| 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 | 43.2 | Very low | 53.1 | Low | 216 Ų | 216 | 104.6 Ų | 104.6 | 100% | 1.064 | 55% | 0.546 | S | S | * | . | 0 | 123.6 | 0 | -69.1 | -177.2 | -143 | 0 | 0 | 106.3 | |||||
| 2 | T | 50.7 | Low | 52.4 | Low | 111 Ų | 111 | 114.3 Ų | 114.3 | 68% | 0.681 | 58% | 0.58 | S | S | * | * | trans | -72.8 | 125.5 | -174.8 | 33.3 | 0 | 0 | 0 | 0 | 110.5 | S4 | T2-S4 PolarHBondContact O-N 3.24Š| ||
| 3 | D | 55.1 | Low | 52.7 | Low | 84 Ų | 84 | 108.8 Ų | 108.8 | 45% | 0.449 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -62.9 | -7.8 | 178.8 | -72.9 | -17 | 0 | 0 | 0 | 112.6 | K5 Y6 | D3-K5 PolarHBondContact O-N 3.33Å; D3-Y6 HydrophobicContact CB-CD2 3.93Å; D3-Y6 HydrophobicContact CB-CE2 4.01Å; D3-Y6 WeakPolarHBondContact O-CD2 3.47Å; D3-Y6 PolarHBondContact O-N 2.99Å; D3-Y6 WeakPolarHBondContact OD1-CE2 3.45Å |
| 4 | S | 56.8 | Low | 53.7 | Low | 79 Ų | 79 | 103.4 Ų | 103.4 | 55% | 0.552 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -50.4 | -31.1 | 174.8 | -44.6 | 0 | 0 | 0 | 0 | 113.7 | T2 Y6 F7 | T2-S4 PolarHBondContact O-N 3.24Å; S4-Y6 PolarHBondContact O-N 2.9Å; S4-F7 PolarHBondContact O-N 3.39Å |
| 5 | K | 59.9 | Low | 54.8 | Low | 97 Ų | 97 | 101.5 Ų | 101.5 | 42% | 0.422 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -58.5 | -30.5 | 178.4 | 67 | 179.2 | -176.1 | 170 | 0 | 113.1 | D3 F7 T8 E32 | D3-K5 PolarHBondContact O-N 3.33Å; K5-F7 VanDerWaalsContact C-N 3.25Å; K5-F7 PolarHBondContact O-N 3.18Å; K5-T8 PolarHBondContact O-OG1 3.21Å; K5-E32 IonicContact NZ-OE2 3.39Å; K5-E32 PolarHBondContact NZ-OE2 3.14Å |
| 6 | Y | 55.5 | Low | 56.1 | Low | 22 Ų | 22 | 105.6 Ų | 105.6 | 9% | 0.086 | 54% | 0.543 | C | S | . | . | G | 310 helix | trans | -73.1 | -16.9 | -177.6 | -54.5 | -63.8 | 0 | 0 | 0 | 113.5 | D3 S4 E32 K35 K36 | D3-Y6 HydrophobicContact CB-CD2 3.93Å; D3-Y6 HydrophobicContact CB-CE2 4.01Å; D3-Y6 WeakPolarHBondContact O-CD2 3.47Å; D3-Y6 PolarHBondContact O-N 2.99Å; D3-Y6 WeakPolarHBondContact OD1-CE2 3.45Å; S4-Y6 PolarHBondContact O-N 2.9Å; Y6-E32 WeakPolarHBondContact CE1-OE2 3.47Å; Y6-E32 PolarHBondContact OH-OE1 3.43Å; Y6-E32 PolarHBondContact OH-OE2 3.48Å; Y6-K35 HydrophobicContact CD1-CB 4.47Å; Y6-K35 HydrophobicContact CD2-CB 4.32Å; Y6-K35 HydrophobicContact CE1-CB 4.23Å; Y6-K35 HydrophobicContact CE2-CB 4.11Å; Y6-K35 HydrophobicContact CE2-CD 3.88Å; Y6-K36 HydrophobicContact CD1-CG 3.56Å; Y6-K36 HydrophobicContact CE1-CG 4.18Å; Y6-K36 HydrophobicContact CG-CG 4.49Å |
| 7 | F | 59.7 | Low | 57.5 | Low | 109 Ų | 109 | 106.5 Ų | 106.5 | 48% | 0.478 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -93.5 | -1.4 | -178 | -64.9 | -85 | 0 | 0 | 0 | 113.7 | S4 K5 A39 T42 V43 | S4-F7 PolarHBondContact O-N 3.39Å; K5-F7 VanDerWaalsContact C-N 3.25Å; K5-F7 PolarHBondContact O-N 3.18Å; F7-A39 HydrophobicContact CD1-CB 4.03Å; F7-A39 HydrophobicContact CE1-CB 3.82Å; F7-A39 HydrophobicContact CE2-CB 4.34Å; F7-A39 HydrophobicContact CG-CB 4.38Å; F7-A39 HydrophobicContact CZ-CB 3.99Å; F7-T42 HydrophobicContact CE1-CG2 4.37Å; F7-V43 HydrophobicContact CD1-CG2 3.78Å; F7-V43 HydrophobicContact CE1-CG2 4.37Å |
| 8 | T | 54.7 | Low | 58.8 | Low | 97 Ų | 97 | 100.9 Ų | 100.9 | 60% | 0.595 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -99.3 | -1.5 | -165.7 | 53.5 | 0 | 0 | 0 | 0 | 116.2 | K5 | K5-T8 PolarHBondContact O-OG1 3.21Š|
| 9 | T | 50.5 | Low | 59.9 | Low | 66 Ų | 66 | 100.5 Ų | 100.5 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | trans | -117 | 127.5 | -173 | 45.6 | 0 | 0 | 0 | 0 | 114.7 | E14 K45 | T9-E14 WeakPolarHBondContact CB-OE1 3.43Å; T9-E14 PolarHBondContact OG1-OE1 3.03Å; T9-K45 PolarHBondContact O-NZ 2.67Å | ||
| 10 | N | 49.5 | Very low | 61 | Low | 100 Ų | 100 | 98.5 Ų | 98.5 | 54% | 0.535 | 51% | 0.509 | S | S | . | . | trans | -124 | 44.5 | -177.4 | -85.2 | -26.7 | 0 | 0 | 0 | 112.8 | K45 | N10-K45 VanDerWaalsContact OD1-CE 3.25Å; N10-K45 WeakPolarHBondContact OD1-CE 3.26Å; N10-K45 PolarHBondContact OD1-NZ 3.37Å | ||
| 11 | K | 48.6 | Very low | 62.1 | Low | 170 Ų | 170 | 96.5 Ų | 96.5 | 74% | 0.739 | 50% | 0.497 | S | S | * | . | trans | -90.9 | 131.1 | -179.6 | -72.3 | -174.1 | 180 | 177.2 | 0 | 112.7 | G13 E14 | K11-G13 PolarHBondContact O-N 3.06Å; K11-E14 WeakPolarHBondContact O-CB 3.34Å; K11-E14 PolarHBondContact O-N 2.89Å | ||
| 12 | K | 45 | Very low | 63.9 | Low | 220 Ų | 220 | 86.2 Ų | 86.2 | 96% | 0.957 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 114.1 | 164.1 | -81.1 | -178.1 | 172.3 | -179.9 | 0 | 108.9 | ||
| 13 | G | 56.1 | Low | 65.4 | Low | 43 Ų | 43 | 84.7 Ų | 84.7 | 44% | 0.443 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 131.2 | -17.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K11 I15 F16 E17 | K11-G13 PolarHBondContact O-N 3.06Å; G13-I15 VanDerWaalsContact C-N 3.34Å; G13-I15 PolarHBondContact O-N 3.05Å; G13-F16 PolarHBondContact O-N 3.24Å; G13-F16 VanDerWaalsContact O-N 3.11Å; G13-E17 PolarHBondContact O-N 2.84Å |
| 14 | E | 66.7 | Low | 66.6 | Low | 34 Ų | 34 | 82.9 Ų | 82.9 | 16% | 0.159 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -59.1 | -36.8 | -172.9 | -149.4 | 168.5 | -146.5 | 0 | 0 | 113.4 | T9 K11 F16 E17 L18 K45 | T9-E14 WeakPolarHBondContact CB-OE1 3.43Å; T9-E14 PolarHBondContact OG1-OE1 3.03Å; K11-E14 WeakPolarHBondContact O-CB 3.34Å; K11-E14 PolarHBondContact O-N 2.89Å; E14-F16 VanDerWaalsContact C-N 3.32Å; E14-F16 PolarHBondContact O-N 3.49Å; E14-E17 PolarHBondContact O-N 3.06Å; E14-L18 HydrophobicContact CG-CD1 4.32Å; E14-L18 HydrophobicContact CG-CG 4.49Å; E14-L18 WeakPolarHBondContact O-CB 3.29Å; E14-L18 WeakPolarHBondContact O-CG 3.49Å; E14-L18 PolarHBondContact O-N 3.23Å; E14-K45 IonicContact OE2-NZ 2.85Å; E14-K45 PolarHBondContact OE2-NZ 3.32Å |
| 15 | I | 70.9 | Confident | 67.5 | Low | 75 Ų | 75 | 88 Ų | 88 | 39% | 0.385 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 178.5 | -62.8 | 179.7 | 0 | 0 | 0 | 111.4 | G13 L18 K19 S49 L50 | G13-I15 VanDerWaalsContact C-N 3.34Å; G13-I15 PolarHBondContact O-N 3.05Å; I15-L18 PolarHBondContact O-N 3.24Å; I15-K19 WeakPolarHBondContact O-CB 3.31Å; I15-K19 PolarHBondContact O-N 3.27Å; I15-S49 WeakPolarHBondContact CG2-OG 3.25Å; I15-L50 HydrophobicContact CG2-CD1 4.44Å; I15-L50 HydrophobicContact CG2-CD2 3.81Å; I15-L50 HydrophobicContact CG2-CG 4.06Å |
| 16 | F | 75.4 | Confident | 68.5 | Low | 167 Ų | 167 | 89.7 Ų | 89.7 | 73% | 0.732 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -69.7 | -39.9 | 178.4 | -175.4 | -95 | 0 | 0 | 0 | 111.4 | G13 E14 K19 A20 | G13-F16 PolarHBondContact O-N 3.24Å; G13-F16 VanDerWaalsContact O-N 3.11Å; E14-F16 VanDerWaalsContact C-N 3.32Å; E14-F16 PolarHBondContact O-N 3.49Å; F16-K19 PolarHBondContact O-N 2.65Å; F16-A20 PolarHBondContact O-N 3.23Å; F16-A20 VanDerWaalsContact O-N 3.08Å |
| 17 | E | 78.7 | Confident | 69.4 | Low | 121 Ų | 121 | 94.1 Ų | 94.1 | 57% | 0.565 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 173.9 | -67.7 | -179.9 | -174.2 | 0 | 0 | 111.3 | G13 E14 K19 A20 E21 | G13-E17 PolarHBondContact O-N 2.84Å; E14-E17 PolarHBondContact O-N 3.06Å; E17-K19 VanDerWaalsContact C-N 3.33Å; E17-K19 PolarHBondContact O-N 3.17Å; E17-A20 WeakPolarHBondContact O-CB 3.29Å; E17-A20 PolarHBondContact O-N 2.78Å; E17-A20 VanDerWaalsContact O-N 3.13Å; E17-E21 WeakPolarHBondContact O-CG 3.48Å; E17-E21 PolarHBondContact O-N 3.42Å |
| 18 | L | 80.8 | Confident | 70.3 | Confident | 6 Ų | 6 | 94.4 Ų | 94.4 | 3% | 0.031 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 175.8 | -71.4 | 171.6 | 0 | 0 | 0 | 111.1 | E14 I15 A20 E21 L22 K36 V37 L50 | E14-L18 HydrophobicContact CG-CD1 4.32Å; E14-L18 HydrophobicContact CG-CG 4.49Å; E14-L18 WeakPolarHBondContact O-CB 3.29Å; E14-L18 WeakPolarHBondContact O-CG 3.49Å; E14-L18 PolarHBondContact O-N 3.23Å; I15-L18 PolarHBondContact O-N 3.24Å; L18-A20 VanDerWaalsContact C-N 3.29Å; L18-A20 PolarHBondContact O-N 3.11Å; L18-E21 PolarHBondContact O-N 3.05Å; L18-E21 VanDerWaalsContact O-N 3.16Å; L18-L22 WeakPolarHBondContact O-CB 3.33Å; L18-L22 WeakPolarHBondContact O-CG 3.18Å; L18-L22 PolarHBondContact O-N 3.23Å; L18-K36 HydrophobicContact CD2-CB 3.53Å; L18-K36 HydrophobicContact CD2-CD 3.73Å; L18-K36 HydrophobicContact CD2-CG 4.31Å; L18-V37 HydrophobicContact CB-CG2 4.4Å; L18-V37 HydrophobicContact CD1-CG2 4.11Å; L18-V37 HydrophobicContact CD2-CG2 4.3Å; L18-L50 HydrophobicContact CB-CD1 3.89Å; L18-L50 HydrophobicContact CD1-CD1 4.22Å |
| 19 | K | 80.6 | Confident | 71.5 | Confident | 93 Ų | 93 | 94.9 Ų | 94.9 | 40% | 0.404 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.9 | -41.4 | 174.3 | -173.9 | 164 | -175.8 | 158.2 | 0 | 112.3 | I15 F16 E17 N23 L50 D53 | I15-K19 WeakPolarHBondContact O-CB 3.31Å; I15-K19 PolarHBondContact O-N 3.27Å; F16-K19 PolarHBondContact O-N 2.65Å; E17-K19 VanDerWaalsContact C-N 3.33Å; E17-K19 PolarHBondContact O-N 3.17Å; K19-N23 PolarHBondContact O-N 3.42Å; K19-N23 PolarHBondContact O-ND2 2.99Å; K19-L50 HydrophobicContact CB-CD2 3.7Å; K19-L50 HydrophobicContact CG-CD2 4.37Å; K19-D53 WeakPolarHBondContact CE-OD1 3.18Å; K19-D53 WeakPolarHBondContact CE-OD2 3.34Å; K19-D53 IonicContact NZ-OD2 3.09Å |
| 20 | A | 82.3 | Confident | 73 | Confident | 60 Ų | 60 | 93.7 Ų | 93.7 | 50% | 0.496 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.4 | -37.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F16 E17 L18 N24 | F16-A20 PolarHBondContact O-N 3.23Å; F16-A20 VanDerWaalsContact O-N 3.08Å; E17-A20 WeakPolarHBondContact O-CB 3.29Å; E17-A20 PolarHBondContact O-N 2.78Å; E17-A20 VanDerWaalsContact O-N 3.13Å; L18-A20 VanDerWaalsContact C-N 3.29Å; L18-A20 PolarHBondContact O-N 3.11Å; A20-N24 PolarHBondContact O-N 3.14Å |
| 21 | E | 82.8 | Confident | 74.5 | Confident | 57 Ų | 57 | 90.3 Ų | 90.3 | 27% | 0.266 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.2 | -35.3 | 177.1 | -68.8 | -174.7 | 173.6 | 0 | 0 | 112.8 | E17 L18 N23 N24 A33 K36 | E17-E21 WeakPolarHBondContact O-CG 3.48Å; E17-E21 PolarHBondContact O-N 3.42Å; L18-E21 PolarHBondContact O-N 3.05Å; L18-E21 VanDerWaalsContact O-N 3.16Å; E21-N23 VanDerWaalsContact C-N 3.33Å; E21-N24 WeakPolarHBondContact O-CB 3.25Å; E21-N24 PolarHBondContact O-N 3.4Å; E21-A33 HydrophobicContact CB-CB 3.59Å; E21-K36 VanDerWaalsContact CD-NZ 3.27Å; E21-K36 IonicContact OE1-NZ 2.68Å; E21-K36 PolarHBondContact OE1-NZ 3.06Å; E21-K36 IonicContact OE2-NZ 3.21Å; E21-K36 PolarHBondContact OE2-NZ 3.14Å |
| 22 | L | 81.7 | Confident | 76.1 | Confident | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.9 | -34.5 | 175.4 | -74.2 | 170.6 | 0 | 0 | 0 | 112.2 | L18 N24 R30 A33 V34 V37 L50 D53 V54 C57 | L18-L22 WeakPolarHBondContact O-CB 3.33Å; L18-L22 WeakPolarHBondContact O-CG 3.18Å; L18-L22 PolarHBondContact O-N 3.23Å; L22-N24 VanDerWaalsContact C-N 3.27Å; L22-N24 PolarHBondContact O-N 3.37Å; L22-R30 WeakPolarHBondContact O-CD 3.2Å; L22-R30 VanDerWaalsContact O-CG 3.23Å; L22-R30 WeakPolarHBondContact O-CG 3.43Å; L22-A33 HydrophobicContact CD2-CB 3.84Å; L22-A33 HydrophobicContact CG-CB 4.04Å; L22-V34 HydrophobicContact CD2-CB 4.45Å; L22-V34 HydrophobicContact CD2-CG2 3.47Å; L22-V34 VanDerWaalsContact CD2-CG2 3.47Å; L22-V37 HydrophobicContact CD1-CG2 4.17Å; L22-V37 HydrophobicContact CD2-CG2 4.45Å; L22-L50 HydrophobicContact CD1-CB 4.11Å; L22-L50 HydrophobicContact CD1-CD1 4.17Å; L22-L50 HydrophobicContact CD1-CD2 4.27Å; L22-L50 HydrophobicContact CD1-CG 4.42Å; L22-D53 HydrophobicContact CB-CB 4.19Å; L22-D53 HydrophobicContact CD1-CB 3.9Å; L22-V54 HydrophobicContact CD1-CG2 3.82Å; L22-V54 HydrophobicContact CD2-CG2 4.28Å; L22-C57 PolarHBondContact O-SG 2.96Å; L22-C57 VanDerWaalsContact O-SG 3.4Å |
| 23 | N | 81.5 | Confident | 78 | Confident | 78 Ų | 78 | 74.3 Ų | 74.3 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 11.9 | 175.6 | -69.4 | -60.9 | 0 | 0 | 0 | 113.2 | K19 E21 D53 | K19-N23 PolarHBondContact O-N 3.42Å; K19-N23 PolarHBondContact O-ND2 2.99Å; E21-N23 VanDerWaalsContact C-N 3.33Å; N23-D53 PolarHBondContact ND2-OD1 3.41Å |
| 24 | N | 81.1 | Confident | 79.4 | Confident | 46 Ų | 46 | 72.3 Ų | 72.3 | 25% | 0.246 | 34% | 0.343 | C | S | . | . | trans | -69.9 | 140.4 | 179.8 | -160 | -80 | 0 | 0 | 0 | 111.9 | A20 E21 L22 K26 K29 R30 | A20-N24 PolarHBondContact O-N 3.14Å; E21-N24 WeakPolarHBondContact O-CB 3.25Å; E21-N24 PolarHBondContact O-N 3.4Å; L22-N24 VanDerWaalsContact C-N 3.27Å; L22-N24 PolarHBondContact O-N 3.37Å; N24-K26 PolarHBondContact O-N 2.69Å; N24-K26 WeakPolarHBondContact OD1-CB 3.44Å; N24-K26 PolarHBondContact OD1-N 3.45Å; N24-K29 HydrophobicContact CB-CB 4.05Å; N24-K29 WeakPolarHBondContact OD1-CD 3.28Å; N24-R30 HydrophobicContact CB-CG 4.46Å; N24-R30 WeakPolarHBondContact O-CD 3.29Å; N24-R30 WeakPolarHBondContact O-CG 3.42Å; N24-R30 PolarHBondContact O-NE 3.08Å | ||
| 25 | E | 76.2 | Confident | 80.3 | Confident | 186 Ų | 186 | 72.3 Ų | 72.3 | 87% | 0.869 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -61 | -32.4 | 178 | -63 | -177.1 | 166.7 | 0 | 0 | 112.8 | K27 | E25-K27 PolarHBondContact O-N 3.16Š|
| 26 | K | 79.5 | Confident | 80.9 | Confident | 134 Ų | 134 | 71.7 Ų | 71.7 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -76.6 | 118.4 | -178.4 | -63.6 | -172.2 | -179.8 | -172.2 | 0 | 111.1 | N24 E28 K29 R30 | N24-K26 PolarHBondContact O-N 2.69Å; N24-K26 WeakPolarHBondContact OD1-CB 3.44Å; N24-K26 PolarHBondContact OD1-N 3.45Å; K26-E28 VanDerWaalsContact C-N 3.29Å; K26-E28 PolarHBondContact O-N 3.29Å; K26-K29 HydrophobicContact CB-CB 4.24Å; K26-K29 HydrophobicContact CB-CD 4.39Å; K26-K29 HydrophobicContact CB-CG 4.18Å; K26-K29 HydrophobicContact CD-CD 4.44Å; K26-K29 PolarHBondContact O-N 2.87Å; K26-R30 PolarHBondContact O-N 2.92Å |
| 27 | K | 74.7 | Confident | 81.4 | Confident | 115 Ų | 115 | 63.8 Ų | 63.8 | 50% | 0.5 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -51.6 | -42.8 | 177.2 | -69.6 | -175.5 | 177.6 | -174.1 | 0 | 113 | E25 K29 R30 K31 | E25-K27 PolarHBondContact O-N 3.16Å; K27-K29 PolarHBondContact O-N 2.7Å; K27-R30 PolarHBondContact O-N 3.33Å; K27-K31 PolarHBondContact O-N 3.3Å |
| 28 | E | 78.7 | Confident | 81.6 | Confident | 114 Ų | 114 | 58.8 Ų | 58.8 | 53% | 0.533 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 177.6 | -67.3 | -52.8 | 130.1 | 0 | 0 | 113.1 | K26 K31 E32 | K26-E28 VanDerWaalsContact C-N 3.29Å; K26-E28 PolarHBondContact O-N 3.29Å; E28-K31 WeakPolarHBondContact O-CB 3.43Å; E28-K31 PolarHBondContact O-N 3.45Å; E28-E32 WeakPolarHBondContact O-CG 3.4Å; E28-E32 PolarHBondContact O-N 3.45Å |
| 29 | K | 81.1 | Confident | 81.6 | Confident | 107 Ų | 107 | 58.7 Ų | 58.7 | 47% | 0.465 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.7 | -39.5 | 177.7 | -74.8 | -170.9 | 170 | -168.7 | 0 | 111.6 | N24 K26 K27 K31 E32 A33 | N24-K29 HydrophobicContact CB-CB 4.05Å; N24-K29 WeakPolarHBondContact OD1-CD 3.28Å; K26-K29 HydrophobicContact CB-CB 4.24Å; K26-K29 HydrophobicContact CB-CD 4.39Å; K26-K29 HydrophobicContact CB-CG 4.18Å; K26-K29 HydrophobicContact CD-CD 4.44Å; K26-K29 PolarHBondContact O-N 2.87Å; K27-K29 PolarHBondContact O-N 2.7Å; K29-K31 VanDerWaalsContact C-N 3.3Å; K29-K31 PolarHBondContact O-N 2.91Å; K29-E32 PolarHBondContact O-N 3.16Å; K29-A33 WeakPolarHBondContact O-CB 3.28Å; K29-A33 PolarHBondContact O-N 3Å |
| 30 | R | 81.5 | Confident | 81.7 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 16% | 0.158 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 173.3 | -66.9 | -167.5 | -81.9 | 160.7 | -7.3 | 111.5 | L22 N24 K26 K27 A33 V34 | L22-R30 WeakPolarHBondContact O-CD 3.2Å; L22-R30 VanDerWaalsContact O-CG 3.23Å; L22-R30 WeakPolarHBondContact O-CG 3.43Å; N24-R30 HydrophobicContact CB-CG 4.46Å; N24-R30 WeakPolarHBondContact O-CD 3.29Å; N24-R30 WeakPolarHBondContact O-CG 3.42Å; N24-R30 PolarHBondContact O-NE 3.08Å; K26-R30 PolarHBondContact O-N 2.92Å; K27-R30 PolarHBondContact O-N 3.33Å; R30-A33 WeakPolarHBondContact O-CB 3.35Å; R30-A33 PolarHBondContact O-N 3.3Å; R30-V34 WeakPolarHBondContact O-CG2 3.5Å; R30-V34 PolarHBondContact O-N 3.04Å |
| 31 | K | 79.9 | Confident | 81.7 | Confident | 29 Ų | 29 | 53 Ų | 53 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.3 | -50.1 | 175 | -178.6 | -173.5 | 177.1 | -179.9 | 0 | 112.3 | K27 E28 K29 A33 V34 K35 E64 L65 | K27-K31 PolarHBondContact O-N 3.3Å; E28-K31 WeakPolarHBondContact O-CB 3.43Å; E28-K31 PolarHBondContact O-N 3.45Å; K29-K31 VanDerWaalsContact C-N 3.3Å; K29-K31 PolarHBondContact O-N 2.91Å; K31-A33 VanDerWaalsContact C-N 3.28Å; K31-A33 PolarHBondContact O-N 3.22Å; K31-V34 PolarHBondContact O-N 2.63Å; K31-K35 WeakPolarHBondContact O-CG 3.48Å; K31-K35 PolarHBondContact O-N 2.92Å; K31-E64 WeakPolarHBondContact CE-OE1 3.31Å; K31-E64 WeakPolarHBondContact CE-OE2 3.39Å; K31-E64 IonicContact NZ-OE1 2.8Å; K31-E64 PolarHBondContact NZ-OE1 2.93Å; K31-E64 IonicContact NZ-OE2 2.91Å; K31-E64 PolarHBondContact NZ-OE2 2.7Å; K31-L65 HydrophobicContact CB-CD1 4.39Å |
| 32 | E | 83.3 | Confident | 81.6 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 175.1 | -66.4 | -67.7 | 110.8 | 0 | 0 | 111.7 | K5 Y6 E28 K29 K35 K36 | K5-E32 IonicContact NZ-OE2 3.39Å; K5-E32 PolarHBondContact NZ-OE2 3.14Å; Y6-E32 WeakPolarHBondContact CE1-OE2 3.47Å; Y6-E32 PolarHBondContact OH-OE1 3.43Å; Y6-E32 PolarHBondContact OH-OE2 3.48Å; E28-E32 WeakPolarHBondContact O-CG 3.4Å; E28-E32 PolarHBondContact O-N 3.45Å; K29-E32 PolarHBondContact O-N 3.16Å; E32-K35 PolarHBondContact O-N 3.04Å; E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 3.29Å |
| 33 | A | 85.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E21 L22 K29 R30 K31 K35 K36 V37 | E21-A33 HydrophobicContact CB-CB 3.59Å; L22-A33 HydrophobicContact CD2-CB 3.84Å; L22-A33 HydrophobicContact CG-CB 4.04Å; K29-A33 WeakPolarHBondContact O-CB 3.28Å; K29-A33 PolarHBondContact O-N 3Å; R30-A33 WeakPolarHBondContact O-CB 3.35Å; R30-A33 PolarHBondContact O-N 3.3Å; K31-A33 VanDerWaalsContact C-N 3.28Å; K31-A33 PolarHBondContact O-N 3.22Å; A33-K35 VanDerWaalsContact C-N 3.32Å; A33-K35 PolarHBondContact O-N 3.48Å; A33-K36 WeakPolarHBondContact O-CB 3.45Å; A33-K36 PolarHBondContact O-N 3.09Å; A33-V37 WeakPolarHBondContact O-CG2 3.36Å; A33-V37 PolarHBondContact O-N 3.15Å |
| 34 | V | 84.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -39.3 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | L22 R30 K31 K36 V37 I38 C57 L65 L68 V69 | L22-V34 HydrophobicContact CD2-CB 4.45Å; L22-V34 HydrophobicContact CD2-CG2 3.47Å; L22-V34 VanDerWaalsContact CD2-CG2 3.47Å; R30-V34 WeakPolarHBondContact O-CG2 3.5Å; R30-V34 PolarHBondContact O-N 3.04Å; K31-V34 PolarHBondContact O-N 2.63Å; V34-K36 VanDerWaalsContact C-N 3.34Å; V34-K36 PolarHBondContact O-N 3.47Å; V34-V37 WeakPolarHBondContact O-CB 3.42Å; V34-V37 PolarHBondContact O-N 3.28Å; V34-V37 VanDerWaalsContact O-N 3.16Å; V34-I38 HydrophobicContact CG1-CG1 4.34Å; V34-I38 WeakPolarHBondContact O-CG1 3.48Å; V34-I38 PolarHBondContact O-N 3.21Å; V34-C57 HydrophobicContact CG2-CB 4.35Å; V34-L65 HydrophobicContact CB-CD1 3.85Å; V34-L65 HydrophobicContact CG1-CD1 4.3Å; V34-L65 HydrophobicContact CG2-CD1 3.65Å; V34-L68 HydrophobicContact CG1-CB 3.51Å; V34-L68 HydrophobicContact CG1-CD1 4.36Å; V34-V69 HydrophobicContact CG1-CG2 4.32Å; V34-V69 HydrophobicContact CG2-CG2 4.35Å |
| 35 | K | 85.8 | Confident | 81.2 | Confident | 33 Ų | 33 | 59.3 Ų | 59.3 | 14% | 0.143 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 173.1 | -74.1 | -173.2 | 177.8 | -165.9 | 0 | 112.4 | Y6 K31 E32 A33 I38 A39 E64 L68 | Y6-K35 HydrophobicContact CD1-CB 4.47Å; Y6-K35 HydrophobicContact CD2-CB 4.32Å; Y6-K35 HydrophobicContact CE1-CB 4.23Å; Y6-K35 HydrophobicContact CE2-CB 4.11Å; Y6-K35 HydrophobicContact CE2-CD 3.88Å; K31-K35 WeakPolarHBondContact O-CG 3.48Å; K31-K35 PolarHBondContact O-N 2.92Å; E32-K35 PolarHBondContact O-N 3.04Å; A33-K35 VanDerWaalsContact C-N 3.32Å; A33-K35 PolarHBondContact O-N 3.48Å; K35-I38 PolarHBondContact O-N 2.88Å; K35-A39 WeakPolarHBondContact O-CB 3.45Å; K35-A39 PolarHBondContact O-N 3.39Å; K35-E64 WeakPolarHBondContact CE-OE1 3.17Å; K35-E64 IonicContact NZ-OE1 2.66Å; K35-E64 PolarHBondContact NZ-OE1 3.4Å; K35-L68 HydrophobicContact CG-CD1 3.58Å |
| 36 | K | 84.9 | Confident | 81.4 | Confident | 63 Ų | 63 | 55.2 Ų | 55.2 | 27% | 0.274 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 174.2 | -69.4 | 172.4 | -175.9 | 177.8 | 0 | 112.2 | Y6 L18 E21 E32 A33 V34 A39 A40 | Y6-K36 HydrophobicContact CD1-CG 3.56Å; Y6-K36 HydrophobicContact CE1-CG 4.18Å; Y6-K36 HydrophobicContact CG-CG 4.49Å; L18-K36 HydrophobicContact CD2-CB 3.53Å; L18-K36 HydrophobicContact CD2-CD 3.73Å; L18-K36 HydrophobicContact CD2-CG 4.31Å; E21-K36 VanDerWaalsContact CD-NZ 3.27Å; E21-K36 IonicContact OE1-NZ 2.68Å; E21-K36 PolarHBondContact OE1-NZ 3.06Å; E21-K36 IonicContact OE2-NZ 3.21Å; E21-K36 PolarHBondContact OE2-NZ 3.14Å; E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 3.29Å; A33-K36 WeakPolarHBondContact O-CB 3.45Å; A33-K36 PolarHBondContact O-N 3.09Å; V34-K36 VanDerWaalsContact C-N 3.34Å; V34-K36 PolarHBondContact O-N 3.47Å; K36-A39 PolarHBondContact O-N 3.13Å; K36-A40 WeakPolarHBondContact O-CB 3.4Å; K36-A40 PolarHBondContact O-N 3.01Å |
| 37 | V | 84.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62 | -46 | 176 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | L18 L22 A33 V34 A40 M41 V47 L50 V54 Y72 | L18-V37 HydrophobicContact CB-CG2 4.4Å; L18-V37 HydrophobicContact CD1-CG2 4.11Å; L18-V37 HydrophobicContact CD2-CG2 4.3Å; L22-V37 HydrophobicContact CD1-CG2 4.17Å; L22-V37 HydrophobicContact CD2-CG2 4.45Å; A33-V37 WeakPolarHBondContact O-CG2 3.36Å; A33-V37 PolarHBondContact O-N 3.15Å; V34-V37 WeakPolarHBondContact O-CB 3.42Å; V34-V37 PolarHBondContact O-N 3.28Å; V34-V37 VanDerWaalsContact O-N 3.16Å; V37-A40 PolarHBondContact O-N 3.44Å; V37-M41 WeakPolarHBondContact O-CB 3.35Å; V37-M41 PolarHBondContact O-N 3.13Å; V37-V47 HydrophobicContact CG1-CB 4.1Å; V37-V47 HydrophobicContact CG1-CG1 4.43Å; V37-V47 HydrophobicContact CG1-CG2 3.88Å; V37-L50 HydrophobicContact CG1-CD1 4.47Å; V37-L50 HydrophobicContact CG2-CD1 3.71Å; V37-V54 HydrophobicContact CG1-CG2 4.34Å; V37-Y72 HydrophobicContact CG1-CD2 3.67Å; V37-Y72 HydrophobicContact CG1-CE2 3.61Å |
| 38 | I | 83.2 | Confident | 81.7 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 9% | 0.087 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.5 | -65.9 | -61.9 | 0 | 0 | 0 | 110.9 | V34 K35 A40 M41 T42 L68 L71 | V34-I38 HydrophobicContact CG1-CG1 4.34Å; V34-I38 WeakPolarHBondContact O-CG1 3.48Å; V34-I38 PolarHBondContact O-N 3.21Å; K35-I38 PolarHBondContact O-N 2.88Å; I38-A40 VanDerWaalsContact C-N 3.35Å; I38-A40 PolarHBondContact O-N 3.39Å; I38-M41 HydrophobicContact CD1-CE 3.77Å; I38-M41 HydrophobicContact CD1-SD 4.38Å; I38-M41 WeakPolarHBondContact O-CB 3.32Å; I38-M41 PolarHBondContact O-N 3.45Å; I38-T42 PolarHBondContact O-N 2.91Å; I38-T42 PolarHBondContact O-OG1 3.15Å; I38-L68 HydrophobicContact CG1-CB 4.38Å; I38-L68 HydrophobicContact CG1-CD2 4.25Å; I38-L71 HydrophobicContact CD1-CB 4.41Å; I38-L71 HydrophobicContact CD1-CD2 4.29Å; I38-L71 HydrophobicContact CD1-CG 4.31Å; I38-L71 HydrophobicContact CG2-CD2 4.09Å |
| 39 | A | 81.1 | Confident | 81.9 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F7 K35 K36 M41 T42 V43 | F7-A39 HydrophobicContact CD1-CB 4.03Å; F7-A39 HydrophobicContact CE1-CB 3.82Å; F7-A39 HydrophobicContact CE2-CB 4.34Å; F7-A39 HydrophobicContact CG-CB 4.38Å; F7-A39 HydrophobicContact CZ-CB 3.99Å; K35-A39 WeakPolarHBondContact O-CB 3.45Å; K35-A39 PolarHBondContact O-N 3.39Å; K36-A39 PolarHBondContact O-N 3.13Å; A39-M41 VanDerWaalsContact C-N 3.33Å; A39-M41 PolarHBondContact O-N 2.85Å; A39-T42 PolarHBondContact O-N 3.29Å; A39-V43 VanDerWaalsContact O-CG2 3.28Å; A39-V43 WeakPolarHBondContact O-CG2 3.46Å; A39-V43 PolarHBondContact O-N 3.29Å |
