophobicContact CE-CZ 4.4Å; M375-F459 VanDerWaalsContact O-CE2 3.29Å; M375-F459 WeakPolarHBondContact O-CE2 3.35Å; Y378-F459 HydrophobicContact CD1-CZ 4.32Å; L380-F459 HydrophobicContact CD1-CE1 4.26Å; I455-F459 PolarHBondContact O-N 3.16Å; I456-F459 PolarHBondContact O-N 3.16Å; F459-R461 VanDerWaalsContact C-N 3.34Å; F459-R461 PolarHBondContact O-N 3.34Å; F459-A462 PolarHBondContact O-N 3.06Å; F459-A462 VanDerWaalsContact O-N 3.11Å; F459-E463 HydrophobicContact CE2-CG 4.31Å; F459-E463 HydrophobicContact CZ-CG 4.24Å; F459-E463 WeakPolarHBondContact CZ-OE2 3.34Å; F459-E463 PolarHBondContact O-N 3.41Å; F459-F467 HydrophobicContact CE1-CE1 4.5Å; F459-F467 HydrophobicContact CE1-CZ 4.06Å; F459-F475 HydrophobicContact CD1-CD2 4.33Å; F459-F475 AromaticContact CD1-CE2 3.66Å; F459-F475 HydrophobicContact CD1-CE2 3.66Å; F459-F475 HydrophobicContact CD1-CZ 4.41Å; F459-F475 HydrophobicContact CE1-CD2 4.29Å; F459-F475 HydrophobicContact CE1-CE2 4.06Å |
| 460 | H | 87.3 | Confident | 85.9 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 5% | 0.051 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.2 | -48.6 | 175.4 | -179.6 | -95.6 | 0 | 0 | 0 | 111.6 | I456 V457 A462 E463 Q464 F475 F534 I535 | I456-H460 PolarHBondContact O-N 2.83Å; V457-H460 PolarHBondContact O-N 3Å; H460-A462 VanDerWaalsContact C-N 3.25Å; H460-A462 PolarHBondContact O-N 3.16Å; H460-E463 PolarHBondContact O-N 3.34Å; H460-Q464 PolarHBondContact CE1-OE1 3.09Å; H460-Q464 VanDerWaalsContact CE1-OE1 3.32Å; H460-Q464 WeakPolarHBondContact O-CA 3.45Å; H460-Q464 WeakPolarHBondContact O-CB 3.33Å; H460-Q464 PolarHBondContact O-N 2.8Å; H460-F475 HydrophobicContact CB-CE1 3.66Å; H460-F475 HydrophobicContact CB-CZ 3.67Å; H460-F475 AromaticContact CD2-CD1 3.59Å; H460-F475 AromaticContact CD2-CE1 3.39Å; H460-F475 WeakPolarHBondContact CD2-CE1 3.38Å; H460-F475 AromaticContact CG-CE1 3.81Å; H460-F534 AromaticContact CE1-CE2 3.96Å; H460-F534 AromaticContact ND1-CE2 3.9Å; H460-I535 HydrophobicContact CB-CD1 4.07Å |
| 461 | R | 86.5 | Confident | 85.3 | Confident | 183 Ų | 183 | 64.9 Ų | 64.9 | 69% | 0.691 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.1 | -30.1 | -179.9 | -74.4 | 179.2 | -178.6 | 175.9 | 2.3 | 113.7 | V457 A458 F459 | V457-R461 WeakPolarHBondContact O-CG 3.45Å; V457-R461 PolarHBondContact O-N 3.38Å; A458-R461 PolarHBondContact O-N 3.16Å; F459-R461 VanDerWaalsContact C-N 3.34Å; F459-R461 PolarHBondContact O-N 3.34Å |
| 462 | A | 85.2 | Confident | 84.8 | Confident | 74 Ų | 74 | 67.5 Ų | 67.5 | 61% | 0.612 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -76.1 | -37.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | A458 F459 H460 | A458-A462 PolarHBondContact O-N 3Å; F459-A462 PolarHBondContact O-N 3.06Å; F459-A462 VanDerWaalsContact O-N 3.11Å; H460-A462 VanDerWaalsContact C-N 3.25Å; H460-A462 PolarHBondContact O-N 3.16Å |
| 463 | E | 82.1 | Confident | 84.3 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 34% | 0.341 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -106.3 | -7.3 | -172.5 | -60.2 | -148.3 | 153.6 | 0 | 0 | 115.1 | F459 H460 S465 A466 F467 | F459-E463 HydrophobicContact CE2-CG 4.31Å; F459-E463 HydrophobicContact CZ-CG 4.24Å; F459-E463 WeakPolarHBondContact CZ-OE2 3.34Å; F459-E463 PolarHBondContact O-N 3.41Å; H460-E463 PolarHBondContact O-N 3.34Å; E463-S465 PolarHBondContact O-N 3.07Å; E463-A466 WeakPolarHBondContact O-CA 3.47Å; E463-A466 PolarHBondContact O-N 2.8Å; E463-F467 HydrophobicContact CB-CD1 4.15Å; E463-F467 HydrophobicContact CB-CE1 3.41Å; E463-F467 VanDerWaalsContact CB-CE1 3.41Å; E463-F467 HydrophobicContact CB-CE2 4.39Å; E463-F467 HydrophobicContact CB-CZ 3.57Å; E463-F467 HydrophobicContact CG-CE1 4.46Å; E463-F467 PolarHBondContact O-N 3.39Å; E463-F467 WeakPolarHBondContact OE2-CE1 3.24Å |
| 464 | Q | 78.4 | Confident | 83.9 | Confident | 106 Ų | 106 | 74.1 Ų | 74.1 | 50% | 0.495 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -34.3 | -176.3 | -176.7 | 177.8 | 7.6 | 0 | 0 | 113.5 | H460 A466 | H460-Q464 PolarHBondContact CE1-OE1 3.09Å; H460-Q464 VanDerWaalsContact CE1-OE1 3.32Å; H460-Q464 WeakPolarHBondContact O-CA 3.45Å; H460-Q464 WeakPolarHBondContact O-CB 3.33Å; H460-Q464 PolarHBondContact O-N 2.8Å; Q464-A466 VanDerWaalsContact C-N 3.28Å; Q464-A466 PolarHBondContact O-N 3.37Å |
| 465 | S | 73.8 | Confident | 83.6 | Confident | 122 Ų | 122 | 66.6 Ų | 66.6 | 85% | 0.853 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -14.3 | 177.5 | 56 | 0 | 0 | 0 | 0 | 114.3 | E463 | E463-S465 PolarHBondContact O-N 3.07Š|
| 466 | A | 77.6 | Confident | 83.4 | Confident | 77 Ų | 77 | 67.6 Ų | 67.6 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -12.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E463 Q464 | E463-A466 WeakPolarHBondContact O-CA 3.47Å; E463-A466 PolarHBondContact O-N 2.8Å; Q464-A466 VanDerWaalsContact C-N 3.28Å; Q464-A466 PolarHBondContact O-N 3.37Å |
| 467 | F | 80.6 | Confident | 83.1 | Confident | 32 Ų | 32 | 72.6 Ų | 72.6 | 14% | 0.14 | 40% | 0.397 | C | S | . | . | trans | -66.3 | 134.3 | -179.6 | -69.4 | -25.7 | 0 | 0 | 0 | 113 | L380 F459 E463 E471 F475 | L380-F467 HydrophobicContact CD1-CD1 4.06Å; L380-F467 HydrophobicContact CD1-CE1 3.33Å; L380-F467 HydrophobicContact CD1-CE2 4.44Å; L380-F467 HydrophobicContact CD1-CZ 3.55Å; F459-F467 HydrophobicContact CE1-CE1 4.5Å; F459-F467 HydrophobicContact CE1-CZ 4.06Å; E463-F467 HydrophobicContact CB-CD1 4.15Å; E463-F467 HydrophobicContact CB-CE1 3.41Å; E463-F467 VanDerWaalsContact CB-CE1 3.41Å; E463-F467 HydrophobicContact CB-CE2 4.39Å; E463-F467 HydrophobicContact CB-CZ 3.57Å; E463-F467 HydrophobicContact CG-CE1 4.46Å; E463-F467 PolarHBondContact O-N 3.39Å; E463-F467 WeakPolarHBondContact OE2-CE1 3.24Å; F467-E471 HydrophobicContact CB-CB 4.28Å; F467-E471 HydrophobicContact CD1-CB 4.09Å; F467-E471 HydrophobicContact CG-CB 4.35Å; F467-F475 HydrophobicContact CE2-CB 4.47Å; F467-F475 HydrophobicContact CE2-CG 4.3Å; F467-F475 HydrophobicContact CZ-CD2 4.42Å | ||
| 468 | S | 80.4 | Confident | 83 | Confident | 54 Ų | 54 | 72.1 Ų | 72.1 | 38% | 0.378 | 39% | 0.393 | S | S | . | . | trans | -74.2 | 158.3 | 158.1 | 65.5 | 0 | 0 | 0 | 0 | 110.4 | R470 E471 E472 | S468-R470 PolarHBondContact O-N 2.89Å; S468-E471 WeakPolarHBondContact CB-OE2 3.33Å; S468-E471 PolarHBondContact N-OE2 2.94Å; S468-E471 PolarHBondContact O-N 3.28Å; S468-E471 WeakPolarHBondContact OG-CG 3.44Å; S468-E471 PolarHBondContact OG-N 3.41Å; S468-E471 PolarHBondContact OG-OE2 2.96Å; S468-E472 PolarHBondContact O-N 2.94Å | ||
| 469 | S | 78.7 | Confident | 83 | Confident | 92 Ų | 92 | 69.3 Ų | 69.3 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -54.7 | -30.7 | 178.6 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | D473 | S469-D473 PolarHBondContact O-N 2.93Å |
| 470 | R | 78.6 | Confident | 83 | Confident | 169 Ų | 169 | 69.6 Ų | 69.6 | 64% | 0.638 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -75.9 | -33.5 | 177.7 | -171.4 | 174.4 | -179.4 | 176.6 | -0.5 | 112.8 | S468 L474 | S468-R470 PolarHBondContact O-N 2.89Å; R470-L474 VanDerWaalsContact O-CG 3.29Å; R470-L474 WeakPolarHBondContact O-CG 3.5Å; R470-L474 PolarHBondContact O-N 3.42Å; R470-L474 VanDerWaalsContact O-N 3.14Å |
| 471 | E | 81.4 | Confident | 83 | Confident | 57 Ų | 57 | 69.8 Ų | 69.8 | 27% | 0.266 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -73.9 | -34.9 | 175.5 | -72.7 | 160 | 152.6 | 0 | 0 | 111.1 | L380 F467 S468 L474 F475 | L380-E471 HydrophobicContact CB-CB 4.16Å; L380-E471 HydrophobicContact CB-CG 3.98Å; L380-E471 HydrophobicContact CD1-CB 4.38Å; F467-E471 HydrophobicContact CB-CB 4.28Å; F467-E471 HydrophobicContact CD1-CB 4.09Å; F467-E471 HydrophobicContact CG-CB 4.35Å; S468-E471 WeakPolarHBondContact CB-OE2 3.33Å; S468-E471 PolarHBondContact N-OE2 2.94Å; S468-E471 PolarHBondContact O-N 3.28Å; S468-E471 WeakPolarHBondContact OG-CG 3.44Å; S468-E471 PolarHBondContact OG-N 3.41Å; S468-E471 PolarHBondContact OG-OE2 2.96Å; E471-L474 PolarHBondContact O-N 3.03Å; E471-F475 WeakPolarHBondContact O-CB 3.45Å; E471-F475 PolarHBondContact O-N 3.37Å |