| 40 | A | 81.8 | Confident | 82 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | K36 V37 I38 V43 G44 K45 V47 | K36-A40 WeakPolarHBondContact O-CB 3.4Å; K36-A40 PolarHBondContact O-N 3.01Å; V37-A40 PolarHBondContact O-N 3.44Å; I38-A40 VanDerWaalsContact C-N 3.35Å; I38-A40 PolarHBondContact O-N 3.39Å; A40-V43 PolarHBondContact O-N 2.61Å; A40-G44 PolarHBondContact O-N 3.28Å; A40-K45 HydrophobicContact CB-CB 4.26Å; A40-K45 HydrophobicContact CB-CD 4.11Å; A40-K45 WeakPolarHBondContact O-CB 3.29Å; A40-K45 PolarHBondContact O-N 3.17Å; A40-V47 HydrophobicContact CB-CG1 3.94Å |
| 41 | M | 82.7 | Confident | 82 | Confident | 23 Ų | 23 | 35.2 Ų | 35.2 | 11% | 0.113 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 175 | -174.8 | -176.1 | 80.3 | 0 | 0 | 111.8 | V37 I38 A39 V43 G44 V47 L71 Y72 N75 Y76 | V37-M41 WeakPolarHBondContact O-CB 3.35Å; V37-M41 PolarHBondContact O-N 3.13Å; I38-M41 HydrophobicContact CD1-CE 3.77Å; I38-M41 HydrophobicContact CD1-SD 4.38Å; I38-M41 WeakPolarHBondContact O-CB 3.32Å; I38-M41 PolarHBondContact O-N 3.45Å; A39-M41 VanDerWaalsContact C-N 3.33Å; A39-M41 PolarHBondContact O-N 2.85Å; M41-V43 VanDerWaalsContact C-N 3.28Å; M41-V43 PolarHBondContact O-N 3.19Å; M41-G44 WeakPolarHBondContact O-CA 3.46Å; M41-G44 PolarHBondContact O-N 3.05Å; M41-V47 HydrophobicContact CB-CG2 3.97Å; M41-V47 HydrophobicContact CG-CG2 4.45Å; M41-L71 HydrophobicContact CE-CG 4.4Å; M41-Y72 HydrophobicContact SD-CD2 4.24Å; M41-N75 HydrophobicContact CE-CB 4.24Å; M41-N75 VanDerWaalsContact CG-ND2 3.3Å; M41-N75 WeakPolarHBondContact CG-ND2 3.31Å; M41-N75 HydrophobicContact SD-CB 3.82Å; M41-N75 PolarHBondContact SD-ND2 3.49Å; M41-Y76 HydrophobicContact CG-CE2 3.87Å; M41-Y76 HydrophobicContact SD-CD2 4.11Å; M41-Y76 HydrophobicContact SD-CE2 3.57Å; M41-Y76 VanDerWaalsContact SD-CE2 3.57Å |
| 42 | T | 80.3 | Confident | 82 | Confident | 98 Ų | 98 | 36.9 Ų | 36.9 | 60% | 0.601 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -64.1 | -31.5 | 176.9 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | F7 I38 A39 G44 | F7-T42 HydrophobicContact CE1-CG2 4.37Å; I38-T42 PolarHBondContact O-N 2.91Å; I38-T42 PolarHBondContact O-OG1 3.15Å; A39-T42 PolarHBondContact O-N 3.29Å; T42-G44 PolarHBondContact O-N 2.89Å |
| 43 | V | 81.2 | Confident | 82.1 | Confident | 84 Ų | 84 | 35 Ų | 35 | 51% | 0.509 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.9 | 173.9 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | F7 A39 A40 M41 | F7-V43 HydrophobicContact CD1-CG2 3.78Å; F7-V43 HydrophobicContact CE1-CG2 4.37Å; A39-V43 VanDerWaalsContact O-CG2 3.28Å; A39-V43 WeakPolarHBondContact O-CG2 3.46Å; A39-V43 PolarHBondContact O-N 3.29Å; A40-V43 PolarHBondContact O-N 2.61Å; M41-V43 VanDerWaalsContact C-N 3.28Å; M41-V43 PolarHBondContact O-N 3.19Å |
| 44 | G | 76.2 | Confident | 82 | Confident | 67 Ų | 67 | 35 Ų | 35 | 69% | 0.691 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | 13.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A40 M41 T42 | A40-G44 PolarHBondContact O-N 3.28Å; M41-G44 WeakPolarHBondContact O-CA 3.46Å; M41-G44 PolarHBondContact O-N 3.05Å; T42-G44 PolarHBondContact O-N 2.89Å |
| 45 | K | 79.9 | Confident | 81.8 | Confident | 65 Ų | 65 | 35.9 Ų | 35.9 | 28% | 0.283 | 22% | 0.219 | S | C | . | . | trans | -73.5 | 136.7 | 171.3 | -67 | -179.3 | 180 | 165.7 | 0 | 109.8 | T9 N10 E14 A40 V47 | T9-K45 PolarHBondContact O-NZ 2.67Å; N10-K45 VanDerWaalsContact OD1-CE 3.25Å; N10-K45 WeakPolarHBondContact OD1-CE 3.26Å; N10-K45 PolarHBondContact OD1-NZ 3.37Å; E14-K45 IonicContact OE2-NZ 2.85Å; E14-K45 PolarHBondContact OE2-NZ 3.32Å; A40-K45 HydrophobicContact CB-CB 4.26Å; A40-K45 HydrophobicContact CB-CD 4.11Å; A40-K45 WeakPolarHBondContact O-CB 3.29Å; A40-K45 PolarHBondContact O-N 3.17Å; K45-V47 PolarHBondContact O-N 3Å | ||
| 46 | D | 79 | Confident | 81.6 | Confident | 101 Ų | 101 | 38.2 Ų | 38.2 | 54% | 0.54 | 23% | 0.233 | S | C | . | . | trans | -74.8 | 107.6 | 172.8 | -176.2 | 15.2 | 0 | 0 | 0 | 110.9 | S48 | D46-S48 VanDerWaalsContact CG-OG 3.28Å; D46-S48 WeakPolarHBondContact OD1-CB 3.45Å; D46-S48 PolarHBondContact OD1-N 3.12Å; D46-S48 PolarHBondContact OD1-OG 3.48Å; D46-S48 PolarHBondContact OD2-OG 2.75Å; D46-S48 VanDerWaalsContact OD2-OG 3.13Å | ||
| 47 | V | 81.9 | Confident | 81.5 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | trans | -105.4 | 11.3 | 175.6 | -71.1 | 0 | 0 | 0 | 0 | 112.4 | V37 A40 M41 K45 S49 L50 Y72 Y76 | V37-V47 HydrophobicContact CG1-CB 4.1Å; V37-V47 HydrophobicContact CG1-CG1 4.43Å; V37-V47 HydrophobicContact CG1-CG2 3.88Å; A40-V47 HydrophobicContact CB-CG1 3.94Å; M41-V47 HydrophobicContact CB-CG2 3.97Å; M41-V47 HydrophobicContact CG-CG2 4.45Å; K45-V47 PolarHBondContact O-N 3Å; V47-S49 PolarHBondContact O-N 3.01Å; V47-L50 HydrophobicContact CB-CD1 4.28Å; V47-L50 HydrophobicContact CG1-CD1 4.42Å; V47-L50 WeakPolarHBondContact O-CB 3.34Å; V47-L50 PolarHBondContact O-N 3.33Å; V47-Y72 HydrophobicContact CB-CE2 4.4Å; V47-Y72 HydrophobicContact CG2-CD2 4.44Å; V47-Y72 HydrophobicContact CG2-CE2 3.71Å; V47-Y72 PolarHBondContact O-OH 2.95Å; V47-Y76 HydrophobicContact CG2-CE2 3.63Å; V47-Y76 WeakPolarHBondContact CG2-OH 3.44Å; V47-Y76 PolarHBondContact N-OH 3.14Å | ||
| 48 | S | 79.2 | Confident | 81.1 | Confident | 21 Ų | 21 | 35.2 Ų | 35.2 | 15% | 0.147 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -53.2 | -31.9 | -178.2 | 61.7 | 0 | 0 | 0 | 0 | 114 | D46 L50 F51 | D46-S48 VanDerWaalsContact CG-OG 3.28Å; D46-S48 WeakPolarHBondContact OD1-CB 3.45Å; D46-S48 PolarHBondContact OD1-N 3.12Å; D46-S48 PolarHBondContact OD1-OG 3.48Å; D46-S48 PolarHBondContact OD2-OG 2.75Å; D46-S48 VanDerWaalsContact OD2-OG 3.13Å; S48-L50 PolarHBondContact O-N 2.99Å; S48-L50 VanDerWaalsContact O-N 3.14Å; S48-F51 VanDerWaalsContact O-CB 3.25Å; S48-F51 WeakPolarHBondContact O-CB 3.38Å; S48-F51 PolarHBondContact O-N 3.12Å |
| 49 | S | 82.3 | Confident | 80.9 | Confident | 67 Ų | 67 | 41.2 Ų | 41.2 | 47% | 0.469 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -61.7 | -18.1 | 176.2 | 62.6 | 0 | 0 | 0 | 0 | 114.7 | I15 V47 | I15-S49 WeakPolarHBondContact CG2-OG 3.25Å; V47-S49 PolarHBondContact O-N 3.01Å |
| 50 | L | 83.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -89.5 | 0.4 | 177.3 | -59.4 | 177.3 | 0 | 0 | 0 | 113 | I15 L18 K19 L22 V37 V47 S48 D53 V54 | I15-L50 HydrophobicContact CG2-CD1 4.44Å; I15-L50 HydrophobicContact CG2-CD2 3.81Å; I15-L50 HydrophobicContact CG2-CG 4.06Å; L18-L50 HydrophobicContact CB-CD1 3.89Å; L18-L50 HydrophobicContact CD1-CD1 4.22Å; K19-L50 HydrophobicContact CB-CD2 3.7Å; K19-L50 HydrophobicContact CG-CD2 4.37Å; L22-L50 HydrophobicContact CD1-CB 4.11Å; L22-L50 HydrophobicContact CD1-CD1 4.17Å; L22-L50 HydrophobicContact CD1-CD2 4.27Å; L22-L50 HydrophobicContact CD1-CG 4.42Å; V37-L50 HydrophobicContact CG1-CD1 4.47Å; V37-L50 HydrophobicContact CG2-CD1 3.71Å; V47-L50 HydrophobicContact CB-CD1 4.28Å; V47-L50 HydrophobicContact CG1-CD1 4.42Å; V47-L50 WeakPolarHBondContact O-CB 3.34Å; V47-L50 PolarHBondContact O-N 3.33Å; S48-L50 PolarHBondContact O-N 2.99Å; S48-L50 VanDerWaalsContact O-N 3.14Å; L50-D53 WeakPolarHBondContact O-CB 3.32Å; L50-D53 PolarHBondContact O-N 3.17Å; L50-V54 HydrophobicContact CB-CG2 4.18Å; L50-V54 WeakPolarHBondContact O-CG2 3.49Å; L50-V54 PolarHBondContact O-N 3.18Å |
| 51 | F | 81.4 | Confident | 80.3 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -51.3 | -49.8 | -174.8 | -164.7 | -71.8 | 0 | 0 | 0 | 114.1 | S48 D53 V54 V55 Y72 L73 Q80 M83 A84 | S48-F51 VanDerWaalsContact O-CB 3.25Å; S48-F51 WeakPolarHBondContact O-CB 3.38Å; S48-F51 PolarHBondContact O-N 3.12Å; F51-D53 VanDerWaalsContact C-N 3.3Å; F51-D53 PolarHBondContact O-N 2.98Å; F51-V54 PolarHBondContact O-N 3.36Å; F51-V55 HydrophobicContact CD1-CG2 3.6Å; F51-V55 HydrophobicContact CE1-CG2 3.43Å; F51-V55 VanDerWaalsContact CE1-CG2 3.43Å; F51-V55 HydrophobicContact CZ-CG2 4.33Å; F51-V55 WeakPolarHBondContact O-CB 3.48Å; F51-V55 VanDerWaalsContact O-CG2 3.27Å; F51-V55 WeakPolarHBondContact O-CG2 3.42Å; F51-V55 PolarHBondContact O-N 3.17Å; F51-Y72 WeakPolarHBondContact CA-OH 3.44Å; F51-Y72 HydrophobicContact CB-CE1 4.2Å; F51-Y72 AromaticContact CD2-CE1 3.72Å; F51-Y72 HydrophobicContact CD2-CE1 3.72Å; F51-Y72 HydrophobicContact CE2-CE1 4.4Å; F51-Y72 HydrophobicContact CG-CE1 4.1Å; F51-Y72 PolarHBondContact N-OH 3.5Å; F51-L73 HydrophobicContact CE1-CD2 3.81Å; F51-L73 HydrophobicContact CE2-CD2 3.84Å; F51-L73 HydrophobicContact CZ-CD2 3.35Å; F51-Q80 VanDerWaalsContact CB-OE1 3.32Å; F51-Q80 HydrophobicContact CE2-CB 4.46Å; F51-M83 HydrophobicContact CD1-CB 3.61Å; F51-M83 HydrophobicContact CD1-CE 4.1Å; F51-M83 HydrophobicContact CD1-CG 4.41Å; F51-M83 HydrophobicContact CE1-CB 3.4Å; F51-M83 VanDerWaalsContact CE1-CB 3.4Å; F51-M83 HydrophobicContact CG-CB 4.38Å; F51-M83 HydrophobicContact CZ-CB 4.02Å; F51-A84 HydrophobicContact CZ-CB 4.38Å |
| 52 | P | 80.8 | Confident | 80.3 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 178.2 | -2.4 | 8.3 | 0 | 0 | 0 | 112.7 | V55 N56 M83 | P52-V55 PolarHBondContact O-N 3.05Å; P52-N56 PolarHBondContact O-N 3.32Å; P52-M83 HydrophobicContact CB-CE 3.89Å; P52-M83 HydrophobicContact CG-CE 3.54Å |
| 53 | D | 84.6 | Confident | 80.3 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 8% | 0.075 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.8 | -37.7 | -178.4 | -56.4 | -75.2 | 0 | 0 | 0 | 111.5 | K19 L22 N23 L50 F51 C57 | K19-D53 WeakPolarHBondContact CE-OD1 3.18Å; K19-D53 WeakPolarHBondContact CE-OD2 3.34Å; K19-D53 IonicContact NZ-OD2 3.09Å; L22-D53 HydrophobicContact CB-CB 4.19Å; L22-D53 HydrophobicContact CD1-CB 3.9Å; N23-D53 PolarHBondContact ND2-OD1 3.41Å; L50-D53 WeakPolarHBondContact O-CB 3.32Å; L50-D53 PolarHBondContact O-N 3.17Å; F51-D53 VanDerWaalsContact C-N 3.3Å; F51-D53 PolarHBondContact O-N 2.98Å; D53-C57 PolarHBondContact O-N 3.32Å; D53-C57 PolarHBondContact O-SG 3.34Å; D53-C57 VanDerWaalsContact O-SG 3.34Å |
| 54 | V | 84.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.1 | -41.3 | 175.2 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | L22 V37 L50 F51 N56 C57 V69 Y72 | L22-V54 HydrophobicContact CD1-CG2 3.82Å; L22-V54 HydrophobicContact CD2-CG2 4.28Å; V37-V54 HydrophobicContact CG1-CG2 4.34Å; L50-V54 HydrophobicContact CB-CG2 4.18Å; L50-V54 WeakPolarHBondContact O-CG2 3.49Å; L50-V54 PolarHBondContact O-N 3.18Å; F51-V54 PolarHBondContact O-N 3.36Å; V54-N56 VanDerWaalsContact C-N 3.28Å; V54-N56 PolarHBondContact O-N 3.42Å; V54-C57 WeakPolarHBondContact O-CA 3.43Å; V54-C57 VanDerWaalsContact O-CB 3.3Å; V54-C57 WeakPolarHBondContact O-CB 3.4Å; V54-C57 PolarHBondContact O-N 2.8Å; V54-V69 HydrophobicContact CG1-CB 4.44Å; V54-V69 HydrophobicContact CG1-CG1 4.06Å; V54-V69 HydrophobicContact CG1-CG2 4.23Å; V54-V69 WeakPolarHBondContact O-CG1 3.39Å; V54-Y72 HydrophobicContact CB-CD1 3.97Å; V54-Y72 HydrophobicContact CB-CE1 3.97Å; V54-Y72 HydrophobicContact CB-CG 4.43Å; V54-Y72 HydrophobicContact CG1-CD1 3.51Å; V54-Y72 HydrophobicContact CG1-CD2 4.39Å; V54-Y72 HydrophobicContact CG1-CE1 4.04Å; V54-Y72 HydrophobicContact CG1-CG 3.72Å; V54-Y72 HydrophobicContact CG2-CD1 4.39Å; V54-Y72 HydrophobicContact CG2-CD2 4.43Å; V54-Y72 HydrophobicContact CG2-CE1 4.22Å; V54-Y72 HydrophobicContact CG2-CE2 4.21Å |
| 55 | V | 80.3 | Confident | 80.7 | Confident | 20 Ų | 20 | 42.3 Ų | 42.3 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60 | -38.9 | 174.7 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | F51 P52 C57 M58 L73 | F51-V55 HydrophobicContact CD1-CG2 3.6Å; F51-V55 HydrophobicContact CE1-CG2 3.43Å; F51-V55 VanDerWaalsContact CE1-CG2 3.43Å; F51-V55 HydrophobicContact CZ-CG2 4.33Å; F51-V55 WeakPolarHBondContact O-CB 3.48Å; F51-V55 VanDerWaalsContact O-CG2 3.27Å; F51-V55 WeakPolarHBondContact O-CG2 3.42Å; F51-V55 PolarHBondContact O-N 3.17Å; P52-V55 PolarHBondContact O-N 3.05Å; V55-C57 PolarHBondContact O-N 3.08Å; V55-M58 HydrophobicContact CG1-CE 4.06Å; V55-M58 WeakPolarHBondContact O-CB 3.49Å; V55-M58 PolarHBondContact O-N 2.87Å; V55-L73 HydrophobicContact CG2-CD2 3.65Å |
| 56 | N | 81.7 | Confident | 81 | Confident | 81 Ų | 81 | 39.4 Ų | 39.4 | 43% | 0.433 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.6 | -28.4 | 175.5 | -167 | 37.1 | 0 | 0 | 0 | 112.6 | P52 V54 M58 | P52-N56 PolarHBondContact O-N 3.32Å; V54-N56 VanDerWaalsContact C-N 3.28Å; V54-N56 PolarHBondContact O-N 3.42Å; N56-M58 PolarHBondContact O-N 2.96Å |
| 57 | C | 80.9 | Confident | 81.3 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -11.4 | 175.3 | -64.4 | 0 | 0 | 0 | 0 | 113.8 | L22 V34 D53 V54 V55 Q59 T60 V69 | L22-C57 PolarHBondContact O-SG 2.96Å; L22-C57 VanDerWaalsContact O-SG 3.4Å; V34-C57 HydrophobicContact CG2-CB 4.35Å; D53-C57 PolarHBondContact O-N 3.32Å; D53-C57 PolarHBondContact O-SG 3.34Å; D53-C57 VanDerWaalsContact O-SG 3.34Å; V54-C57 WeakPolarHBondContact O-CA 3.43Å; V54-C57 VanDerWaalsContact O-CB 3.3Å; V54-C57 WeakPolarHBondContact O-CB 3.4Å; V54-C57 PolarHBondContact O-N 2.8Å; V55-C57 PolarHBondContact O-N 3.08Å; C57-Q59 VanDerWaalsContact C-N 3.27Å; C57-Q59 PolarHBondContact O-N 3.22Å; C57-T60 VanDerWaalsContact O-CG2 3.28Å; C57-T60 WeakPolarHBondContact O-CG2 3.44Å; C57-V69 HydrophobicContact CB-CG2 3.97Å |
| 58 | M | 77.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.6 | 177.5 | -167.1 | 165.6 | 43.4 | 0 | 0 | 113.1 | V55 N56 T60 K66 V69 Y70 L73 A87 S90 F91 | V55-M58 HydrophobicContact CG1-CE 4.06Å; V55-M58 WeakPolarHBondContact O-CB 3.49Å; V55-M58 PolarHBondContact O-N 2.87Å; N56-M58 PolarHBondContact O-N 2.96Å; M58-T60 PolarHBondContact O-N 2.9Å; M58-K66 PolarHBondContact O-NZ 2.65Å; M58-V69 HydrophobicContact CB-CG1 3.84Å; M58-V69 HydrophobicContact CG-CG1 4.21Å; M58-Y70 HydrophobicContact CG-CD1 4.42Å; M58-Y70 HydrophobicContact CG-CE1 3.73Å; M58-Y70 HydrophobicContact SD-CD1 4.16Å; M58-Y70 HydrophobicContact SD-CE1 3.59Å; M58-Y70 VanDerWaalsContact SD-CE1 3.59Å; M58-L73 HydrophobicContact CE-CD1 4.42Å; M58-L73 HydrophobicContact SD-CD1 3.81Å; M58-A87 HydrophobicContact CE-CB 3.69Å; M58-A87 HydrophobicContact SD-CB 4.48Å; M58-S90 WeakPolarHBondContact CE-OG 3.47Å; M58-F91 HydrophobicContact SD-CE1 4.26Å; M58-F91 HydrophobicContact SD-CZ 4.31Å |
| 59 | Q | 78.7 | Confident | 81.8 | Confident | 143 Ų | 143 | 38.8 Ų | 38.8 | 67% | 0.668 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -76 | 63.2 | 176.5 | -60.8 | -172 | 8.6 | 0 | 0 | 111.1 | C57 | C57-Q59 VanDerWaalsContact C-N 3.27Å; C57-Q59 PolarHBondContact O-N 3.22Å |
| 60 | T | 77.6 | Confident | 81.9 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | trans | -142.4 | 144.7 | -178.7 | -166.4 | 0 | 0 | 0 | 0 | 109.8 | C57 M58 N62 L65 K66 | C57-T60 VanDerWaalsContact O-CG2 3.28Å; C57-T60 WeakPolarHBondContact O-CG2 3.44Å; M58-T60 PolarHBondContact O-N 2.9Å; T60-N62 HydrophobicContact CG2-CB 4.44Å; T60-N62 PolarHBondContact O-N 2.85Å; T60-L65 HydrophobicContact CG2-CB 3.97Å; T60-L65 HydrophobicContact CG2-CD2 3.85Å; T60-L65 HydrophobicContact CG2-CG 3.91Å; T60-K66 HydrophobicContact CG2-CG 3.94Å; T60-K66 WeakPolarHBondContact O-CE 3.4Å; T60-K66 PolarHBondContact O-NZ 3.44Å | ||
| 61 | D | 73.3 | Confident | 82 | Confident | 125 Ų | 125 | 37.4 Ų | 37.4 | 67% | 0.668 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -84.4 | -3.8 | 176 | -36.7 | -55.7 | 0 | 0 | 0 | 111.7 | L63 | D61-L63 PolarHBondContact O-N 2.72Š|
| 62 | N | 81.7 | Confident | 82.2 | Confident | 56 Ų | 56 | 37.4 Ų | 37.4 | 30% | 0.299 | 19% | 0.192 | S | C | . | . | trans | -77.8 | 111.1 | -179.5 | -173.8 | -52.6 | 0 | 0 | 0 | 110.6 | T60 E64 L65 K66 | T60-N62 HydrophobicContact CG2-CB 4.44Å; T60-N62 PolarHBondContact O-N 2.85Å; N62-E64 VanDerWaalsContact C-N 3.34Å; N62-E64 PolarHBondContact O-N 3.41Å; N62-E64 WeakPolarHBondContact OD1-CB 3.3Å; N62-E64 PolarHBondContact OD1-N 3.38Å; N62-L65 HydrophobicContact CB-CB 4.07Å; N62-L65 PolarHBondContact O-N 2.97Å; N62-L65 PolarHBondContact OD1-N 3.48Å; N62-L65 VanDerWaalsContact OD1-N 3.07Å; N62-K66 PolarHBondContact O-N 2.9Å | ||
| 63 | L | 80.7 | Confident | 82.4 | Confident | 41 Ų | 41 | 34.4 Ų | 34.4 | 22% | 0.215 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.4 | -39.8 | -178.7 | -174.9 | 68.5 | 0 | 0 | 0 | 113.5 | D61 K66 K67 L101 I102 L105 | D61-L63 PolarHBondContact O-N 2.72Å; L63-K66 PolarHBondContact O-N 3.12Å; L63-K67 WeakPolarHBondContact O-CG 3.32Å; L63-K67 PolarHBondContact O-N 2.98Å; L63-L101 HydrophobicContact CD1-CB 4.26Å; L63-L101 HydrophobicContact CD2-CB 4.28Å; L63-L101 HydrophobicContact CD2-CD1 3.92Å; L63-I102 HydrophobicContact CD1-CG1 3.77Å; L63-L105 HydrophobicContact CD1-CD2 4.25Å |
| 64 | E | 83.3 | Confident | 82.3 | Confident | 78 Ų | 78 | 35.7 Ų | 35.7 | 36% | 0.364 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 179.4 | -171 | -175.1 | 156 | 0 | 0 | 110.7 | K31 K35 N62 K67 L68 | K31-E64 WeakPolarHBondContact CE-OE1 3.31Å; K31-E64 WeakPolarHBondContact CE-OE2 3.39Å; K31-E64 IonicContact NZ-OE1 2.8Å; K31-E64 PolarHBondContact NZ-OE1 2.93Å; K31-E64 IonicContact NZ-OE2 2.91Å; K31-E64 PolarHBondContact NZ-OE2 2.7Å; K35-E64 WeakPolarHBondContact CE-OE1 3.17Å; K35-E64 IonicContact NZ-OE1 2.66Å; K35-E64 PolarHBondContact NZ-OE1 3.4Å; N62-E64 VanDerWaalsContact C-N 3.34Å; N62-E64 PolarHBondContact O-N 3.41Å; N62-E64 WeakPolarHBondContact OD1-CB 3.3Å; N62-E64 PolarHBondContact OD1-N 3.38Å; E64-K67 PolarHBondContact O-N 3.37Å; E64-L68 WeakPolarHBondContact O-CG 3.3Å; E64-L68 PolarHBondContact O-N 2.89Å |
| 65 | L | 82.8 | Confident | 82.2 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65 | -43.5 | 176.8 | -174.4 | 53 | 0 | 0 | 0 | 111.4 | K31 V34 T60 N62 K67 L68 V69 | K31-L65 HydrophobicContact CB-CD1 4.39Å; V34-L65 HydrophobicContact CB-CD1 3.85Å; V34-L65 HydrophobicContact CG1-CD1 4.3Å; V34-L65 HydrophobicContact CG2-CD1 3.65Å; T60-L65 HydrophobicContact CG2-CB 3.97Å; T60-L65 HydrophobicContact CG2-CD2 3.85Å; T60-L65 HydrophobicContact CG2-CG 3.91Å; N62-L65 HydrophobicContact CB-CB 4.07Å; N62-L65 PolarHBondContact O-N 2.97Å; N62-L65 PolarHBondContact OD1-N 3.48Å; N62-L65 VanDerWaalsContact OD1-N 3.07Å; L65-K67 PolarHBondContact O-N 3.42Å; L65-L68 PolarHBondContact O-N 3.17Å; L65-V69 HydrophobicContact CD1-CG2 4.35Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 3.41Å |
| 66 | K | 85.4 | Confident | 82.2 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 2% | 0.022 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.1 | -46.7 | 174.2 | -79.8 | -166.5 | -177.9 | -65.9 | 0 | 111.8 | M58 T60 N62 L63 L68 V69 Y70 D94 I102 | M58-K66 PolarHBondContact O-NZ 2.65Å; T60-K66 HydrophobicContact CG2-CG 3.94Å; T60-K66 WeakPolarHBondContact O-CE 3.4Å; T60-K66 PolarHBondContact O-NZ 3.44Å; N62-K66 PolarHBondContact O-N 2.9Å; L63-K66 PolarHBondContact O-N 3.12Å; K66-L68 VanDerWaalsContact C-N 3.29Å; K66-L68 PolarHBondContact O-N 2.87Å; K66-V69 PolarHBondContact O-N 3.41Å; K66-Y70 WeakPolarHBondContact O-CB 3.38Å; K66-Y70 WeakPolarHBondContact O-CD1 3.46Å; K66-Y70 VanDerWaalsContact O-CG 3.29Å; K66-Y70 PolarHBondContact O-N 3.34Å; K66-D94 IonicContact NZ-OD1 3.24Å; K66-D94 PolarHBondContact NZ-OD1 3.4Å; K66-D94 IonicContact NZ-OD2 2.66Å; K66-D94 PolarHBondContact NZ-OD2 2.8Å; K66-I102 HydrophobicContact CD-CD1 4.29Å; K66-I102 HydrophobicContact CD-CG1 4.38Å; K66-I102 HydrophobicContact CD-CG2 3.99Å |
| 67 | K | 85.3 | Confident | 81.9 | Confident | 82 Ų | 82 | 35.3 Ų | 35.3 | 36% | 0.357 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -55.3 | -44 | 177.1 | -76.6 | 177.5 | -179.8 | -173.2 | 0 | 112.2 | L63 E64 L65 Y70 L71 L105 | L63-K67 WeakPolarHBondContact O-CG 3.32Å; L63-K67 PolarHBondContact O-N 2.98Å; E64-K67 PolarHBondContact O-N 3.37Å; L65-K67 PolarHBondContact O-N 3.42Å; K67-Y70 PolarHBondContact O-N 3.4Å; K67-L71 WeakPolarHBondContact O-CB 3.18Å; K67-L71 PolarHBondContact O-N 3.49Å; K67-L105 HydrophobicContact CB-CD2 4.5Å; K67-L105 HydrophobicContact CG-CD1 4.38Å; K67-L105 HydrophobicContact CG-CD2 3.62Å |
| 68 | L | 85 | Confident | 81.7 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 16% | 0.157 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.4 | -43 | 178.9 | -63.7 | 170.2 | 0 | 0 | 0 | 111.9 | V34 K35 I38 E64 L65 K66 Y70 L71 Y72 | V34-L68 HydrophobicContact CG1-CB 3.51Å; V34-L68 HydrophobicContact CG1-CD1 4.36Å; K35-L68 HydrophobicContact CG-CD1 3.58Å; I38-L68 HydrophobicContact CG1-CB 4.38Å; I38-L68 HydrophobicContact CG1-CD2 4.25Å; E64-L68 WeakPolarHBondContact O-CG 3.3Å; E64-L68 PolarHBondContact O-N 2.89Å; L65-L68 PolarHBondContact O-N 3.17Å; K66-L68 VanDerWaalsContact C-N 3.29Å; K66-L68 PolarHBondContact O-N 2.87Å; L68-Y70 VanDerWaalsContact C-N 3.32Å; L68-Y70 PolarHBondContact O-N 3.23Å; L68-L71 PolarHBondContact O-N 2.87Å; L68-Y72 PolarHBondContact O-N 2.97Å |
| 69 | V | 85.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | V34 V54 C57 M58 L65 K66 Y72 L73 | V34-V69 HydrophobicContact CG1-CG2 4.32Å; V34-V69 HydrophobicContact CG2-CG2 4.35Å; V54-V69 HydrophobicContact CG1-CB 4.44Å; V54-V69 HydrophobicContact CG1-CG1 4.06Å; V54-V69 HydrophobicContact CG1-CG2 4.23Å; V54-V69 WeakPolarHBondContact O-CG1 3.39Å; C57-V69 HydrophobicContact CB-CG2 3.97Å; M58-V69 HydrophobicContact CB-CG1 3.84Å; M58-V69 HydrophobicContact CG-CG1 4.21Å; L65-V69 HydrophobicContact CD1-CG2 4.35Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 3.41Å; K66-V69 PolarHBondContact O-N 3.41Å; V69-Y72 WeakPolarHBondContact O-CB 3.31Å; V69-Y72 PolarHBondContact O-N 3.3Å; V69-L73 HydrophobicContact CG1-CD1 4.18Å; V69-L73 WeakPolarHBondContact O-CG 3.32Å; V69-L73 PolarHBondContact O-N 3.14Å |
| 70 | Y | 86.4 | Confident | 81.7 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.9 | -39.3 | 178 | -74 | 11.7 | 0 | 0 | 0 | 112.4 | M58 K66 K67 L68 Y72 L73 M74 F91 D94 L105 A106 T109 | M58-Y70 HydrophobicContact CG-CD1 4.42Å; M58-Y70 HydrophobicContact CG-CE1 3.73Å; M58-Y70 HydrophobicContact SD-CD1 4.16Å; M58-Y70 HydrophobicContact SD-CE1 3.59Å; M58-Y70 VanDerWaalsContact SD-CE1 3.59Å; K66-Y70 WeakPolarHBondContact O-CB 3.38Å; K66-Y70 WeakPolarHBondContact O-CD1 3.46Å; K66-Y70 VanDerWaalsContact O-CG 3.29Å; K66-Y70 PolarHBondContact O-N 3.34Å; K67-Y70 PolarHBondContact O-N 3.4Å; L68-Y70 VanDerWaalsContact C-N 3.32Å; L68-Y70 PolarHBondContact O-N 3.23Å; Y70-Y72 VanDerWaalsContact C-N 3.31Å; Y70-Y72 PolarHBondContact O-N 2.67Å; Y70-L73 PolarHBondContact O-N 2.99Å; Y70-M74 WeakPolarHBondContact O-CG 3.3Å; Y70-M74 PolarHBondContact O-N 3.28Å; Y70-F91 AromaticContact CD1-CE1 3.66Å; Y70-F91 HydrophobicContact CD1-CE1 3.66Å; Y70-F91 HydrophobicContact CD1-CZ 4.26Å; Y70-F91 HydrophobicContact CD2-CE1 4.12Å; Y70-F91 AromaticContact CE1-CD1 3.95Å; Y70-F91 HydrophobicContact CE1-CD1 3.95Å; Y70-F91 AromaticContact CE1-CE1 3.39Å; Y70-F91 HydrophobicContact CE1-CE1 3.39Å; Y70-F91 HydrophobicContact CE1-CZ 4.29Å; Y70-F91 HydrophobicContact CE2-CD1 4.22Å; Y70-F91 AromaticContact CE2-CE1 3.89Å; Y70-F91 HydrophobicContact CE2-CE1 3.89Å; Y70-F91 HydrophobicContact CG-CE1 4.03Å; Y70-F91 AromaticContact CZ-CD1 3.72Å; Y70-F91 AromaticContact CZ-CE1 3.51Å; Y70-D94 PolarHBondContact OH-OD2 3.38Å; Y70-L105 HydrophobicContact CD2-CD1 4.22Å; Y70-L105 HydrophobicContact CD2-CD2 3.73Å; Y70-L105 HydrophobicContact CD2-CG 3.51Å; Y70-L105 HydrophobicContact CE2-CB 4.33Å; Y70-L105 HydrophobicContact CE2-CD2 3.84Å; Y70-L105 HydrophobicContact CE2-CG 3.65Å; Y70-A106 HydrophobicContact CE2-CB 4.37Å; Y70-T109 HydrophobicContact CD2-CG2 3.99Å; Y70-T109 WeakPolarHBondContact CD2-OG1 3.35Å; Y70-T109 HydrophobicContact CG-CG2 3.97Å |
| 71 | L | 85.5 | Confident | 81.5 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 19% | 0.188 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 172.6 | -179.7 | 61.3 | 0 | 0 | 0 | 111.5 | I38 M41 K67 L68 M74 N75 L631 | I38-L71 HydrophobicContact CD1-CB 4.41Å; I38-L71 HydrophobicContact CD1-CD2 4.29Å; I38-L71 HydrophobicContact CD1-CG 4.31Å; I38-L71 HydrophobicContact CG2-CD2 4.09Å; M41-L71 HydrophobicContact CE-CG 4.4Å; K67-L71 WeakPolarHBondContact O-CB 3.18Å; K67-L71 PolarHBondContact O-N 3.49Å; L68-L71 PolarHBondContact O-N 2.87Å; L71-M74 HydrophobicContact CD1-CE 4.21Å; L71-M74 PolarHBondContact O-N 2.92Å; L71-N75 PolarHBondContact O-N 2.99Å; L71-L631 HydrophobicContact CD1-CD1 4.14Å |
| 72 | Y | 85.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.9 | -47.1 | 174 | 178.2 | -86.4 | 0 | 0 | 0 | 111.6 | V37 M41 V47 F51 V54 L68 V69 Y70 N75 Y76 | V37-Y72 HydrophobicContact CG1-CD2 3.67Å; V37-Y72 HydrophobicContact CG1-CE2 3.61Å; M41-Y72 HydrophobicContact SD-CD2 4.24Å; V47-Y72 HydrophobicContact CB-CE2 4.4Å; V47-Y72 HydrophobicContact CG2-CD2 4.44Å; V47-Y72 HydrophobicContact CG2-CE2 3.71Å; V47-Y72 PolarHBondContact O-OH 2.95Å; F51-Y72 WeakPolarHBondContact CA-OH 3.44Å; F51-Y72 HydrophobicContact CB-CE1 4.2Å; F51-Y72 AromaticContact CD2-CE1 3.72Å; F51-Y72 HydrophobicContact CD2-CE1 3.72Å; F51-Y72 HydrophobicContact CE2-CE1 4.4Å; F51-Y72 HydrophobicContact CG-CE1 4.1Å; F51-Y72 PolarHBondContact N-OH 3.5Å; V54-Y72 HydrophobicContact CB-CD1 3.97Å; V54-Y72 HydrophobicContact CB-CE1 3.97Å; V54-Y72 HydrophobicContact CB-CG 4.43Å; V54-Y72 HydrophobicContact CG1-CD1 3.51Å; V54-Y72 HydrophobicContact CG1-CD2 4.39Å; V54-Y72 HydrophobicContact CG1-CE1 4.04Å; V54-Y72 HydrophobicContact CG1-CG 3.72Å; V54-Y72 HydrophobicContact CG2-CD1 4.39Å; V54-Y72 HydrophobicContact CG2-CD2 4.43Å; V54-Y72 HydrophobicContact CG2-CE1 4.22Å; V54-Y72 HydrophobicContact CG2-CE2 4.21Å; L68-Y72 PolarHBondContact O-N 2.97Å; V69-Y72 WeakPolarHBondContact O-CB 3.31Å; V69-Y72 PolarHBondContact O-N 3.3Å; Y70-Y72 VanDerWaalsContact C-N 3.31Å; Y70-Y72 PolarHBondContact O-N 2.67Å; Y72-N75 PolarHBondContact O-N 3.28Å; Y72-Y76 HydrophobicContact CD1-CD2 4.21Å; Y72-Y76 AromaticContact CD2-CD2 3.82Å; Y72-Y76 HydrophobicContact CD2-CD2 3.82Å; Y72-Y76 AromaticContact CD2-CE2 3.91Å; Y72-Y76 HydrophobicContact CD2-CE2 3.91Å; Y72-Y76 AromaticContact CE1-CD2 3.9Å; Y72-Y76 HydrophobicContact CE1-CD2 3.9Å; Y72-Y76 HydrophobicContact CE1-CG 4.44Å; Y72-Y76 AromaticContact CE2-CD2 3.51Å; Y72-Y76 HydrophobicContact CE2-CD2 3.51Å; Y72-Y76 AromaticContact CE2-CE2 3.49Å; Y72-Y76 HydrophobicContact CE2-CE2 3.49Å; Y72-Y76 VanDerWaalsContact CE2-CE2 3.49Å; Y72-Y76 HydrophobicContact CG-CD2 4.16Å; Y72-Y76 AromaticContact CZ-CD2 3.53Å; Y72-Y76 AromaticContact CZ-CE2 3.9Å; Y72-Y76 PolarHBondContact O-N 2.91Å; Y72-Y76 VanDerWaalsContact O-N 3.09Å |
| 73 | L | 83.9 | Confident | 81.3 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 179.7 | -76 | 174.8 | 0 | 0 | 0 | 111.9 | F51 V55 M58 V69 Y70 N75 Y76 A77 A87 F91 | F51-L73 HydrophobicContact CE1-CD2 3.81Å; F51-L73 HydrophobicContact CE2-CD2 3.84Å; F51-L73 HydrophobicContact CZ-CD2 3.35Å; V55-L73 HydrophobicContact CG2-CD2 3.65Å; M58-L73 HydrophobicContact CE-CD1 4.42Å; M58-L73 HydrophobicContact SD-CD1 3.81Å; V69-L73 HydrophobicContact CG1-CD1 4.18Å; V69-L73 WeakPolarHBondContact O-CG 3.32Å; V69-L73 PolarHBondContact O-N 3.14Å; Y70-L73 PolarHBondContact O-N 2.99Å; L73-N75 PolarHBondContact O-N 3.43Å; L73-Y76 PolarHBondContact O-N 2.9Å; L73-A77 WeakPolarHBondContact O-CA 3.22Å; L73-A77 WeakPolarHBondContact O-CB 3.19Å; L73-A77 PolarHBondContact O-N 2.95Å; L73-A87 HydrophobicContact CD1-CB 4.05Å; L73-F91 HydrophobicContact CD1-CE2 4.14Å; L73-F91 HydrophobicContact CD1-CZ 3.64Å |
| 74 | M | 82 | Confident | 81 | Confident | 40 Ų | 40 | 40.9 Ų | 40.9 | 20% | 0.197 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.1 | -37.6 | 177.8 | -74.1 | -173.9 | -68 | 0 | 0 | 112.3 | Y70 L71 T109 C112 | Y70-M74 WeakPolarHBondContact O-CG 3.3Å; Y70-M74 PolarHBondContact O-N 3.28Å; L71-M74 HydrophobicContact CD1-CE 4.21Å; L71-M74 PolarHBondContact O-N 2.92Å; M74-T109 HydrophobicContact CG-CG2 3.83Å; M74-T109 HydrophobicContact SD-CG2 4.29Å; M74-C112 HydrophobicContact CG-CB 4.18Å; M74-C112 HydrophobicContact SD-CB 3.64Å |
| 75 | N | 82.1 | Confident | 80.6 | Confident | 70 Ų | 70 | 39.7 Ų | 39.7 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -74.7 | -42.1 | -179.9 | -164.8 | 31.2 | 0 | 0 | 0 | 112.7 | M41 L71 Y72 L73 | M41-N75 HydrophobicContact CE-CB 4.24Å; M41-N75 VanDerWaalsContact CG-ND2 3.3Å; M41-N75 WeakPolarHBondContact CG-ND2 3.31Å; M41-N75 HydrophobicContact SD-CB 3.82Å; M41-N75 PolarHBondContact SD-ND2 3.49Å; L71-N75 PolarHBondContact O-N 2.99Å; Y72-N75 PolarHBondContact O-N 3.28Å; L73-N75 PolarHBondContact O-N 3.43Å |
| 76 | Y | 80.6 | Confident | 80.2 | Confident | 23 Ų | 23 | 45.6 Ų | 45.6 | 9% | 0.09 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -93.9 | -15.7 | -174.7 | -75 | -74 | 0 | 0 | 0 | 115.2 | M41 V47 Y72 L73 K78 S79 Q80 | M41-Y76 HydrophobicContact CG-CE2 3.87Å; M41-Y76 HydrophobicContact SD-CD2 4.11Å; M41-Y76 HydrophobicContact SD-CE2 3.57Å; M41-Y76 VanDerWaalsContact SD-CE2 3.57Å; V47-Y76 HydrophobicContact CG2-CE2 3.63Å; V47-Y76 WeakPolarHBondContact CG2-OH 3.44Å; V47-Y76 PolarHBondContact N-OH 3.14Å; Y72-Y76 HydrophobicContact CD1-CD2 4.21Å; Y72-Y76 AromaticContact CD2-CD2 3.82Å; Y72-Y76 HydrophobicContact CD2-CD2 3.82Å; Y72-Y76 AromaticContact CD2-CE2 3.91Å; Y72-Y76 HydrophobicContact CD2-CE2 3.91Å; Y72-Y76 AromaticContact CE1-CD2 3.9Å; Y72-Y76 HydrophobicContact CE1-CD2 3.9Å; Y72-Y76 HydrophobicContact CE1-CG 4.44Å; Y72-Y76 AromaticContact CE2-CD2 3.51Å; Y72-Y76 HydrophobicContact CE2-CD2 3.51Å; Y72-Y76 AromaticContact CE2-CE2 3.49Å; Y72-Y76 HydrophobicContact CE2-CE2 3.49Å; Y72-Y76 VanDerWaalsContact CE2-CE2 3.49Å; Y72-Y76 HydrophobicContact CG-CD2 4.16Å; Y72-Y76 AromaticContact CZ-CD2 3.53Å; Y72-Y76 AromaticContact CZ-CE2 3.9Å; Y72-Y76 PolarHBondContact O-N 2.91Å; Y72-Y76 VanDerWaalsContact O-N 3.09Å; L73-Y76 PolarHBondContact O-N 2.9Å; Y76-K78 VanDerWaalsContact C-N 3.27Å; Y76-K78 PolarHBondContact O-N 3.36Å; Y76-S79 PolarHBondContact O-N 3.21Å; Y76-S79 PolarHBondContact O-OG 2.99Å; Y76-Q80 PolarHBondContact O-N 2.83Å |
| 77 | A | 76.2 | Confident | 79.9 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -36.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L73 S79 Q80 P81 A84 I113 | L73-A77 WeakPolarHBondContact O-CA 3.22Å; L73-A77 WeakPolarHBondContact O-CB 3.19Å; L73-A77 PolarHBondContact O-N 2.95Å; A77-S79 VanDerWaalsContact C-N 3.3Å; A77-S79 PolarHBondContact O-N 3.41Å; A77-Q80 CarbonylContact O-C 3.39Å; A77-Q80 PolarHBondContact O-N 3.04Å; A77-P81 WeakPolarHBondContact O-CA 3.4Å; A77-A84 HydrophobicContact CB-CB 3.9Å; A77-I113 HydrophobicContact CB-CG1 4.2Å; A77-I113 HydrophobicContact CB-CG2 3.71Å |
| 78 | K | 76.5 | Confident | 79.7 | Confident | 150 Ų | 150 | 41.6 Ų | 41.6 | 65% | 0.652 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -33.4 | 176.7 | -164.3 | 177.3 | -176.6 | 179.1 | 0 | 112.5 | Y76 | Y76-K78 VanDerWaalsContact C-N 3.27Å; Y76-K78 PolarHBondContact O-N 3.36Å |
| 79 | S | 78.4 | Confident | 79.6 | Confident | 76 Ų | 76 | 46.1 Ų | 46.1 | 53% | 0.531 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -25 | 179 | 68.1 | 0 | 0 | 0 | 0 | 113.8 | Y76 A77 | Y76-S79 PolarHBondContact O-N 3.21Å; Y76-S79 PolarHBondContact O-OG 2.99Å; A77-S79 VanDerWaalsContact C-N 3.3Å; A77-S79 PolarHBondContact O-N 3.41Å |
| 80 | Q | 77.1 | Confident | 79.5 | Confident | 56 Ų | 56 | 47.1 Ų | 47.1 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | trans | -134.3 | 68.1 | -178.3 | -65.2 | -171.5 | -15 | 0 | 0 | 111 | F51 Y76 A77 D82 M83 A84 | F51-Q80 VanDerWaalsContact CB-OE1 3.32Å; F51-Q80 HydrophobicContact CE2-CB 4.46Å; Y76-Q80 PolarHBondContact O-N 2.83Å; A77-Q80 CarbonylContact O-C 3.39Å; A77-Q80 PolarHBondContact O-N 3.04Å; Q80-D82 VanDerWaalsContact C-N 3.35Å; Q80-D82 PolarHBondContact O-N 3.37Å; Q80-M83 HydrophobicContact CB-CB 4.16Å; Q80-M83 HydrophobicContact CB-CG 4.32Å; Q80-M83 PolarHBondContact O-N 3.1Å; Q80-A84 PolarHBondContact O-N 3.47Å; Q80-A84 VanDerWaalsContact O-N 3.12Å | ||
| 81 | P | 73.8 | Confident | 79.5 | Confident | 42 Ų | 42 | 47.1 Ų | 47.1 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.5 | -39 | -174.1 | 24.4 | -34.2 | 0 | 0 | 0 | 112.6 | A77 M83 A84 I85 V115 | A77-P81 WeakPolarHBondContact O-CA 3.4Å; P81-M83 VanDerWaalsContact C-N 3.29Å; P81-M83 PolarHBondContact O-N 2.93Å; P81-A84 WeakPolarHBondContact O-CB 3.28Å; P81-A84 PolarHBondContact O-N 3.18Å; P81-A84 VanDerWaalsContact O-N 3.16Å; P81-I85 WeakPolarHBondContact O-CG1 3.25Å; P81-I85 PolarHBondContact O-N 2.93Å; P81-V115 HydrophobicContact CB-CG1 3.77Å |
| 82 | D | 78.1 | Confident | 79.6 | Confident | 103 Ų | 103 | 47.7 Ų | 47.7 | 55% | 0.551 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -66.9 | -31.8 | -178.5 | -58.6 | -46.9 | 0 | 0 | 0 | 112.3 | Q80 K117 | Q80-D82 VanDerWaalsContact C-N 3.35Å; Q80-D82 PolarHBondContact O-N 3.37Å; D82-K117 IonicContact OD1-NZ 2.78Å; D82-K117 PolarHBondContact OD1-NZ 3.37Å |
| 83 | M | 72.7 | Confident | 79.7 | Confident | 58 Ų | 58 | 55 Ų | 55 | 29% | 0.286 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -75.3 | -33 | 174.2 | -64.9 | -69.2 | -74.3 | 0 | 0 | 111.7 | F51 P52 Q80 P81 I85 M86 | F51-M83 HydrophobicContact CD1-CB 3.61Å; F51-M83 HydrophobicContact CD1-CE 4.1Å; F51-M83 HydrophobicContact CD1-CG 4.41Å; F51-M83 HydrophobicContact CE1-CB 3.4Å; F51-M83 VanDerWaalsContact CE1-CB 3.4Å; F51-M83 HydrophobicContact CG-CB 4.38Å; F51-M83 HydrophobicContact CZ-CB 4.02Å; P52-M83 HydrophobicContact CB-CE 3.89Å; P52-M83 HydrophobicContact CG-CE 3.54Å; Q80-M83 HydrophobicContact CB-CB 4.16Å; Q80-M83 HydrophobicContact CB-CG 4.32Å; Q80-M83 PolarHBondContact O-N 3.1Å; P81-M83 VanDerWaalsContact C-N 3.29Å; P81-M83 PolarHBondContact O-N 2.93Å; M83-I85 PolarHBondContact O-N 3.06Å; M83-M86 WeakPolarHBondContact O-CB 3.33Å; M83-M86 PolarHBondContact O-N 3.24Å; M83-M86 VanDerWaalsContact O-N 3.14Å; M83-M86 HydrophobicContact SD-SD 4.4Å |
| 84 | A | 74.5 | Confident | 80 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 2% | 0.017 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -29.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F51 A77 Q80 P81 M86 A87 V88 I118 | F51-A84 HydrophobicContact CZ-CB 4.38Å; A77-A84 HydrophobicContact CB-CB 3.9Å; Q80-A84 PolarHBondContact O-N 3.47Å; Q80-A84 VanDerWaalsContact O-N 3.12Å; P81-A84 WeakPolarHBondContact O-CB 3.28Å; P81-A84 PolarHBondContact O-N 3.18Å; P81-A84 VanDerWaalsContact O-N 3.16Å; A84-M86 PolarHBondContact O-N 2.58Å; A84-A87 WeakPolarHBondContact O-CB 3.5Å; A84-A87 PolarHBondContact O-N 3.29Å; A84-V88 PolarHBondContact O-N 3.36Å; A84-I118 HydrophobicContact CB-CD1 3.63Å |
| 85 | I | 75.1 | Confident | 80.4 | Confident | 54 Ų | 54 | 54 Ų | 54 | 28% | 0.277 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.2 | -36.8 | 173.4 | -62.2 | 170 | 0 | 0 | 0 | 111.2 | P81 M83 A87 V88 K117 | P81-I85 WeakPolarHBondContact O-CG1 3.25Å; P81-I85 PolarHBondContact O-N 2.93Å; M83-I85 PolarHBondContact O-N 3.06Å; I85-A87 PolarHBondContact O-N 3.31Å; I85-V88 VanDerWaalsContact O-CB 3.26Å; I85-V88 WeakPolarHBondContact O-CB 3.36Å; I85-V88 WeakPolarHBondContact O-CG2 3.45Å; I85-V88 PolarHBondContact O-N 2.95Å; I85-V88 VanDerWaalsContact O-N 3.13Å; I85-K117 HydrophobicContact CD1-CB 4.36Å; I85-K117 HydrophobicContact CD1-CD 3.9Å |
| 86 | M | 74.3 | Confident | 80.8 | Confident | 125 Ų | 125 | 56.1 Ų | 56.1 | 62% | 0.616 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.2 | -27.6 | 177.3 | -62.8 | -176.1 | 64.2 | 0 | 0 | 112.7 | M83 A84 | M83-M86 WeakPolarHBondContact O-CB 3.33Å; M83-M86 PolarHBondContact O-N 3.24Å; M83-M86 VanDerWaalsContact O-N 3.14Å; M83-M86 HydrophobicContact SD-SD 4.4Å; A84-M86 PolarHBondContact O-N 2.58Å |
| 87 | A | 79.2 | Confident | 81.3 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -77.1 | -23.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M58 L73 A84 I85 N89 S90 F91 | M58-A87 HydrophobicContact CE-CB 3.69Å; M58-A87 HydrophobicContact SD-CB 4.48Å; L73-A87 HydrophobicContact CD1-CB 4.05Å; A84-A87 WeakPolarHBondContact O-CB 3.5Å; A84-A87 PolarHBondContact O-N 3.29Å; I85-A87 PolarHBondContact O-N 3.31Å; A87-N89 VanDerWaalsContact C-N 3.32Å; A87-N89 PolarHBondContact O-N 3.26Å; A87-S90 WeakPolarHBondContact O-CB 3.26Å; A87-S90 PolarHBondContact O-N 3.47Å; A87-F91 HydrophobicContact CB-CD2 4.14Å; A87-F91 HydrophobicContact CB-CE2 3.73Å; A87-F91 VanDerWaalsContact O-CD2 3.28Å; A87-F91 WeakPolarHBondContact O-CD2 3.47Å; A87-F91 PolarHBondContact O-N 2.96Å |
| 88 | V | 81.6 | Confident | 82 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -53.3 | -46.6 | -178.9 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | A84 I85 S90 F91 V92 M110 I118 Y121 | A84-V88 PolarHBondContact O-N 3.36Å; I85-V88 VanDerWaalsContact O-CB 3.26Å; I85-V88 WeakPolarHBondContact O-CB 3.36Å; I85-V88 WeakPolarHBondContact O-CG2 3.45Å; I85-V88 PolarHBondContact O-N 2.95Å; I85-V88 VanDerWaalsContact O-N 3.13Å; V88-S90 PolarHBondContact O-N 3.31Å; V88-F91 PolarHBondContact O-N 3.04Å; V88-F91 VanDerWaalsContact O-N 3.1Å; V88-V92 HydrophobicContact CG1-CG2 4.16Å; V88-V92 WeakPolarHBondContact O-CG2 3.47Å; V88-V92 PolarHBondContact O-N 2.94Å; V88-M110 HydrophobicContact CG1-CE 4.44Å; V88-I118 HydrophobicContact CG2-CB 4.49Å; V88-I118 HydrophobicContact CG2-CD1 4.21Å; V88-I118 HydrophobicContact CG2-CG1 3.92Å; V88-I118 HydrophobicContact CG2-CG2 4.02Å; V88-Y121 VanDerWaalsContact CG1-CB 3.43Å; V88-Y121 HydrophobicContact CG1-CD1 4.03Å; V88-Y121 HydrophobicContact CG1-CD2 4.22Å; V88-Y121 HydrophobicContact CG1-CG 3.65Å |
| 89 | N | 81.7 | Confident | 82.6 | Confident | 125 Ų | 125 | 57.7 Ų | 57.7 | 67% | 0.668 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.5 | -33.2 | 179.4 | -72.9 | -31 | 0 | 0 | 0 | 112.9 | A87 K93 | A87-N89 VanDerWaalsContact C-N 3.32Å; A87-N89 PolarHBondContact O-N 3.26Å; N89-K93 PolarHBondContact O-N 2.91Å |
| 90 | S | 84.3 | Confident | 83.2 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -77.4 | -39.1 | 176.8 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | M58 A87 V88 K93 D94 | M58-S90 WeakPolarHBondContact CE-OG 3.47Å; A87-S90 WeakPolarHBondContact O-CB 3.26Å; A87-S90 PolarHBondContact O-N 3.47Å; V88-S90 PolarHBondContact O-N 3.31Å; S90-K93 PolarHBondContact O-N 2.99Å; S90-D94 WeakPolarHBondContact O-CB 3.29Å; S90-D94 PolarHBondContact O-N 2.67Å |
| 91 | F | 87.1 | Confident | 83.8 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 174 | -69.7 | -60.3 | 0 | 0 | 0 | 112.2 | M58 Y70 L73 A87 V88 K93 D94 C95 A106 T109 M110 I113 | M58-F91 HydrophobicContact SD-CE1 4.26Å; M58-F91 HydrophobicContact SD-CZ 4.31Å; Y70-F91 AromaticContact CD1-CE1 3.66Å; Y70-F91 HydrophobicContact CD1-CE1 3.66Å; Y70-F91 HydrophobicContact CD1-CZ 4.26Å; Y70-F91 HydrophobicContact CD2-CE1 4.12Å; Y70-F91 AromaticContact CE1-CD1 3.95Å; Y70-F91 HydrophobicContact CE1-CD1 3.95Å; Y70-F91 AromaticContact CE1-CE1 3.39Å; Y70-F91 HydrophobicContact CE1-CE1 3.39Å; Y70-F91 HydrophobicContact CE1-CZ 4.29Å; Y70-F91 HydrophobicContact CE2-CD1 4.22Å; Y70-F91 AromaticContact CE2-CE1 3.89Å; Y70-F91 HydrophobicContact CE2-CE1 3.89Å; Y70-F91 HydrophobicContact CG-CE1 4.03Å; Y70-F91 AromaticContact CZ-CD1 3.72Å; Y70-F91 AromaticContact CZ-CE1 3.51Å; L73-F91 HydrophobicContact CD1-CE2 4.14Å; L73-F91 HydrophobicContact CD1-CZ 3.64Å; A87-F91 HydrophobicContact CB-CD2 4.14Å; A87-F91 HydrophobicContact CB-CE2 3.73Å; A87-F91 VanDerWaalsContact O-CD2 3.28Å; A87-F91 WeakPolarHBondContact O-CD2 3.47Å; A87-F91 PolarHBondContact O-N 2.96Å; V88-F91 PolarHBondContact O-N 3.04Å; V88-F91 VanDerWaalsContact O-N 3.1Å; F91-K93 VanDerWaalsContact C-N 3.28Å; F91-K93 PolarHBondContact O-N 2.97Å; F91-D94 CarbonylContact O-C 3.59Å; F91-D94 PolarHBondContact O-N 2.68Å; F91-D94 VanDerWaalsContact O-N 3.12Å; F91-C95 PolarHBondContact O-N 3.06Å; F91-C95 PolarHBondContact O-SG 3.32Å; F91-A106 HydrophobicContact CD1-CB 4.43Å; F91-T109 HydrophobicContact CE1-CG2 3.62Å; F91-T109 HydrophobicContact CZ-CG2 3.68Å; F91-M110 HydrophobicContact CB-CE 4.42Å; F91-M110 HydrophobicContact CB-CG 3.57Å; F91-M110 HydrophobicContact CB-SD 3.48Å; F91-M110 WeakPolarHBondContact CB-SD 3.29Å; F91-M110 HydrophobicContact CD1-CG 4.22Å; F91-M110 HydrophobicContact CD2-CG 4.02Å; F91-M110 HydrophobicContact CG-CG 3.71Å; F91-M110 HydrophobicContact CG-SD 4.31Å; F91-I113 HydrophobicContact CD2-CD1 4.46Å; F91-I113 HydrophobicContact CE2-CD1 3.55Å; F91-I113 HydrophobicContact CZ-CD1 3.75Å |
| 92 | V | 87.5 | Confident | 84.5 | Confident | 47 Ų | 47 | 54.1 Ų | 54.1 | 29% | 0.285 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 177 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | V88 C95 P125 | V88-V92 HydrophobicContact CG1-CG2 4.16Å; V88-V92 WeakPolarHBondContact O-CG2 3.47Å; V88-V92 PolarHBondContact O-N 2.94Å; V92-C95 WeakPolarHBondContact O-CB 3.27Å; V92-C95 PolarHBondContact O-N 2.85Å; V92-P125 HydrophobicContact CG1-CG 4.41Å; V92-P125 HydrophobicContact CG2-CG 3.97Å |
| 93 | K | 88 | Confident | 85.2 | Confident | 154 Ų | 154 | 50.8 Ų | 50.8 | 67% | 0.67 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.2 | -43.5 | 174.3 | -175.6 | -175.6 | 176.4 | -172.9 | 0 | 112.2 | N89 S90 F91 C95 E96 D97 | N89-K93 PolarHBondContact O-N 2.91Å; S90-K93 PolarHBondContact O-N 2.99Å; F91-K93 VanDerWaalsContact C-N 3.28Å; F91-K93 PolarHBondContact O-N 2.97Å; K93-C95 VanDerWaalsContact C-N 3.28Å; K93-C95 PolarHBondContact O-N 3.48Å; K93-E96 CarbonylContact O-C 3.59Å; K93-E96 PolarHBondContact O-N 2.6Å; K93-D97 PolarHBondContact O-N 3.39Å |
| 94 | D | 89.5 | Confident | 86.1 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 6% | 0.059 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70 | -25.6 | -179.6 | -72.5 | -24.6 | 0 | 0 | 0 | 112.2 | K66 Y70 S90 F91 E96 D97 I102 R103 A106 | K66-D94 IonicContact NZ-OD1 3.24Å; K66-D94 PolarHBondContact NZ-OD1 3.4Å; K66-D94 IonicContact NZ-OD2 2.66Å; K66-D94 PolarHBondContact NZ-OD2 2.8Å; Y70-D94 PolarHBondContact OH-OD2 3.38Å; S90-D94 WeakPolarHBondContact O-CB 3.29Å; S90-D94 PolarHBondContact O-N 2.67Å; F91-D94 CarbonylContact O-C 3.59Å; F91-D94 PolarHBondContact O-N 2.68Å; F91-D94 VanDerWaalsContact O-N 3.12Å; D94-E96 PolarHBondContact O-N 2.98Å; D94-D97 VanDerWaalsContact O-CB 3.27Å; D94-D97 WeakPolarHBondContact O-CB 3.38Å; D94-D97 PolarHBondContact O-N 2.79Å; D94-I102 HydrophobicContact CB-CG2 3.86Å; D94-R103 WeakPolarHBondContact O-CA 3.47Å; D94-A106 HydrophobicContact CB-CB 3.81Å |
| 95 | C | 90.3 | Very high | 86.8 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.6 | 168.7 | -72.2 | 0 | 0 | 0 | 0 | 113.2 | F91 V92 K93 R103 A106 P125 | F91-C95 PolarHBondContact O-N 3.06Å; F91-C95 PolarHBondContact O-SG 3.32Å; V92-C95 WeakPolarHBondContact O-CB 3.27Å; V92-C95 PolarHBondContact O-N 2.85Å; K93-C95 VanDerWaalsContact C-N 3.28Å; K93-C95 PolarHBondContact O-N 3.48Å; C95-R103 WeakPolarHBondContact O-CD 3.46Å; C95-R103 WeakPolarHBondContact O-CG 3.22Å; C95-A106 VanDerWaalsContact SG-CB 3.58Å; C95-P125 HydrophobicContact CB-CB 3.99Å |
| 96 | E | 90.8 | Very high | 87.5 | Confident | 116 Ų | 116 | 47 Ų | 47 | 54% | 0.542 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 10.5 | 175.7 | -60.5 | -175.6 | 168.8 | 0 | 0 | 112.2 | K93 D94 K128 | K93-E96 CarbonylContact O-C 3.59Å; K93-E96 PolarHBondContact O-N 2.6Å; D94-E96 PolarHBondContact O-N 2.98Å; E96-K128 IonicContact OE1-NZ 2.62Å; E96-K128 PolarHBondContact OE1-NZ 3.39Å |
| 97 | D | 91.1 | Very high | 88.3 | Confident | 32 Ų | 32 | 41 Ų | 41 | 17% | 0.171 | 22% | 0.218 | C | C | . | . | trans | -64.7 | 145.1 | -179.4 | -168.1 | -87.4 | 0 | 0 | 0 | 111.6 | K93 D94 N99 I102 R103 | K93-D97 PolarHBondContact O-N 3.39Å; D94-D97 VanDerWaalsContact O-CB 3.27Å; D94-D97 WeakPolarHBondContact O-CB 3.38Å; D94-D97 PolarHBondContact O-N 2.79Å; D97-N99 PolarHBondContact O-N 3.24Å; D97-N99 VanDerWaalsContact O-N 3.17Å; D97-N99 VanDerWaalsContact OD1-CB 3.23Å; D97-N99 WeakPolarHBondContact OD1-CB 3.27Å; D97-N99 PolarHBondContact OD1-N 2.7Å; D97-I102 HydrophobicContact CB-CB 4.06Å; D97-I102 HydrophobicContact CB-CG2 3.75Å; D97-R103 HydrophobicContact CB-CG 4.35Å; D97-R103 WeakPolarHBondContact O-CD 3.32Å; D97-R103 WeakPolarHBondContact O-CG 3.39Å; D97-R103 PolarHBondContact O-NH1 3.48Å | ||
| 98 | P | 89.7 | Confident | 88.8 | Confident | 117 Ų | 117 | 43.6 Ų | 43.6 | 76% | 0.76 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -56.7 | -30.3 | 175.4 | -26.8 | 35.5 | 0 | 0 | 0 | 114 | P100 R103 | P98-P100 WeakPolarHBondContact O-CD 3.44Å; P98-R103 PolarHBondContact O-NH1 3.41Å |
| 99 | N | 89.8 | Confident | 89.1 | Confident | 57 Ų | 57 | 43.5 Ų | 43.5 | 31% | 0.305 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -82.6 | 115.9 | -179.6 | -173.5 | -15.4 | 0 | 0 | 0 | 111.5 | D97 L101 I102 R103 | D97-N99 PolarHBondContact O-N 3.24Å; D97-N99 VanDerWaalsContact O-N 3.17Å; D97-N99 VanDerWaalsContact OD1-CB 3.23Å; D97-N99 WeakPolarHBondContact OD1-CB 3.27Å; D97-N99 PolarHBondContact OD1-N 2.7Å; N99-L101 PolarHBondContact O-N 2.93Å; N99-L101 VanDerWaalsContact O-N 3.16Å; N99-L101 WeakPolarHBondContact OD1-CB 3.36Å; N99-L101 PolarHBondContact OD1-N 3.06Å; N99-I102 HydrophobicContact CB-CB 4.27Å; N99-I102 HydrophobicContact CB-CD1 3.99Å; N99-I102 HydrophobicContact CB-CG1 4.02Å; N99-I102 PolarHBondContact O-N 3.49Å; N99-R103 PolarHBondContact O-N 3.31Å; N99-R103 VanDerWaalsContact O-N 3.17Å |
| 100 | P | 91.2 | Very high | 89.4 | Confident | 34 Ų | 34 | 37.7 Ų | 37.7 | 22% | 0.221 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -30.3 | -179.5 | 23.5 | -33.4 | 0 | 0 | 0 | 113.3 | P98 I102 R103 A104 D134 V137 | P98-P100 WeakPolarHBondContact O-CD 3.44Å; P100-I102 VanDerWaalsContact C-N 3.3Å; P100-I102 PolarHBondContact O-N 2.99Å; P100-R103 PolarHBondContact O-N 3.09Å; P100-A104 VanDerWaalsContact O-CB 3.31Å; P100-A104 WeakPolarHBondContact O-CB 3.41Å; P100-A104 PolarHBondContact O-N 2.93Å; P100-D134 HydrophobicContact CB-CB 3.76Å; P100-D134 VanDerWaalsContact CB-CG 3.49Å; P100-V137 HydrophobicContact CB-CG2 3.77Å; P100-V137 WeakPolarHBondContact O-CG2 3.37Å |
| 101 | L | 89.7 | Confident | 89.4 | Confident | 62 Ų | 62 | 36.8 Ų | 36.8 | 33% | 0.325 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.3 | -34.3 | 176.9 | -61.9 | 178.6 | 0 | 0 | 0 | 112.1 | L63 N99 L105 Y136 | L63-L101 HydrophobicContact CD1-CB 4.26Å; L63-L101 HydrophobicContact CD2-CB 4.28Å; L63-L101 HydrophobicContact CD2-CD1 3.92Å; N99-L101 PolarHBondContact O-N 2.93Å; N99-L101 VanDerWaalsContact O-N 3.16Å; N99-L101 WeakPolarHBondContact OD1-CB 3.36Å; N99-L101 PolarHBondContact OD1-N 3.06Å; L101-L105 WeakPolarHBondContact O-CB 3.35Å; L101-L105 PolarHBondContact O-N 3.15Å; L101-Y136 HydrophobicContact CD2-CD1 4.09Å; L101-Y136 HydrophobicContact CD2-CE1 3.9Å |
| 102 | I | 88.7 | Confident | 89.3 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.8 | -44.8 | 177 | -64.7 | 179.8 | 0 | 0 | 0 | 109.4 | L63 K66 D94 D97 N99 P100 A104 L105 A106 | L63-I102 HydrophobicContact CD1-CG1 3.77Å; K66-I102 HydrophobicContact CD-CD1 4.29Å; K66-I102 HydrophobicContact CD-CG1 4.38Å; K66-I102 HydrophobicContact CD-CG2 3.99Å; D94-I102 HydrophobicContact CB-CG2 3.86Å; D97-I102 HydrophobicContact CB-CB 4.06Å; D97-I102 HydrophobicContact CB-CG2 3.75Å; N99-I102 HydrophobicContact CB-CB 4.27Å; N99-I102 HydrophobicContact CB-CD1 3.99Å; N99-I102 HydrophobicContact CB-CG1 4.02Å; N99-I102 PolarHBondContact O-N 3.49Å; P100-I102 VanDerWaalsContact C-N 3.3Å; P100-I102 PolarHBondContact O-N 2.99Å; I102-A104 PolarHBondContact O-N 3.24Å; I102-L105 PolarHBondContact O-N 3.04Å; I102-A106 WeakPolarHBondContact O-CB 3.42Å; I102-A106 PolarHBondContact O-N 2.89Å |