| 472 | E | 82.2 | Confident | 83.1 | Confident | 97 Ų | 97 | 61 Ų | 61 | 45% | 0.453 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 172.2 | -166.4 | 172.8 | -168.5 | 0 | 0 | 111.2 | S468 L474 F475 V476 | S468-E472 PolarHBondContact O-N 2.94Å; E472-L474 PolarHBondContact O-N 3.24Å; E472-F475 PolarHBondContact O-N 3Å; E472-V476 WeakPolarHBondContact O-CG2 3.29Å; E472-V476 PolarHBondContact O-N 3.34Å |
| 473 | D | 83.6 | Confident | 83.2 | Confident | 105 Ų | 105 | 57.8 Ų | 57.8 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.2 | -42.6 | 174.4 | -72.9 | -26.5 | 0 | 0 | 0 | 112.5 | S469 F475 V476 Q477 | S469-D473 PolarHBondContact O-N 2.93Å; D473-F475 VanDerWaalsContact C-N 3.32Å; D473-F475 PolarHBondContact O-N 3.42Å; D473-V476 PolarHBondContact O-N 2.99Å; D473-Q477 WeakPolarHBondContact O-CG 3.48Å; D473-Q477 PolarHBondContact O-N 3.19Å |
| 474 | L | 84 | Confident | 83.4 | Confident | 33 Ų | 33 | 58 Ų | 58 | 17% | 0.173 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66 | -34.8 | 176.7 | -74.1 | 170.1 | 0 | 0 | 0 | 112.1 | L380 A382 R470 E471 E472 Q477 F478 | L380-L474 HydrophobicContact CD2-CB 4.06Å; A382-L474 HydrophobicContact CB-CD1 4.06Å; R470-L474 VanDerWaalsContact O-CG 3.29Å; R470-L474 WeakPolarHBondContact O-CG 3.5Å; R470-L474 PolarHBondContact O-N 3.42Å; R470-L474 VanDerWaalsContact O-N 3.14Å; E471-L474 PolarHBondContact O-N 3.03Å; E472-L474 PolarHBondContact O-N 3.24Å; L474-Q477 PolarHBondContact O-N 3.38Å; L474-F478 WeakPolarHBondContact O-CB 3.13Å; L474-F478 PolarHBondContact O-N 3.49Å |
| 475 | F | 86.1 | Confident | 83.8 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.013 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71 | -36.1 | 176.5 | -170.4 | -97.2 | 0 | 0 | 0 | 112.1 | L380 I456 F459 H460 F467 E471 E472 D473 Q477 F478 C479 I535 | L380-F475 HydrophobicContact CD1-CB 4.11Å; L380-F475 HydrophobicContact CD1-CD2 4.1Å; L380-F475 HydrophobicContact CD2-CB 4.28Å; L380-F475 HydrophobicContact CD2-CD2 4.42Å; I456-F475 HydrophobicContact CG2-CE2 4.36Å; I456-F475 HydrophobicContact CG2-CZ 3.73Å; F459-F475 HydrophobicContact CD1-CD2 4.33Å; F459-F475 AromaticContact CD1-CE2 3.66Å; F459-F475 HydrophobicContact CD1-CE2 3.66Å; F459-F475 HydrophobicContact CD1-CZ 4.41Å; F459-F475 HydrophobicContact CE1-CD2 4.29Å; F459-F475 HydrophobicContact CE1-CE2 4.06Å; H460-F475 HydrophobicContact CB-CE1 3.66Å; H460-F475 HydrophobicContact CB-CZ 3.67Å; H460-F475 AromaticContact CD2-CD1 3.59Å; H460-F475 AromaticContact CD2-CE1 3.39Å; H460-F475 WeakPolarHBondContact CD2-CE1 3.38Å; H460-F475 AromaticContact CG-CE1 3.81Å; F467-F475 HydrophobicContact CE2-CB 4.47Å; F467-F475 HydrophobicContact CE2-CG 4.3Å; F467-F475 HydrophobicContact CZ-CD2 4.42Å; E471-F475 WeakPolarHBondContact O-CB 3.45Å; E471-F475 PolarHBondContact O-N 3.37Å; E472-F475 PolarHBondContact O-N 3Å; D473-F475 VanDerWaalsContact C-N 3.32Å; D473-F475 PolarHBondContact O-N 3.42Å; F475-Q477 VanDerWaalsContact C-N 3.34Å; F475-F478 HydrophobicContact CE2-CD1 4.4Å; F475-F478 WeakPolarHBondContact O-CB 3.35Å; F475-F478 PolarHBondContact O-N 2.8Å; F475-C479 WeakPolarHBondContact CE1-SG 3.35Å; F475-C479 PolarHBondContact O-N 3.16Å; F475-C479 PolarHBondContact O-SG 3.01Å; F475-I535 HydrophobicContact CD1-CG2 4.1Å; F475-I535 HydrophobicContact CE1-CD1 3.85Å; F475-I535 HydrophobicContact CE1-CG2 4.09Å |
| 476 | V | 86.8 | Confident | 84.5 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 26% | 0.261 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 170.7 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | E472 D473 C479 S480 I535 P537 | E472-V476 WeakPolarHBondContact O-CG2 3.29Å; E472-V476 PolarHBondContact O-N 3.34Å; D473-V476 PolarHBondContact O-N 2.99Å; V476-C479 PolarHBondContact O-N 3.26Å; V476-S480 WeakPolarHBondContact O-CB 3.38Å; V476-S480 PolarHBondContact O-N 3.49Å; V476-S480 PolarHBondContact O-OG 3.05Å; V476-I535 HydrophobicContact CG2-CG2 4.28Å; V476-P537 HydrophobicContact CG1-CG 4.1Å |
| 477 | Q | 85.4 | Confident | 85.1 | Confident | 105 Ų | 105 | 45.7 Ų | 45.7 | 49% | 0.491 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 173.5 | -70.6 | 174.2 | 12 | 0 | 0 | 111.7 | F412 D473 L474 F475 C479 S480 S481 | F412-Q477 HydrophobicContact CZ-CB 3.81Å; D473-Q477 WeakPolarHBondContact O-CG 3.48Å; D473-Q477 PolarHBondContact O-N 3.19Å; L474-Q477 PolarHBondContact O-N 3.38Å; F475-Q477 VanDerWaalsContact C-N 3.34Å; Q477-C479 PolarHBondContact O-N 3.06Å; Q477-S480 PolarHBondContact O-N 2.86Å; Q477-S481 PolarHBondContact O-N 3.26Å; Q477-S481 PolarHBondContact O-OG 3.41Å |
| 478 | F | 88 | Confident | 85.5 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.2 | -48 | 173.8 | 175.3 | -83.3 | 0 | 0 | 0 | 111.7 | F371 M375 Y378 F412 L415 I456 L474 F475 S480 S481 F482 | F371-F478 HydrophobicContact CE2-CZ 4.5Å; F371-F478 HydrophobicContact CZ-CZ 4.18Å; M375-F478 HydrophobicContact CE-CZ 4.37Å; M375-F478 HydrophobicContact SD-CE2 4.32Å; M375-F478 HydrophobicContact SD-CZ 3.81Å; Y378-F478 HydrophobicContact CE1-CD2 4.46Å; F412-F478 HydrophobicContact CB-CD2 3.76Å; F412-F478 HydrophobicContact CB-CE2 4.12Å; F412-F478 HydrophobicContact CD1-CB 3.87Å; F412-F478 AromaticContact CD1-CD2 3.58Å; F412-F478 HydrophobicContact CD1-CD2 3.58Å; F412-F478 HydrophobicContact CD1-CG 4.21Å; F412-F478 HydrophobicContact CE1-CB 3.77Å; F412-F478 HydrophobicContact CE1-CD2 4.35Å; F412-F478 HydrophobicContact CG-CB 4.37Å; F412-F478 AromaticContact CG-CD2 3.74Å; F412-F478 HydrophobicContact CG-CD2 3.74Å; F412-F478 HydrophobicContact CG-CG 4.48Å; F412-F478 HydrophobicContact CZ-CB 4.21Å; L415-F478 HydrophobicContact CD1-CD1 4.42Å; L415-F478 HydrophobicContact CD1-CD2 3.82Å; L415-F478 HydrophobicContact CD1-CE1 4.27Å; L415-F478 HydrophobicContact CD1-CE2 3.68Å; L415-F478 HydrophobicContact CD1-CG 4.19Å; L415-F478 HydrophobicContact CD1-CZ 3.9Å; L415-F478 HydrophobicContact CD2-CE1 4.24Å; L415-F478 HydrophobicContact CD2-CE2 4.17Å; L415-F478 HydrophobicContact CD2-CZ 3.71Å; L415-F478 HydrophobicContact CG-CD2 4.16Å; L415-F478 HydrophobicContact CG-CE1 4.33Å; L415-F478 HydrophobicContact CG-CE2 3.49Å; L415-F478 VanDerWaalsContact CG-CE2 3.49Å; L415-F478 HydrophobicContact CG-CZ 3.58Å; I456-F478 HydrophobicContact CD1-CE1 3.92Å; I456-F478 HydrophobicContact CG1-CE1 3.95Å; I456-F478 HydrophobicContact CG2-CE1 4.08Å; L474-F478 WeakPolarHBondContact O-CB 3.13Å; L474-F478 PolarHBondContact O-N 3.49Å; F475-F478 HydrophobicContact CE2-CD1 4.4Å; F475-F478 WeakPolarHBondContact O-CB 3.35Å; F475-F478 PolarHBondContact O-N 2.8Å; F478-S480 VanDerWaalsContact C-N 3.35Å; F478-S481 PolarHBondContact O-N 3.26Å; F478-F482 PolarHBondContact O-N 3.08Å |
| 479 | C | 88.2 | Confident | 86 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -38.9 | 178 | -66.6 | 0 | 0 | 0 | 0 | 111.7 | F475 V476 Q477 F482 A483 I535 L536 | F475-C479 WeakPolarHBondContact CE1-SG 3.35Å; F475-C479 PolarHBondContact O-N 3.16Å; F475-C479 PolarHBondContact O-SG 3.01Å; V476-C479 PolarHBondContact O-N 3.26Å; Q477-C479 PolarHBondContact O-N 3.06Å; C479-F482 PolarHBondContact O-N 3.47Å; C479-A483 WeakPolarHBondContact O-CB 3.04Å; C479-A483 PolarHBondContact O-N 2.9Å; C479-I535 HydrophobicContact CB-CG2 4.44Å; C479-L536 HydrophobicContact CB-CD2 3.85Å |
| 480 | S | 87.3 | Confident | 86.5 | Confident | 25 Ų | 25 | 39.5 Ų | 39.5 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 175.5 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | V476 Q477 F478 F482 A483 D484 | V476-S480 WeakPolarHBondContact O-CB 3.38Å; V476-S480 PolarHBondContact O-N 3.49Å; V476-S480 PolarHBondContact O-OG 3.05Å; Q477-S480 PolarHBondContact O-N 2.86Å; F478-S480 VanDerWaalsContact C-N 3.35Å; S480-F482 VanDerWaalsContact C-N 3.35Å; S480-F482 PolarHBondContact O-N 2.95Å; S480-A483 PolarHBondContact O-N 3.23Å; S480-D484 WeakPolarHBondContact O-CB 3.46Å; S480-D484 PolarHBondContact O-N 2.89Å |