| 103 | R | 93.2 | Very high | 88.8 | Confident | 33 Ų | 33 | 36 Ų | 36 | 13% | 0.125 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.2 | -52.4 | 175.5 | -60.5 | -161.6 | -63.3 | -83 | 5.7 | 112.1 | D94 C95 D97 P98 N99 P100 L105 A106 V107 D132 V137 | D94-R103 WeakPolarHBondContact O-CA 3.47Å; C95-R103 WeakPolarHBondContact O-CD 3.46Å; C95-R103 WeakPolarHBondContact O-CG 3.22Å; D97-R103 HydrophobicContact CB-CG 4.35Å; D97-R103 WeakPolarHBondContact O-CD 3.32Å; D97-R103 WeakPolarHBondContact O-CG 3.39Å; D97-R103 PolarHBondContact O-NH1 3.48Å; P98-R103 PolarHBondContact O-NH1 3.41Å; N99-R103 PolarHBondContact O-N 3.31Å; N99-R103 VanDerWaalsContact O-N 3.17Å; P100-R103 PolarHBondContact O-N 3.09Å; R103-L105 PolarHBondContact O-N 3.2Å; R103-A106 PolarHBondContact O-N 3.38Å; R103-V107 PolarHBondContact O-N 3.12Å; R103-D132 IonicContact CZ-OD1 2.7Å; R103-D132 IonicContact CZ-OD2 3.41Å; R103-D132 IonicContact NE-OD1 3.79Å; R103-D132 IonicContact NE-OD2 3.67Å; R103-D132 PolarHBondContact NE-OD2 3.41Å; R103-D132 IonicContact NH2-OD1 2.8Å; R103-D132 PolarHBondContact NH2-OD1 3.05Å; R103-D132 IonicContact NH2-OD2 3.69Å; R103-D132 PolarHBondContact NH2-OD2 2.89Å; R103-V137 HydrophobicContact CB-CG1 4.36Å; R103-V137 HydrophobicContact CB-CG2 4.11Å |
| 104 | A | 91.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P100 I102 A106 V107 R108 Y136 V137 T140 | P100-A104 VanDerWaalsContact O-CB 3.31Å; P100-A104 WeakPolarHBondContact O-CB 3.41Å; P100-A104 PolarHBondContact O-N 2.93Å; I102-A104 PolarHBondContact O-N 3.24Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 3.06Å; A104-V107 WeakPolarHBondContact O-CG1 3.29Å; A104-R108 VanDerWaalsContact O-CB 3.23Å; A104-R108 WeakPolarHBondContact O-CB 3.18Å; A104-R108 PolarHBondContact O-N 2.89Å; A104-R108 VanDerWaalsContact O-N 3.07Å; A104-Y136 HydrophobicContact CB-CD1 3.55Å; A104-Y136 HydrophobicContact CB-CE1 3.51Å; A104-V137 HydrophobicContact CB-CG2 4.18Å; A104-T140 HydrophobicContact CB-CG2 4.19Å; A104-T140 WeakPolarHBondContact O-CG2 3.19Å |
| 105 | L | 88.8 | Confident | 87.6 | Confident | 32 Ų | 32 | 36.1 Ų | 36.1 | 17% | 0.168 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.1 | -39 | 178.7 | -177.2 | 68.4 | 0 | 0 | 0 | 111.5 | L63 K67 Y70 L101 I102 R103 T109 | L63-L105 HydrophobicContact CD1-CD2 4.25Å; K67-L105 HydrophobicContact CB-CD2 4.5Å; K67-L105 HydrophobicContact CG-CD1 4.38Å; K67-L105 HydrophobicContact CG-CD2 3.62Å; Y70-L105 HydrophobicContact CD2-CD1 4.22Å; Y70-L105 HydrophobicContact CD2-CD2 3.73Å; Y70-L105 HydrophobicContact CD2-CG 3.51Å; Y70-L105 HydrophobicContact CE2-CB 4.33Å; Y70-L105 HydrophobicContact CE2-CD2 3.84Å; Y70-L105 HydrophobicContact CE2-CG 3.65Å; L101-L105 WeakPolarHBondContact O-CB 3.35Å; L101-L105 PolarHBondContact O-N 3.15Å; I102-L105 PolarHBondContact O-N 3.04Å; R103-L105 PolarHBondContact O-N 3.2Å; L105-T109 VanDerWaalsContact O-CB 3.29Å; L105-T109 WeakPolarHBondContact O-CB 3.39Å; L105-T109 PolarHBondContact O-N 3.47Å; L105-T109 PolarHBondContact O-OG1 3.08Å |
| 106 | A | 89.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.2 | -53.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y70 F91 D94 C95 I102 R103 A104 R108 T109 M110 | Y70-A106 HydrophobicContact CE2-CB 4.37Å; F91-A106 HydrophobicContact CD1-CB 4.43Å; D94-A106 HydrophobicContact CB-CB 3.81Å; C95-A106 VanDerWaalsContact SG-CB 3.58Å; I102-A106 WeakPolarHBondContact O-CB 3.42Å; I102-A106 PolarHBondContact O-N 2.89Å; R103-A106 PolarHBondContact O-N 3.38Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 3.06Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 3.01Å; A106-T109 PolarHBondContact O-N 3.44Å; A106-T109 VanDerWaalsContact O-N 3.16Å; A106-M110 WeakPolarHBondContact O-CG 3.46Å; A106-M110 PolarHBondContact O-N 2.72Å |
| 107 | V | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -39.7 | 179.8 | 69.1 | 0 | 0 | 0 | 0 | 112 | R103 A104 G111 L122 L126 C129 T140 C144 | R103-V107 PolarHBondContact O-N 3.12Å; A104-V107 WeakPolarHBondContact O-CG1 3.29Å; V107-G111 PolarHBondContact O-N 3.16Å; V107-L122 HydrophobicContact CG2-CD1 3.99Å; V107-L126 HydrophobicContact CG2-CB 4.44Å; V107-L126 HydrophobicContact CG2-CD1 3.81Å; V107-C129 HydrophobicContact CG1-CB 4.42Å; V107-C129 HydrophobicContact CG2-CB 4.28Å; V107-T140 HydrophobicContact CG1-CG2 4.18Å; V107-C144 HydrophobicContact CG2-CB 4.42Å; V107-C144 PolarHBondContact O-SG 2.93Å |
| 108 | R | 89.5 | Confident | 85.2 | Confident | 55 Ų | 55 | 39.8 Ų | 39.8 | 21% | 0.208 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -45.7 | 175.3 | 179.7 | 177.4 | 166.2 | 172.9 | -1 | 112 | A104 A106 G111 C112 T140 D630 | A104-R108 VanDerWaalsContact O-CB 3.23Å; A104-R108 WeakPolarHBondContact O-CB 3.18Å; A104-R108 PolarHBondContact O-N 2.89Å; A104-R108 VanDerWaalsContact O-N 3.07Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 3.01Å; R108-G111 PolarHBondContact O-N 3.33Å; R108-C112 PolarHBondContact O-N 3.14Å; R108-C112 PolarHBondContact O-SG 3.02Å; R108-C112 VanDerWaalsContact O-SG 3.35Å; R108-T140 HydrophobicContact CB-CG2 3.66Å; R108-T140 HydrophobicContact CG-CG2 4.38Å; R108-D630 PolarHBondContact NH2-O 2.96Å |
| 109 | T | 87.1 | Confident | 84.8 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | -178.2 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | Y70 M74 F91 L105 A106 G111 C112 I113 | Y70-T109 HydrophobicContact CD2-CG2 3.99Å; Y70-T109 WeakPolarHBondContact CD2-OG1 3.35Å; Y70-T109 HydrophobicContact CG-CG2 3.97Å; M74-T109 HydrophobicContact CG-CG2 3.83Å; M74-T109 HydrophobicContact SD-CG2 4.29Å; F91-T109 HydrophobicContact CE1-CG2 3.62Å; F91-T109 HydrophobicContact CZ-CG2 3.68Å; L105-T109 VanDerWaalsContact O-CB 3.29Å; L105-T109 WeakPolarHBondContact O-CB 3.39Å; L105-T109 PolarHBondContact O-N 3.47Å; L105-T109 PolarHBondContact O-OG1 3.08Å; A106-T109 PolarHBondContact O-N 3.44Å; A106-T109 VanDerWaalsContact O-N 3.16Å; T109-G111 VanDerWaalsContact C-N 3.33Å; T109-G111 PolarHBondContact O-N 3.47Å; T109-C112 PolarHBondContact O-N 2.87Å; T109-C112 VanDerWaalsContact O-N 3.13Å; T109-I113 HydrophobicContact CG2-CD1 4.13Å; T109-I113 VanDerWaalsContact O-CG1 3.29Å; T109-I113 WeakPolarHBondContact O-CG1 3.24Å; T109-I113 PolarHBondContact O-N 2.83Å |
| 110 | M | 87.4 | Confident | 84.4 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 173.3 | -69.7 | -176.5 | 77.2 | 0 | 0 | 112 | V88 F91 A106 C112 I113 L122 | V88-M110 HydrophobicContact CG1-CE 4.44Å; F91-M110 HydrophobicContact CB-CE 4.42Å; F91-M110 HydrophobicContact CB-CG 3.57Å; F91-M110 HydrophobicContact CB-SD 3.48Å; F91-M110 WeakPolarHBondContact CB-SD 3.29Å; F91-M110 HydrophobicContact CD1-CG 4.22Å; F91-M110 HydrophobicContact CD2-CG 4.02Å; F91-M110 HydrophobicContact CG-CG 3.71Å; F91-M110 HydrophobicContact CG-SD 4.31Å; A106-M110 WeakPolarHBondContact O-CG 3.46Å; A106-M110 PolarHBondContact O-N 2.72Å; M110-C112 VanDerWaalsContact C-N 3.29Å; M110-C112 PolarHBondContact O-N 3.41Å; M110-I113 PolarHBondContact O-N 3.23Å; M110-L122 HydrophobicContact CB-CD1 3.62Å; M110-L122 HydrophobicContact CB-CD2 4.37Å; M110-L122 HydrophobicContact CB-CG 4.42Å; M110-L122 HydrophobicContact CE-CB 4.09Å; M110-L122 HydrophobicContact CE-CD1 4.27Å; M110-L122 HydrophobicContact CG-CD1 4.48Å; M110-L122 HydrophobicContact SD-CD1 4.09Å |
| 111 | G | 84.8 | Confident | 84.1 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.5 | -27.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V107 R108 T109 C144 | V107-G111 PolarHBondContact O-N 3.16Å; R108-G111 PolarHBondContact O-N 3.33Å; T109-G111 VanDerWaalsContact C-N 3.33Å; T109-G111 PolarHBondContact O-N 3.47Å; G111-C144 VanDerWaalsContact CA-SG 3.58Å |
| 112 | C | 84.2 | Confident | 84.1 | Confident | 26 Ų | 26 | 39.6 Ų | 39.6 | 18% | 0.176 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -80.9 | -19.6 | 174.3 | -68.2 | 0 | 0 | 0 | 0 | 113.3 | M74 R108 T109 M110 R114 K147 | M74-C112 HydrophobicContact CG-CB 4.18Å; M74-C112 HydrophobicContact SD-CB 3.64Å; R108-C112 PolarHBondContact O-N 3.14Å; R108-C112 PolarHBondContact O-SG 3.02Å; R108-C112 VanDerWaalsContact O-SG 3.35Å; T109-C112 PolarHBondContact O-N 2.87Å; T109-C112 VanDerWaalsContact O-N 3.13Å; M110-C112 VanDerWaalsContact C-N 3.29Å; M110-C112 PolarHBondContact O-N 3.41Å; C112-R114 VanDerWaalsContact C-N 3.29Å; C112-R114 PolarHBondContact O-N 3.33Å; C112-K147 PolarHBondContact SG-NZ 3.37Å; C112-K147 VanDerWaalsContact SG-NZ 3.37Å |
| 113 | I | 78.4 | Confident | 84.2 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | trans | -77.3 | 85 | 174.9 | -65.7 | 162.2 | 0 | 0 | 0 | 107.5 | A77 F91 T109 M110 V115 I118 | A77-I113 HydrophobicContact CB-CG1 4.2Å; A77-I113 HydrophobicContact CB-CG2 3.71Å; F91-I113 HydrophobicContact CD2-CD1 4.46Å; F91-I113 HydrophobicContact CE2-CD1 3.55Å; F91-I113 HydrophobicContact CZ-CD1 3.75Å; T109-I113 HydrophobicContact CG2-CD1 4.13Å; T109-I113 VanDerWaalsContact O-CG1 3.29Å; T109-I113 WeakPolarHBondContact O-CG1 3.24Å; T109-I113 PolarHBondContact O-N 2.83Å; M110-I113 PolarHBondContact O-N 3.23Å; I113-V115 HydrophobicContact CG2-CB 4.11Å; I113-V115 HydrophobicContact CG2-CG2 3.79Å; I113-V115 PolarHBondContact O-N 3.46Å; I113-I118 HydrophobicContact CG2-CD1 3.55Å | ||
| 114 | R | 75.4 | Confident | 84.1 | Confident | 155 Ų | 155 | 42.9 Ų | 42.9 | 59% | 0.585 | 20% | 0.195 | S | C | * | . | trans | -69.9 | 65 | 179 | -61.8 | -176.9 | 177.1 | 177 | -0.1 | 111.9 | C112 I151 | C112-R114 VanDerWaalsContact C-N 3.29Å; C112-R114 PolarHBondContact O-N 3.33Å; R114-I151 HydrophobicContact CB-CD1 4.31Å; R114-I151 HydrophobicContact CB-CG1 4.47Å; R114-I151 HydrophobicContact CG-CD1 3.99Å; R114-I151 HydrophobicContact CG-CG1 4.17Å | ||
| 115 | V | 76.4 | Confident | 84.1 | Confident | 14 Ų | 14 | 43.3 Ų | 43.3 | 9% | 0.085 | 20% | 0.198 | C | C | . | . | trans | -128.1 | 116.4 | 178.9 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | P81 I113 K117 I118 T119 | P81-V115 HydrophobicContact CB-CG1 3.77Å; I113-V115 HydrophobicContact CG2-CB 4.11Å; I113-V115 HydrophobicContact CG2-CG2 3.79Å; I113-V115 PolarHBondContact O-N 3.46Å; V115-K117 HydrophobicContact CG1-CB 4.37Å; V115-K117 PolarHBondContact O-N 3.5Å; V115-K117 VanDerWaalsContact O-N 3.13Å; V115-I118 HydrophobicContact CB-CB 4.42Å; V115-I118 HydrophobicContact CB-CD1 4.08Å; V115-I118 HydrophobicContact CB-CG1 4.27Å; V115-I118 HydrophobicContact CG1-CD1 4.26Å; V115-I118 HydrophobicContact CG1-CG1 4.24Å; V115-I118 WeakPolarHBondContact O-CB 3.44Å; V115-I118 PolarHBondContact O-N 2.91Å; V115-T119 PolarHBondContact O-N 2.91Å | ||
| 116 | D | 73.3 | Confident | 84.4 | Confident | 117 Ų | 117 | 41.8 Ų | 41.8 | 63% | 0.626 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -56 | -35 | -173.9 | -56.3 | -26 | 0 | 0 | 0 | 113.4 | I118 T119 | D116-I118 PolarHBondContact O-N 2.87Å; D116-T119 PolarHBondContact O-N 2.93Å; D116-T119 PolarHBondContact O-OG1 3.12Å |
| 117 | K | 74.4 | Confident | 84.6 | Confident | 116 Ų | 116 | 45.1 Ų | 45.1 | 50% | 0.504 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.2 | -19.1 | 176.9 | -63.1 | -175.1 | -174.5 | 178.5 | 0 | 113.5 | D82 I85 V115 Y121 | D82-K117 IonicContact OD1-NZ 2.78Å; D82-K117 PolarHBondContact OD1-NZ 3.37Å; I85-K117 HydrophobicContact CD1-CB 4.36Å; I85-K117 HydrophobicContact CD1-CD 3.9Å; V115-K117 HydrophobicContact CG1-CB 4.37Å; V115-K117 PolarHBondContact O-N 3.5Å; V115-K117 VanDerWaalsContact O-N 3.13Å; K117-Y121 VanDerWaalsContact O-CD2 3.26Å; K117-Y121 WeakPolarHBondContact O-CD2 3.24Å; K117-Y121 VanDerWaalsContact O-CE2 3.26Å; K117-Y121 WeakPolarHBondContact O-CE2 3.32Å |
| 118 | I | 74.8 | Confident | 84.7 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -96.1 | -23.4 | -176.5 | -65.5 | 177.2 | 0 | 0 | 0 | 111.5 | A84 V88 I113 V115 D116 E120 Y121 L122 | A84-I118 HydrophobicContact CB-CD1 3.63Å; V88-I118 HydrophobicContact CG2-CB 4.49Å; V88-I118 HydrophobicContact CG2-CD1 4.21Å; V88-I118 HydrophobicContact CG2-CG1 3.92Å; V88-I118 HydrophobicContact CG2-CG2 4.02Å; I113-I118 HydrophobicContact CG2-CD1 3.55Å; V115-I118 HydrophobicContact CB-CB 4.42Å; V115-I118 HydrophobicContact CB-CD1 4.08Å; V115-I118 HydrophobicContact CB-CG1 4.27Å; V115-I118 HydrophobicContact CG1-CD1 4.26Å; V115-I118 HydrophobicContact CG1-CG1 4.24Å; V115-I118 WeakPolarHBondContact O-CB 3.44Å; V115-I118 PolarHBondContact O-N 2.91Å; D116-I118 PolarHBondContact O-N 2.87Å; I118-E120 VanDerWaalsContact C-N 3.35Å; I118-E120 PolarHBondContact O-N 2.97Å; I118-Y121 PolarHBondContact O-N 3.43Å; I118-Y121 VanDerWaalsContact O-N 3.07Å; I118-L122 PolarHBondContact O-N 3.02Å |
| 119 | T | 80.1 | Confident | 84.9 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | -175 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | V115 D116 Y121 L122 C123 L148 I151 | V115-T119 PolarHBondContact O-N 2.91Å; D116-T119 PolarHBondContact O-N 2.93Å; D116-T119 PolarHBondContact O-OG1 3.12Å; T119-Y121 VanDerWaalsContact C-N 3.25Å; T119-Y121 PolarHBondContact O-N 3.35Å; T119-L122 WeakPolarHBondContact O-CB 3.44Å; T119-L122 PolarHBondContact O-N 2.87Å; T119-C123 PolarHBondContact O-N 2.73Å; T119-L148 HydrophobicContact CG2-CD1 3.91Å; T119-I151 HydrophobicContact CG2-CB 4.46Å; T119-I151 HydrophobicContact CG2-CD1 4.5Å; T119-I151 HydrophobicContact CG2-CG2 3.72Å |
| 120 | E | 82.6 | Confident | 85.3 | Confident | 137 Ų | 137 | 48.2 Ų | 48.2 | 64% | 0.64 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -58.5 | -37.5 | 176.1 | -70 | -177 | -174.4 | 0 | 0 | 112.4 | I118 L122 C123 M155 | I118-E120 VanDerWaalsContact C-N 3.35Å; I118-E120 PolarHBondContact O-N 2.97Å; E120-L122 VanDerWaalsContact C-N 3.28Å; E120-L122 PolarHBondContact O-N 3.3Å; E120-C123 PolarHBondContact O-N 3.08Å; E120-M155 HydrophobicContact CG-CE 3.51Å |
| 121 | Y | 84.8 | Confident | 85.7 | Confident | 119 Ų | 119 | 55.6 Ų | 55.6 | 47% | 0.467 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -76.2 | -15.5 | 179 | -61.4 | -81.2 | 0 | 0 | 0 | 113.3 | V88 K117 I118 T119 P125 | V88-Y121 VanDerWaalsContact CG1-CB 3.43Å; V88-Y121 HydrophobicContact CG1-CD1 4.03Å; V88-Y121 HydrophobicContact CG1-CD2 4.22Å; V88-Y121 HydrophobicContact CG1-CG 3.65Å; K117-Y121 VanDerWaalsContact O-CD2 3.26Å; K117-Y121 WeakPolarHBondContact O-CD2 3.24Å; K117-Y121 VanDerWaalsContact O-CE2 3.26Å; K117-Y121 WeakPolarHBondContact O-CE2 3.32Å; I118-Y121 PolarHBondContact O-N 3.43Å; I118-Y121 VanDerWaalsContact O-N 3.07Å; T119-Y121 VanDerWaalsContact C-N 3.25Å; T119-Y121 PolarHBondContact O-N 3.35Å; Y121-P125 WeakPolarHBondContact O-CD 3.4Å; Y121-P125 WeakPolarHBondContact O-CG 3.46Å |
| 122 | L | 88.9 | Confident | 86.2 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -79.9 | -27 | 175.6 | 177.4 | 56.5 | 0 | 0 | 0 | 112.1 | V107 M110 I118 T119 E120 E124 P125 L126 L148 | V107-L122 HydrophobicContact CG2-CD1 3.99Å; M110-L122 HydrophobicContact CB-CD1 3.62Å; M110-L122 HydrophobicContact CB-CD2 4.37Å; M110-L122 HydrophobicContact CB-CG 4.42Å; M110-L122 HydrophobicContact CE-CB 4.09Å; M110-L122 HydrophobicContact CE-CD1 4.27Å; M110-L122 HydrophobicContact CG-CD1 4.48Å; M110-L122 HydrophobicContact SD-CD1 4.09Å; I118-L122 PolarHBondContact O-N 3.02Å; T119-L122 WeakPolarHBondContact O-CB 3.44Å; T119-L122 PolarHBondContact O-N 2.87Å; E120-L122 VanDerWaalsContact C-N 3.28Å; E120-L122 PolarHBondContact O-N 3.3Å; L122-E124 PolarHBondContact O-N 2.92Å; L122-P125 WeakPolarHBondContact O-CD 3.48Å; L122-L126 HydrophobicContact CD1-CB 4.17Å; L122-L126 HydrophobicContact CG-CB 4.26Å; L122-L126 WeakPolarHBondContact O-CB 3.43Å; L122-L126 PolarHBondContact O-N 3.38Å; L122-L148 HydrophobicContact CD2-CD1 4.31Å; L122-L148 HydrophobicContact CD2-CD2 4.43Å |
| 123 | C | 90.7 | Very high | 86.7 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.034 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.1 | -53 | -173 | -63.1 | 0 | 0 | 0 | 0 | 113 | T119 E120 L126 R127 M155 F161 | T119-C123 PolarHBondContact O-N 2.73Å; E120-C123 PolarHBondContact O-N 3.08Å; C123-L126 PolarHBondContact O-N 2.93Å; C123-R127 WeakPolarHBondContact O-CB 3.38Å; C123-R127 PolarHBondContact O-N 2.94Å; C123-M155 VanDerWaalsContact SG-SD 3.62Å; C123-F161 HydrophobicContact CB-CE2 4.09Å; C123-F161 HydrophobicContact CB-CZ 4Å; C123-F161 VanDerWaalsContact O-CZ 3.31Å; C123-F161 WeakPolarHBondContact O-CZ 3.37Å |
| 124 | E | 90.4 | Very high | 87.6 | Confident | 101 Ų | 101 | 65.9 Ų | 65.9 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.3 | -48.7 | -178.8 | -69.7 | -57.5 | 139.3 | 0 | 0 | 113.1 | L122 L126 R127 K128 | L122-E124 PolarHBondContact O-N 2.92Å; E124-L126 VanDerWaalsContact C-N 3.32Å; E124-L126 PolarHBondContact O-N 3.26Å; E124-R127 PolarHBondContact O-N 3.24Å; E124-R127 IonicContact OE1-CZ 3.88Å; E124-R127 IonicContact OE1-NH1 2.76Å; E124-R127 PolarHBondContact OE1-NH1 2.83Å; E124-R127 IonicContact OE2-NH1 3.71Å; E124-K128 PolarHBondContact O-N 3.24Å; E124-K128 VanDerWaalsContact O-N 3.15Å |
| 125 | P | 92.5 | Very high | 88.4 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 7% | 0.065 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56 | -43.2 | 172.3 | -26.5 | 33.5 | 0 | 0 | 0 | 113.7 | V92 C95 Y121 L122 K128 C129 | V92-P125 HydrophobicContact CG1-CG 4.41Å; V92-P125 HydrophobicContact CG2-CG 3.97Å; C95-P125 HydrophobicContact CB-CB 3.99Å; Y121-P125 WeakPolarHBondContact O-CD 3.4Å; Y121-P125 WeakPolarHBondContact O-CG 3.46Å; L122-P125 WeakPolarHBondContact O-CD 3.48Å; P125-K128 PolarHBondContact O-N 2.64Å; P125-C129 WeakPolarHBondContact O-CB 3.49Å; P125-C129 PolarHBondContact O-N 3.24Å; P125-C129 PolarHBondContact O-SG 2.76Å |
| 126 | L | 94.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 180 | -178.9 | 59.7 | 0 | 0 | 0 | 111.3 | V107 L122 C123 E124 K128 C129 L130 A141 C144 V145 L148 F161 | V107-L126 HydrophobicContact CG2-CB 4.44Å; V107-L126 HydrophobicContact CG2-CD1 3.81Å; L122-L126 HydrophobicContact CD1-CB 4.17Å; L122-L126 HydrophobicContact CG-CB 4.26Å; L122-L126 WeakPolarHBondContact O-CB 3.43Å; L122-L126 PolarHBondContact O-N 3.38Å; C123-L126 PolarHBondContact O-N 2.93Å; E124-L126 VanDerWaalsContact C-N 3.32Å; E124-L126 PolarHBondContact O-N 3.26Å; L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 3.19Å; L126-C129 PolarHBondContact O-N 3.16Å; L126-C129 VanDerWaalsContact O-N 3.15Å; L126-L130 HydrophobicContact CG-CD1 4.36Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.4Å; L126-A141 HydrophobicContact CD1-CB 4Å; L126-C144 HydrophobicContact CD1-CB 3.81Å; L126-V145 HydrophobicContact CD1-CG2 4.29Å; L126-V145 HydrophobicContact CD2-CG2 4.03Å; L126-V145 HydrophobicContact CG-CG2 4.35Å; L126-L148 HydrophobicContact CD2-CD2 3.73Å; L126-F161 HydrophobicContact CB-CE1 4.24Å; L126-F161 HydrophobicContact CB-CZ 4.4Å; L126-F161 HydrophobicContact CD2-CD1 4.26Å; L126-F161 HydrophobicContact CD2-CE1 4.06Å; L126-F161 HydrophobicContact CD2-CZ 4.23Å; L126-F161 HydrophobicContact CG-CD1 4.39Å; L126-F161 HydrophobicContact CG-CE1 3.98Å; L126-F161 HydrophobicContact CG-CZ 4.45Å |
| 127 | R | 94.4 | Very high | 90.3 | Very high | 70 Ų | 70 | 56.5 Ų | 56.5 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 177.2 | -172.9 | 178.1 | -71 | 143.3 | -2.5 | 112.1 | C123 E124 Q159 F161 | C123-R127 WeakPolarHBondContact O-CB 3.38Å; C123-R127 PolarHBondContact O-N 2.94Å; E124-R127 PolarHBondContact O-N 3.24Å; E124-R127 IonicContact OE1-CZ 3.88Å; E124-R127 IonicContact OE1-NH1 2.76Å; E124-R127 PolarHBondContact OE1-NH1 2.83Å; E124-R127 IonicContact OE2-NH1 3.71Å; R127-Q159 PolarHBondContact NH2-O 2.84Å; R127-Q159 VanDerWaalsContact NH2-O 3.15Å; R127-F161 HydrophobicContact CB-CE1 3.93Å; R127-F161 HydrophobicContact CB-CZ 4.39Å |
| 128 | K | 93.9 | Very high | 91.4 | Very high | 114 Ų | 114 | 52.1 Ų | 52.1 | 50% | 0.496 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66 | -45.5 | 173.7 | -67 | -177.2 | -171.9 | -175.8 | 0 | 111.3 | E96 E124 P125 L126 L130 K131 D132 | E96-K128 IonicContact OE1-NZ 2.62Å; E96-K128 PolarHBondContact OE1-NZ 3.39Å; E124-K128 PolarHBondContact O-N 3.24Å; E124-K128 VanDerWaalsContact O-N 3.15Å; P125-K128 PolarHBondContact O-N 2.64Å; L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 3.19Å; K128-L130 VanDerWaalsContact C-N 3.32Å; K128-L130 PolarHBondContact O-N 3.47Å; K128-K131 CarbonylContact O-C 2.96Å; K128-K131 PolarHBondContact O-N 3.45Å; K128-D132 PolarHBondContact O-N 3.25Å; K128-D132 VanDerWaalsContact O-N 3.14Å |
| 129 | C | 95.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.4 | -31.3 | -178.6 | -68 | 0 | 0 | 0 | 0 | 113.3 | V107 P125 L126 K131 D132 V137 A141 | V107-C129 HydrophobicContact CG1-CB 4.42Å; V107-C129 HydrophobicContact CG2-CB 4.28Å; P125-C129 WeakPolarHBondContact O-CB 3.49Å; P125-C129 PolarHBondContact O-N 3.24Å; P125-C129 PolarHBondContact O-SG 2.76Å; L126-C129 PolarHBondContact O-N 3.16Å; L126-C129 VanDerWaalsContact O-N 3.15Å; C129-K131 PolarHBondContact O-N 3.28Å; C129-D132 WeakPolarHBondContact O-CB 3.43Å; C129-D132 PolarHBondContact O-N 2.69Å; C129-V137 HydrophobicContact CB-CG1 3.79Å; C129-A141 HydrophobicContact CB-CB 3.76Å |
| 130 | L | 95.4 | Very high | 93 | Very high | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.3 | -23.8 | 173.5 | -73.8 | 167.4 | 0 | 0 | 0 | 112.8 | L126 K128 R138 A141 V145 F161 L168 | L126-L130 HydrophobicContact CG-CD1 4.36Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.4Å; K128-L130 VanDerWaalsContact C-N 3.32Å; K128-L130 PolarHBondContact O-N 3.47Å; L130-R138 WeakPolarHBondContact O-CD 3.4Å; L130-A141 HydrophobicContact CD2-CB 3.76Å; L130-A141 HydrophobicContact CG-CB 3.96Å; L130-V145 HydrophobicContact CD1-CG2 3.99Å; L130-V145 HydrophobicContact CD2-CG2 4.01Å; L130-V145 HydrophobicContact CG-CG2 4.49Å; L130-F161 HydrophobicContact CD1-CD1 3.64Å; L130-F161 HydrophobicContact CD1-CE1 4.08Å; L130-L168 HydrophobicContact CD2-CD1 3.63Å |
| 131 | K | 94.9 | Very high | 93.6 | Very high | 158 Ų | 158 | 47.3 Ų | 47.3 | 69% | 0.687 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | 19 | 178.4 | -58.6 | -176.6 | -178 | -177.6 | 0 | 112.3 | K128 C129 | K128-K131 CarbonylContact O-C 2.96Å; K128-K131 PolarHBondContact O-N 3.45Å; C129-K131 PolarHBondContact O-N 3.28Å |
| 132 | D | 96.2 | Very high | 94.1 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 12% | 0.123 | 19% | 0.193 | C | C | . | . | trans | -65 | 149.6 | 179.8 | -160.9 | -75.9 | 0 | 0 | 0 | 110.7 | R103 K128 C129 D134 V137 R138 | R103-D132 IonicContact CZ-OD1 2.7Å; R103-D132 IonicContact CZ-OD2 3.41Å; R103-D132 IonicContact NE-OD1 3.79Å; R103-D132 IonicContact NE-OD2 3.67Å; R103-D132 PolarHBondContact NE-OD2 3.41Å; R103-D132 IonicContact NH2-OD1 2.8Å; R103-D132 PolarHBondContact NH2-OD1 3.05Å; R103-D132 IonicContact NH2-OD2 3.69Å; R103-D132 PolarHBondContact NH2-OD2 2.89Å; K128-D132 PolarHBondContact O-N 3.25Å; K128-D132 VanDerWaalsContact O-N 3.14Å; C129-D132 WeakPolarHBondContact O-CB 3.43Å; C129-D132 PolarHBondContact O-N 2.69Å; D132-D134 PolarHBondContact O-N 3.28Å; D132-D134 WeakPolarHBondContact OD1-CB 3.33Å; D132-D134 PolarHBondContact OD1-N 2.83Å; D132-V137 HydrophobicContact CB-CB 3.79Å; D132-V137 HydrophobicContact CB-CG1 3.66Å; D132-R138 HydrophobicContact CB-CG 4.2Å; D132-R138 WeakPolarHBondContact O-CD 3.45Å; D132-R138 VanDerWaalsContact O-CG 3.3Å; D132-R138 WeakPolarHBondContact O-CG 3.19Å; D132-R138 PolarHBondContact O-NH1 3.4Å | ||
| 133 | E | 93.9 | Very high | 94.3 | Very high | 177 Ų | 177 | 44 Ų | 44 | 83% | 0.827 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -63.1 | -34.9 | 175.8 | -62.9 | -63.3 | 152.7 | 0 | 0 | 111.4 | R138 | E133-R138 PolarHBondContact O-NH1 2.99Š|
| 134 | D | 96.1 | Very high | 94.4 | Very high | 48 Ų | 48 | 43.9 Ų | 43.9 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -85.2 | 123 | -176 | -169.5 | -73.7 | 0 | 0 | 0 | 112.1 | P100 D132 Y136 V137 R138 | P100-D134 HydrophobicContact CB-CB 3.76Å; P100-D134 VanDerWaalsContact CB-CG 3.49Å; D132-D134 PolarHBondContact O-N 3.28Å; D132-D134 WeakPolarHBondContact OD1-CB 3.33Å; D132-D134 PolarHBondContact OD1-N 2.83Å; D134-Y136 VanDerWaalsContact C-N 3.26Å; D134-Y136 PolarHBondContact O-N 3.03Å; D134-Y136 WeakPolarHBondContact OD1-CA 3.26Å; D134-Y136 WeakPolarHBondContact OD1-CB 3.32Å; D134-Y136 PolarHBondContact OD1-N 3.12Å; D134-V137 HydrophobicContact CB-CG2 4.03Å; D134-V137 PolarHBondContact O-N 3.31Å; D134-V137 VanDerWaalsContact O-N 3.11Å; D134-V137 PolarHBondContact OD1-N 3.42Å; D134-R138 PolarHBondContact O-N 3.25Å |
| 135 | P | 93.5 | Very high | 94.5 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 25% | 0.253 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.6 | -29.1 | 179.8 | -23.2 | 33.1 | 0 | 0 | 0 | 114.5 | V137 R138 K139 N173 V176 | P135-V137 VanDerWaalsContact C-N 3.29Å; P135-V137 PolarHBondContact O-N 2.97Å; P135-R138 PolarHBondContact O-N 3.02Å; P135-K139 PolarHBondContact O-N 3.4Å; P135-N173 HydrophobicContact CB-CB 3.76Å; P135-N173 HydrophobicContact CG-CB 4.08Å; P135-V176 HydrophobicContact CB-CG2 3.94Å; P135-V176 VanDerWaalsContact O-CG2 3.31Å; P135-V176 WeakPolarHBondContact O-CG2 3.47Å |
| 136 | Y | 93.3 | Very high | 94.4 | Very high | 50 Ų | 50 | 38.7 Ų | 38.7 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.9 | -34.4 | 177.4 | -174.3 | -85.7 | 0 | 0 | 0 | 111.1 | L101 A104 D134 K139 T140 | L101-Y136 HydrophobicContact CD2-CD1 4.09Å; L101-Y136 HydrophobicContact CD2-CE1 3.9Å; A104-Y136 HydrophobicContact CB-CD1 3.55Å; A104-Y136 HydrophobicContact CB-CE1 3.51Å; D134-Y136 VanDerWaalsContact C-N 3.26Å; D134-Y136 PolarHBondContact O-N 3.03Å; D134-Y136 WeakPolarHBondContact OD1-CA 3.26Å; D134-Y136 WeakPolarHBondContact OD1-CB 3.32Å; D134-Y136 PolarHBondContact OD1-N 3.12Å; Y136-K139 HydrophobicContact CD2-CD 4.41Å; Y136-K139 VanDerWaalsContact CE2-CE 3.41Å; Y136-K139 VanDerWaalsContact CE2-NZ 3.29Å; Y136-K139 VanDerWaalsContact O-CG 3.26Å; Y136-K139 WeakPolarHBondContact O-CG 3.46Å; Y136-T140 WeakPolarHBondContact O-CB 3.2Å; Y136-T140 PolarHBondContact O-N 3.45Å; Y136-T140 PolarHBondContact O-OG1 3.41Å |
| 137 | V | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.8 | -47.9 | 174 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | P100 R103 A104 C129 D132 D134 P135 K139 T140 A141 | P100-V137 HydrophobicContact CB-CG2 3.77Å; P100-V137 WeakPolarHBondContact O-CG2 3.37Å; R103-V137 HydrophobicContact CB-CG1 4.36Å; R103-V137 HydrophobicContact CB-CG2 4.11Å; A104-V137 HydrophobicContact CB-CG2 4.18Å; C129-V137 HydrophobicContact CB-CG1 3.79Å; D132-V137 HydrophobicContact CB-CB 3.79Å; D132-V137 HydrophobicContact CB-CG1 3.66Å; D134-V137 HydrophobicContact CB-CG2 4.03Å; D134-V137 PolarHBondContact O-N 3.31Å; D134-V137 VanDerWaalsContact O-N 3.11Å; D134-V137 PolarHBondContact OD1-N 3.42Å; P135-V137 VanDerWaalsContact C-N 3.29Å; P135-V137 PolarHBondContact O-N 2.97Å; V137-K139 PolarHBondContact O-N 3.32Å; V137-T140 WeakPolarHBondContact O-CB 3.3Å; V137-T140 PolarHBondContact O-N 2.91Å; V137-T140 VanDerWaalsContact O-N 3.12Å; V137-A141 WeakPolarHBondContact O-CB 3.25Å; V137-A141 PolarHBondContact O-N 3.33Å |
| 138 | R | 97.2 | Very high | 94 | Very high | 24 Ų | 24 | 37.1 Ų | 37.1 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 178.8 | -63.9 | -160.5 | -59.1 | -78.9 | 2.5 | 113.1 | L130 D132 E133 D134 P135 T140 A141 A142 D171 V176 | L130-R138 WeakPolarHBondContact O-CD 3.4Å; D132-R138 HydrophobicContact CB-CG 4.2Å; D132-R138 WeakPolarHBondContact O-CD 3.45Å; D132-R138 VanDerWaalsContact O-CG 3.3Å; D132-R138 WeakPolarHBondContact O-CG 3.19Å; D132-R138 PolarHBondContact O-NH1 3.4Å; E133-R138 PolarHBondContact O-NH1 2.99Å; D134-R138 PolarHBondContact O-N 3.25Å; P135-R138 PolarHBondContact O-N 3.02Å; R138-T140 VanDerWaalsContact C-N 3.26Å; R138-T140 PolarHBondContact O-N 2.87Å; R138-A141 WeakPolarHBondContact O-CB 3.31Å; R138-A141 PolarHBondContact O-N 3.2Å; R138-A142 PolarHBondContact O-N 3.19Å; R138-D171 IonicContact CZ-OD1 2.73Å; R138-D171 IonicContact CZ-OD2 3.07Å; R138-D171 IonicContact NE-OD1 2.77Å; R138-D171 IonicContact NE-OD2 2.68Å; R138-D171 PolarHBondContact NE-OD2 2.85Å; R138-D171 IonicContact NH2-OD1 3.1Å; R138-D171 PolarHBondContact NH2-OD1 3.15Å; R138-D171 IonicContact NH2-OD2 2.73Å; R138-D171 PolarHBondContact NH2-OD2 3.26Å; R138-V176 HydrophobicContact CB-CG1 4.04Å; R138-V176 HydrophobicContact CB-CG2 3.98Å |
| 139 | K | 94 | Very high | 93.7 | Very high | 30 Ų | 30 | 31.9 Ų | 31.9 | 13% | 0.13 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.5 | -37.4 | 176.7 | 76.5 | 177.8 | -174 | 178.4 | 0 | 111.7 | P135 Y136 V137 A142 V143 M175 V176 N179 | P135-K139 PolarHBondContact O-N 3.4Å; Y136-K139 HydrophobicContact CD2-CD 4.41Å; Y136-K139 VanDerWaalsContact CE2-CE 3.41Å; Y136-K139 VanDerWaalsContact CE2-NZ 3.29Å; Y136-K139 VanDerWaalsContact O-CG 3.26Å; Y136-K139 WeakPolarHBondContact O-CG 3.46Å; V137-K139 PolarHBondContact O-N 3.32Å; K139-A142 WeakPolarHBondContact O-CB 3.29Å; K139-A142 PolarHBondContact O-N 2.97Å; K139-V143 PolarHBondContact O-N 2.69Å; K139-M175 HydrophobicContact CD-CB 4.28Å; K139-V176 HydrophobicContact CB-CG2 4.12Å; K139-N179 HydrophobicContact CB-CB 4.25Å |
| 140 | T | 94 | Very high | 93.2 | Very high | 16 Ų | 16 | 35.5 Ų | 35.5 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72 | -37.9 | -180 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | A104 V107 R108 Y136 V137 R138 V143 C144 | A104-T140 HydrophobicContact CB-CG2 4.19Å; A104-T140 WeakPolarHBondContact O-CG2 3.19Å; V107-T140 HydrophobicContact CG1-CG2 4.18Å; R108-T140 HydrophobicContact CB-CG2 3.66Å; R108-T140 HydrophobicContact CG-CG2 4.38Å; Y136-T140 WeakPolarHBondContact O-CB 3.2Å; Y136-T140 PolarHBondContact O-N 3.45Å; Y136-T140 PolarHBondContact O-OG1 3.41Å; V137-T140 WeakPolarHBondContact O-CB 3.3Å; V137-T140 PolarHBondContact O-N 2.91Å; V137-T140 VanDerWaalsContact O-N 3.12Å; R138-T140 VanDerWaalsContact C-N 3.26Å; R138-T140 PolarHBondContact O-N 2.87Å; T140-V143 PolarHBondContact O-N 2.68Å; T140-C144 WeakPolarHBondContact O-CB 3.34Å; T140-C144 PolarHBondContact O-N 2.95Å; T140-C144 VanDerWaalsContact O-N 3.07Å |
| 141 | A | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L126 C129 L130 V137 R138 V143 C144 V145 | L126-A141 HydrophobicContact CD1-CB 4Å; C129-A141 HydrophobicContact CB-CB 3.76Å; L130-A141 HydrophobicContact CD2-CB 3.76Å; L130-A141 HydrophobicContact CG-CB 3.96Å; V137-A141 WeakPolarHBondContact O-CB 3.25Å; V137-A141 PolarHBondContact O-N 3.33Å; R138-A141 WeakPolarHBondContact O-CB 3.31Å; R138-A141 PolarHBondContact O-N 3.2Å; A141-V143 PolarHBondContact O-N 3.28Å; A141-C144 WeakPolarHBondContact O-CA 3.32Å; A141-C144 VanDerWaalsContact O-CB 3.32Å; A141-C144 WeakPolarHBondContact O-CB 3.46Å; A141-C144 PolarHBondContact O-N 2.95Å; A141-V145 PolarHBondContact O-N 2.75Å |
| 142 | A | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.6 | -47.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R138 K139 C144 V145 L165 L168 N179 A183 | R138-A142 PolarHBondContact O-N 3.19Å; K139-A142 WeakPolarHBondContact O-CB 3.29Å; K139-A142 PolarHBondContact O-N 2.97Å; A142-C144 VanDerWaalsContact C-N 3.29Å; A142-C144 PolarHBondContact O-N 2.78Å; A142-V145 WeakPolarHBondContact O-CB 3.5Å; A142-V145 PolarHBondContact O-N 3.11Å; A142-L165 HydrophobicContact CB-CD1 3.68Å; A142-L168 HydrophobicContact CB-CD1 3.93Å; A142-N179 HydrophobicContact CB-CB 4.47Å; A142-A183 WeakPolarHBondContact O-CB 3.48Å |
| 143 | V | 92.9 | Very high | 91.8 | Very high | 53 Ų | 53 | 32.1 Ų | 32.1 | 32% | 0.321 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.5 | -36.9 | 174.9 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | K139 T140 A141 V145 A146 K147 N179 | K139-V143 PolarHBondContact O-N 2.69Å; T140-V143 PolarHBondContact O-N 2.68Å; A141-V143 PolarHBondContact O-N 3.28Å; V143-V145 VanDerWaalsContact C-N 3.28Å; V143-V145 PolarHBondContact O-N 2.84Å; V143-A146 PolarHBondContact O-N 3.49Å; V143-K147 PolarHBondContact O-N 3.22Å; V143-N179 HydrophobicContact CG2-CB 4.13Å; V143-N179 WeakPolarHBondContact CG2-OD1 3.48Å |
| 144 | C | 93 | Very high | 91.4 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.2 | -31.7 | 177.7 | -166.1 | 0 | 0 | 0 | 0 | 112.5 | V107 G111 L126 T140 A141 A142 K147 L148 | V107-C144 HydrophobicContact CG2-CB 4.42Å; V107-C144 PolarHBondContact O-SG 2.93Å; G111-C144 VanDerWaalsContact CA-SG 3.58Å; L126-C144 HydrophobicContact CD1-CB 3.81Å; T140-C144 WeakPolarHBondContact O-CB 3.34Å; T140-C144 PolarHBondContact O-N 2.95Å; T140-C144 VanDerWaalsContact O-N 3.07Å; A141-C144 WeakPolarHBondContact O-CA 3.32Å; A141-C144 VanDerWaalsContact O-CB 3.32Å; A141-C144 WeakPolarHBondContact O-CB 3.46Å; A141-C144 PolarHBondContact O-N 2.95Å; A142-C144 VanDerWaalsContact C-N 3.29Å; A142-C144 PolarHBondContact O-N 2.78Å; C144-K147 PolarHBondContact O-N 3.08Å; C144-L148 WeakPolarHBondContact O-CB 3.22Å; C144-L148 PolarHBondContact O-N 2.98Å |
| 145 | V | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 173.6 | 176.3 | 0 | 0 | 0 | 0 | 111.2 | L126 L130 A141 A142 V143 L148 H149 V156 F161 L165 I187 | L126-V145 HydrophobicContact CD1-CG2 4.29Å; L126-V145 HydrophobicContact CD2-CG2 4.03Å; L126-V145 HydrophobicContact CG-CG2 4.35Å; L130-V145 HydrophobicContact CD1-CG2 3.99Å; L130-V145 HydrophobicContact CD2-CG2 4.01Å; L130-V145 HydrophobicContact CG-CG2 4.49Å; A141-V145 PolarHBondContact O-N 2.75Å; A142-V145 WeakPolarHBondContact O-CB 3.5Å; A142-V145 PolarHBondContact O-N 3.11Å; V143-V145 VanDerWaalsContact C-N 3.28Å; V143-V145 PolarHBondContact O-N 2.84Å; V145-L148 PolarHBondContact O-N 3.27Å; V145-H149 WeakPolarHBondContact O-CB 3.21Å; V145-H149 PolarHBondContact O-N 2.75Å; V145-V156 HydrophobicContact CG1-CG1 3.98Å; V145-F161 HydrophobicContact CG1-CB 4.08Å; V145-F161 HydrophobicContact CG2-CB 4.5Å; V145-L165 HydrophobicContact CB-CD2 4.28Å; V145-L165 HydrophobicContact CG1-CB 4.48Å; V145-L165 HydrophobicContact CG1-CD2 3.91Å; V145-I187 HydrophobicContact CG1-CD1 4.43Å |
| 146 | A | 90.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60 | -47.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V143 L148 H149 D150 A183 I187 | V143-A146 PolarHBondContact O-N 3.49Å; A146-L148 VanDerWaalsContact C-N 3.33Å; A146-L148 PolarHBondContact O-N 3.47Å; A146-H149 VanDerWaalsContact O-CB 3.31Å; A146-H149 WeakPolarHBondContact O-CB 3.4Å; A146-H149 PolarHBondContact O-N 2.91Å; A146-H149 VanDerWaalsContact O-N 3.08Å; A146-D150 PolarHBondContact O-N 3.41Å; A146-A183 HydrophobicContact CB-CB 3.88Å; A146-I187 HydrophobicContact CB-CD1 4.32Å; A146-I187 HydrophobicContact CB-CG1 4.19Å |
| 147 | K | 89.2 | Confident | 90.4 | Very high | 38 Ų | 38 | 27.3 Ų | 27.3 | 17% | 0.165 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 176.9 | -64.9 | -166.7 | 176.4 | -155.7 | 0 | 113.2 | C112 V143 C144 H149 I151 D630 | C112-K147 PolarHBondContact SG-NZ 3.37Å; C112-K147 VanDerWaalsContact SG-NZ 3.37Å; V143-K147 PolarHBondContact O-N 3.22Å; C144-K147 PolarHBondContact O-N 3.08Å; K147-H149 VanDerWaalsContact C-N 3.31Å; K147-I151 WeakPolarHBondContact O-CD1 3.32Å; K147-I151 WeakPolarHBondContact O-CG1 3.41Å; K147-I151 PolarHBondContact O-N 3.43Å; K147-D630 IonicContact NZ-OD2 3.5Å; K147-D630 PolarHBondContact NZ-OD2 3.43Å |
| 148 | L | 89.3 | Confident | 90 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68 | -35.8 | 176 | -178.5 | 58.6 | 0 | 0 | 0 | 111.1 | T119 L122 L126 C144 V145 A146 I151 N152 V156 F161 | T119-L148 HydrophobicContact CG2-CD1 3.91Å; L122-L148 HydrophobicContact CD2-CD1 4.31Å; L122-L148 HydrophobicContact CD2-CD2 4.43Å; L126-L148 HydrophobicContact CD2-CD2 3.73Å; C144-L148 WeakPolarHBondContact O-CB 3.22Å; C144-L148 PolarHBondContact O-N 2.98Å; V145-L148 PolarHBondContact O-N 3.27Å; A146-L148 VanDerWaalsContact C-N 3.33Å; A146-L148 PolarHBondContact O-N 3.47Å; L148-I151 PolarHBondContact O-N 3.29Å; L148-I151 VanDerWaalsContact O-N 3.17Å; L148-N152 PolarHBondContact O-N 3.42Å; L148-V156 HydrophobicContact CB-CG2 4.07Å; L148-V156 HydrophobicContact CD2-CG2 3.95Å; L148-V156 HydrophobicContact CG-CG2 3.6Å; L148-F161 HydrophobicContact CD2-CE2 4.43Å |
| 149 | H | 87.9 | Confident | 89.6 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 176.9 | -171.2 | -74.7 | 0 | 0 | 0 | 111.7 | V145 A146 K147 I151 N152 A153 V156 I187 H191 | V145-H149 WeakPolarHBondContact O-CB 3.21Å; V145-H149 PolarHBondContact O-N 2.75Å; A146-H149 VanDerWaalsContact O-CB 3.31Å; A146-H149 WeakPolarHBondContact O-CB 3.4Å; A146-H149 PolarHBondContact O-N 2.91Å; A146-H149 VanDerWaalsContact O-N 3.08Å; K147-H149 VanDerWaalsContact C-N 3.31Å; H149-I151 PolarHBondContact O-N 3.06Å; H149-N152 CarbonylContact O-C 3.54Å; H149-N152 PolarHBondContact O-N 2.83Å; H149-A153 WeakPolarHBondContact CE1-CB 3.34Å; H149-A153 WeakPolarHBondContact O-CA 3.32Å; H149-A153 PolarHBondContact O-N 2.91Å; H149-V156 HydrophobicContact CB-CB 4.44Å; H149-V156 HydrophobicContact CB-CG1 4.32Å; H149-V156 HydrophobicContact CB-CG2 4.15Å; H149-I187 HydrophobicContact CB-CD1 4.25Å; H149-I187 HydrophobicContact CB-CG1 4.13Å; H149-H191 AromaticContact CE1-CD2 3.31Å; H149-H191 PolarHBondContact CE1-CD2 3.23Å; H149-H191 AromaticContact CE1-NE2 3.48Å; H149-H191 PolarHBondContact CE1-NE2 3Å |
| 150 | D | 85.5 | Confident | 89.3 | Confident | 77 Ų | 77 | 34.9 Ų | 34.9 | 41% | 0.412 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.5 | -29.4 | 174 | -67.2 | -17.2 | 0 | 0 | 0 | 113.3 | A146 | A146-D150 PolarHBondContact O-N 3.41Å |
| 151 | I | 84.6 | Confident | 89.3 | Confident | 40 Ų | 40 | 34.1 Ų | 34.1 | 21% | 0.205 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -85.3 | -48 | 179.5 | -57.8 | 161.7 | 0 | 0 | 0 | 110.4 | R114 T119 K147 L148 H149 | R114-I151 HydrophobicContact CB-CD1 4.31Å; R114-I151 HydrophobicContact CB-CG1 4.47Å; R114-I151 HydrophobicContact CG-CD1 3.99Å; R114-I151 HydrophobicContact CG-CG1 4.17Å; T119-I151 HydrophobicContact CG2-CB 4.46Å; T119-I151 HydrophobicContact CG2-CD1 4.5Å; T119-I151 HydrophobicContact CG2-CG2 3.72Å; K147-I151 WeakPolarHBondContact O-CD1 3.32Å; K147-I151 WeakPolarHBondContact O-CG1 3.41Å; K147-I151 PolarHBondContact O-N 3.43Å; L148-I151 PolarHBondContact O-N 3.29Å; L148-I151 VanDerWaalsContact O-N 3.17Å; H149-I151 PolarHBondContact O-N 3.06Å |
| 152 | N | 85.9 | Confident | 88.9 | Confident | 54 Ų | 54 | 34.8 Ų | 34.8 | 29% | 0.289 | 19% | 0.185 | S | C | . | . | trans | -148.8 | 83.6 | -176.9 | -169.4 | -19.5 | 0 | 0 | 0 | 111.6 | L148 H149 Q154 M155 V156 | L148-N152 PolarHBondContact O-N 3.42Å; H149-N152 CarbonylContact O-C 3.54Å; H149-N152 PolarHBondContact O-N 2.83Å; N152-Q154 PolarHBondContact O-N 3.25Å; N152-M155 HydrophobicContact CB-CB 4.1Å; N152-M155 VanDerWaalsContact CG-CB 3.46Å; N152-M155 PolarHBondContact O-N 2.91Å; N152-M155 WeakPolarHBondContact OD1-CB 3.3Å; N152-M155 PolarHBondContact OD1-N 3.3Å; N152-V156 PolarHBondContact O-N 2.67Å | ||
| 153 | A | 85.7 | Confident | 88.7 | Confident | 21 Ų | 21 | 39.2 Ų | 39.2 | 17% | 0.174 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.2 | -46.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | H149 M155 V156 E157 | H149-A153 WeakPolarHBondContact CE1-CB 3.34Å; H149-A153 WeakPolarHBondContact O-CA 3.32Å; H149-A153 PolarHBondContact O-N 2.91Å; A153-M155 VanDerWaalsContact C-N 3.31Å; A153-M155 PolarHBondContact O-N 3.22Å; A153-V156 PolarHBondContact O-N 2.93Å; A153-E157 PolarHBondContact O-N 3.2Å |
| 154 | Q | 85.8 | Confident | 88.6 | Confident | 109 Ų | 109 | 37.9 Ų | 37.9 | 51% | 0.509 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.2 | -44.4 | -178.9 | -175.2 | 64.1 | 42.7 | 0 | 0 | 111.7 | N152 V156 E157 D158 | N152-Q154 PolarHBondContact O-N 3.25Å; Q154-V156 VanDerWaalsContact C-N 3.33Å; Q154-V156 PolarHBondContact O-N 3.06Å; Q154-E157 PolarHBondContact O-N 3.27Å; Q154-D158 PolarHBondContact NE2-OD1 3Å; Q154-D158 PolarHBondContact NE2-OD2 2.85Å; Q154-D158 VanDerWaalsContact NE2-OD2 3.16Å; Q154-D158 WeakPolarHBondContact O-CB 3.39Å; Q154-D158 PolarHBondContact O-N 2.98Å |
| 155 | M | 87 | Confident | 88.5 | Confident | 26 Ų | 26 | 37.8 Ų | 37.8 | 13% | 0.128 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.4 | -38.2 | 177.4 | 179.3 | -179 | -76.8 | 0 | 0 | 112.2 | E120 C123 N152 A153 E157 Q159 | E120-M155 HydrophobicContact CG-CE 3.51Å; C123-M155 VanDerWaalsContact SG-SD 3.62Å; N152-M155 HydrophobicContact CB-CB 4.1Å; N152-M155 VanDerWaalsContact CG-CB 3.46Å; N152-M155 PolarHBondContact O-N 2.91Å; N152-M155 WeakPolarHBondContact OD1-CB 3.3Å; N152-M155 PolarHBondContact OD1-N 3.3Å; A153-M155 VanDerWaalsContact C-N 3.31Å; A153-M155 PolarHBondContact O-N 3.22Å; M155-E157 VanDerWaalsContact C-N 3.34Å; M155-Q159 HydrophobicContact CG-CG 4.14Å; M155-Q159 WeakPolarHBondContact O-CB 3.4Å; M155-Q159 WeakPolarHBondContact O-CG 3.43Å; M155-Q159 PolarHBondContact O-N 3.24Å |
| 156 | V | 87.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.9 | -40 | 179.2 | 176 | 0 | 0 | 0 | 0 | 111.5 | V145 L148 H149 N152 A153 Q154 F161 L162 | V145-V156 HydrophobicContact CG1-CG1 3.98Å; L148-V156 HydrophobicContact CB-CG2 4.07Å; L148-V156 HydrophobicContact CD2-CG2 3.95Å; L148-V156 HydrophobicContact CG-CG2 3.6Å; H149-V156 HydrophobicContact CB-CB 4.44Å; H149-V156 HydrophobicContact CB-CG1 4.32Å; H149-V156 HydrophobicContact CB-CG2 4.15Å; N152-V156 PolarHBondContact O-N 2.67Å; A153-V156 PolarHBondContact O-N 2.93Å; Q154-V156 VanDerWaalsContact C-N 3.33Å; Q154-V156 PolarHBondContact O-N 3.06Å; V156-F161 HydrophobicContact CG1-CB 3.71Å; V156-F161 PolarHBondContact O-N 3.43Å; V156-F161 VanDerWaalsContact O-N 3.12Å; V156-L162 HydrophobicContact CG1-CD2 3.75Å; V156-L162 HydrophobicContact CG1-CG 4.1Å |
| 157 | E | 87.2 | Confident | 88.3 | Confident | 79 Ų | 79 | 47 Ų | 47 | 37% | 0.369 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.4 | -54.3 | 173.5 | -71.4 | -178 | -173.6 | 0 | 0 | 111.5 | A153 Q154 M155 Q159 G160 L162 | A153-E157 PolarHBondContact O-N 3.2Å; Q154-E157 PolarHBondContact O-N 3.27Å; M155-E157 VanDerWaalsContact C-N 3.34Å; E157-Q159 PolarHBondContact O-N 3.44Å; E157-G160 PolarHBondContact O-N 2.92Å; E157-L162 HydrophobicContact CG-CD1 3.61Å |
| 158 | D | 88 | Confident | 88.5 | Confident | 114 Ų | 114 | 45.7 Ų | 45.7 | 61% | 0.61 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.7 | -32.4 | -176.4 | -70.6 | -22.1 | 0 | 0 | 0 | 112.7 | Q154 G160 | Q154-D158 PolarHBondContact NE2-OD1 3Å; Q154-D158 PolarHBondContact NE2-OD2 2.85Å; Q154-D158 VanDerWaalsContact NE2-OD2 3.16Å; Q154-D158 WeakPolarHBondContact O-CB 3.39Å; Q154-D158 PolarHBondContact O-N 2.98Å; D158-G160 VanDerWaalsContact C-N 3.33Å |
| 159 | Q | 88.6 | Confident | 88.4 | Confident | 76 Ų | 76 | 46 Ų | 46 | 36% | 0.355 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -1.6 | -179.9 | -66.8 | -70.8 | -14.3 | 0 | 0 | 114 | R127 M155 E157 F161 | R127-Q159 PolarHBondContact NH2-O 2.84Å; R127-Q159 VanDerWaalsContact NH2-O 3.15Å; M155-Q159 HydrophobicContact CG-CG 4.14Å; M155-Q159 WeakPolarHBondContact O-CB 3.4Å; M155-Q159 WeakPolarHBondContact O-CG 3.43Å; M155-Q159 PolarHBondContact O-N 3.24Å; E157-Q159 PolarHBondContact O-N 3.44Å; Q159-F161 VanDerWaalsContact C-N 3.33Å; Q159-F161 HydrophobicContact CB-CD2 3.53Å; Q159-F161 HydrophobicContact CB-CE2 3.4Å; Q159-F161 HydrophobicContact CB-CG 4.49Å; Q159-F161 HydrophobicContact CB-CZ 4.28Å; Q159-F161 HydrophobicContact CG-CD2 4.49Å; Q159-F161 HydrophobicContact CG-CE2 4.04Å; Q159-F161 PolarHBondContact O-N 2.85Å |
| 160 | G | 89.4 | Confident | 88.4 | Confident | 23 Ų | 23 | 48.5 Ų | 48.5 | 24% | 0.237 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 24.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E157 D158 L162 S164 | E157-G160 PolarHBondContact O-N 2.92Å; D158-G160 VanDerWaalsContact C-N 3.33Å; G160-L162 VanDerWaalsContact C-N 3.33Å; G160-S164 PolarHBondContact O-N 3.36Å; G160-S164 PolarHBondContact O-OG 3.46Å; G160-S164 VanDerWaalsContact O-OG 3.13Å |
| 161 | F | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.8 | -29.2 | 179.5 | -75.2 | -60.5 | 0 | 0 | 0 | 112.6 | C123 L126 R127 L130 V145 L148 V156 Q159 D163 S164 L165 | C123-F161 HydrophobicContact CB-CE2 4.09Å; C123-F161 HydrophobicContact CB-CZ 4Å; C123-F161 VanDerWaalsContact O-CZ 3.31Å; C123-F161 WeakPolarHBondContact O-CZ 3.37Å; L126-F161 HydrophobicContact CB-CE1 4.24Å; L126-F161 HydrophobicContact CB-CZ 4.4Å; L126-F161 HydrophobicContact CD2-CD1 4.26Å; L126-F161 HydrophobicContact CD2-CE1 4.06Å; L126-F161 HydrophobicContact CD2-CZ 4.23Å; L126-F161 HydrophobicContact CG-CD1 4.39Å; L126-F161 HydrophobicContact CG-CE1 3.98Å; L126-F161 HydrophobicContact CG-CZ 4.45Å; R127-F161 HydrophobicContact CB-CE1 3.93Å; R127-F161 HydrophobicContact CB-CZ 4.39Å; L130-F161 HydrophobicContact CD1-CD1 3.64Å; L130-F161 HydrophobicContact CD1-CE1 4.08Å; V145-F161 HydrophobicContact CG1-CB 4.08Å; V145-F161 HydrophobicContact CG2-CB 4.5Å; L148-F161 HydrophobicContact CD2-CE2 4.43Å; V156-F161 HydrophobicContact CG1-CB 3.71Å; V156-F161 PolarHBondContact O-N 3.43Å; V156-F161 VanDerWaalsContact O-N 3.12Å; Q159-F161 VanDerWaalsContact C-N 3.33Å; Q159-F161 HydrophobicContact CB-CD2 3.53Å; Q159-F161 HydrophobicContact CB-CE2 3.4Å; Q159-F161 HydrophobicContact CB-CG 4.49Å; Q159-F161 HydrophobicContact CB-CZ 4.28Å; Q159-F161 HydrophobicContact CG-CD2 4.49Å; Q159-F161 HydrophobicContact CG-CE2 4.04Å; Q159-F161 PolarHBondContact O-N 2.85Å; F161-D163 VanDerWaalsContact C-N 3.34Å; F161-D163 PolarHBondContact O-N 2.81Å; F161-S164 PolarHBondContact O-N 3.1Å; F161-L165 WeakPolarHBondContact O-CB 3.18Å; F161-L165 PolarHBondContact O-N 2.84Å |
| 162 | L | 89.2 | Confident | 89 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175.8 | -60.5 | -175 | 0 | 0 | 0 | 111.7 | V156 E157 G160 L165 R166 I187 L196 | V156-L162 HydrophobicContact CG1-CD2 3.75Å; V156-L162 HydrophobicContact CG1-CG 4.1Å; E157-L162 HydrophobicContact CG-CD1 3.61Å; G160-L162 VanDerWaalsContact C-N 3.33Å; L162-L165 PolarHBondContact O-N 3.43Å; L162-R166 WeakPolarHBondContact O-CG 3.27Å; L162-R166 PolarHBondContact O-N 2.94Å; L162-I187 HydrophobicContact CD2-CD1 4.1Å; L162-I187 HydrophobicContact CD2-CG2 4.45Å; L162-L196 HydrophobicContact CD1-CD1 4.36Å; L162-L196 HydrophobicContact CD1-CD2 3.76Å; L162-L196 HydrophobicContact CD2-CD1 4.28Å |
| 163 | D | 89.8 | Confident | 89.3 | Confident | 93 Ų | 93 | 49.5 Ų | 49.5 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 175.7 | -63.1 | -31.4 | 0 | 0 | 0 | 111.4 | F161 L165 R166 D167 | F161-D163 VanDerWaalsContact C-N 3.34Å; F161-D163 PolarHBondContact O-N 2.81Å; D163-L165 PolarHBondContact O-N 3.36Å; D163-R166 WeakPolarHBondContact O-CB 3.36Å; D163-R166 PolarHBondContact O-N 3.38Å; D163-R166 VanDerWaalsContact O-N 3.15Å; D163-R166 IonicContact OD1-CZ 2.87Å; D163-R166 IonicContact OD1-NH1 3.95Å; D163-R166 PolarHBondContact OD1-NH1 2.76Å; D163-D167 PolarHBondContact O-N 2.93Å |
| 164 | S | 92.2 | Very high | 89.5 | Confident | 25 Ų | 25 | 49.4 Ų | 49.4 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.2 | -37.3 | 174.6 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | G160 F161 L168 | G160-S164 PolarHBondContact O-N 3.36Å; G160-S164 PolarHBondContact O-OG 3.46Å; G160-S164 VanDerWaalsContact O-OG 3.13Å; F161-S164 PolarHBondContact O-N 3.1Å; S164-L168 WeakPolarHBondContact O-CG 3.49Å; S164-L168 PolarHBondContact O-N 3.36Å |