| 481 | S | 87.3 | Confident | 87 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.5 | -34.2 | 175.2 | -72.1 | 0 | 0 | 0 | 0 | 113.1 | Q477 F478 D485 L486 | Q477-S481 PolarHBondContact O-N 3.26Å; Q477-S481 PolarHBondContact O-OG 3.41Å; F478-S481 PolarHBondContact O-N 3.26Å; S481-D485 VanDerWaalsContact O-CB 3.3Å; S481-D485 WeakPolarHBondContact O-CB 3.4Å; S481-D485 PolarHBondContact O-N 3.45Å; S481-D485 VanDerWaalsContact O-N 3.16Å; S481-D485 PolarHBondContact OG-OD2 2.76Å; S481-L486 PolarHBondContact O-N 3.2Å; S481-L486 VanDerWaalsContact O-N 3.07Å |
| 482 | F | 88.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -62.3 | -46.2 | 170.3 | 176.1 | -108.1 | 0 | 0 | 0 | 111.5 | L415 L449 V452 I456 F478 C479 S480 L486 L487 I528 L529 L532 | L415-F482 HydrophobicContact CD1-CB 4.21Å; L415-F482 HydrophobicContact CD2-CB 4.22Å; L415-F482 HydrophobicContact CD2-CD2 3.87Å; L415-F482 HydrophobicContact CD2-CG 4.46Å; L449-F482 HydrophobicContact CD2-CE2 4.37Å; V452-F482 HydrophobicContact CG1-CE2 3.85Å; V452-F482 HydrophobicContact CG1-CZ 4.21Å; I456-F482 HydrophobicContact CD1-CD1 4.19Å; I456-F482 HydrophobicContact CD1-CD2 4.23Å; I456-F482 HydrophobicContact CD1-CE1 4.37Å; I456-F482 HydrophobicContact CD1-CE2 4.4Å; I456-F482 HydrophobicContact CD1-CG 4.12Å; I456-F482 HydrophobicContact CD1-CZ 4.47Å; F478-F482 PolarHBondContact O-N 3.08Å; C479-F482 PolarHBondContact O-N 3.47Å; S480-F482 VanDerWaalsContact C-N 3.35Å; S480-F482 PolarHBondContact O-N 2.95Å; F482-L486 HydrophobicContact CD2-CD2 4.01Å; F482-L486 HydrophobicContact CE2-CD2 3.98Å; F482-L487 HydrophobicContact CE1-CD1 4.14Å; F482-L487 HydrophobicContact CE1-CG 4.47Å; F482-L487 HydrophobicContact CE2-CD2 4.33Å; F482-L487 HydrophobicContact CZ-CD1 4.45Å; F482-L487 HydrophobicContact CZ-CD2 4.08Å; F482-L487 HydrophobicContact CZ-CG 4.39Å; F482-L487 WeakPolarHBondContact O-CG 3.45Å; F482-L487 PolarHBondContact O-N 3.48Å; F482-I528 HydrophobicContact CE1-CG2 4.34Å; F482-I528 HydrophobicContact CZ-CG2 4.33Å; F482-L529 HydrophobicContact CD1-CD2 4.17Å; F482-L529 HydrophobicContact CE1-CD2 4.14Å; F482-L532 HydrophobicContact CD1-CD1 3.9Å; F482-L532 HydrophobicContact CE1-CD1 4.02Å |
| 483 | A | 88.6 | Confident | 87.6 | Confident | 5 Ų | 5 | 31.7 Ų | 31.7 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -73.2 | -46.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | C479 S480 P488 L529 L536 | C479-A483 WeakPolarHBondContact O-CB 3.04Å; C479-A483 PolarHBondContact O-N 2.9Å; S480-A483 PolarHBondContact O-N 3.23Å; A483-P488 WeakPolarHBondContact O-CD 3.44Å; A483-L529 HydrophobicContact CB-CD1 3.76Å; A483-L529 HydrophobicContact CB-CD2 3.74Å; A483-L529 HydrophobicContact CB-CG 4.42Å; A483-L536 HydrophobicContact CB-CD1 4.25Å; A483-L536 HydrophobicContact CB-CD2 4.04Å |
| 484 | D | 86.8 | Confident | 87.9 | Confident | 79 Ų | 79 | 26.7 Ų | 26.7 | 42% | 0.422 | 14% | 0.138 | S | C | . | . | I | π-helix | trans | -97.6 | -26.2 | -169.1 | -69.2 | -35.1 | 0 | 0 | 0 | 113.5 | S480 P488 K539 | S480-D484 WeakPolarHBondContact O-CB 3.46Å; S480-D484 PolarHBondContact O-N 2.89Å; D484-P488 VanDerWaalsContact O-CG 3.31Å; D484-P488 WeakPolarHBondContact O-CG 3.48Å; D484-K539 IonicContact OD1-NZ 2.63Å; D484-K539 PolarHBondContact OD1-NZ 2.78Å; D484-K539 IonicContact OD2-NZ 3.92Å |
| 485 | D | 86.8 | Confident | 88 | Confident | 45 Ų | 45 | 27.9 Ų | 27.9 | 24% | 0.241 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -103.4 | -54.8 | -179.6 | -59.7 | -45.4 | 0 | 0 | 0 | 112 | P406 T408 L409 S481 F489 | P406-D485 HydrophobicContact CB-CB 3.98Å; P406-D485 HydrophobicContact CG-CB 4.11Å; T408-D485 WeakPolarHBondContact CB-OD2 3.17Å; T408-D485 PolarHBondContact OG1-OD2 3.48Å; L409-D485 HydrophobicContact CD2-CB 4.31Å; L409-D485 HydrophobicContact CG-CB 4.48Å; S481-D485 VanDerWaalsContact O-CB 3.3Å; S481-D485 WeakPolarHBondContact O-CB 3.4Å; S481-D485 PolarHBondContact O-N 3.45Å; S481-D485 VanDerWaalsContact O-N 3.16Å; S481-D485 PolarHBondContact OG-OD2 2.76Å; D485-F489 WeakPolarHBondContact O-CB 3.43Å; D485-F489 PolarHBondContact O-N 3.37Å |
| 486 | L | 88.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -72.7 | -51.8 | -170.7 | -172.6 | 146.3 | 0 | 0 | 0 | 112.8 | L409 L415 F418 L419 L449 S481 F482 F489 L490 | L409-L486 HydrophobicContact CD1-CB 4.26Å; L409-L486 HydrophobicContact CD1-CD1 4.32Å; L409-L486 HydrophobicContact CD2-CB 4.19Å; L409-L486 HydrophobicContact CD2-CD1 4.5Å; L415-L486 HydrophobicContact CB-CD1 4.21Å; L415-L486 HydrophobicContact CD2-CD1 4.3Å; F418-L486 HydrophobicContact CD1-CD1 4.25Å; F418-L486 HydrophobicContact CE1-CD2 4.46Å; L419-L486 HydrophobicContact CB-CD1 4.23Å; L449-L486 HydrophobicContact CD2-CD2 4.26Å; S481-L486 PolarHBondContact O-N 3.2Å; S481-L486 VanDerWaalsContact O-N 3.07Å; F482-L486 HydrophobicContact CD2-CD2 4.01Å; F482-L486 HydrophobicContact CE2-CD2 3.98Å; L486-F489 PolarHBondContact O-N 2.9Å; L486-L490 HydrophobicContact CD2-CD1 3.53Å; L486-L490 HydrophobicContact CD2-CG 4.2Å; L486-L490 HydrophobicContact CG-CD1 4.39Å; L486-L490 WeakPolarHBondContact O-CG 3.49Å; L486-L490 PolarHBondContact O-N 2.98Å |
| 487 | L | 89.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | -178.3 | -65.5 | 176.9 | 0 | 0 | 0 | 113.2 | L449 F482 F489 L490 T491 V525 I528 L529 | L449-L487 HydrophobicContact CB-CD2 4.49Å; L449-L487 HydrophobicContact CD1-CD2 3.74Å; L449-L487 HydrophobicContact CD2-CD2 3.83Å; L449-L487 HydrophobicContact CG-CD2 4.23Å; F482-L487 HydrophobicContact CE1-CD1 4.14Å; F482-L487 HydrophobicContact CE1-CG 4.47Å; F482-L487 HydrophobicContact CE2-CD2 4.33Å; F482-L487 HydrophobicContact CZ-CD1 4.45Å; F482-L487 HydrophobicContact CZ-CD2 4.08Å; F482-L487 HydrophobicContact CZ-CG 4.39Å; F482-L487 WeakPolarHBondContact O-CG 3.45Å; F482-L487 PolarHBondContact O-N 3.48Å; L487-F489 VanDerWaalsContact C-N 3.33Å; L487-F489 PolarHBondContact O-N 2.69Å; L487-L490 PolarHBondContact O-N 3.14Å; L487-T491 PolarHBondContact O-N 2.96Å; L487-T491 PolarHBondContact O-OG1 3.24Å; L487-V525 HydrophobicContact CB-CG1 4.47Å; L487-V525 HydrophobicContact CD1-CG1 4.01Å; L487-I528 HydrophobicContact CD1-CG2 4.02Å; L487-I528 HydrophobicContact CD2-CD1 4.39Å; L487-I528 HydrophobicContact CD2-CG2 4.23Å; L487-L529 HydrophobicContact CD1-CD1 4.29Å; L487-L529 HydrophobicContact CD1-CD2 3.59Å; L487-L529 HydrophobicContact CD1-CG 3.85Å |
| 488 | P | 88.8 | Confident | 88.3 | Confident | 45 Ų | 45 | 26.5 Ų | 26.5 | 29% | 0.292 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -67 | -35.6 | 176.8 | -25.3 | 39.9 | 0 | 0 | 0 | 112 | A483 D484 T491 R492 | A483-P488 WeakPolarHBondContact O-CD 3.44Å; D484-P488 VanDerWaalsContact O-CG 3.31Å; D484-P488 WeakPolarHBondContact O-CG 3.48Å; P488-T491 PolarHBondContact O-N 3.31Å; P488-R492 WeakPolarHBondContact O-CG 3.44Å; P488-R492 PolarHBondContact O-N 3.37Å |
| 489 | F | 89.8 | Confident | 88.4 | Confident | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 174.8 | -179.8 | -105.2 | 0 | 0 | 0 | 112.1 | L403 Q404 P405 P406 L419 L423 D485 L486 L487 T491 R492 C493 | L403-F489 HydrophobicContact CD2-CE2 3.98Å; L403-F489 HydrophobicContact CD2-CZ 4.44Å; Q404-F489 WeakPolarHBondContact O-CE2 3.47Å; P405-F489 HydrophobicContact CB-CZ 4.41Å; P405-F489 HydrophobicContact CG-CZ 4.37Å; P406-F489 HydrophobicContact CG-CB 4.11Å; P406-F489 HydrophobicContact CG-CD2 4.47Å; P406-F489 HydrophobicContact CG-CG 4.24Å; L419-F489 HydrophobicContact CD1-CD1 3.75Å; L419-F489 HydrophobicContact CD1-CE1 3.85Å; L419-F489 HydrophobicContact CD2-CD1 3.95Å; L419-F489 HydrophobicContact CD2-CE1 3.96Å; L419-F489 HydrophobicContact CG-CD1 4.46Å; L419-F489 HydrophobicContact CG-CE1 4.35Å; L423-F489 HydrophobicContact CD1-CE1 4.23Å; L423-F489 HydrophobicContact CD2-CE1 4.01Å; L423-F489 HydrophobicContact CD2-CZ 4.49Å; D485-F489 WeakPolarHBondContact O-CB 3.43Å; D485-F489 PolarHBondContact O-N 3.37Å; L486-F489 PolarHBondContact O-N 2.9Å; L487-F489 VanDerWaalsContact C-N 3.33Å; L487-F489 PolarHBondContact O-N 2.69Å; F489-T491 VanDerWaalsContact C-N 3.29Å; F489-T491 PolarHBondContact O-N 2.91Å; F489-R492 WeakPolarHBondContact O-CB 3.37Å; F489-R492 PolarHBondContact O-N 3.27Å; F489-R492 VanDerWaalsContact O-N 3.12Å; F489-C493 PolarHBondContact O-N 3.05Å; F489-C493 PolarHBondContact O-SG 3.48Å; F489-C493 VanDerWaalsContact O-SG 3.36Å |