| 165 | L | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.8 | -36.1 | 177.6 | -172.3 | 63.5 | 0 | 0 | 0 | 112.1 | A142 V145 F161 L162 D163 L168 A180 A183 L184 I187 | A142-L165 HydrophobicContact CB-CD1 3.68Å; V145-L165 HydrophobicContact CB-CD2 4.28Å; V145-L165 HydrophobicContact CG1-CB 4.48Å; V145-L165 HydrophobicContact CG1-CD2 3.91Å; F161-L165 WeakPolarHBondContact O-CB 3.18Å; F161-L165 PolarHBondContact O-N 2.84Å; L162-L165 PolarHBondContact O-N 3.43Å; D163-L165 PolarHBondContact O-N 3.36Å; L165-L168 HydrophobicContact CD1-CD1 4.35Å; L165-L168 WeakPolarHBondContact O-CB 3.33Å; L165-L168 PolarHBondContact O-N 2.86Å; L165-A180 HydrophobicContact CD1-CB 4.12Å; L165-A183 HydrophobicContact CD1-CB 4.21Å; L165-A183 HydrophobicContact CD2-CB 3.89Å; L165-L184 HydrophobicContact CB-CD2 4.26Å; L165-L184 HydrophobicContact CD2-CD2 3.61Å; L165-L184 HydrophobicContact CD2-CG 3.69Å; L165-L184 HydrophobicContact CG-CD1 4.36Å; L165-L184 HydrophobicContact CG-CD2 3.83Å; L165-L184 HydrophobicContact CG-CG 3.75Å; L165-I187 HydrophobicContact CD2-CD1 3.85Å |
| 166 | R | 88.7 | Confident | 90 | Very high | 74 Ų | 74 | 46.2 Ų | 46.2 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 172.4 | -71.6 | 174.8 | -175.4 | 114.1 | -10.2 | 112.2 | L162 D163 L168 I169 L184 L196 | L162-R166 WeakPolarHBondContact O-CG 3.27Å; L162-R166 PolarHBondContact O-N 2.94Å; D163-R166 WeakPolarHBondContact O-CB 3.36Å; D163-R166 PolarHBondContact O-N 3.38Å; D163-R166 VanDerWaalsContact O-N 3.15Å; D163-R166 IonicContact OD1-CZ 2.87Å; D163-R166 IonicContact OD1-NH1 3.95Å; D163-R166 PolarHBondContact OD1-NH1 2.76Å; R166-L168 PolarHBondContact O-N 2.9Å; R166-I169 VanDerWaalsContact O-CB 3.31Å; R166-I169 WeakPolarHBondContact O-CB 3.35Å; R166-I169 WeakPolarHBondContact O-CG1 3.47Å; R166-I169 PolarHBondContact O-N 3.05Å; R166-L184 HydrophobicContact CG-CD1 4.46Å; R166-L184 HydrophobicContact CG-CD2 4.18Å; R166-L196 PolarHBondContact NE-O 3.37Å |
| 167 | D | 90.2 | Very high | 90.3 | Very high | 120 Ų | 120 | 46.5 Ų | 46.5 | 64% | 0.642 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.5 | -31.9 | 176.6 | -72.8 | -20.6 | 0 | 0 | 0 | 111.6 | D163 I169 A170 | D163-D167 PolarHBondContact O-N 2.93Å; D167-I169 PolarHBondContact O-N 3.26Å; D167-A170 WeakPolarHBondContact O-CB 3.36Å; D167-A170 PolarHBondContact O-N 2.9Å |
| 168 | L | 91.8 | Very high | 90.5 | Very high | 11 Ų | 11 | 42.8 Ų | 42.8 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -68.2 | -15 | 176.4 | -67.2 | -177 | 0 | 0 | 0 | 114.4 | L130 A142 S164 L165 R166 A170 D171 V176 A180 | L130-L168 HydrophobicContact CD2-CD1 3.63Å; A142-L168 HydrophobicContact CB-CD1 3.93Å; S164-L168 WeakPolarHBondContact O-CG 3.49Å; S164-L168 PolarHBondContact O-N 3.36Å; L165-L168 HydrophobicContact CD1-CD1 4.35Å; L165-L168 WeakPolarHBondContact O-CB 3.33Å; L165-L168 PolarHBondContact O-N 2.86Å; R166-L168 PolarHBondContact O-N 2.9Å; L168-A170 PolarHBondContact O-N 3.21Å; L168-D171 VanDerWaalsContact O-CB 3.23Å; L168-D171 WeakPolarHBondContact O-CB 3.43Å; L168-D171 PolarHBondContact O-N 3.35Å; L168-D171 VanDerWaalsContact O-N 3.12Å; L168-V176 HydrophobicContact CB-CG1 4.14Å; L168-V176 HydrophobicContact CD1-CG1 4.16Å; L168-V176 HydrophobicContact CD2-CG1 3.91Å; L168-V176 HydrophobicContact CG-CG1 4.29Å; L168-A180 HydrophobicContact CB-CB 3.7Å |
| 169 | I | 88.9 | Confident | 90.7 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -63.3 | -27 | 168.8 | -57.2 | 175.1 | 0 | 0 | 0 | 110.3 | R166 D167 L184 N203 L207 | R166-I169 VanDerWaalsContact O-CB 3.31Å; R166-I169 WeakPolarHBondContact O-CB 3.35Å; R166-I169 WeakPolarHBondContact O-CG1 3.47Å; R166-I169 PolarHBondContact O-N 3.05Å; D167-I169 PolarHBondContact O-N 3.26Å; I169-L184 HydrophobicContact CD1-CD1 3.55Å; I169-L184 HydrophobicContact CG1-CD1 3.82Å; I169-N203 HydrophobicContact CG2-CB 4.39Å; I169-L207 HydrophobicContact CG2-CD2 4.19Å |
| 170 | A | 88.1 | Confident | 91 | Very high | 55 Ų | 55 | 35.6 Ų | 35.6 | 46% | 0.455 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -93.7 | 11.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D167 L168 K206 | D167-A170 WeakPolarHBondContact O-CB 3.36Å; D167-A170 PolarHBondContact O-N 2.9Å; L168-A170 PolarHBondContact O-N 3.21Å; A170-K206 HydrophobicContact CB-CD 4.37Å; A170-K206 VanDerWaalsContact CB-NZ 3.27Å |
| 171 | D | 92 | Very high | 91.1 | Very high | 33 Ų | 33 | 34.6 Ų | 34.6 | 18% | 0.176 | 20% | 0.198 | C | C | . | . | trans | -62.1 | 152.1 | 179.2 | -161.3 | -80.3 | 0 | 0 | 0 | 111.7 | R138 L168 N173 V176 V177 | R138-D171 IonicContact CZ-OD1 2.73Å; R138-D171 IonicContact CZ-OD2 3.07Å; R138-D171 IonicContact NE-OD1 2.77Å; R138-D171 IonicContact NE-OD2 2.68Å; R138-D171 PolarHBondContact NE-OD2 2.85Å; R138-D171 IonicContact NH2-OD1 3.1Å; R138-D171 PolarHBondContact NH2-OD1 3.15Å; R138-D171 IonicContact NH2-OD2 2.73Å; R138-D171 PolarHBondContact NH2-OD2 3.26Å; L168-D171 VanDerWaalsContact O-CB 3.23Å; L168-D171 WeakPolarHBondContact O-CB 3.43Å; L168-D171 PolarHBondContact O-N 3.35Å; L168-D171 VanDerWaalsContact O-N 3.12Å; D171-N173 VanDerWaalsContact C-N 3.27Å; D171-N173 PolarHBondContact O-N 2.92Å; D171-N173 WeakPolarHBondContact OD1-CB 3.28Å; D171-N173 PolarHBondContact OD1-N 3.37Å; D171-V176 HydrophobicContact CB-CB 4.02Å; D171-V176 HydrophobicContact CB-CG1 3.85Å; D171-V177 HydrophobicContact CB-CG2 4.11Å | ||
| 172 | S | 90 | Very high | 91 | Very high | 114 Ų | 114 | 35.5 Ų | 35.5 | 80% | 0.797 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -72.2 | -22.3 | 177.3 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 173 | N | 92.3 | Very high | 91.2 | Very high | 46 Ų | 46 | 35 Ų | 35 | 25% | 0.246 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -99.9 | 121.7 | -178.2 | -169.8 | -73.4 | 0 | 0 | 0 | 112 | P135 D171 M175 V176 V177 | P135-N173 HydrophobicContact CB-CB 3.76Å; P135-N173 HydrophobicContact CG-CB 4.08Å; D171-N173 VanDerWaalsContact C-N 3.27Å; D171-N173 PolarHBondContact O-N 2.92Å; D171-N173 WeakPolarHBondContact OD1-CB 3.28Å; D171-N173 PolarHBondContact OD1-N 3.37Å; N173-M175 VanDerWaalsContact C-N 3.28Å; N173-M175 PolarHBondContact O-N 3.47Å; N173-M175 VanDerWaalsContact OD1-CB 3.26Å; N173-M175 WeakPolarHBondContact OD1-CB 3.41Å; N173-M175 PolarHBondContact OD1-N 3.21Å; N173-V176 HydrophobicContact CB-CB 4.45Å; N173-V176 HydrophobicContact CB-CG2 3.95Å; N173-V176 WeakPolarHBondContact O-CB 3.34Å; N173-V176 PolarHBondContact O-N 2.68Å; N173-V177 PolarHBondContact O-N 2.75Å |
| 174 | P | 90.2 | Very high | 91.2 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 12% | 0.117 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57 | -34.1 | -180 | -26.9 | 34 | 0 | 0 | 0 | 114.9 | V176 V177 A178 A210 E213 C214 | P174-V176 VanDerWaalsContact C-N 3.3Å; P174-V176 PolarHBondContact O-N 3.01Å; P174-V177 PolarHBondContact O-N 3.08Å; P174-A178 WeakPolarHBondContact O-CB 3.23Å; P174-A178 PolarHBondContact O-N 2.83Å; P174-A210 HydrophobicContact CB-CB 3.98Å; P174-E213 HydrophobicContact CB-CB 4.13Å; P174-E213 HydrophobicContact CG-CB 3.65Å; P174-E213 WeakPolarHBondContact CG-OE2 3.47Å; P174-C214 PolarHBondContact O-SG 3.45Å; P174-C214 VanDerWaalsContact O-SG 3.34Å |
| 175 | M | 89.3 | Confident | 91 | Very high | 69 Ų | 69 | 30.4 Ų | 30.4 | 34% | 0.34 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.7 | -35.5 | 179.2 | -59.5 | -174.7 | 180 | 0 | 0 | 111.5 | K139 N173 N179 T215 | K139-M175 HydrophobicContact CD-CB 4.28Å; N173-M175 VanDerWaalsContact C-N 3.28Å; N173-M175 PolarHBondContact O-N 3.47Å; N173-M175 VanDerWaalsContact OD1-CB 3.26Å; N173-M175 WeakPolarHBondContact OD1-CB 3.41Å; N173-M175 PolarHBondContact OD1-N 3.21Å; M175-N179 PolarHBondContact O-N 2.93Å; M175-N179 PolarHBondContact O-ND2 3.09Å; M175-T215 HydrophobicContact CE-CG2 4.11Å |
| 176 | V | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.6 | -46.9 | 176.1 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | P135 R138 K139 L168 D171 N173 P174 A178 N179 A180 | P135-V176 HydrophobicContact CB-CG2 3.94Å; P135-V176 VanDerWaalsContact O-CG2 3.31Å; P135-V176 WeakPolarHBondContact O-CG2 3.47Å; R138-V176 HydrophobicContact CB-CG1 4.04Å; R138-V176 HydrophobicContact CB-CG2 3.98Å; K139-V176 HydrophobicContact CB-CG2 4.12Å; L168-V176 HydrophobicContact CB-CG1 4.14Å; L168-V176 HydrophobicContact CD1-CG1 4.16Å; L168-V176 HydrophobicContact CD2-CG1 3.91Å; L168-V176 HydrophobicContact CG-CG1 4.29Å; D171-V176 HydrophobicContact CB-CB 4.02Å; D171-V176 HydrophobicContact CB-CG1 3.85Å; N173-V176 HydrophobicContact CB-CB 4.45Å; N173-V176 HydrophobicContact CB-CG2 3.95Å; N173-V176 WeakPolarHBondContact O-CB 3.34Å; N173-V176 PolarHBondContact O-N 2.68Å; P174-V176 VanDerWaalsContact C-N 3.3Å; P174-V176 PolarHBondContact O-N 3.01Å; V176-A178 PolarHBondContact O-N 2.97Å; V176-N179 PolarHBondContact O-N 3.33Å; V176-A180 WeakPolarHBondContact O-CB 3.46Å; V176-A180 PolarHBondContact O-N 3.38Å |
| 177 | V | 92.7 | Very high | 90.7 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.9 | -49.1 | 176.6 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | D171 N173 P174 N179 A180 V181 L207 A210 | D171-V177 HydrophobicContact CB-CG2 4.11Å; N173-V177 PolarHBondContact O-N 2.75Å; P174-V177 PolarHBondContact O-N 3.08Å; V177-N179 PolarHBondContact O-N 3.1Å; V177-A180 PolarHBondContact O-N 2.91Å; V177-V181 VanDerWaalsContact O-CG2 3.3Å; V177-V181 WeakPolarHBondContact O-CG2 3.37Å; V177-V181 PolarHBondContact O-N 2.91Å; V177-L207 HydrophobicContact CG1-CD2 3.53Å; V177-A210 HydrophobicContact CB-CB 4.4Å; V177-A210 HydrophobicContact CG1-CB 4.21Å |
| 178 | A | 92.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P174 V176 A182 I222 | P174-A178 WeakPolarHBondContact O-CB 3.23Å; P174-A178 PolarHBondContact O-N 2.83Å; V176-A178 PolarHBondContact O-N 2.97Å; A178-A182 PolarHBondContact O-N 2.84Å; A178-I222 HydrophobicContact CB-CD1 4.32Å; A178-I222 HydrophobicContact CB-CG1 4.48Å |
| 179 | N | 93 | Very high | 89.6 | Confident | 40 Ų | 40 | 32.7 Ų | 32.7 | 21% | 0.214 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.8 | -33.6 | 178.5 | -77.1 | -89.3 | 0 | 0 | 0 | 112.2 | K139 A142 V143 M175 V176 V177 A182 A183 | K139-N179 HydrophobicContact CB-CB 4.25Å; A142-N179 HydrophobicContact CB-CB 4.47Å; V143-N179 HydrophobicContact CG2-CB 4.13Å; V143-N179 WeakPolarHBondContact CG2-OD1 3.48Å; M175-N179 PolarHBondContact O-N 2.93Å; M175-N179 PolarHBondContact O-ND2 3.09Å; V176-N179 PolarHBondContact O-N 3.33Å; V177-N179 PolarHBondContact O-N 3.1Å; N179-A182 PolarHBondContact O-N 2.89Å; N179-A183 VanDerWaalsContact O-CB 3.31Å; N179-A183 WeakPolarHBondContact O-CB 3.44Å; N179-A183 PolarHBondContact O-N 3.32Å |
| 180 | A | 93.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L165 L168 V176 V177 A183 L184 | L165-A180 HydrophobicContact CD1-CB 4.12Å; L168-A180 HydrophobicContact CB-CB 3.7Å; V176-A180 WeakPolarHBondContact O-CB 3.46Å; V176-A180 PolarHBondContact O-N 3.38Å; V177-A180 PolarHBondContact O-N 2.91Å; A180-A183 PolarHBondContact O-N 2.82Å; A180-L184 WeakPolarHBondContact O-CB 3.47Å; A180-L184 WeakPolarHBondContact O-CD1 3.49Å; A180-L184 VanDerWaalsContact O-CG 3.23Å; A180-L184 WeakPolarHBondContact O-CG 3.39Å; A180-L184 PolarHBondContact O-N 3.37Å |
| 181 | V | 91.6 | Very high | 88 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 174.2 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | V177 L184 S185 L207 C225 | V177-V181 VanDerWaalsContact O-CG2 3.3Å; V177-V181 WeakPolarHBondContact O-CG2 3.37Å; V177-V181 PolarHBondContact O-N 2.91Å; V181-L184 PolarHBondContact O-N 3.37Å; V181-S185 WeakPolarHBondContact O-CB 3.3Å; V181-S185 PolarHBondContact O-N 3.09Å; V181-S185 PolarHBondContact O-OG 3.31Å; V181-L207 HydrophobicContact CG2-CD1 4.43Å; V181-L207 HydrophobicContact CG2-CD2 3.51Å; V181-C225 HydrophobicContact CG1-CB 3.34Å |
| 182 | A | 91.4 | Very high | 86.4 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 17% | 0.165 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -51.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A178 N179 L184 S185 E186 F221 | A178-A182 PolarHBondContact O-N 2.84Å; N179-A182 PolarHBondContact O-N 2.89Å; A182-L184 PolarHBondContact O-N 2.89Å; A182-S185 PolarHBondContact O-N 2.85Å; A182-E186 WeakPolarHBondContact O-CB 3.41Å; A182-E186 PolarHBondContact O-N 3.17Å; A182-F221 HydrophobicContact CB-CB 4.2Å; A182-F221 HydrophobicContact CB-CD1 4.2Å; A182-F221 HydrophobicContact CB-CD2 3.72Å; A182-F221 HydrophobicContact CB-CE2 4.07Å; A182-F221 HydrophobicContact CB-CG 3.79Å; A182-F221 HydrophobicContact CB-CZ 4.47Å |
| 183 | A | 92 | Very high | 84.9 | Confident | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A142 A146 L165 N179 A180 S185 E186 I187 | A142-A183 WeakPolarHBondContact O-CB 3.48Å; A146-A183 HydrophobicContact CB-CB 3.88Å; L165-A183 HydrophobicContact CD1-CB 4.21Å; L165-A183 HydrophobicContact CD2-CB 3.89Å; N179-A183 VanDerWaalsContact O-CB 3.31Å; N179-A183 WeakPolarHBondContact O-CB 3.44Å; N179-A183 PolarHBondContact O-N 3.32Å; A180-A183 PolarHBondContact O-N 2.82Å; A183-S185 VanDerWaalsContact C-N 3.31Å; A183-S185 PolarHBondContact O-N 2.93Å; A183-E186 PolarHBondContact O-N 3.38Å; A183-I187 WeakPolarHBondContact O-CD1 3.43Å; A183-I187 WeakPolarHBondContact O-CG1 3.44Å; A183-I187 PolarHBondContact O-N 3.42Å |
| 184 | L | 90.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.6 | -37.5 | 177.4 | -72.7 | 166.5 | 0 | 0 | 0 | 112.1 | L165 R166 I169 A180 V181 A182 S188 L196 L197 | L165-L184 HydrophobicContact CB-CD2 4.26Å; L165-L184 HydrophobicContact CD2-CD2 3.61Å; L165-L184 HydrophobicContact CD2-CG 3.69Å; L165-L184 HydrophobicContact CG-CD1 4.36Å; L165-L184 HydrophobicContact CG-CD2 3.83Å; L165-L184 HydrophobicContact CG-CG 3.75Å; R166-L184 HydrophobicContact CG-CD1 4.46Å; R166-L184 HydrophobicContact CG-CD2 4.18Å; I169-L184 HydrophobicContact CD1-CD1 3.55Å; I169-L184 HydrophobicContact CG1-CD1 3.82Å; A180-L184 WeakPolarHBondContact O-CB 3.47Å; A180-L184 WeakPolarHBondContact O-CD1 3.49Å; A180-L184 VanDerWaalsContact O-CG 3.23Å; A180-L184 WeakPolarHBondContact O-CG 3.39Å; A180-L184 PolarHBondContact O-N 3.37Å; V181-L184 PolarHBondContact O-N 3.37Å; A182-L184 PolarHBondContact O-N 2.89Å; L184-S188 VanDerWaalsContact O-CB 3.31Å; L184-S188 WeakPolarHBondContact O-CB 3.35Å; L184-S188 PolarHBondContact O-N 2.95Å; L184-S188 PolarHBondContact O-OG 3.24Å; L184-L196 HydrophobicContact CD2-CB 4.35Å; L184-L197 VanDerWaalsContact C-CD1 3.45Å; L184-L197 HydrophobicContact CB-CD1 3.43Å; L184-L197 VanDerWaalsContact CB-CD1 3.43Å; L184-L197 HydrophobicContact CB-CG 3.99Å; L184-L197 WeakPolarHBondContact O-CD1 3.37Å |
| 185 | S | 87.4 | Confident | 81.9 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.8 | -46.7 | 179.3 | -57 | 0 | 0 | 0 | 0 | 110.3 | V181 A182 A183 I187 S188 E189 | V181-S185 WeakPolarHBondContact O-CB 3.3Å; V181-S185 PolarHBondContact O-N 3.09Å; V181-S185 PolarHBondContact O-OG 3.31Å; A182-S185 PolarHBondContact O-N 2.85Å; A183-S185 VanDerWaalsContact C-N 3.31Å; A183-S185 PolarHBondContact O-N 2.93Å; S185-I187 PolarHBondContact O-N 3.35Å; S185-S188 WeakPolarHBondContact CA-OG 3.38Å; S185-S188 PolarHBondContact O-N 3.08Å; S185-S188 PolarHBondContact O-OG 3.2Å; S185-E189 WeakPolarHBondContact O-CG 3.37Å; S185-E189 PolarHBondContact O-N 3.4Å |
| 186 | E | 86.7 | Confident | 80.6 | Confident | 91 Ų | 91 | 41.3 Ų | 41.3 | 43% | 0.425 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 176.5 | -174 | 173.4 | 172.6 | 0 | 0 | 112.4 | A182 A183 S188 E189 S190 | A182-E186 WeakPolarHBondContact O-CB 3.41Å; A182-E186 PolarHBondContact O-N 3.17Å; A183-E186 PolarHBondContact O-N 3.38Å; E186-S188 PolarHBondContact O-N 3.42Å; E186-E189 PolarHBondContact O-N 2.9Å; E186-S190 PolarHBondContact O-N 3.22Å; E186-S190 PolarHBondContact O-OG 3.04Å |
| 187 | I | 86.5 | Confident | 79.4 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.1 | -41.7 | 175.6 | -61.9 | 164.6 | 0 | 0 | 0 | 110.7 | V145 A146 H149 L162 L165 A183 S185 E189 S190 H191 L196 | V145-I187 HydrophobicContact CG1-CD1 4.43Å; A146-I187 HydrophobicContact CB-CD1 4.32Å; A146-I187 HydrophobicContact CB-CG1 4.19Å; H149-I187 HydrophobicContact CB-CD1 4.25Å; H149-I187 HydrophobicContact CB-CG1 4.13Å; L162-I187 HydrophobicContact CD2-CD1 4.1Å; L162-I187 HydrophobicContact CD2-CG2 4.45Å; L165-I187 HydrophobicContact CD2-CD1 3.85Å; A183-I187 WeakPolarHBondContact O-CD1 3.43Å; A183-I187 WeakPolarHBondContact O-CG1 3.44Å; A183-I187 PolarHBondContact O-N 3.42Å; S185-I187 PolarHBondContact O-N 3.35Å; I187-E189 VanDerWaalsContact C-N 3.29Å; I187-E189 PolarHBondContact O-N 3.05Å; I187-S190 PolarHBondContact O-N 3.37Å; I187-S190 VanDerWaalsContact O-N 3.16Å; I187-H191 PolarHBondContact O-N 3.05Å; I187-L196 HydrophobicContact CB-CD1 3.9Å; I187-L196 HydrophobicContact CG2-CD1 3.23Å |
| 188 | S | 82.3 | Confident | 78.3 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 24% | 0.238 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.8 | -32.9 | 179.6 | 73.2 | 0 | 0 | 0 | 0 | 113 | L184 S185 E186 S190 H191 | L184-S188 VanDerWaalsContact O-CB 3.31Å; L184-S188 WeakPolarHBondContact O-CB 3.35Å; L184-S188 PolarHBondContact O-N 2.95Å; L184-S188 PolarHBondContact O-OG 3.24Å; S185-S188 WeakPolarHBondContact CA-OG 3.38Å; S185-S188 PolarHBondContact O-N 3.08Å; S185-S188 PolarHBondContact O-OG 3.2Å; E186-S188 PolarHBondContact O-N 3.42Å; S188-S190 VanDerWaalsContact C-N 3.33Å; S188-H191 CarbonylContact O-C 3.56Å |
| 189 | E | 77.3 | Confident | 77.5 | Confident | 127 Ų | 127 | 49.8 Ų | 49.8 | 59% | 0.593 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70.1 | -32.2 | 175.1 | -72.9 | 179.9 | 179.5 | 0 | 0 | 111.9 | S185 E186 I187 | S185-E189 WeakPolarHBondContact O-CG 3.37Å; S185-E189 PolarHBondContact O-N 3.4Å; E186-E189 PolarHBondContact O-N 2.9Å; I187-E189 VanDerWaalsContact C-N 3.29Å; I187-E189 PolarHBondContact O-N 3.05Å |
| 190 | S | 73.9 | Confident | 77.1 | Confident | 63 Ų | 63 | 50.2 Ų | 50.2 | 44% | 0.441 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -76.2 | -32.3 | 176.9 | -60.4 | 0 | 0 | 0 | 0 | 112.8 | E186 I187 S188 | E186-S190 PolarHBondContact O-N 3.22Å; E186-S190 PolarHBondContact O-OG 3.04Å; I187-S190 PolarHBondContact O-N 3.37Å; I187-S190 VanDerWaalsContact O-N 3.16Å; S188-S190 VanDerWaalsContact C-N 3.33Å |
| 191 | H | 69.3 | Low | 76.6 | Confident | 77 Ų | 77 | 51.4 Ų | 51.4 | 36% | 0.356 | 28% | 0.283 | S | S | . | . | trans | -131.7 | 84.6 | -179.4 | -68.4 | -97.9 | 0 | 0 | 0 | 111.7 | H149 I187 S188 N193 S194 | H149-H191 AromaticContact CE1-CD2 3.31Å; H149-H191 PolarHBondContact CE1-CD2 3.23Å; H149-H191 AromaticContact CE1-NE2 3.48Å; H149-H191 PolarHBondContact CE1-NE2 3Å; I187-H191 PolarHBondContact O-N 3.05Å; S188-H191 CarbonylContact O-C 3.56Å; H191-N193 PolarHBondContact O-N 3.35Å; H191-N193 VanDerWaalsContact O-N 3.14Å; H191-S194 WeakPolarHBondContact O-CB 3.21Å; H191-S194 PolarHBondContact O-N 2.87Å | ||
| 192 | P | 58.3 | Low | 76.2 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 25% | 0.253 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.3 | -172.2 | -19.9 | 29.3 | 0 | 0 | 0 | 114.6 | S194 H589 | P192-S194 PolarHBondContact O-N 2.78Å; P192-H589 WeakPolarHBondContact CB-NE2 3.46Å |
| 193 | N | 58.1 | Low | 76 | Confident | 165 Ų | 165 | 58.6 Ų | 58.6 | 88% | 0.882 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.1 | 177.8 | -68.2 | -23 | 0 | 0 | 0 | 112.5 | H191 N195 | H191-N193 PolarHBondContact O-N 3.35Å; H191-N193 VanDerWaalsContact O-N 3.14Å; N193-N195 PolarHBondContact O-N 2.99Å |
| 194 | S | 58.7 | Low | 75.9 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 21% | 0.21 | 31% | 0.313 | C | S | . | . | trans | -88.7 | 93.4 | 177.6 | -58.7 | 0 | 0 | 0 | 0 | 107.7 | H191 P192 L196 | H191-S194 WeakPolarHBondContact O-CB 3.21Å; H191-S194 PolarHBondContact O-N 2.87Å; P192-S194 PolarHBondContact O-N 2.78Å; S194-L196 WeakPolarHBondContact O-CG 3.49Å; S194-L196 PolarHBondContact O-N 3.27Å | ||
| 195 | N | 60.6 | Low | 75.8 | Confident | 145 Ų | 145 | 62.7 Ų | 62.7 | 78% | 0.775 | 34% | 0.336 | S | S | * | . | trans | -66.7 | 68.6 | 168.5 | -79.6 | -28.8 | 0 | 0 | 0 | 109.7 | N193 | N193-N195 PolarHBondContact O-N 2.99Š| ||
| 196 | L | 62.7 | Low | 75.8 | Confident | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | trans | -74.2 | -40.4 | -171.4 | -62.9 | -177.4 | 0 | 0 | 0 | 111.9 | L162 R166 L184 I187 S194 D198 | L162-L196 HydrophobicContact CD1-CD1 4.36Å; L162-L196 HydrophobicContact CD1-CD2 3.76Å; L162-L196 HydrophobicContact CD2-CD1 4.28Å; R166-L196 PolarHBondContact NE-O 3.37Å; L184-L196 HydrophobicContact CD2-CB 4.35Å; I187-L196 HydrophobicContact CB-CD1 3.9Å; I187-L196 HydrophobicContact CG2-CD1 3.23Å; S194-L196 WeakPolarHBondContact O-CG 3.49Å; S194-L196 PolarHBondContact O-N 3.27Å; L196-D198 PolarHBondContact O-N 2.89Å | ||
| 197 | L | 68.2 | Low | 76.1 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 17% | 0.173 | 33% | 0.328 | C | S | . | . | trans | -84.6 | 88.3 | 170.4 | -74.2 | 86.3 | 0 | 0 | 0 | 109.4 | L184 L199 C225 | L184-L197 VanDerWaalsContact C-CD1 3.45Å; L184-L197 HydrophobicContact CB-CD1 3.43Å; L184-L197 VanDerWaalsContact CB-CD1 3.43Å; L184-L197 HydrophobicContact CB-CG 3.99Å; L184-L197 WeakPolarHBondContact O-CD1 3.37Å; L197-L199 HydrophobicContact CB-CD2 4.21Å; L197-L199 HydrophobicContact CB-CG 4.05Å; L197-L199 HydrophobicContact CD2-CD2 4Å; L197-L199 HydrophobicContact CD2-CG 4.42Å; L197-L199 PolarHBondContact O-N 3.07Å; L197-C225 WeakPolarHBondContact CD2-SG 3.4Å | ||
| 198 | D | 70.1 | Confident | 76.4 | Confident | 119 Ų | 119 | 62 Ų | 62 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | trans | -73.3 | 83.6 | 161.5 | -168.3 | 6.6 | 0 | 0 | 0 | 108.8 | L196 N200 N203 | L196-D198 PolarHBondContact O-N 2.89Å; D198-N200 VanDerWaalsContact C-N 3.34Å; D198-N200 PolarHBondContact O-N 3.31Å; D198-N203 PolarHBondContact O-ND2 3.46Å; D198-N203 VanDerWaalsContact O-ND2 3.09Å | ||
| 199 | L | 76.4 | Confident | 76.8 | Confident | 32 Ų | 32 | 64 Ų | 64 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | trans | -71.5 | 89.6 | 178.3 | -67.1 | -180 | 0 | 0 | 0 | 109.4 | L197 I204 Y229 | L197-L199 HydrophobicContact CB-CD2 4.21Å; L197-L199 HydrophobicContact CB-CG 4.05Å; L197-L199 HydrophobicContact CD2-CD2 4Å; L197-L199 HydrophobicContact CD2-CG 4.42Å; L197-L199 PolarHBondContact O-N 3.07Å; L199-I204 HydrophobicContact CB-CD1 4.43Å; L199-I204 HydrophobicContact CD2-CD1 4.31Å; L199-Y229 HydrophobicContact CB-CD2 3.69Å; L199-Y229 HydrophobicContact CB-CE2 4.28Å; L199-Y229 HydrophobicContact CD1-CD2 4.4Å; L199-Y229 WeakPolarHBondContact O-CE2 3.38Å | ||
| 200 | N | 82.7 | Confident | 77.4 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | trans | -95 | 162.2 | 169.9 | 67 | 49.6 | 0 | 0 | 0 | 111.2 | D198 Q202 N203 I204 | D198-N200 VanDerWaalsContact C-N 3.34Å; D198-N200 PolarHBondContact O-N 3.31Å; N200-Q202 PolarHBondContact O-N 3.48Å; N200-Q202 VanDerWaalsContact O-N 3.12Å; N200-Q202 WeakPolarHBondContact OD1-CB 3.47Å; N200-Q202 PolarHBondContact OD1-N 3.29Å; N200-Q202 VanDerWaalsContact OD1-N 3.08Å; N200-N203 PolarHBondContact ND2-ND2 3.11Å; N200-N203 WeakPolarHBondContact O-CB 3.47Å; N200-N203 PolarHBondContact O-N 2.93Å; N200-N203 VanDerWaalsContact O-N 3.08Å; N200-N203 PolarHBondContact OD1-N 3.44Å; N200-I204 WeakPolarHBondContact O-CG1 3.44Å; N200-I204 PolarHBondContact O-N 3.34Å | ||
| 201 | P | 83 | Confident | 78.3 | Confident | 26 Ų | 26 | 55.3 Ų | 55.3 | 17% | 0.169 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.2 | -28.8 | -179.8 | -28.6 | 35.1 | 0 | 0 | 0 | 115.1 | I204 N205 K232 E236 | P201-I204 PolarHBondContact O-N 3.31Å; P201-N205 PolarHBondContact O-N 2.98Å; P201-N205 PolarHBondContact O-ND2 3.08Å; P201-K232 HydrophobicContact CG-CD 4.02Å; P201-E236 WeakPolarHBondContact CB-OE1 3.37Å; P201-E236 WeakPolarHBondContact CG-OE1 3.46Å |
| 202 | Q | 85 | Confident | 79.1 | Confident | 143 Ų | 143 | 55.4 Ų | 55.4 | 67% | 0.668 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.7 | -43.4 | 178.4 | -63.5 | 179 | -15.1 | 0 | 0 | 110.4 | N200 N205 K206 | N200-Q202 PolarHBondContact O-N 3.48Å; N200-Q202 VanDerWaalsContact O-N 3.12Å; N200-Q202 WeakPolarHBondContact OD1-CB 3.47Å; N200-Q202 PolarHBondContact OD1-N 3.29Å; N200-Q202 VanDerWaalsContact OD1-N 3.08Å; Q202-N205 PolarHBondContact O-N 3.27Å; Q202-K206 WeakPolarHBondContact O-CG 3.47Å; Q202-K206 PolarHBondContact O-N 2.87Å |