| 490 | L | 90.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.9 | -36.9 | 175.4 | -70.9 | -178.4 | 0 | 0 | 0 | 112.5 | L419 I422 F426 L449 L486 L487 R492 C493 L494 I523 | L419-L490 HydrophobicContact CD1-CD2 3.58Å; L419-L490 HydrophobicContact CD1-CG 4.23Å; I422-L490 HydrophobicContact CB-CD2 4.23Å; I422-L490 HydrophobicContact CG2-CD2 3.57Å; F426-L490 HydrophobicContact CE2-CD2 3.97Å; L449-L490 HydrophobicContact CD1-CD1 4.23Å; L449-L490 HydrophobicContact CD2-CD1 3.82Å; L486-L490 HydrophobicContact CD2-CD1 3.53Å; L486-L490 HydrophobicContact CD2-CG 4.2Å; L486-L490 HydrophobicContact CG-CD1 4.39Å; L486-L490 WeakPolarHBondContact O-CG 3.49Å; L486-L490 PolarHBondContact O-N 2.98Å; L487-L490 PolarHBondContact O-N 3.14Å; L490-R492 VanDerWaalsContact C-N 3.34Å; L490-R492 PolarHBondContact O-N 3.37Å; L490-C493 WeakPolarHBondContact O-CB 3.34Å; L490-C493 PolarHBondContact O-N 3.49Å; L490-L494 PolarHBondContact O-N 3.48Å; L490-I523 HydrophobicContact CB-CD1 4.07Å |
| 491 | T | 88.3 | Confident | 88 | Confident | 20 Ų | 20 | 32.1 Ų | 32.1 | 12% | 0.123 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63 | -40.4 | 174.3 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | L487 P488 F489 L494 Q495 | L487-T491 PolarHBondContact O-N 2.96Å; L487-T491 PolarHBondContact O-OG1 3.24Å; P488-T491 PolarHBondContact O-N 3.31Å; F489-T491 VanDerWaalsContact C-N 3.29Å; F489-T491 PolarHBondContact O-N 2.91Å; T491-L494 PolarHBondContact O-N 2.86Å; T491-Q495 WeakPolarHBondContact O-CG 3.24Å; T491-Q495 PolarHBondContact O-N 3.11Å |
| 492 | R | 87.9 | Confident | 87.9 | Confident | 130 Ų | 130 | 36.3 Ų | 36.3 | 49% | 0.491 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 172.8 | -70.7 | -173.6 | -63.9 | -127.3 | 0 | 112 | L403 P488 F489 L490 L494 Q495 V496 | L403-R492 HydrophobicContact CD2-CB 4.3Å; P488-R492 WeakPolarHBondContact O-CG 3.44Å; P488-R492 PolarHBondContact O-N 3.37Å; F489-R492 WeakPolarHBondContact O-CB 3.37Å; F489-R492 PolarHBondContact O-N 3.27Å; F489-R492 VanDerWaalsContact O-N 3.12Å; L490-R492 VanDerWaalsContact C-N 3.34Å; L490-R492 PolarHBondContact O-N 3.37Å; R492-L494 VanDerWaalsContact C-N 3.34Å; R492-L494 PolarHBondContact O-N 3.02Å; R492-Q495 PolarHBondContact O-N 3.04Å; R492-V496 WeakPolarHBondContact O-CG2 3.34Å; R492-V496 PolarHBondContact O-N 3.18Å |
| 493 | C | 89.8 | Confident | 87.7 | Confident | 8 Ų | 8 | 36.8 Ų | 36.8 | 5% | 0.054 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58 | -45.3 | 175 | -66.3 | 0 | 0 | 0 | 0 | 111.7 | F426 F489 L490 Q495 V496 L497 | F426-C493 HydrophobicContact CD2-CB 3.89Å; F426-C493 HydrophobicContact CE2-CB 3.62Å; F489-C493 PolarHBondContact O-N 3.05Å; F489-C493 PolarHBondContact O-SG 3.48Å; F489-C493 VanDerWaalsContact O-SG 3.36Å; L490-C493 WeakPolarHBondContact O-CB 3.34Å; L490-C493 PolarHBondContact O-N 3.49Å; C493-Q495 PolarHBondContact O-N 2.78Å; C493-V496 PolarHBondContact O-N 3.03Å; C493-L497 PolarHBondContact O-N 3.49Å |
| 494 | L | 88.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 175.2 | -83 | -178.8 | 0 | 0 | 0 | 112.8 | F426 V441 L445 L490 T491 R492 V496 L497 F498 I523 | F426-L494 HydrophobicContact CE1-CD2 3.75Å; F426-L494 HydrophobicContact CE1-CG 4.38Å; F426-L494 HydrophobicContact CZ-CD2 3.85Å; F426-L494 HydrophobicContact CZ-CG 3.95Å; V441-L494 HydrophobicContact CG1-CD2 3.99Å; L445-L494 HydrophobicContact CD2-CD1 3.51Å; L445-L494 HydrophobicContact CD2-CD2 4.29Å; L445-L494 HydrophobicContact CD2-CG 3.86Å; L490-L494 PolarHBondContact O-N 3.48Å; T491-L494 PolarHBondContact O-N 2.86Å; R492-L494 VanDerWaalsContact C-N 3.34Å; R492-L494 PolarHBondContact O-N 3.02Å; L494-V496 PolarHBondContact O-N 2.85Å; L494-L497 PolarHBondContact O-N 3.28Å; L494-F498 HydrophobicContact CD2-CD2 4.32Å; L494-F498 HydrophobicContact CD2-CE2 4.28Å; L494-F498 PolarHBondContact O-N 2.87Å; L494-I523 HydrophobicContact CD1-CD1 3.96Å; L494-I523 HydrophobicContact CD1-CG1 3.53Å |
| 495 | Q | 87.2 | Confident | 87.5 | Confident | 58 Ų | 58 | 39.9 Ų | 39.9 | 27% | 0.271 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.9 | -24.3 | 177.3 | -71.2 | 174.1 | 10.2 | 0 | 0 | 113 | T491 R492 C493 F498 P499 P500 | T491-Q495 WeakPolarHBondContact O-CG 3.24Å; T491-Q495 PolarHBondContact O-N 3.11Å; R492-Q495 PolarHBondContact O-N 3.04Å; C493-Q495 PolarHBondContact O-N 2.78Å; Q495-F498 CarbonylContact O-C 3.52Å; Q495-F498 VanDerWaalsContact O-C 3.29Å; Q495-P499 VanDerWaalsContact O-CA 3.25Å; Q495-P499 WeakPolarHBondContact O-CA 3.47Å; Q495-P500 HydrophobicContact CG-CG 4.34Å |
| 496 | V | 88.3 | Confident | 87.4 | Confident | 93 Ų | 93 | 42.3 Ų | 42.3 | 56% | 0.564 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -78.6 | -38.3 | 172.2 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | L403 R492 C493 L494 | L403-V496 HydrophobicContact CD1-CB 3.89Å; L403-V496 HydrophobicContact CD1-CG1 3.86Å; L403-V496 HydrophobicContact CD1-CG2 3.69Å; L403-V496 HydrophobicContact CG-CG2 4.35Å; R492-V496 WeakPolarHBondContact O-CG2 3.34Å; R492-V496 PolarHBondContact O-N 3.18Å; C493-V496 PolarHBondContact O-N 3.03Å; L494-V496 PolarHBondContact O-N 2.85Å |
| 497 | L | 87.6 | Confident | 87.2 | Confident | 28 Ų | 28 | 46.4 Ų | 46.4 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 173.1 | -74 | 171 | 0 | 0 | 0 | 112.3 | F426 R430 C493 L494 | F426-L497 HydrophobicContact CB-CD1 3.92Å; F426-L497 HydrophobicContact CD1-CD1 3.37Å; F426-L497 HydrophobicContact CD2-CD1 4.35Å; F426-L497 HydrophobicContact CE1-CD1 3.88Å; F426-L497 HydrophobicContact CG-CD1 3.64Å; R430-L497 HydrophobicContact CB-CD2 3.85Å; R430-L497 HydrophobicContact CG-CD2 3.95Å; C493-L497 PolarHBondContact O-N 3.49Å; L494-L497 PolarHBondContact O-N 3.28Å |
| 498 | F | 89.4 | Confident | 86.8 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -127.4 | 83.1 | 179.4 | -55.4 | -74.3 | 0 | 0 | 0 | 110.3 | C433 L435 A438 V441 L494 Q495 P500 L503 | C433-F498 WeakPolarHBondContact SG-CE1 3.27Å; C433-F498 WeakPolarHBondContact SG-CZ 3.48Å; L435-F498 HydrophobicContact CD2-CD1 4.35Å; A438-F498 HydrophobicContact CB-CB 4.31Å; A438-F498 HydrophobicContact CB-CD1 3.55Å; A438-F498 HydrophobicContact CB-CD2 4.25Å; A438-F498 HydrophobicContact CB-CE1 3.79Å; A438-F498 HydrophobicContact CB-CE2 4.46Å; A438-F498 HydrophobicContact CB-CG 3.78Å; A438-F498 HydrophobicContact CB-CZ 4.24Å; V441-F498 HydrophobicContact CB-CE2 3.97Å; V441-F498 HydrophobicContact CB-CZ 4.06Å; V441-F498 HydrophobicContact CG1-CE2 3.76Å; V441-F498 HydrophobicContact CG1-CZ 4.21Å; V441-F498 HydrophobicContact CG2-CE2 4.47Å; V441-F498 HydrophobicContact CG2-CZ 4.1Å; L494-F498 HydrophobicContact CD2-CD2 4.32Å; L494-F498 HydrophobicContact CD2-CE2 4.28Å; L494-F498 PolarHBondContact O-N 2.87Å; Q495-F498 CarbonylContact O-C 3.52Å; Q495-F498 VanDerWaalsContact O-C 3.29Å; F498-P500 WeakPolarHBondContact O-CD 3.42Å; F498-L503 HydrophobicContact CB-CD1 4.01Å; F498-L503 HydrophobicContact CB-CG 4.46Å |
| 499 | P | 88.3 | Confident | 86.6 | Confident | 35 Ų | 35 | 48.6 Ų | 48.6 | 23% | 0.227 | 28% | 0.283 | C | S | . | . | trans | -56.6 | 123.4 | 179.7 | -26.9 | 36.2 | 0 | 0 | 0 | 111.5 | Q495 A501 Q502 L503 | Q495-P499 VanDerWaalsContact O-CA 3.25Å; Q495-P499 WeakPolarHBondContact O-CA 3.47Å; P499-A501 PolarHBondContact O-N 2.97Å; P499-A501 VanDerWaalsContact O-N 3.12Å; P499-Q502 HydrophobicContact CB-CB 4.2Å; P499-Q502 HydrophobicContact CB-CG 4.02Å; P499-Q502 HydrophobicContact CG-CG 4.41Å; P499-Q502 PolarHBondContact O-N 3.31Å; P499-L503 PolarHBondContact O-N 2.82Å; P499-L503 VanDerWaalsContact O-N 3.07Å | ||
| 500 | P | 83.6 | Confident | 86.1 | Confident | 39 Ų | 39 | 51.7 Ų | 51.7 | 25% | 0.253 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57 | -32.6 | -178.5 | -27.9 | 34.9 | 0 | 0 | 0 | 113.4 | Q495 F498 A504 L514 | Q495-P500 HydrophobicContact CG-CG 4.34Å; F498-P500 WeakPolarHBondContact O-CD 3.42Å; P500-A504 WeakPolarHBondContact O-CB 3.42Å; P500-A504 PolarHBondContact O-N 2.89Å; P500-L514 HydrophobicContact CB-CD2 4.25Å |
| 501 | A | 84.8 | Confident | 85.3 | Confident | 70 Ų | 70 | 54.7 Ų | 54.7 | 58% | 0.579 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.4 | -38.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P499 L505 | P499-A501 PolarHBondContact O-N 2.97Å; P499-A501 VanDerWaalsContact O-N 3.12Å; A501-L505 WeakPolarHBondContact O-CB 3.23Å; A501-L505 PolarHBondContact O-N 3.43Å; A501-L505 VanDerWaalsContact O-N 3.07Å |
| 502 | Q | 85 | Confident | 84.4 | Confident | 102 Ų | 102 | 57.9 Ų | 57.9 | 48% | 0.477 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -73 | -41.2 | 177.3 | -69.7 | 180 | -6.4 | 0 | 0 | 111.2 | L435 P499 L505 V506 | L435-Q502 HydrophobicContact CD1-CB 4.44Å; P499-Q502 HydrophobicContact CB-CB 4.2Å; P499-Q502 HydrophobicContact CB-CG 4.02Å; P499-Q502 HydrophobicContact CG-CG 4.41Å; P499-Q502 PolarHBondContact O-N 3.31Å; Q502-L505 PolarHBondContact O-N 3.24Å; Q502-V506 WeakPolarHBondContact O-CG2 3.4Å; Q502-V506 PolarHBondContact O-N 3.22Å |
| 503 | L | 84.8 | Confident | 83.7 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 174.3 | -67.6 | 176.4 | 0 | 0 | 0 | 111.6 | L435 A438 F498 P499 L505 V506 L507 L514 L520 | L435-L503 HydrophobicContact CB-CD2 4.41Å; L435-L503 HydrophobicContact CD2-CD2 4.23Å; A438-L503 HydrophobicContact CB-CD1 4.46Å; A438-L503 HydrophobicContact CB-CD2 3.97Å; F498-L503 HydrophobicContact CB-CD1 4.01Å; F498-L503 HydrophobicContact CB-CG 4.46Å; P499-L503 PolarHBondContact O-N 2.82Å; P499-L503 VanDerWaalsContact O-N 3.07Å; L503-L505 VanDerWaalsContact C-N 3.33Å; L503-L505 PolarHBondContact O-N 2.87Å; L503-V506 PolarHBondContact O-N 3.35Å; L503-L507 WeakPolarHBondContact O-CB 3.38Å; L503-L507 VanDerWaalsContact O-CG 3.3Å; L503-L507 WeakPolarHBondContact O-CG 3.3Å; L503-L507 PolarHBondContact O-N 2.97Å; L503-L514 HydrophobicContact CB-CD1 4Å; L503-L514 HydrophobicContact CD1-CD2 4.43Å; L503-L520 HydrophobicContact CD1-CB 4.31Å |
| 504 | A | 84.9 | Confident | 82.8 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 5% | 0.05 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.1 | -44.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P500 L507 G508 V509 A511 L514 | P500-A504 WeakPolarHBondContact O-CB 3.42Å; P500-A504 PolarHBondContact O-N 2.89Å; A504-L507 PolarHBondContact O-N 3.01Å; A504-G508 PolarHBondContact O-N 3.26Å; A504-V509 CarbonylContact C-O 3.43Å; A504-V509 VanDerWaalsContact CB-O 3.3Å; A504-V509 WeakPolarHBondContact CB-O 3.46Å; A504-V509 PolarHBondContact O-N 3.35Å; A504-V509 VanDerWaalsContact O-O 3.06Å; A504-A511 HydrophobicContact CB-CB 4.05Å; A504-L514 HydrophobicContact CB-CD1 3.97Å |
| 505 | L | 86.6 | Confident | 82 | Confident | 142 Ų | 142 | 62.3 Ų | 62.3 | 74% | 0.743 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.5 | -45.4 | 178.9 | -175.2 | 146.5 | 0 | 0 | 0 | 112.3 | A501 Q502 L503 L507 G508 | A501-L505 WeakPolarHBondContact O-CB 3.23Å; A501-L505 PolarHBondContact O-N 3.43Å; A501-L505 VanDerWaalsContact O-N 3.07Å; Q502-L505 PolarHBondContact O-N 3.24Å; L503-L505 VanDerWaalsContact C-N 3.33Å; L503-L505 PolarHBondContact O-N 2.87Å; L505-L507 VanDerWaalsContact C-N 3.34Å; L505-L507 PolarHBondContact O-N 3.31Å; L505-G508 PolarHBondContact O-N 2.83Å |
| 506 | V | 84.3 | Confident | 81 | Confident | 97 Ų | 97 | 68.3 Ų | 68.3 | 59% | 0.588 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.2 | -35.9 | 179.5 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | L435 Q502 L503 G508 | L435-V506 HydrophobicContact CD1-CG2 3.84Å; Q502-V506 WeakPolarHBondContact O-CG2 3.4Å; Q502-V506 PolarHBondContact O-N 3.22Å; L503-V506 PolarHBondContact O-N 3.35Å; V506-G508 VanDerWaalsContact C-N 3.29Å |
| 507 | L | 83.3 | Confident | 79.8 | Confident | 85 Ų | 85 | 70 Ų | 70 | 45% | 0.445 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -77.9 | -13.1 | 176.9 | -67.4 | 169.9 | 0 | 0 | 0 | 113.1 | L503 A504 L505 V509 L514 L520 | L503-L507 WeakPolarHBondContact O-CB 3.38Å; L503-L507 VanDerWaalsContact O-CG 3.3Å; L503-L507 WeakPolarHBondContact O-CG 3.3Å; L503-L507 PolarHBondContact O-N 2.97Å; A504-L507 PolarHBondContact O-N 3.01Å; L505-L507 VanDerWaalsContact C-N 3.34Å; L505-L507 PolarHBondContact O-N 3.31Å; L507-V509 VanDerWaalsContact C-N 3.32Å; L507-V509 HydrophobicContact CB-CB 4.48Å; L507-V509 HydrophobicContact CB-CG2 4.1Å; L507-L514 HydrophobicContact CD1-CD1 4.24Å; L507-L520 HydrophobicContact CD1-CD1 3.81Å |
| 508 | G | 82.6 | Confident | 78.6 | Confident | 71 Ų | 71 | 70.5 Ų | 70.5 | 73% | 0.732 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 27 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A504 L505 V506 | A504-G508 PolarHBondContact O-N 3.26Å; L505-G508 PolarHBondContact O-N 2.83Å; V506-G508 VanDerWaalsContact C-N 3.29Å |
| 509 | V | 84.6 | Confident | 77.4 | Confident | 20 Ų | 20 | 72.7 Ų | 72.7 | 12% | 0.121 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -120.5 | 143.2 | -174.1 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | A504 L507 Q513 Y517 | A504-V509 CarbonylContact C-O 3.43Å; A504-V509 VanDerWaalsContact CB-O 3.3Å; A504-V509 WeakPolarHBondContact CB-O 3.46Å; A504-V509 PolarHBondContact O-N 3.35Å; A504-V509 VanDerWaalsContact O-O 3.06Å; L507-V509 VanDerWaalsContact C-N 3.32Å; L507-V509 HydrophobicContact CB-CB 4.48Å; L507-V509 HydrophobicContact CB-CG2 4.1Å; V509-Q513 HydrophobicContact CG1-CB 3.59Å; V509-Y517 HydrophobicContact CB-CE2 4.48Å; V509-Y517 HydrophobicContact CG1-CE2 3.9Å; V509-Y517 HydrophobicContact CG2-CE2 3.88Å |
| 510 | P | 79.6 | Confident | 76.6 | Confident | 69 Ų | 69 | 72.3 Ų | 72.3 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | trans | -61.7 | 141.6 | 172.4 | 24.5 | -33.8 | 0 | 0 | 0 | 111.5 | S512 Q513 | P510-S512 PolarHBondContact O-N 3.39Å; P510-Q513 HydrophobicContact CG-CB 4.25Å; P510-Q513 HydrophobicContact CG-CG 3.92Å; P510-Q513 PolarHBondContact O-N 3.31Å | ||
| 511 | A | 71.8 | Confident | 76 | Confident | 64 Ų | 64 | 70.5 Ų | 70.5 | 53% | 0.529 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -56 | -26.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | A504 Q513 L514 | A504-A511 HydrophobicContact CB-CB 4.05Å; A511-Q513 PolarHBondContact O-N 3.19Å; A511-L514 WeakPolarHBondContact O-CB 3.43Å; A511-L514 PolarHBondContact O-N 2.95Å |
| 512 | S | 71.1 | Confident | 75.8 | Confident | 87 Ų | 87 | 73.2 Ų | 73.2 | 61% | 0.608 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -64.1 | -25.4 | 174.3 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | P510 H515 | P510-S512 PolarHBondContact O-N 3.39Å; S512-H515 PolarHBondContact O-CE1 3.35Å; S512-H515 PolarHBondContact O-ND1 3.24Å |
| 513 | Q | 72.4 | Confident | 75.8 | Confident | 77 Ų | 77 | 69 Ų | 69 | 36% | 0.36 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -100 | 1.8 | -178 | -65.3 | 179.3 | 9.9 | 0 | 0 | 113.5 | V509 P510 A511 H515 R516 | V509-Q513 HydrophobicContact CG1-CB 3.59Å; P510-Q513 HydrophobicContact CG-CB 4.25Å; P510-Q513 HydrophobicContact CG-CG 3.92Å; P510-Q513 PolarHBondContact O-N 3.31Å; A511-Q513 PolarHBondContact O-N 3.19Å; Q513-H515 PolarHBondContact O-N 2.8Å; Q513-R516 WeakPolarHBondContact O-CB 3.32Å; Q513-R516 PolarHBondContact O-N 3.15Å |