| 203 | N | 86.6 | Confident | 80.6 | Confident | 28 Ų | 28 | 60.2 Ų | 60.2 | 15% | 0.15 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 174.3 | -68.6 | -13.7 | 0 | 0 | 0 | 110.4 | I169 D198 N200 N205 K206 L207 | I169-N203 HydrophobicContact CG2-CB 4.39Å; D198-N203 PolarHBondContact O-ND2 3.46Å; D198-N203 VanDerWaalsContact O-ND2 3.09Å; N200-N203 PolarHBondContact ND2-ND2 3.11Å; N200-N203 WeakPolarHBondContact O-CB 3.47Å; N200-N203 PolarHBondContact O-N 2.93Å; N200-N203 VanDerWaalsContact O-N 3.08Å; N200-N203 PolarHBondContact OD1-N 3.44Å; N203-N205 PolarHBondContact O-N 2.84Å; N203-K206 WeakPolarHBondContact O-CB 3.38Å; N203-K206 PolarHBondContact O-N 3.28Å; N203-K206 VanDerWaalsContact O-N 3.12Å; N203-L207 WeakPolarHBondContact O-CG 3.27Å; N203-L207 PolarHBondContact O-N 2.85Å |
| 204 | I | 90 | Very high | 82 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 177.4 | -62.3 | -65.6 | 0 | 0 | 0 | 112.1 | L199 N200 P201 K206 L207 L208 L226 Y229 I240 | L199-I204 HydrophobicContact CB-CD1 4.43Å; L199-I204 HydrophobicContact CD2-CD1 4.31Å; N200-I204 WeakPolarHBondContact O-CG1 3.44Å; N200-I204 PolarHBondContact O-N 3.34Å; P201-I204 PolarHBondContact O-N 3.31Å; I204-K206 VanDerWaalsContact C-N 3.3Å; I204-K206 PolarHBondContact O-N 3.39Å; I204-L207 PolarHBondContact O-N 3.05Å; I204-L208 HydrophobicContact CG2-CD1 4Å; I204-L208 HydrophobicContact CG2-CG 4.37Å; I204-L208 WeakPolarHBondContact O-CB 3.4Å; I204-L208 VanDerWaalsContact O-CG 3.31Å; I204-L208 WeakPolarHBondContact O-CG 3.16Å; I204-L208 PolarHBondContact O-N 3.45Å; I204-L226 HydrophobicContact CD1-CD2 3.7Å; I204-L226 HydrophobicContact CG2-CD2 3.94Å; I204-Y229 HydrophobicContact CD1-CD1 3.76Å; I204-Y229 HydrophobicContact CD1-CD2 3.86Å; I204-Y229 HydrophobicContact CD1-CE1 4.3Å; I204-Y229 HydrophobicContact CD1-CE2 4.42Å; I204-Y229 HydrophobicContact CD1-CG 3.51Å; I204-Y229 HydrophobicContact CG1-CD1 3.81Å; I204-Y229 HydrophobicContact CG1-CD2 3.99Å; I204-Y229 HydrophobicContact CG1-CE1 3.82Å; I204-Y229 HydrophobicContact CG1-CE2 4.03Å; I204-Y229 HydrophobicContact CG1-CG 3.89Å; I204-Y229 HydrophobicContact CG2-CD1 4.47Å; I204-Y229 HydrophobicContact CG2-CE1 4.47Å; I204-I240 HydrophobicContact CG2-CD1 3.92Å; I204-I240 HydrophobicContact CG2-CG1 4.16Å |
| 205 | N | 89 | Confident | 83.6 | Confident | 88 Ų | 88 | 53.6 Ų | 53.6 | 47% | 0.471 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.8 | -35.4 | 177.3 | -81.8 | -68.2 | 0 | 0 | 0 | 113 | P201 Q202 N203 T209 | P201-N205 PolarHBondContact O-N 2.98Å; P201-N205 PolarHBondContact O-ND2 3.08Å; Q202-N205 PolarHBondContact O-N 3.27Å; N203-N205 PolarHBondContact O-N 2.84Å; N205-T209 PolarHBondContact O-N 3.14Å; N205-T209 VanDerWaalsContact O-N 3.15Å; N205-T209 PolarHBondContact O-OG1 2.93Å |
| 206 | K | 87.4 | Confident | 85.2 | Confident | 90 Ų | 90 | 50.4 Ų | 50.4 | 39% | 0.391 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.2 | -46.3 | 173.4 | -68.4 | 173.8 | -177.4 | 176.1 | 0 | 111.2 | A170 Q202 N203 I204 L208 T209 A210 | A170-K206 HydrophobicContact CB-CD 4.37Å; A170-K206 VanDerWaalsContact CB-NZ 3.27Å; Q202-K206 WeakPolarHBondContact O-CG 3.47Å; Q202-K206 PolarHBondContact O-N 2.87Å; N203-K206 WeakPolarHBondContact O-CB 3.38Å; N203-K206 PolarHBondContact O-N 3.28Å; N203-K206 VanDerWaalsContact O-N 3.12Å; I204-K206 VanDerWaalsContact C-N 3.3Å; I204-K206 PolarHBondContact O-N 3.39Å; K206-L208 VanDerWaalsContact C-N 3.33Å; K206-L208 PolarHBondContact O-N 2.89Å; K206-T209 WeakPolarHBondContact O-CA 3.18Å; K206-T209 WeakPolarHBondContact O-CB 3.35Å; K206-T209 PolarHBondContact O-N 3.38Å; K206-A210 PolarHBondContact O-N 3.12Å |
| 207 | L | 92 | Very high | 86.6 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.2 | -43.7 | 176.2 | -66.8 | -173.8 | 0 | 0 | 0 | 112 | I169 V177 V181 N203 I204 T209 A210 L211 I222 L226 | I169-L207 HydrophobicContact CG2-CD2 4.19Å; V177-L207 HydrophobicContact CG1-CD2 3.53Å; V181-L207 HydrophobicContact CG2-CD1 4.43Å; V181-L207 HydrophobicContact CG2-CD2 3.51Å; N203-L207 WeakPolarHBondContact O-CG 3.27Å; N203-L207 PolarHBondContact O-N 2.85Å; I204-L207 PolarHBondContact O-N 3.05Å; L207-T209 PolarHBondContact O-N 2.95Å; L207-A210 PolarHBondContact O-N 2.94Å; L207-L211 WeakPolarHBondContact O-CB 3.5Å; L207-L211 PolarHBondContact O-N 2.69Å; L207-I222 HydrophobicContact CB-CG2 4.01Å; L207-L226 HydrophobicContact CB-CD2 4.43Å; L207-L226 HydrophobicContact CD1-CD2 4.47Å |
| 208 | L | 92.4 | Very high | 87.7 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67 | -21.4 | 175.7 | -70.3 | 173.3 | 0 | 0 | 0 | 113.9 | I204 K206 L211 L226 I240 R243 V244 | I204-L208 HydrophobicContact CG2-CD1 4Å; I204-L208 HydrophobicContact CG2-CG 4.37Å; I204-L208 WeakPolarHBondContact O-CB 3.4Å; I204-L208 VanDerWaalsContact O-CG 3.31Å; I204-L208 WeakPolarHBondContact O-CG 3.16Å; I204-L208 PolarHBondContact O-N 3.45Å; K206-L208 VanDerWaalsContact C-N 3.33Å; K206-L208 PolarHBondContact O-N 2.89Å; L208-L211 HydrophobicContact CD2-CD2 4.36Å; L208-L226 HydrophobicContact CD2-CD1 3.66Å; L208-L226 HydrophobicContact CD2-CD2 4.45Å; L208-L226 HydrophobicContact CG-CD1 4.49Å; L208-I240 HydrophobicContact CD1-CG1 4.08Å; L208-I240 HydrophobicContact CD1-CG2 4.47Å; L208-I240 HydrophobicContact CD2-CG2 4.34Å; L208-R243 HydrophobicContact CD1-CB 4.24Å; L208-R243 HydrophobicContact CD1-CG 4.41Å; L208-R243 HydrophobicContact CD2-CB 3.96Å; L208-R243 PolarHBondContact O-NH2 3.31Å; L208-V244 HydrophobicContact CD2-CG2 4.12Å |
| 209 | T | 90.5 | Very high | 88.9 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 47% | 0.472 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -81.2 | -47.2 | 173.3 | -56.9 | 0 | 0 | 0 | 0 | 109.7 | N205 K206 L207 L211 N212 | N205-T209 PolarHBondContact O-N 3.14Å; N205-T209 VanDerWaalsContact O-N 3.15Å; N205-T209 PolarHBondContact O-OG1 2.93Å; K206-T209 WeakPolarHBondContact O-CA 3.18Å; K206-T209 WeakPolarHBondContact O-CB 3.35Å; K206-T209 PolarHBondContact O-N 3.38Å; L207-T209 PolarHBondContact O-N 2.95Å; T209-L211 VanDerWaalsContact C-N 3.26Å; T209-L211 PolarHBondContact O-N 3.18Å; T209-N212 PolarHBondContact O-N 2.84Å |
| 210 | A | 90.8 | Very high | 89.8 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.8 | -34.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P174 V177 K206 L207 N212 E213 C214 I222 | P174-A210 HydrophobicContact CB-CB 3.98Å; V177-A210 HydrophobicContact CB-CB 4.4Å; V177-A210 HydrophobicContact CG1-CB 4.21Å; K206-A210 PolarHBondContact O-N 3.12Å; L207-A210 PolarHBondContact O-N 2.94Å; A210-N212 PolarHBondContact O-N 3.13Å; A210-E213 PolarHBondContact O-N 3.16Å; A210-C214 PolarHBondContact O-N 3.38Å; A210-C214 PolarHBondContact O-SG 3.18Å; A210-I222 HydrophobicContact CB-CD1 3.94Å |
| 211 | L | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -29.9 | 178.2 | -175.3 | 65.3 | 0 | 0 | 0 | 113.4 | L207 L208 T209 Q219 I222 L223 V244 R247 | L207-L211 WeakPolarHBondContact O-CB 3.5Å; L207-L211 PolarHBondContact O-N 2.69Å; L208-L211 HydrophobicContact CD2-CD2 4.36Å; T209-L211 VanDerWaalsContact C-N 3.26Å; T209-L211 PolarHBondContact O-N 3.18Å; L211-Q219 HydrophobicContact CD1-CB 3.89Å; L211-Q219 HydrophobicContact CD1-CG 3.96Å; L211-Q219 WeakPolarHBondContact O-CG 3.21Å; L211-I222 HydrophobicContact CB-CG2 4.24Å; L211-I222 HydrophobicContact CD1-CB 4.22Å; L211-I222 HydrophobicContact CD1-CG2 4.01Å; L211-L223 HydrophobicContact CD1-CD1 4.4Å; L211-L223 HydrophobicContact CD1-CD2 4.19Å; L211-L223 HydrophobicContact CD1-CG 3.9Å; L211-L223 HydrophobicContact CD2-CD2 4.08Å; L211-V244 HydrophobicContact CD2-CG2 4.46Å; L211-R247 HydrophobicContact CD2-CG 4.08Å; L211-R247 HydrophobicContact CG-CG 4.34Å |
| 212 | N | 87.4 | Confident | 90.9 | Very high | 79 Ų | 79 | 49.9 Ų | 49.9 | 42% | 0.422 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -21.2 | -179.7 | -70 | -37.2 | 0 | 0 | 0 | 113.9 | T209 A210 | T209-N212 PolarHBondContact O-N 2.84Å; A210-N212 PolarHBondContact O-N 3.13Å |
| 213 | E | 88.3 | Confident | 91.4 | Very high | 140 Ų | 140 | 43.1 Ų | 43.1 | 65% | 0.654 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.2 | -2.7 | -170.4 | -66 | 178.8 | -165.8 | 0 | 0 | 112.6 | P174 A210 | P174-E213 HydrophobicContact CB-CB 4.13Å; P174-E213 HydrophobicContact CG-CB 3.65Å; P174-E213 WeakPolarHBondContact CG-OE2 3.47Å; A210-E213 PolarHBondContact O-N 3.16Å |
| 214 | C | 88.5 | Confident | 91.7 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -77.6 | 152.4 | 178.3 | -80.8 | 0 | 0 | 0 | 0 | 113.4 | P174 A210 Q219 I222 | P174-C214 PolarHBondContact O-SG 3.45Å; P174-C214 VanDerWaalsContact O-SG 3.34Å; A210-C214 PolarHBondContact O-N 3.38Å; A210-C214 PolarHBondContact O-SG 3.18Å; C214-Q219 HydrophobicContact CB-CG 3.94Å; C214-Q219 PolarHBondContact O-NE2 2.91Å; C214-I222 HydrophobicContact CB-CD1 4.46Å; C214-I222 VanDerWaalsContact SG-CD1 3.59Å |
| 215 | T | 91.8 | Very high | 91.7 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 29% | 0.288 | 22% | 0.216 | S | C | . | . | trans | -59.8 | 165.7 | 163.7 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | M175 W217 G218 Q219 | M175-T215 HydrophobicContact CE-CG2 4.11Å; T215-W217 VanDerWaalsContact C-N 3.31Å; T215-W217 PolarHBondContact O-N 2.79Å; T215-G218 CarbonylContact O-C 3.56Å; T215-G218 WeakPolarHBondContact O-CA 3.47Å; T215-G218 PolarHBondContact O-N 3.26Å; T215-G218 PolarHBondContact OG1-N 2.56Å; T215-Q219 WeakPolarHBondContact O-CG 3.47Å; T215-Q219 PolarHBondContact O-N 3.1Å | ||
| 216 | E | 94 | Very high | 91.8 | Very high | 78 Ų | 78 | 39.9 Ų | 39.9 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.8 | -44.9 | -178.5 | -49.9 | -171.3 | 136.5 | 0 | 0 | 112 | G218 Q219 I220 H250 N252 V255 | E216-G218 PolarHBondContact O-N 2.88Å; E216-Q219 PolarHBondContact O-N 2.88Å; E216-I220 WeakPolarHBondContact O-CG1 3.4Å; E216-I220 PolarHBondContact O-N 2.85Å; E216-H250 IonicContact OE1-CE1 3.4Å; E216-H250 PolarHBondContact OE1-CE1 2.8Å; E216-H250 VanDerWaalsContact OE1-CE1 3.3Å; E216-N252 WeakPolarHBondContact OE1-CB 3.34Å; E216-N252 PolarHBondContact OE2-ND2 3.15Å; E216-V255 HydrophobicContact CB-CG2 4.13Å |
| 217 | W | 91.2 | Very high | 92 | Very high | 157 Ų | 157 | 36 Ų | 36 | 60% | 0.595 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -59.7 | -44.5 | 173.4 | -66.9 | 105.4 | 0 | 0 | 0 | 112.4 | T215 Q219 I220 F221 | T215-W217 VanDerWaalsContact C-N 3.31Å; T215-W217 PolarHBondContact O-N 2.79Å; W217-Q219 VanDerWaalsContact C-N 3.31Å; W217-Q219 PolarHBondContact O-N 3.39Å; W217-I220 HydrophobicContact CE3-CD1 4.48Å; W217-I220 WeakPolarHBondContact O-CB 3.45Å; W217-I220 PolarHBondContact O-N 3.42Å; W217-F221 HydrophobicContact CB-CE2 4.27Å; W217-F221 HydrophobicContact CB-CZ 4.48Å; W217-F221 VanDerWaalsContact O-CD2 3.29Å; W217-F221 WeakPolarHBondContact O-CD2 3.17Å; W217-F221 VanDerWaalsContact O-CG 3.32Å; W217-F221 WeakPolarHBondContact O-CG 3.14Å; W217-F221 PolarHBondContact O-N 2.63Å |
| 218 | G | 91.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.5 | -36 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | T215 E216 F221 I222 | T215-G218 CarbonylContact O-C 3.56Å; T215-G218 WeakPolarHBondContact O-CA 3.47Å; T215-G218 PolarHBondContact O-N 3.26Å; T215-G218 PolarHBondContact OG1-N 2.56Å; E216-G218 PolarHBondContact O-N 2.88Å; G218-F221 PolarHBondContact O-N 3.14Å; G218-I222 VanDerWaalsContact O-CG1 3.29Å; G218-I222 WeakPolarHBondContact O-CG1 3.38Å; G218-I222 PolarHBondContact O-N 3Å; G218-I222 VanDerWaalsContact O-N 3.07Å |
| 219 | Q | 95.3 | Very high | 91.7 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 173.6 | -68.8 | -180 | 57.1 | 0 | 0 | 111.2 | L211 C214 T215 E216 W217 I222 L223 V255 | L211-Q219 HydrophobicContact CD1-CB 3.89Å; L211-Q219 HydrophobicContact CD1-CG 3.96Å; L211-Q219 WeakPolarHBondContact O-CG 3.21Å; C214-Q219 HydrophobicContact CB-CG 3.94Å; C214-Q219 PolarHBondContact O-NE2 2.91Å; T215-Q219 WeakPolarHBondContact O-CG 3.47Å; T215-Q219 PolarHBondContact O-N 3.1Å; E216-Q219 PolarHBondContact O-N 2.88Å; W217-Q219 VanDerWaalsContact C-N 3.31Å; W217-Q219 PolarHBondContact O-N 3.39Å; Q219-I222 PolarHBondContact O-N 3.13Å; Q219-L223 WeakPolarHBondContact O-CB 3.4Å; Q219-L223 WeakPolarHBondContact O-CD1 3.4Å; Q219-L223 WeakPolarHBondContact O-CG 3.34Å; Q219-L223 PolarHBondContact O-N 2.96Å; Q219-V255 HydrophobicContact CB-CG1 4.3Å; Q219-V255 HydrophobicContact CB-CG2 4.43Å |
| 220 | I | 95.5 | Very high | 91.6 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 9% | 0.092 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61 | -50.6 | 176.6 | -66.2 | 162.4 | 0 | 0 | 0 | 110.5 | E216 W217 I222 L223 D224 A254 V255 | E216-I220 WeakPolarHBondContact O-CG1 3.4Å; E216-I220 PolarHBondContact O-N 2.85Å; W217-I220 HydrophobicContact CE3-CD1 4.48Å; W217-I220 WeakPolarHBondContact O-CB 3.45Å; W217-I220 PolarHBondContact O-N 3.42Å; I220-I222 VanDerWaalsContact C-N 3.3Å; I220-I222 PolarHBondContact O-N 3.3Å; I220-L223 PolarHBondContact O-N 3.01Å; I220-D224 WeakPolarHBondContact O-CB 3.33Å; I220-D224 VanDerWaalsContact O-CG 3.23Å; I220-D224 PolarHBondContact O-N 3.49Å; I220-A254 HydrophobicContact CD1-CB 3.66Å; I220-A254 HydrophobicContact CG1-CB 4.43Å; I220-V255 HydrophobicContact CD1-CG2 4.3Å; I220-V255 HydrophobicContact CG1-CG2 3.97Å |
| 221 | F | 93.7 | Very high | 91.5 | Very high | 67 Ų | 67 | 41.2 Ų | 41.2 | 29% | 0.294 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.8 | -41.4 | 179.2 | -58.1 | -34.4 | 0 | 0 | 0 | 112.5 | A182 W217 G218 C225 | A182-F221 HydrophobicContact CB-CB 4.2Å; A182-F221 HydrophobicContact CB-CD1 4.2Å; A182-F221 HydrophobicContact CB-CD2 3.72Å; A182-F221 HydrophobicContact CB-CE2 4.07Å; A182-F221 HydrophobicContact CB-CG 3.79Å; A182-F221 HydrophobicContact CB-CZ 4.47Å; W217-F221 HydrophobicContact CB-CE2 4.27Å; W217-F221 HydrophobicContact CB-CZ 4.48Å; W217-F221 VanDerWaalsContact O-CD2 3.29Å; W217-F221 WeakPolarHBondContact O-CD2 3.17Å; W217-F221 VanDerWaalsContact O-CG 3.32Å; W217-F221 WeakPolarHBondContact O-CG 3.14Å; W217-F221 PolarHBondContact O-N 2.63Å; G218-F221 PolarHBondContact O-N 3.14Å; F221-C225 WeakPolarHBondContact O-CB 3.37Å; F221-C225 PolarHBondContact O-N 2.9Å |
| 222 | I | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.2 | -47.8 | 176.7 | -69.7 | 170.2 | 0 | 0 | 0 | 110.9 | A178 L207 A210 L211 C214 G218 Q219 I220 D224 C225 L226 | A178-I222 HydrophobicContact CB-CD1 4.32Å; A178-I222 HydrophobicContact CB-CG1 4.48Å; L207-I222 HydrophobicContact CB-CG2 4.01Å; A210-I222 HydrophobicContact CB-CD1 3.94Å; L211-I222 HydrophobicContact CB-CG2 4.24Å; L211-I222 HydrophobicContact CD1-CB 4.22Å; L211-I222 HydrophobicContact CD1-CG2 4.01Å; C214-I222 HydrophobicContact CB-CD1 4.46Å; C214-I222 VanDerWaalsContact SG-CD1 3.59Å; G218-I222 VanDerWaalsContact O-CG1 3.29Å; G218-I222 WeakPolarHBondContact O-CG1 3.38Å; G218-I222 PolarHBondContact O-N 3Å; G218-I222 VanDerWaalsContact O-N 3.07Å; Q219-I222 PolarHBondContact O-N 3.13Å; I220-I222 VanDerWaalsContact C-N 3.3Å; I220-I222 PolarHBondContact O-N 3.3Å; I222-D224 VanDerWaalsContact C-N 3.31Å; I222-D224 PolarHBondContact O-N 3.16Å; I222-C225 WeakPolarHBondContact O-CB 3.33Å; I222-C225 PolarHBondContact O-N 3.36Å; I222-L226 HydrophobicContact CG2-CD1 3.93Å; I222-L226 HydrophobicContact CG2-CG 4.21Å; I222-L226 WeakPolarHBondContact O-CB 3.15Å; I222-L226 VanDerWaalsContact O-CG 3.26Å; I222-L226 WeakPolarHBondContact O-CG 3.42Å; I222-L226 PolarHBondContact O-N 3.09Å |
| 223 | L | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 179.9 | -71.9 | 167 | 0 | 0 | 0 | 111.8 | L211 Q219 I220 L226 S227 V244 V255 A259 V262 | L211-L223 HydrophobicContact CD1-CD1 4.4Å; L211-L223 HydrophobicContact CD1-CD2 4.19Å; L211-L223 HydrophobicContact CD1-CG 3.9Å; L211-L223 HydrophobicContact CD2-CD2 4.08Å; Q219-L223 WeakPolarHBondContact O-CB 3.4Å; Q219-L223 WeakPolarHBondContact O-CD1 3.4Å; Q219-L223 WeakPolarHBondContact O-CG 3.34Å; Q219-L223 PolarHBondContact O-N 2.96Å; I220-L223 PolarHBondContact O-N 3.01Å; L223-L226 HydrophobicContact CD2-CD1 4.43Å; L223-L226 PolarHBondContact O-N 3.3Å; L223-S227 PolarHBondContact O-N 3.17Å; L223-V244 HydrophobicContact CD2-CG1 3.79Å; L223-V244 HydrophobicContact CD2-CG2 4.12Å; L223-V255 HydrophobicContact CD1-CG1 4.16Å; L223-A259 HydrophobicContact CD1-CB 4.21Å; L223-V262 HydrophobicContact CB-CG2 4.3Å; L223-V262 HydrophobicContact CD2-CG2 4.28Å; L223-V262 WeakPolarHBondContact O-CG2 3.28Å |
| 224 | D | 91.8 | Very high | 91.3 | Very high | 50 Ų | 50 | 45.1 Ų | 45.1 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 177.3 | -72.1 | -1.9 | 0 | 0 | 0 | 111.1 | I220 I222 S227 S258 K261 | I220-D224 WeakPolarHBondContact O-CB 3.33Å; I220-D224 VanDerWaalsContact O-CG 3.23Å; I220-D224 PolarHBondContact O-N 3.49Å; I222-D224 VanDerWaalsContact C-N 3.31Å; I222-D224 PolarHBondContact O-N 3.16Å; D224-S227 WeakPolarHBondContact O-CB 3.29Å; D224-S227 PolarHBondContact O-N 2.79Å; D224-S227 PolarHBondContact O-OG 3.09Å; D224-S258 PolarHBondContact OD1-OG 3.2Å; D224-K261 VanDerWaalsContact CG-NZ 3.27Å; D224-K261 VanDerWaalsContact OD1-CE 3.32Å; D224-K261 WeakPolarHBondContact OD1-CE 3.19Å; D224-K261 IonicContact OD1-NZ 3.25Å; D224-K261 PolarHBondContact OD1-NZ 3.44Å; D224-K261 IonicContact OD2-NZ 3.75Å |
| 225 | C | 90.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -45.7 | 171.9 | 176.7 | 0 | 0 | 0 | 0 | 112.5 | V181 L197 F221 I222 S227 N228 | V181-C225 HydrophobicContact CG1-CB 3.34Å; L197-C225 WeakPolarHBondContact CD2-SG 3.4Å; F221-C225 WeakPolarHBondContact O-CB 3.37Å; F221-C225 PolarHBondContact O-N 2.9Å; I222-C225 WeakPolarHBondContact O-CB 3.33Å; I222-C225 PolarHBondContact O-N 3.36Å; C225-S227 PolarHBondContact O-N 3.25Å; C225-N228 WeakPolarHBondContact O-CB 3.27Å; C225-N228 PolarHBondContact O-N 3.46Å |
| 226 | L | 92.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.6 | -34 | 175.2 | -71 | 174.3 | 0 | 0 | 0 | 111.8 | I204 L207 L208 I222 L223 N228 Y229 V244 V262 | I204-L226 HydrophobicContact CD1-CD2 3.7Å; I204-L226 HydrophobicContact CG2-CD2 3.94Å; L207-L226 HydrophobicContact CB-CD2 4.43Å; L207-L226 HydrophobicContact CD1-CD2 4.47Å; L208-L226 HydrophobicContact CD2-CD1 3.66Å; L208-L226 HydrophobicContact CD2-CD2 4.45Å; L208-L226 HydrophobicContact CG-CD1 4.49Å; I222-L226 HydrophobicContact CG2-CD1 3.93Å; I222-L226 HydrophobicContact CG2-CG 4.21Å; I222-L226 WeakPolarHBondContact O-CB 3.15Å; I222-L226 VanDerWaalsContact O-CG 3.26Å; I222-L226 WeakPolarHBondContact O-CG 3.42Å; I222-L226 PolarHBondContact O-N 3.09Å; L223-L226 HydrophobicContact CD2-CD1 4.43Å; L223-L226 PolarHBondContact O-N 3.3Å; L226-N228 PolarHBondContact O-N 3.04Å; L226-Y229 WeakPolarHBondContact O-CB 3.37Å; L226-Y229 PolarHBondContact O-N 3.29Å; L226-Y229 VanDerWaalsContact O-N 3.1Å; L226-V244 HydrophobicContact CD1-CG2 4.26Å; L226-V262 HydrophobicContact CB-CG2 4.32Å |
| 227 | S | 91.1 | Very high | 91.3 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 6% | 0.056 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.7 | -20.5 | 176.9 | 81.8 | 0 | 0 | 0 | 0 | 113.1 | L223 D224 C225 K265 | L223-S227 PolarHBondContact O-N 3.17Å; D224-S227 WeakPolarHBondContact O-CB 3.29Å; D224-S227 PolarHBondContact O-N 2.79Å; D224-S227 PolarHBondContact O-OG 3.09Å; C225-S227 PolarHBondContact O-N 3.25Å; S227-K265 WeakPolarHBondContact O-CD 3.37Å; S227-K265 WeakPolarHBondContact O-CE 3.29Å; S227-K265 PolarHBondContact O-NZ 3.27Å |
| 228 | N | 87.3 | Confident | 91.4 | Very high | 66 Ų | 66 | 45.6 Ų | 45.6 | 35% | 0.353 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -87.7 | -14.7 | 175 | -63.6 | -38 | 0 | 0 | 0 | 112.9 | C225 L226 K591 | C225-N228 WeakPolarHBondContact O-CB 3.27Å; C225-N228 PolarHBondContact O-N 3.46Å; L226-N228 PolarHBondContact O-N 3.04Å; N228-K591 PolarHBondContact OD1-NZ 3.4Å |
| 229 | Y | 89.9 | Confident | 91.5 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 5% | 0.051 | 23% | 0.234 | C | C | . | . | trans | -70.5 | 144.9 | 178 | -175.2 | -122.9 | 0 | 0 | 0 | 111.9 | L199 I204 L226 P231 E236 I240 K265 F266 | L199-Y229 HydrophobicContact CB-CD2 3.69Å; L199-Y229 HydrophobicContact CB-CE2 4.28Å; L199-Y229 HydrophobicContact CD1-CD2 4.4Å; L199-Y229 WeakPolarHBondContact O-CE2 3.38Å; I204-Y229 HydrophobicContact CD1-CD1 3.76Å; I204-Y229 HydrophobicContact CD1-CD2 3.86Å; I204-Y229 HydrophobicContact CD1-CE1 4.3Å; I204-Y229 HydrophobicContact CD1-CE2 4.42Å; I204-Y229 HydrophobicContact CD1-CG 3.51Å; I204-Y229 HydrophobicContact CG1-CD1 3.81Å; I204-Y229 HydrophobicContact CG1-CD2 3.99Å; I204-Y229 HydrophobicContact CG1-CE1 3.82Å; I204-Y229 HydrophobicContact CG1-CE2 4.03Å; I204-Y229 HydrophobicContact CG1-CG 3.89Å; I204-Y229 HydrophobicContact CG2-CD1 4.47Å; I204-Y229 HydrophobicContact CG2-CE1 4.47Å; L226-Y229 WeakPolarHBondContact O-CB 3.37Å; L226-Y229 PolarHBondContact O-N 3.29Å; L226-Y229 VanDerWaalsContact O-N 3.1Å; Y229-P231 HydrophobicContact CD1-CG 4.17Å; Y229-P231 HydrophobicContact CE1-CB 4.35Å; Y229-P231 HydrophobicContact CE1-CG 4.25Å; Y229-E236 PolarHBondContact OH-OE1 2.85Å; Y229-E236 PolarHBondContact OH-OE2 3.32Å; Y229-I240 HydrophobicContact CD1-CD1 3.92Å; Y229-I240 HydrophobicContact CE1-CD1 3.85Å; Y229-K265 PolarHBondContact O-NZ 2.97Å; Y229-F266 HydrophobicContact CD1-CZ 4.4Å | ||
| 230 | N | 88 | Confident | 91.5 | Very high | 103 Ų | 103 | 48 Ų | 48 | 55% | 0.551 | 23% | 0.233 | S | C | * | . | trans | -112.9 | 104.3 | 170.1 | -72.3 | -18.5 | 0 | 0 | 0 | 108.4 | K265 | N230-K265 PolarHBondContact OD1-NZ 3.14Š| ||
| 231 | P | 89.3 | Confident | 91.5 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | trans | -53.4 | 147.9 | 173.2 | -25.9 | 33.5 | 0 | 0 | 0 | 112.6 | Y229 E236 A237 I240 F266 L269 | Y229-P231 HydrophobicContact CD1-CG 4.17Å; Y229-P231 HydrophobicContact CE1-CB 4.35Å; Y229-P231 HydrophobicContact CE1-CG 4.25Å; P231-E236 HydrophobicContact CB-CB 4.34Å; P231-E236 HydrophobicContact CB-CG 4.28Å; P231-A237 HydrophobicContact CB-CB 3.87Å; P231-A237 HydrophobicContact CG-CB 3.92Å; P231-I240 HydrophobicContact CG-CD1 4.14Å; P231-F266 HydrophobicContact CG-CD1 3.9Å; P231-F266 HydrophobicContact CG-CE1 3.35Å; P231-F266 HydrophobicContact CG-CE2 4.22Å; P231-F266 HydrophobicContact CG-CZ 3.54Å; P231-L269 HydrophobicContact CB-CD1 4.37Å; P231-L269 HydrophobicContact CG-CD1 3.88Å | ||
| 232 | K | 86.4 | Confident | 91.5 | Very high | 156 Ų | 156 | 48.6 Ų | 48.6 | 68% | 0.678 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -71.6 | -36.6 | -179.3 | -65.7 | 175 | 173.1 | -173.2 | 0 | 112.9 | P201 E236 | P201-K232 HydrophobicContact CG-CD 4.02Å; K232-E236 VanDerWaalsContact CB-OE2 3.29Å; K232-E236 WeakPolarHBondContact CB-OE2 3.44Å; K232-E236 VanDerWaalsContact CG-OE2 3.32Å; K232-E236 WeakPolarHBondContact CG-OE2 3.44Å; K232-E236 PolarHBondContact N-OE2 2.62Å |
| 233 | D | 88.5 | Confident | 91.6 | Very high | 78 Ų | 78 | 53 Ų | 53 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -149.9 | 170.2 | -178.6 | 66.7 | 23.1 | 0 | 0 | 0 | 111.5 | R235 E236 A237 | D233-R235 PolarHBondContact O-N 2.84Å; D233-R235 WeakPolarHBondContact OD1-CA 3.26Å; D233-R235 WeakPolarHBondContact OD1-CB 3.44Å; D233-R235 PolarHBondContact OD1-N 2.95Å; D233-R235 VanDerWaalsContact OD1-N 3.07Å; D233-E236 PolarHBondContact O-N 3.11Å; D233-E236 WeakPolarHBondContact OD1-CB 2.95Å; D233-E236 PolarHBondContact OD1-N 2.85Å; D233-A237 PolarHBondContact O-N 2.82Å |
| 234 | D | 89.4 | Confident | 91.6 | Very high | 68 Ų | 68 | 53 Ų | 53 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.7 | -28.9 | -180 | -50.7 | 0.2 | 0 | 0 | 0 | 112.2 | Q238 P271 | D234-Q238 VanDerWaalsContact O-CB 3.28Å; D234-Q238 WeakPolarHBondContact O-CB 3.47Å; D234-Q238 PolarHBondContact O-N 3.12Å; D234-P271 WeakPolarHBondContact OD2-CD 3.26Å; D234-P271 VanDerWaalsContact OD2-CG 3.29Å; D234-P271 WeakPolarHBondContact OD2-CG 3.41Å |