| 514 | L | 71.4 | Confident | 75.7 | Confident | 14 Ų | 14 | 71.9 Ų | 71.9 | 7% | 0.073 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -58.4 | -33.4 | -178.7 | -156.7 | 93 | 0 | 0 | 0 | 112.3 | P500 L503 A504 L507 A511 R516 Y517 | P500-L514 HydrophobicContact CB-CD2 4.25Å; L503-L514 HydrophobicContact CB-CD1 4Å; L503-L514 HydrophobicContact CD1-CD2 4.43Å; A504-L514 HydrophobicContact CB-CD1 3.97Å; L507-L514 HydrophobicContact CD1-CD1 4.24Å; A511-L514 WeakPolarHBondContact O-CB 3.43Å; A511-L514 PolarHBondContact O-N 2.95Å; L514-R516 PolarHBondContact O-N 3.34Å; L514-R516 VanDerWaalsContact O-N 3.13Å; L514-Y517 PolarHBondContact O-N 3.16Å; L514-Y517 VanDerWaalsContact O-N 3.16Å |
| 515 | H | 69.6 | Low | 75.6 | Confident | 139 Ų | 139 | 73.8 Ų | 73.8 | 64% | 0.644 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -61 | -19.8 | 177.5 | 66.5 | -90.3 | 0 | 0 | 0 | 113.9 | S512 Q513 Y517 | S512-H515 PolarHBondContact O-CE1 3.35Å; S512-H515 PolarHBondContact O-ND1 3.24Å; Q513-H515 PolarHBondContact O-N 2.8Å; H515-Y517 VanDerWaalsContact C-N 3.31Å |
| 516 | R | 67.8 | Low | 75.4 | Confident | 184 Ų | 184 | 71.1 Ų | 71.1 | 69% | 0.694 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -78.1 | -14.2 | 179.4 | -60.6 | -177.2 | 72.9 | 175.8 | 3.4 | 113.3 | Q513 L514 | Q513-R516 WeakPolarHBondContact O-CB 3.32Å; Q513-R516 PolarHBondContact O-N 3.15Å; L514-R516 PolarHBondContact O-N 3.34Å; L514-R516 VanDerWaalsContact O-N 3.13Å |
| 517 | Y | 63.3 | Low | 75.4 | Confident | 130 Ų | 130 | 67.2 Ų | 67.2 | 51% | 0.51 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -101.7 | 24 | -174 | -71.5 | -88.9 | 0 | 0 | 0 | 113.4 | V509 L514 H515 | V509-Y517 HydrophobicContact CB-CE2 4.48Å; V509-Y517 HydrophobicContact CG1-CE2 3.9Å; V509-Y517 HydrophobicContact CG2-CE2 3.88Å; L514-Y517 PolarHBondContact O-N 3.16Å; L514-Y517 VanDerWaalsContact O-N 3.16Å; H515-Y517 VanDerWaalsContact C-N 3.31Å |
| 518 | G | 61 | Low | 75.5 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 39% | 0.392 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 76.7 | 163.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L520 | G518-L520 PolarHBondContact O-N 2.98Š|
| 519 | G | 64.4 | Low | 75.7 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 47% | 0.474 | 34% | 0.336 | S | S | . | . | trans | -62.9 | 61.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G521 R522 | G519-G521 PolarHBondContact O-N 3.33Å; G519-R522 PolarHBondContact O-N 3.14Å | ||
| 520 | L | 72.2 | Confident | 75.7 | Confident | 27 Ų | 27 | 66.3 Ų | 66.3 | 14% | 0.141 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 110.9 | 177.4 | -72 | 162.4 | 0 | 0 | 0 | 109.3 | Q439 L503 L507 G518 R522 | Q439-L520 HydrophobicContact CB-CD2 3.88Å; L503-L520 HydrophobicContact CD1-CB 4.31Å; L507-L520 HydrophobicContact CD1-CD1 3.81Å; G518-L520 PolarHBondContact O-N 2.98Å; L520-R522 PolarHBondContact O-N 3.28Å |
| 521 | G | 71.6 | Confident | 75.8 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 20.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S442 G519 | S442-G521 VanDerWaalsContact OG-CA 3.32Å; S442-G521 WeakPolarHBondContact OG-CA 3.39Å; S442-G521 PolarHBondContact OG-N 3.27Å; S442-G521 VanDerWaalsContact OG-N 3.15Å; G519-G521 PolarHBondContact O-N 3.33Å |
| 522 | R | 79.9 | Confident | 76.4 | Confident | 128 Ų | 128 | 62.5 Ų | 62.5 | 48% | 0.483 | 33% | 0.33 | S | S | . | . | trans | -138.4 | 152.6 | 177.1 | -71.1 | -171.3 | 177.3 | -173 | -0.8 | 110.7 | G519 L520 | G519-R522 PolarHBondContact O-N 3.14Å; L520-R522 PolarHBondContact O-N 3.28Å | ||
| 523 | I | 84.1 | Confident | 76.9 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.062 | 33% | 0.327 | C | S | . | . | trans | -103.6 | 134.6 | 178.2 | -45.6 | 178.7 | 0 | 0 | 0 | 107.9 | L445 E446 L449 L490 L494 V525 I528 | L445-I523 HydrophobicContact CD2-CD1 3.46Å; L445-I523 VanDerWaalsContact CD2-CD1 3.46Å; L445-I523 HydrophobicContact CD2-CG1 4.12Å; L445-I523 HydrophobicContact CG-CD1 4.22Å; E446-I523 HydrophobicContact CG-CB 4.33Å; E446-I523 HydrophobicContact CG-CG2 3.52Å; E446-I523 WeakPolarHBondContact OE1-CA 3.28Å; L449-I523 HydrophobicContact CD1-CD1 3.79Å; L449-I523 HydrophobicContact CD1-CG2 3.99Å; L490-I523 HydrophobicContact CB-CD1 4.07Å; L494-I523 HydrophobicContact CD1-CD1 3.96Å; L494-I523 HydrophobicContact CD1-CG1 3.53Å; I523-V525 PolarHBondContact O-N 3.27Å; I523-I528 HydrophobicContact CG2-CD1 3.13Å; I523-I528 HydrophobicContact CG2-CG1 4.47Å | ||
| 524 | D | 83.8 | Confident | 77.3 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | trans | -75.4 | 87.4 | 167.9 | -172 | -6.3 | 0 | 0 | 0 | 111.2 | E446 S526 A527 I528 | E446-D524 PolarHBondContact OE1-N 3.46Å; D524-S526 PolarHBondContact O-N 3.47Å; D524-S526 PolarHBondContact OD1-N 3.12Å; D524-S526 VanDerWaalsContact OD1-N 3.17Å; D524-S526 PolarHBondContact OD1-OG 3.33Å; D524-A527 HydrophobicContact CB-CB 4.21Å; D524-A527 PolarHBondContact O-N 2.92Å; D524-A527 PolarHBondContact OD1-N 3.31Å; D524-A527 VanDerWaalsContact OD2-CB 3.31Å; D524-A527 WeakPolarHBondContact OD2-CB 3.1Å; D524-I528 WeakPolarHBondContact O-CG1 3.49Å; D524-I528 PolarHBondContact O-N 3.37Å | ||
| 525 | V | 82.7 | Confident | 77.6 | Confident | 46 Ų | 46 | 65.5 Ų | 65.5 | 28% | 0.279 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57 | -38.7 | 178.8 | -179 | 0 | 0 | 0 | 0 | 111.4 | L487 I523 A527 I528 L529 | L487-V525 HydrophobicContact CB-CG1 4.47Å; L487-V525 HydrophobicContact CD1-CG1 4.01Å; I523-V525 PolarHBondContact O-N 3.27Å; V525-A527 PolarHBondContact O-N 3.42Å; V525-I528 PolarHBondContact O-N 3.45Å; V525-L529 HydrophobicContact CG1-CD1 3.69Å; V525-L529 HydrophobicContact CG1-CG 4.17Å; V525-L529 WeakPolarHBondContact O-CG 3.11Å; V525-L529 PolarHBondContact O-N 2.95Å |
| 526 | S | 82.2 | Confident | 78 | Confident | 87 Ų | 87 | 60.2 Ų | 60.2 | 61% | 0.608 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.5 | -43.6 | -177.3 | 72.3 | 0 | 0 | 0 | 0 | 111.8 | D524 I528 L529 Q530 | D524-S526 PolarHBondContact O-N 3.47Å; D524-S526 PolarHBondContact OD1-N 3.12Å; D524-S526 VanDerWaalsContact OD1-N 3.17Å; D524-S526 PolarHBondContact OD1-OG 3.33Å; S526-I528 VanDerWaalsContact C-N 3.31Å; S526-I528 PolarHBondContact O-N 3.25Å; S526-L529 PolarHBondContact O-N 3.46Å; S526-Q530 PolarHBondContact O-N 3.3Å |
| 527 | A | 83.3 | Confident | 78.3 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 12% | 0.124 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -74.5 | -22 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | R450 D524 V525 | R450-A527 PolarHBondContact NH1-O 3.41Å; D524-A527 HydrophobicContact CB-CB 4.21Å; D524-A527 PolarHBondContact O-N 2.92Å; D524-A527 PolarHBondContact OD1-N 3.31Å; D524-A527 VanDerWaalsContact OD2-CB 3.31Å; D524-A527 WeakPolarHBondContact OD2-CB 3.1Å; V525-A527 PolarHBondContact O-N 3.42Å |
| 528 | I | 85.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -75.8 | -41.5 | 172 | -68.2 | 169 | 0 | 0 | 0 | 110.7 | E446 L449 R450 T453 F482 L487 I523 D524 V525 S526 P531 | E446-I528 HydrophobicContact CG-CD1 4.45Å; L449-I528 HydrophobicContact CB-CD1 3.75Å; L449-I528 HydrophobicContact CB-CG1 4.37Å; L449-I528 HydrophobicContact CB-CG2 4.19Å; L449-I528 HydrophobicContact CD1-CD1 3.86Å; L449-I528 HydrophobicContact CG-CD1 4.47Å; R450-I528 HydrophobicContact CG-CG1 4.16Å; T453-I528 VanDerWaalsContact CG2-O 3.29Å; T453-I528 WeakPolarHBondContact CG2-O 3.3Å; T453-I528 WeakPolarHBondContact OG1-CG2 3.41Å; F482-I528 HydrophobicContact CE1-CG2 4.34Å; F482-I528 HydrophobicContact CZ-CG2 4.33Å; L487-I528 HydrophobicContact CD1-CG2 4.02Å; L487-I528 HydrophobicContact CD2-CD1 4.39Å; L487-I528 HydrophobicContact CD2-CG2 4.23Å; I523-I528 HydrophobicContact CG2-CD1 3.13Å; I523-I528 HydrophobicContact CG2-CG1 4.47Å; D524-I528 WeakPolarHBondContact O-CG1 3.49Å; D524-I528 PolarHBondContact O-N 3.37Å; V525-I528 PolarHBondContact O-N 3.45Å; S526-I528 VanDerWaalsContact C-N 3.31Å; S526-I528 PolarHBondContact O-N 3.25Å; I528-P531 WeakPolarHBondContact O-CD 3.34Å |
| 529 | L | 86.7 | Confident | 77.2 | Confident | 23 Ų | 23 | 63.7 Ų | 63.7 | 12% | 0.12 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -81.2 | -18.7 | -176.1 | -66.7 | -179.5 | 0 | 0 | 0 | 114.3 | F482 A483 L487 V525 S526 P531 L532 D533 L536 | F482-L529 HydrophobicContact CD1-CD2 4.17Å; F482-L529 HydrophobicContact CE1-CD2 4.14Å; A483-L529 HydrophobicContact CB-CD1 3.76Å; A483-L529 HydrophobicContact CB-CD2 3.74Å; A483-L529 HydrophobicContact CB-CG 4.42Å; L487-L529 HydrophobicContact CD1-CD1 4.29Å; L487-L529 HydrophobicContact CD1-CD2 3.59Å; L487-L529 HydrophobicContact CD1-CG 3.85Å; V525-L529 HydrophobicContact CG1-CD1 3.69Å; V525-L529 HydrophobicContact CG1-CG 4.17Å; V525-L529 WeakPolarHBondContact O-CG 3.11Å; V525-L529 PolarHBondContact O-N 2.95Å; S526-L529 PolarHBondContact O-N 3.46Å; L529-P531 VanDerWaalsContact C-N 3.27Å; L529-L532 HydrophobicContact CD2-CD1 4.4Å; L529-L532 WeakPolarHBondContact O-CA 3.06Å; L529-L532 WeakPolarHBondContact O-CB 3.43Å; L529-L532 PolarHBondContact O-N 2.97Å; L529-D533 PolarHBondContact O-N 2.89Å; L529-L536 HydrophobicContact CB-CD1 4.38Å; L529-L536 HydrophobicContact CD1-CD1 4.44Å; L529-L536 HydrophobicContact CD2-CD1 4.14Å |
| 530 | Q | 85.5 | Confident | 75.7 | Confident | 133 Ų | 133 | 69.8 Ų | 69.8 | 62% | 0.621 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -44.4 | -40.8 | 179 | -169.3 | -174.1 | 11.5 | 0 | 0 | 115.1 | S526 L532 | S526-Q530 PolarHBondContact O-N 3.3Å; Q530-L532 VanDerWaalsContact C-N 3.29Å; Q530-L532 PolarHBondContact O-N 3.49Å |
| 531 | P | 82.1 | Confident | 73.9 | Confident | 54 Ų | 54 | 74.5 Ų | 74.5 | 35% | 0.351 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -71.9 | -15.1 | 176 | -17.1 | 33.7 | 0 | 0 | 0 | 114.9 | T453 V457 I528 L529 F534 | T453-P531 HydrophobicContact CG2-CB 4.02Å; T453-P531 HydrophobicContact CG2-CG 4.02Å; V457-P531 HydrophobicContact CG2-CB 4.21Å; V457-P531 WeakPolarHBondContact CG2-O 3.3Å; I528-P531 WeakPolarHBondContact O-CD 3.34Å; L529-P531 VanDerWaalsContact C-N 3.27Å; P531-F534 WeakPolarHBondContact O-CD1 3.19Å; P531-F534 WeakPolarHBondContact O-CE1 3.25Å |
| 532 | L | 82.9 | Confident | 72 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -103.2 | -2.5 | 179.9 | -72 | 170.8 | 0 | 0 | 0 | 113.4 | T453 I456 V457 F482 L529 Q530 F534 I535 L536 | T453-L532 HydrophobicContact CG2-CD1 3.72Å; T453-L532 HydrophobicContact CG2-CG 3.74Å; I456-L532 HydrophobicContact CG2-CD2 3.91Å; V457-L532 HydrophobicContact CG2-CD2 3.63Å; V457-L532 HydrophobicContact CG2-CG 4.17Å; F482-L532 HydrophobicContact CD1-CD1 3.9Å; F482-L532 HydrophobicContact CE1-CD1 4.02Å; L529-L532 HydrophobicContact CD2-CD1 4.4Å; L529-L532 WeakPolarHBondContact O-CA 3.06Å; L529-L532 WeakPolarHBondContact O-CB 3.43Å; L529-L532 PolarHBondContact O-N 2.97Å; Q530-L532 VanDerWaalsContact C-N 3.29Å; Q530-L532 PolarHBondContact O-N 3.49Å; L532-F534 PolarHBondContact O-N 2.84Å; L532-I535 HydrophobicContact CD2-CD1 4.03Å; L532-I535 PolarHBondContact O-N 3.47Å; L532-L536 HydrophobicContact CB-CD1 3.94Å; L532-L536 HydrophobicContact CB-CG 4.26Å; L532-L536 PolarHBondContact O-N 2.76Å |
| 533 | D | 81.4 | Confident | 69.7 | Low | 102 Ų | 102 | 82.2 Ų | 82.2 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -26 | -178.3 | -76.1 | -9.8 | 0 | 0 | 0 | 114 | L529 I535 | L529-D533 PolarHBondContact O-N 2.89Å; D533-I535 VanDerWaalsContact C-N 3.33Å |
| 534 | F | 80.7 | Confident | 67.1 | Low | 119 Ų | 119 | 90.1 Ų | 90.1 | 52% | 0.522 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -12.6 | 178.5 | 71.9 | -92.4 | 0 | 0 | 0 | 114.1 | V457 H460 P531 L532 | V457-F534 HydrophobicContact CG1-CE1 4.42Å; V457-F534 HydrophobicContact CG1-CZ 4.32Å; H460-F534 AromaticContact CE1-CE2 3.96Å; H460-F534 AromaticContact ND1-CE2 3.9Å; P531-F534 WeakPolarHBondContact O-CD1 3.19Å; P531-F534 WeakPolarHBondContact O-CE1 3.25Å; L532-F534 PolarHBondContact O-N 2.84Å |
| 535 | I | 77.8 | Confident | 64.8 | Low | 20 Ų | 20 | 92.8 Ų | 92.8 | 10% | 0.103 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -36.2 | -178.4 | -49.8 | -174.7 | 0 | 0 | 0 | 110.7 | H460 F475 V476 C479 L532 D533 | H460-I535 HydrophobicContact CB-CD1 4.07Å; F475-I535 HydrophobicContact CD1-CG2 4.1Å; F475-I535 HydrophobicContact CE1-CD1 3.85Å; F475-I535 HydrophobicContact CE1-CG2 4.09Å; V476-I535 HydrophobicContact CG2-CG2 4.28Å; C479-I535 HydrophobicContact CB-CG2 4.44Å; L532-I535 HydrophobicContact CD2-CD1 4.03Å; L532-I535 PolarHBondContact O-N 3.47Å; D533-I535 VanDerWaalsContact C-N 3.33Å |
| 536 | L | 78.6 | Confident | 62.3 | Low | 28 Ų | 28 | 99 Ų | 99 | 15% | 0.147 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -68.5 | 143.9 | -177.8 | -71.3 | 167.8 | 0 | 0 | 0 | 111.3 | C479 A483 L529 L532 Q538 | C479-L536 HydrophobicContact CB-CD2 3.85Å; A483-L536 HydrophobicContact CB-CD1 4.25Å; A483-L536 HydrophobicContact CB-CD2 4.04Å; L529-L536 HydrophobicContact CB-CD1 4.38Å; L529-L536 HydrophobicContact CD1-CD1 4.44Å; L529-L536 HydrophobicContact CD2-CD1 4.14Å; L532-L536 HydrophobicContact CB-CD1 3.94Å; L532-L536 HydrophobicContact CB-CG 4.26Å; L532-L536 PolarHBondContact O-N 2.76Å; L536-Q538 PolarHBondContact O-N 2.81Å |
| 537 | P | 73.3 | Confident | 60 | Low | 83 Ų | 83 | 103.4 Ų | 103.4 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | trans | -57.4 | 132.7 | 169.8 | -16.1 | 28 | 0 | 0 | 0 | 109.2 | V476 K539 | V476-P537 HydrophobicContact CG1-CG 4.1Å; P537-K539 PolarHBondContact O-N 3.49Å | ||
| 538 | Q | 54.8 | Low | 57.5 | Low | 192 Ų | 192 | 110.5 Ų | 110.5 | 90% | 0.897 | 57% | 0.571 | S | S | * | * | trans | -61.4 | 108.1 | 173.7 | -68.7 | -172 | -4.2 | 0 | 0 | 108.6 | L536 E540 | L536-Q538 PolarHBondContact O-N 2.81Å; Q538-E540 PolarHBondContact O-N 2.69Å | ||
| 539 | K | 48 | Very low | 54.7 | Low | 150 Ų | 150 | 118.1 Ų | 118.1 | 65% | 0.652 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 120 | 170.7 | -109.6 | 176.2 | 179.7 | 167.6 | 0 | 107.9 | D484 P537 | D484-K539 IonicContact OD1-NZ 2.63Å; D484-K539 PolarHBondContact OD1-NZ 2.78Å; D484-K539 IonicContact OD2-NZ 3.92Å; P537-K539 PolarHBondContact O-N 3.49Å |
| 540 | E | 32.7 | Very low | 52.2 | Low | 174 Ų | 174 | 123 Ų | 123 | 81% | 0.813 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 137.1 | 159.9 | -82.6 | -179.5 | 154 | 0 | 0 | 108 | Q538 E542 | Q538-E540 PolarHBondContact O-N 2.69Å; E540-E542 PolarHBondContact O-N 3.43Å |
| 541 | P | 34.4 | Very low | 49.5 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 81% | 0.812 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 116.5 | -179.8 | 25.2 | -31.1 | 0 | 0 | 0 | 108.8 | ||
| 542 | E | 32 | Very low | 46.9 | Very low | 173 Ų | 173 | 127.4 Ų | 127.4 | 81% | 0.808 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 134.3 | 164.5 | -76.8 | -176.7 | 164 | 0 | 0 | 108.3 | E540 E544 | E540-E542 PolarHBondContact O-N 3.43Å; E542-E544 PolarHBondContact O-N 3.23Å |
| 543 | P | 31.6 | Very low | 44.4 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 137.5 | 177 | 26.2 | -31 | 0 | 0 | 0 | 109.2 | ||
| 544 | E | 28.9 | Very low | 41.9 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | trans | -44.6 | 133 | 173.6 | -65 | 177 | 157.1 | 0 | 0 | 110.4 | E542 E546 | E542-E544 PolarHBondContact O-N 3.23Å; E544-E546 PolarHBondContact O-N 3.19Å | ||
| 545 | P | 35.9 | Very low | 39.3 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | -65.9 | 113.5 | 172.3 | 25 | -28.9 | 0 | 0 | 0 | 108.2 | L547 | P545-L547 PolarHBondContact O-N 3.01Š| ||
| 546 | E | 30.4 | Very low | 37 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -47 | 133 | 168.9 | -79 | -179.3 | 146.2 | 0 | 0 | 110.1 | E544 L548 | E544-E546 PolarHBondContact O-N 3.19Å; E546-L548 VanDerWaalsContact C-N 3.31Å; E546-L548 PolarHBondContact O-N 3.08Å | ||
| 547 | L | 32.8 | Very low | 34.7 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | trans | -55.5 | 90.7 | 168.9 | -79.6 | 152.6 | 0 | 0 | 0 | 110 | P545 L549 | P545-L547 PolarHBondContact O-N 3.01Å; L547-L549 PolarHBondContact O-N 2.93Å | ||
| 548 | L | 31.6 | Very low | 32.5 | Very low | 164 Ų | 164 | 155.2 Ų | 155.2 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | trans | -74.8 | 112.3 | 165.2 | -76.2 | 169.5 | 0 | 0 | 0 | 108.9 | E546 | E546-L548 VanDerWaalsContact C-N 3.31Å; E546-L548 PolarHBondContact O-N 3.08Å | ||
| 549 | L | 27.6 | Very low | 31.2 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -52.6 | 147.6 | 162.7 | -72.5 | 157.8 | 0 | 0 | 0 | 110 | L547 E551 | L547-L549 PolarHBondContact O-N 2.93Å; L549-E551 PolarHBondContact O-N 3.49Å | ||
| 550 | P | 33.8 | Very low | 30.1 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | trans | -78.7 | 111.7 | -173.1 | 21.9 | -14.6 | 0 | 0 | 0 | 110.9 | ||||
| 551 | E | 28 | Very low | 29.9 | Very low | 193 Ų | 193 | 148.1 Ų | 148.1 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | -80.6 | 123.2 | 158.3 | -77.7 | -169 | 158.3 | 0 | 0 | 109.5 | L549 | L549-E551 PolarHBondContact O-N 3.49Š| ||
| 552 | A | 28.3 | Very low | 29.7 | Very low | 88 Ų | 88 | 147.6 Ų | 147.6 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | trans | -53 | 140.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 553 | N | 29.7 | Very low | 29.4 | Very low | 139 Ų | 139 | 147.8 Ų | 147.8 | 74% | 0.743 | 83% | 0.829 | S | S | * | * | 158.5 | 147.7 | 91.3 | -130.6 | -2.6 | 0 | 0 | 0 | 111.6 | |||||
| 554 | I | 28.6 | Very low | 29.6 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 70% | 0.703 | 83% | 0.829 | S | S | * | * | trans | 71.8 | 105.3 | 148.9 | -51.3 | 150.7 | 0 | 0 | 0 | 117.4 | ||||
| 555 | L | 27.6 | Very low | 29.7 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | -170.6 | 73.4 | 128.2 | -96.8 | 161 | 0 | 0 | 0 | 108.4 | |||||
| 556 | A | 29.3 | Very low | 29.6 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | -128.9 | 66.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 557 | E | 29.5 | Very low | 29.6 | Very low | 177 Ų | 177 | 149 Ų | 149 | 83% | 0.827 | 83% | 0.834 | S | S | * | * | trans | -138.6 | 105.3 | 159.4 | -83.5 | -164.9 | 156 | 0 | 0 | 107.5 | ||||
| 558 | Q | 27.5 | Very low | 30.1 | Very low | 208 Ų | 208 | 146.1 Ų | 146.1 | 97% | 0.972 | 83% | 0.827 | S | S | * | * | trans | -179.3 | 119.6 | 135.3 | -97.5 | 168 | 33 | 0 | 0 | 109.6 | ||||
| 559 | G | 26.3 | Very low | 30.1 | Very low | 85 Ų | 85 | 147.5 Ų | 147.5 | 88% | 0.876 | 83% | 0.829 | S | S | * | * | trans | 124.6 | 64.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 560 | S | 26 | Very low | 30.7 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -143.2 | 110.7 | 154.1 | -160.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 561 | L | 29 | Very low | 30.5 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -155.3 | 115.2 | 161.3 | -90 | 169.5 | 0 | 0 | 0 | 102.9 | ||||
| 562 | T | 28.7 | Very low | 30.6 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | -176.1 | 141 | 73.5 | 11.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 563 | Q | 26.7 | Very low | 31.3 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | trans | 79.8 | 153.8 | 142.6 | -69.7 | -176.5 | 0.6 | 0 | 0 | 122.1 | ||||
| 564 | P | 36.3 | Very low | 31.3 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | cis | -135.3 | 166.9 | -41.4 | 36.2 | -18.7 | 0 | 0 | 0 | 114.2 | ||||
| 565 | E | 30.8 | Very low | 31.4 | Very low | 189 Ų | 189 | 146 Ų | 146 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -70.1 | 165.4 | 174.9 | -69.4 | 176.7 | 140.1 | 0 | 0 | 114.7 | ||||
| 566 | P | 33.5 | Very low | 31.5 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -119.3 | 154.5 | 138.6 | 34 | -21.7 | 0 | 0 | 0 | 113.6 | ||||
| 567 | E | 30.8 | Very low | 31.9 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -60.9 | 166.5 | -170.4 | -75.3 | 177.4 | 147.7 | 0 | 0 | 117.8 | ||||
| 568 | P | 43.4 | Very low | 32 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -101.6 | 161.3 | -174.4 | 39.1 | -31 | 0 | 0 | 0 | 114.3 | ||||
| 569 | E | 31 | Very low | 32.2 | Very low | 192 Ų | 192 | 140.3 Ų | 140.3 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -131.1 | 158 | 164.8 | -92.7 | -157.4 | 169.2 | 0 | 0 | 112.6 | ||||
| 570 | P | 39.3 | Very low | 32.5 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -117.6 | 157.8 | -137.1 | 40.2 | -29.4 | 0 | 0 | 0 | 116.9 | ||||
| 571 | S | 30.2 | Very low | 32.9 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | 51.5 | 110.7 | 142.6 | 58.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 572 | Q | 29.3 | Very low | 33.2 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | 66 | 166.1 | 125.7 | -72.1 | -165.3 | 12.9 | 0 | 0 | 120.7 | |||||
| 573 | P | 42.8 | Very low | 33.4 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | cis | -135.4 | 173.8 | -30.9 | 32.4 | -13.4 | 0 | 0 | 0 | 113.5 | ||||
| 574 | G | 29.8 | Very low | 33.9 | Very low | 69 Ų | 69 | 138.8 Ų | 138.8 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 117.4 | 107.6 | 138.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 575 | R | 30.8 | Very low | 34 | Very low | 234 Ų | 234 | 139.7 Ų | 139.7 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | 67.4 | 127.5 | 127.6 | -84.6 | -172.8 | 173.4 | 173.9 | -1.5 | 122.5 | |||||
| 576 | T | 31.5 | Very low | 34.6 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 85.1 | 118.2 | 132.2 | 47 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 577 | E | 35.8 | Very low | 34.9 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -48.1 | 142.4 | 153 | -59.9 | 168.7 | 143.6 | 0 | 0 | 112.4 | ||||
| 578 | T | 31.9 | Very low | 35.1 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | 178.3 | 141.6 | 123.6 | 21.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 579 | A | 32.2 | Very low | 34.7 | Very low | 91 Ų | 91 | 142 Ų | 142 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | 50.5 | 117.1 | 141.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 580 | A | 33.4 | Very low | 34.9 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | 88.9 | 145.8 | 82.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 581 | E | 34.3 | Very low | 34.6 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | 81.3 | 111.4 | 166.7 | -61.3 | -168.2 | 163.6 | 0 | 0 | 116.6 | ||||
| 582 | L | 35.3 | Very low | 34.9 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | 79.8 | 130.8 | 81.9 | -93.6 | 156.7 | 0 | 0 | 0 | 113.6 | |||||
| 583 | G | 33.1 | Very low | 35.3 | Very low | 57 Ų | 57 | 141.1 Ų | 141.1 | 59% | 0.588 | 81% | 0.814 | S | S | * | * | trans | 112.8 | 98.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 584 | T | 36.8 | Very low | 34.7 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 80% | 0.798 | 82% | 0.818 | S | S | * | * | 83.6 | 124 | 85.7 | 50.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 585 | D | 37.7 | Very low | 35.1 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | 82.1 | 120.5 | 142 | -64.4 | -17.6 | 0 | 0 | 0 | 121.8 | ||||
| 586 | T | 42.8 | Very low | 35.5 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | 61.8 | 134.3 | 136.1 | 55.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 587 | E | 41.1 | Very low | 35.9 | Very low | 266 Ų | 266 | 142.5 Ų | 142.5 | 100% | 1.243 | 82% | 0.824 | S | S | * | * | cis | -135.4 | 0 | 36.4 | -70.6 | 177.4 | 135.2 | 0 | 0 | 113.7 |
Retrieved 587 of 587 residues in 355 ms
(Link to these results)