| 235 | R | 89.7 | Confident | 91.8 | Very high | 207 Ų | 207 | 51.6 Ų | 51.6 | 78% | 0.781 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -73.4 | -42.9 | -178.5 | -62.4 | 178.4 | 179.4 | 178.8 | 1.2 | 110.9 | D233 Q238 S239 | D233-R235 PolarHBondContact O-N 2.84Å; D233-R235 WeakPolarHBondContact OD1-CA 3.26Å; D233-R235 WeakPolarHBondContact OD1-CB 3.44Å; D233-R235 PolarHBondContact OD1-N 2.95Å; D233-R235 VanDerWaalsContact OD1-N 3.07Å; R235-Q238 PolarHBondContact O-N 3.34Å; R235-S239 WeakPolarHBondContact O-CB 3.4Å; R235-S239 PolarHBondContact O-N 2.94Å |
| 236 | E | 92.7 | Very high | 92.1 | Very high | 33 Ų | 33 | 55 Ų | 55 | 15% | 0.154 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 173.2 | -175.7 | 171.4 | -133.7 | 0 | 0 | 110.3 | P201 Y229 P231 K232 D233 Q238 S239 I240 | P201-E236 WeakPolarHBondContact CB-OE1 3.37Å; P201-E236 WeakPolarHBondContact CG-OE1 3.46Å; Y229-E236 PolarHBondContact OH-OE1 2.85Å; Y229-E236 PolarHBondContact OH-OE2 3.32Å; P231-E236 HydrophobicContact CB-CB 4.34Å; P231-E236 HydrophobicContact CB-CG 4.28Å; K232-E236 VanDerWaalsContact CB-OE2 3.29Å; K232-E236 WeakPolarHBondContact CB-OE2 3.44Å; K232-E236 VanDerWaalsContact CG-OE2 3.32Å; K232-E236 WeakPolarHBondContact CG-OE2 3.44Å; K232-E236 PolarHBondContact N-OE2 2.62Å; D233-E236 PolarHBondContact O-N 3.11Å; D233-E236 WeakPolarHBondContact OD1-CB 2.95Å; D233-E236 PolarHBondContact OD1-N 2.85Å; E236-Q238 VanDerWaalsContact C-N 3.33Å; E236-Q238 PolarHBondContact O-N 3.09Å; E236-S239 PolarHBondContact O-N 2.85Å; E236-I240 HydrophobicContact CG-CD1 3.91Å; E236-I240 VanDerWaalsContact O-CG1 3.28Å; E236-I240 WeakPolarHBondContact O-CG1 3.39Å; E236-I240 PolarHBondContact O-N 2.87Å |
| 237 | A | 92.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.1 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | P231 D233 I240 C241 F266 L269 L270 | P231-A237 HydrophobicContact CB-CB 3.87Å; P231-A237 HydrophobicContact CG-CB 3.92Å; D233-A237 PolarHBondContact O-N 2.82Å; A237-I240 PolarHBondContact O-N 2.89Å; A237-C241 PolarHBondContact O-N 2.89Å; A237-C241 PolarHBondContact O-SG 2.89Å; A237-F266 HydrophobicContact CB-CD1 4.34Å; A237-L269 HydrophobicContact CB-CB 4.22Å; A237-L270 HydrophobicContact CB-CD2 4.1Å |
| 238 | Q | 93.7 | Very high | 92.5 | Very high | 62 Ų | 62 | 56.8 Ų | 56.8 | 29% | 0.29 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 175.4 | 175.3 | 172.3 | -15.5 | 0 | 0 | 111.5 | D234 R235 E236 I240 C241 E242 L270 Y276 | D234-Q238 VanDerWaalsContact O-CB 3.28Å; D234-Q238 WeakPolarHBondContact O-CB 3.47Å; D234-Q238 PolarHBondContact O-N 3.12Å; R235-Q238 PolarHBondContact O-N 3.34Å; E236-Q238 VanDerWaalsContact C-N 3.33Å; E236-Q238 PolarHBondContact O-N 3.09Å; Q238-I240 VanDerWaalsContact C-N 3.31Å; Q238-I240 PolarHBondContact O-N 2.84Å; Q238-C241 WeakPolarHBondContact O-CB 3.21Å; Q238-C241 PolarHBondContact O-N 2.84Å; Q238-C241 VanDerWaalsContact O-N 3.12Å; Q238-E242 HydrophobicContact CG-CG 4.47Å; Q238-E242 PolarHBondContact NE2-OE1 3.42Å; Q238-E242 WeakPolarHBondContact O-CG 3.4Å; Q238-E242 PolarHBondContact O-N 3.15Å; Q238-L270 HydrophobicContact CB-CD2 4Å; Q238-Y276 HydrophobicContact CB-CD1 4.45Å; Q238-Y276 HydrophobicContact CB-CE1 4.32Å; Q238-Y276 HydrophobicContact CG-CD1 3.78Å; Q238-Y276 HydrophobicContact CG-CD2 4.19Å; Q238-Y276 HydrophobicContact CG-CE1 3.7Å; Q238-Y276 HydrophobicContact CG-CE2 4.12Å; Q238-Y276 HydrophobicContact CG-CG 4.05Å |
| 239 | S | 93.2 | Very high | 92.9 | Very high | 58 Ų | 58 | 59 Ų | 59 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.5 | -41.5 | -179.7 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | R235 E236 E242 R243 | R235-S239 WeakPolarHBondContact O-CB 3.4Å; R235-S239 PolarHBondContact O-N 2.94Å; E236-S239 PolarHBondContact O-N 2.85Å; S239-E242 PolarHBondContact O-N 3.09Å; S239-R243 WeakPolarHBondContact O-CG 3.4Å; S239-R243 PolarHBondContact O-N 2.92Å |
| 240 | I | 94.7 | Very high | 93.1 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 175.7 | -63.7 | 165.2 | 0 | 0 | 0 | 110.2 | I204 L208 Y229 P231 E236 A237 Q238 E242 R243 V244 F266 | I204-I240 HydrophobicContact CG2-CD1 3.92Å; I204-I240 HydrophobicContact CG2-CG1 4.16Å; L208-I240 HydrophobicContact CD1-CG1 4.08Å; L208-I240 HydrophobicContact CD1-CG2 4.47Å; L208-I240 HydrophobicContact CD2-CG2 4.34Å; Y229-I240 HydrophobicContact CD1-CD1 3.92Å; Y229-I240 HydrophobicContact CE1-CD1 3.85Å; P231-I240 HydrophobicContact CG-CD1 4.14Å; E236-I240 HydrophobicContact CG-CD1 3.91Å; E236-I240 VanDerWaalsContact O-CG1 3.28Å; E236-I240 WeakPolarHBondContact O-CG1 3.39Å; E236-I240 PolarHBondContact O-N 2.87Å; A237-I240 PolarHBondContact O-N 2.89Å; Q238-I240 VanDerWaalsContact C-N 3.31Å; Q238-I240 PolarHBondContact O-N 2.84Å; I240-E242 VanDerWaalsContact C-N 3.31Å; I240-E242 PolarHBondContact O-N 2.85Å; I240-R243 PolarHBondContact O-N 2.81Å; I240-R243 VanDerWaalsContact O-N 3.14Å; I240-V244 HydrophobicContact CG2-CG2 4.22Å; I240-V244 WeakPolarHBondContact O-CG2 3.42Å; I240-V244 PolarHBondContact O-N 2.96Å; I240-F266 HydrophobicContact CB-CD1 4.21Å; I240-F266 HydrophobicContact CB-CE1 3.77Å; I240-F266 HydrophobicContact CD1-CE1 3.72Å; I240-F266 HydrophobicContact CD1-CZ 4.41Å; I240-F266 HydrophobicContact CG1-CE1 4.34Å; I240-F266 HydrophobicContact CG2-CD1 4.1Å; I240-F266 HydrophobicContact CG2-CE1 3.5Å; I240-F266 VanDerWaalsContact CG2-CE1 3.5Å; I240-F266 HydrophobicContact CG2-CZ 4.33Å |
| 241 | C | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 177.2 | -69.1 | 0 | 0 | 0 | 0 | 112 | A237 Q238 R243 V244 T245 L263 F266 Y276 L280 | A237-C241 PolarHBondContact O-N 2.89Å; A237-C241 PolarHBondContact O-SG 2.89Å; Q238-C241 WeakPolarHBondContact O-CB 3.21Å; Q238-C241 PolarHBondContact O-N 2.84Å; Q238-C241 VanDerWaalsContact O-N 3.12Å; C241-R243 VanDerWaalsContact C-N 3.28Å; C241-R243 PolarHBondContact O-N 2.86Å; C241-V244 PolarHBondContact O-N 3.43Å; C241-T245 WeakPolarHBondContact O-CB 3.3Å; C241-T245 PolarHBondContact O-N 2.96Å; C241-T245 PolarHBondContact O-OG1 3.36Å; C241-L263 HydrophobicContact CB-CD2 3.73Å; C241-F266 VanDerWaalsContact SG-CB 3.52Å; C241-Y276 HydrophobicContact CB-CE1 4.2Å; C241-Y276 WeakPolarHBondContact CB-OH 3.49Å; C241-L280 HydrophobicContact CB-CD2 4.14Å |
| 242 | E | 94.6 | Very high | 93.6 | Very high | 96 Ų | 96 | 61.4 Ų | 61.4 | 45% | 0.449 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.8 | -38.6 | 177.2 | -71.8 | 175 | -177.9 | 0 | 0 | 111.7 | Q238 S239 I240 P246 Y276 | Q238-E242 HydrophobicContact CG-CG 4.47Å; Q238-E242 PolarHBondContact NE2-OE1 3.42Å; Q238-E242 WeakPolarHBondContact O-CG 3.4Å; Q238-E242 PolarHBondContact O-N 3.15Å; S239-E242 PolarHBondContact O-N 3.09Å; I240-E242 VanDerWaalsContact C-N 3.31Å; I240-E242 PolarHBondContact O-N 2.85Å; E242-P246 WeakPolarHBondContact O-CD 3.43Å; E242-Y276 HydrophobicContact CG-CE2 3.68Å; E242-Y276 VanDerWaalsContact CG-OH 3.28Å; E242-Y276 WeakPolarHBondContact CG-OH 3.38Å; E242-Y276 PolarHBondContact N-OH 3Å |
| 243 | R | 95.4 | Very high | 94 | Very high | 92 Ų | 92 | 55.8 Ų | 55.8 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -76.1 | -28.9 | 178.7 | -67.3 | -70.9 | -64.2 | -111 | -4.9 | 113.6 | L208 S239 I240 C241 P246 | L208-R243 HydrophobicContact CD1-CB 4.24Å; L208-R243 HydrophobicContact CD1-CG 4.41Å; L208-R243 HydrophobicContact CD2-CB 3.96Å; L208-R243 PolarHBondContact O-NH2 3.31Å; S239-R243 WeakPolarHBondContact O-CG 3.4Å; S239-R243 PolarHBondContact O-N 2.92Å; I240-R243 PolarHBondContact O-N 2.81Å; I240-R243 VanDerWaalsContact O-N 3.14Å; C241-R243 VanDerWaalsContact C-N 3.28Å; C241-R243 PolarHBondContact O-N 2.86Å; R243-P246 WeakPolarHBondContact O-CD 3.32Å |
| 244 | V | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -82.7 | -32.5 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 112 | L208 L211 L223 L226 I240 C241 P246 R247 A259 V262 L263 | L208-V244 HydrophobicContact CD2-CG2 4.12Å; L211-V244 HydrophobicContact CD2-CG2 4.46Å; L223-V244 HydrophobicContact CD2-CG1 3.79Å; L223-V244 HydrophobicContact CD2-CG2 4.12Å; L226-V244 HydrophobicContact CD1-CG2 4.26Å; I240-V244 HydrophobicContact CG2-CG2 4.22Å; I240-V244 WeakPolarHBondContact O-CG2 3.42Å; I240-V244 PolarHBondContact O-N 2.96Å; C241-V244 PolarHBondContact O-N 3.43Å; V244-P246 VanDerWaalsContact C-N 3.34Å; V244-P246 VanDerWaalsContact O-N 3.13Å; V244-R247 VanDerWaalsContact O-CB 3.25Å; V244-R247 WeakPolarHBondContact O-CB 3.47Å; V244-R247 WeakPolarHBondContact O-CG 3.24Å; V244-R247 PolarHBondContact O-N 3.37Å; V244-A259 HydrophobicContact CG1-CB 3.98Å; V244-V262 HydrophobicContact CG1-CB 4.41Å; V244-V262 HydrophobicContact CG1-CG1 4.44Å; V244-V262 HydrophobicContact CG2-CG1 4.27Å; V244-L263 HydrophobicContact CB-CD2 4.28Å; V244-L263 HydrophobicContact CG1-CD1 4.48Å; V244-L263 HydrophobicContact CG1-CD2 4.18Å; V244-L263 HydrophobicContact CG1-CG 4.11Å |
| 245 | T | 96.6 | Very high | 94.6 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 13% | 0.129 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -47.7 | -42.2 | -176.2 | -66.3 | 0 | 0 | 0 | 0 | 114.7 | C241 R247 L248 K283 | C241-T245 WeakPolarHBondContact O-CB 3.3Å; C241-T245 PolarHBondContact O-N 2.96Å; C241-T245 PolarHBondContact O-OG1 3.36Å; T245-R247 PolarHBondContact O-N 3.03Å; T245-R247 VanDerWaalsContact O-N 3.11Å; T245-L248 HydrophobicContact CG2-CD1 4.35Å; T245-L248 VanDerWaalsContact O-CB 3.23Å; T245-L248 WeakPolarHBondContact O-CB 3.35Å; T245-L248 WeakPolarHBondContact O-CG 3.26Å; T245-L248 PolarHBondContact O-N 3.37Å; T245-K283 HydrophobicContact CG2-CD 3.91Å |
| 246 | P | 96 | Very high | 95 | Very high | 72 Ų | 72 | 41.2 Ų | 41.2 | 47% | 0.468 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -59 | -23.4 | 178.1 | -26.1 | 35.9 | 0 | 0 | 0 | 114.7 | E242 R243 V244 L248 S249 | E242-P246 WeakPolarHBondContact O-CD 3.43Å; R243-P246 WeakPolarHBondContact O-CD 3.32Å; V244-P246 VanDerWaalsContact C-N 3.34Å; V244-P246 VanDerWaalsContact O-N 3.13Å; P246-L248 PolarHBondContact O-N 2.78Å; P246-S249 PolarHBondContact O-N 3.12Å |
| 247 | R | 96 | Very high | 95.2 | Very high | 40 Ų | 40 | 40.2 Ų | 40.2 | 15% | 0.151 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -70.5 | -16.4 | 177.7 | -57.7 | -58.2 | 104.3 | -171.9 | 6.7 | 113.1 | L211 V244 T245 S249 H250 V255 A259 | L211-R247 HydrophobicContact CD2-CG 4.08Å; L211-R247 HydrophobicContact CG-CG 4.34Å; V244-R247 VanDerWaalsContact O-CB 3.25Å; V244-R247 WeakPolarHBondContact O-CB 3.47Å; V244-R247 WeakPolarHBondContact O-CG 3.24Å; V244-R247 PolarHBondContact O-N 3.37Å; T245-R247 PolarHBondContact O-N 3.03Å; T245-R247 VanDerWaalsContact O-N 3.11Å; R247-S249 PolarHBondContact O-N 2.93Å; R247-H250 WeakPolarHBondContact O-CB 3.49Å; R247-H250 PolarHBondContact O-N 3.43Å; R247-V255 HydrophobicContact CB-CG1 4.29Å; R247-A259 HydrophobicContact CB-CB 3.81Å |
| 248 | L | 96.7 | Very high | 95.5 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -64.3 | -24.9 | 175.9 | -71 | 178.1 | 0 | 0 | 0 | 113.4 | T245 P246 A259 V260 L263 L284 P287 | T245-L248 HydrophobicContact CG2-CD1 4.35Å; T245-L248 VanDerWaalsContact O-CB 3.23Å; T245-L248 WeakPolarHBondContact O-CB 3.35Å; T245-L248 WeakPolarHBondContact O-CG 3.26Å; T245-L248 PolarHBondContact O-N 3.37Å; P246-L248 PolarHBondContact O-N 2.78Å; L248-A259 HydrophobicContact CD2-CB 4.16Å; L248-V260 HydrophobicContact CD2-CG2 3.61Å; L248-L263 HydrophobicContact CD1-CD1 3.67Å; L248-L263 HydrophobicContact CD2-CD1 3.93Å; L248-L263 HydrophobicContact CG-CD1 3.91Å; L248-L284 HydrophobicContact CD1-CD2 4.04Å; L248-L284 HydrophobicContact CD2-CD2 4.05Å; L248-P287 HydrophobicContact CB-CB 4.15Å; L248-P287 HydrophobicContact CB-CG 3.6Å; L248-P287 HydrophobicContact CD1-CG 4.21Å; L248-P287 HydrophobicContact CD2-CB 4.35Å; L248-P287 HydrophobicContact CD2-CG 4.31Å; L248-P287 HydrophobicContact CG-CG 4.27Å; L248-P287 WeakPolarHBondContact O-CB 3.19Å |
| 249 | S | 94.1 | Very high | 95.7 | Very high | 112 Ų | 112 | 37.6 Ų | 37.6 | 78% | 0.783 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -96.5 | 15.3 | 178.5 | -53.6 | 0 | 0 | 0 | 0 | 113 | P246 R247 | P246-S249 PolarHBondContact O-N 3.12Å; R247-S249 PolarHBondContact O-N 2.93Å |
| 250 | H | 95.5 | Very high | 95.9 | Very high | 42 Ų | 42 | 34.9 Ų | 34.9 | 19% | 0.194 | 21% | 0.208 | C | C | . | . | trans | -72.3 | 148.5 | -178.9 | -164.2 | -87.4 | 0 | 0 | 0 | 111.5 | E216 R247 N252 V255 V256 | E216-H250 IonicContact OE1-CE1 3.4Å; E216-H250 PolarHBondContact OE1-CE1 2.8Å; E216-H250 VanDerWaalsContact OE1-CE1 3.3Å; R247-H250 WeakPolarHBondContact O-CB 3.49Å; R247-H250 PolarHBondContact O-N 3.43Å; H250-N252 PolarHBondContact ND1-N 3.04Å; H250-N252 VanDerWaalsContact ND1-N 3.13Å; H250-V255 HydrophobicContact CB-CB 4.22Å; H250-V255 HydrophobicContact CB-CG1 3.92Å; H250-V256 HydrophobicContact CB-CG2 4.23Å; H250-V256 VanDerWaalsContact O-CG2 3.32Å; H250-V256 WeakPolarHBondContact O-CG2 3.36Å | ||
| 251 | A | 92.8 | Very high | 96 | Very high | 98 Ų | 98 | 35.6 Ų | 35.6 | 81% | 0.81 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -68 | -40.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S253 | A251-S253 PolarHBondContact O-N 3.42Š|
| 252 | N | 93.8 | Very high | 96 | Very high | 44 Ų | 44 | 35.6 Ų | 35.6 | 24% | 0.235 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -75.8 | 118.7 | 177.7 | -173.4 | -32.2 | 0 | 0 | 0 | 112.1 | E216 H250 A254 V255 V256 | E216-N252 WeakPolarHBondContact OE1-CB 3.34Å; E216-N252 PolarHBondContact OE2-ND2 3.15Å; H250-N252 PolarHBondContact ND1-N 3.04Å; H250-N252 VanDerWaalsContact ND1-N 3.13Å; N252-A254 VanDerWaalsContact C-N 3.27Å; N252-A254 PolarHBondContact O-N 2.9Å; N252-A254 WeakPolarHBondContact OD1-CB 3.46Å; N252-A254 PolarHBondContact OD1-N 2.86Å; N252-V255 HydrophobicContact CB-CG2 4.1Å; N252-V255 WeakPolarHBondContact O-CB 3.34Å; N252-V255 PolarHBondContact O-N 2.82Å; N252-V256 PolarHBondContact O-N 3.36Å |
| 253 | S | 95.1 | Very high | 96.2 | Very high | 37 Ų | 37 | 31 Ų | 31 | 26% | 0.259 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -57.7 | -31.9 | 179.7 | -56.5 | 0 | 0 | 0 | 0 | 114.5 | A251 V256 L257 | A251-S253 PolarHBondContact O-N 3.42Å; S253-V256 PolarHBondContact O-N 2.8Å; S253-L257 PolarHBondContact O-N 2.86Å |
| 254 | A | 95.2 | Very high | 96.2 | Very high | 42 Ų | 42 | 26.7 Ų | 26.7 | 35% | 0.347 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -67.5 | -41.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I220 N252 V256 L257 S258 | I220-A254 HydrophobicContact CD1-CB 3.66Å; I220-A254 HydrophobicContact CG1-CB 4.43Å; N252-A254 VanDerWaalsContact C-N 3.27Å; N252-A254 PolarHBondContact O-N 2.9Å; N252-A254 WeakPolarHBondContact OD1-CB 3.46Å; N252-A254 PolarHBondContact OD1-N 2.86Å; A254-V256 VanDerWaalsContact C-N 3.29Å; A254-V256 PolarHBondContact O-N 2.83Å; A254-L257 PolarHBondContact O-N 3.3Å; A254-S258 PolarHBondContact O-N 2.87Å; A254-S258 PolarHBondContact O-OG 2.82Å |
| 255 | V | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 174 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | E216 Q219 I220 L223 R247 H250 N252 S258 A259 | E216-V255 HydrophobicContact CB-CG2 4.13Å; Q219-V255 HydrophobicContact CB-CG1 4.3Å; Q219-V255 HydrophobicContact CB-CG2 4.43Å; I220-V255 HydrophobicContact CD1-CG2 4.3Å; I220-V255 HydrophobicContact CG1-CG2 3.97Å; L223-V255 HydrophobicContact CD1-CG1 4.16Å; R247-V255 HydrophobicContact CB-CG1 4.29Å; H250-V255 HydrophobicContact CB-CB 4.22Å; H250-V255 HydrophobicContact CB-CG1 3.92Å; N252-V255 HydrophobicContact CB-CG2 4.1Å; N252-V255 WeakPolarHBondContact O-CB 3.34Å; N252-V255 PolarHBondContact O-N 2.82Å; V255-S258 PolarHBondContact O-N 3Å; V255-A259 WeakPolarHBondContact O-CB 3.42Å; V255-A259 PolarHBondContact O-N 2.83Å |
| 256 | V | 97.5 | Very high | 95.9 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 4% | 0.036 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.6 | -48 | 177.5 | 179 | 0 | 0 | 0 | 0 | 111 | H250 N252 S253 A254 A259 V260 P287 L291 | H250-V256 HydrophobicContact CB-CG2 4.23Å; H250-V256 VanDerWaalsContact O-CG2 3.32Å; H250-V256 WeakPolarHBondContact O-CG2 3.36Å; N252-V256 PolarHBondContact O-N 3.36Å; S253-V256 PolarHBondContact O-N 2.8Å; A254-V256 VanDerWaalsContact C-N 3.29Å; A254-V256 PolarHBondContact O-N 2.83Å; V256-A259 WeakPolarHBondContact O-CB 3.34Å; V256-A259 PolarHBondContact O-N 2.85Å; V256-V260 HydrophobicContact CG1-CG2 4.44Å; V256-V260 VanDerWaalsContact O-CG2 3.3Å; V256-V260 WeakPolarHBondContact O-CG2 3.46Å; V256-V260 PolarHBondContact O-N 3.07Å; V256-P287 HydrophobicContact CG1-CB 4.02Å; V256-L291 HydrophobicContact CB-CD2 4.19Å; V256-L291 HydrophobicContact CG1-CD1 4.22Å; V256-L291 HydrophobicContact CG1-CD2 4.16Å; V256-L291 HydrophobicContact CG1-CG 4.27Å |
| 257 | L | 97.2 | Very high | 95.8 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | 178.9 | -75.1 | 175.5 | 0 | 0 | 0 | 112.5 | S253 A254 A259 V260 K261 L291 V301 N305 I567 | S253-L257 PolarHBondContact O-N 2.86Å; A254-L257 PolarHBondContact O-N 3.3Å; L257-A259 VanDerWaalsContact C-N 3.32Å; L257-A259 PolarHBondContact O-N 3.12Å; L257-V260 PolarHBondContact O-N 3.19Å; L257-K261 PolarHBondContact O-N 3.01Å; L257-L291 HydrophobicContact CD2-CD1 3.71Å; L257-L291 HydrophobicContact CG-CD1 4.05Å; L257-V301 HydrophobicContact CD1-CG1 4.26Å; L257-N305 HydrophobicContact CD2-CB 4.11Å; L257-I567 HydrophobicContact CB-CG2 4.45Å; L257-I567 HydrophobicContact CD2-CG2 4.25Å |
| 258 | S | 96.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 5% | 0.049 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.6 | -37.5 | 173.8 | -72.5 | 0 | 0 | 0 | 0 | 112 | D224 A254 V255 K261 V262 | D224-S258 PolarHBondContact OD1-OG 3.2Å; A254-S258 PolarHBondContact O-N 2.87Å; A254-S258 PolarHBondContact O-OG 2.82Å; V255-S258 PolarHBondContact O-N 3Å; S258-K261 WeakPolarHBondContact O-CB 3.46Å; S258-K261 PolarHBondContact O-N 2.9Å; S258-V262 WeakPolarHBondContact O-CG2 3.27Å; S258-V262 PolarHBondContact O-N 3.33Å |
| 259 | A | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.8 | -44.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L223 V244 R247 L248 V255 V256 L257 K261 V262 L263 | L223-A259 HydrophobicContact CD1-CB 4.21Å; V244-A259 HydrophobicContact CG1-CB 3.98Å; R247-A259 HydrophobicContact CB-CB 3.81Å; L248-A259 HydrophobicContact CD2-CB 4.16Å; V255-A259 WeakPolarHBondContact O-CB 3.42Å; V255-A259 PolarHBondContact O-N 2.83Å; V256-A259 WeakPolarHBondContact O-CB 3.34Å; V256-A259 PolarHBondContact O-N 2.85Å; L257-A259 VanDerWaalsContact C-N 3.32Å; L257-A259 PolarHBondContact O-N 3.12Å; A259-K261 VanDerWaalsContact C-N 3.31Å; A259-K261 PolarHBondContact O-N 2.84Å; A259-V262 PolarHBondContact O-N 2.95Å; A259-L263 VanDerWaalsContact O-CG 3.28Å; A259-L263 WeakPolarHBondContact O-CG 3.4Å; A259-L263 PolarHBondContact O-N 3.36Å |
| 260 | V | 98.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.5 | -42.7 | 174.2 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | L248 V256 L257 V262 L263 M264 L284 L288 I309 | L248-V260 HydrophobicContact CD2-CG2 3.61Å; V256-V260 HydrophobicContact CG1-CG2 4.44Å; V256-V260 VanDerWaalsContact O-CG2 3.3Å; V256-V260 WeakPolarHBondContact O-CG2 3.46Å; V256-V260 PolarHBondContact O-N 3.07Å; L257-V260 PolarHBondContact O-N 3.19Å; V260-V262 PolarHBondContact O-N 3.03Å; V260-L263 PolarHBondContact O-N 3.35Å; V260-M264 HydrophobicContact CG1-CG 3.92Å; V260-M264 VanDerWaalsContact O-CB 3.29Å; V260-M264 WeakPolarHBondContact O-CB 3.33Å; V260-M264 VanDerWaalsContact O-CG 3.27Å; V260-M264 WeakPolarHBondContact O-CG 3.45Å; V260-M264 PolarHBondContact O-N 2.84Å; V260-L284 HydrophobicContact CG2-CD2 4.16Å; V260-L288 HydrophobicContact CG1-CD2 4.36Å; V260-L288 HydrophobicContact CG2-CD2 4.19Å; V260-I309 HydrophobicContact CG1-CD1 3.64Å |
| 261 | K | 97.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 19.7 Ų | 19.7 | 9% | 0.087 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.1 | -52.3 | 175.9 | 178.6 | 176 | 57 | -169.1 | 0 | 111.8 | D224 L257 S258 A259 L263 M264 K265 C565 I567 | D224-K261 VanDerWaalsContact CG-NZ 3.27Å; D224-K261 VanDerWaalsContact OD1-CE 3.32Å; D224-K261 WeakPolarHBondContact OD1-CE 3.19Å; D224-K261 IonicContact OD1-NZ 3.25Å; D224-K261 PolarHBondContact OD1-NZ 3.44Å; D224-K261 IonicContact OD2-NZ 3.75Å; L257-K261 PolarHBondContact O-N 3.01Å; S258-K261 WeakPolarHBondContact O-CB 3.46Å; S258-K261 PolarHBondContact O-N 2.9Å; A259-K261 VanDerWaalsContact C-N 3.31Å; A259-K261 PolarHBondContact O-N 2.84Å; K261-L263 PolarHBondContact O-N 3.23Å; K261-M264 PolarHBondContact O-N 3.36Å; K261-K265 PolarHBondContact O-N 2.85Å; K261-K265 VanDerWaalsContact O-N 3.11Å; K261-C565 WeakPolarHBondContact CD-O 3.44Å; K261-I567 HydrophobicContact CB-CB 3.89Å; K261-I567 HydrophobicContact CB-CG2 4.09Å; K261-I567 WeakPolarHBondContact CD-O 3.41Å; K261-I567 HydrophobicContact CG-CB 4.24Å |
| 262 | V | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.1 | -49.4 | 178.9 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | L223 L226 V244 S258 A259 V260 M264 K265 F266 | L223-V262 HydrophobicContact CB-CG2 4.3Å; L223-V262 HydrophobicContact CD2-CG2 4.28Å; L223-V262 WeakPolarHBondContact O-CG2 3.28Å; L226-V262 HydrophobicContact CB-CG2 4.32Å; V244-V262 HydrophobicContact CG1-CB 4.41Å; V244-V262 HydrophobicContact CG1-CG1 4.44Å; V244-V262 HydrophobicContact CG2-CG1 4.27Å; S258-V262 WeakPolarHBondContact O-CG2 3.27Å; S258-V262 PolarHBondContact O-N 3.33Å; A259-V262 PolarHBondContact O-N 2.95Å; V260-V262 PolarHBondContact O-N 3.03Å; V262-M264 PolarHBondContact O-N 2.92Å; V262-K265 PolarHBondContact O-N 2.98Å; V262-F266 HydrophobicContact CG1-CD2 4.42Å; V262-F266 HydrophobicContact CG1-CE2 4.44Å; V262-F266 WeakPolarHBondContact O-CB 3.36Å; V262-F266 WeakPolarHBondContact O-CD2 3.11Å; V262-F266 PolarHBondContact O-N 3.46Å |
| 263 | L | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66 | -40.1 | -177.7 | -64.6 | 173.9 | 0 | 0 | 0 | 112.3 | C241 V244 L248 A259 V260 K261 K265 F266 L267 L280 L284 | C241-L263 HydrophobicContact CB-CD2 3.73Å; V244-L263 HydrophobicContact CB-CD2 4.28Å; V244-L263 HydrophobicContact CG1-CD1 4.48Å; V244-L263 HydrophobicContact CG1-CD2 4.18Å; V244-L263 HydrophobicContact CG1-CG 4.11Å; L248-L263 HydrophobicContact CD1-CD1 3.67Å; L248-L263 HydrophobicContact CD2-CD1 3.93Å; L248-L263 HydrophobicContact CG-CD1 3.91Å; A259-L263 VanDerWaalsContact O-CG 3.28Å; A259-L263 WeakPolarHBondContact O-CG 3.4Å; A259-L263 PolarHBondContact O-N 3.36Å; V260-L263 PolarHBondContact O-N 3.35Å; K261-L263 PolarHBondContact O-N 3.23Å; L263-K265 VanDerWaalsContact C-N 3.32Å; L263-K265 PolarHBondContact O-N 3.14Å; L263-F266 PolarHBondContact O-N 3.2Å; L263-L267 WeakPolarHBondContact O-CB 3.46Å; L263-L267 VanDerWaalsContact O-CG 3.24Å; L263-L267 WeakPolarHBondContact O-CG 3.3Å; L263-L267 PolarHBondContact O-N 3.15Å; L263-L280 HydrophobicContact CD1-CD1 4.24Å; L263-L280 HydrophobicContact CD2-CD1 4.21Å; L263-L280 HydrophobicContact CD2-CD2 4.3Å; L263-L284 HydrophobicContact CB-CD2 4.24Å; L263-L284 HydrophobicContact CD1-CD2 3.86Å |
| 264 | M | 95.5 | Very high | 94 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 177.6 | -78.9 | -64.2 | -68.4 | 0 | 0 | 111.8 | V260 K261 V262 L267 L284 I309 K312 R313 I316 I564 I567 | V260-M264 HydrophobicContact CG1-CG 3.92Å; V260-M264 VanDerWaalsContact O-CB 3.29Å; V260-M264 WeakPolarHBondContact O-CB 3.33Å; V260-M264 VanDerWaalsContact O-CG 3.27Å; V260-M264 WeakPolarHBondContact O-CG 3.45Å; V260-M264 PolarHBondContact O-N 2.84Å; K261-M264 PolarHBondContact O-N 3.36Å; V262-M264 PolarHBondContact O-N 2.92Å; M264-L267 HydrophobicContact SD-CD1 4.36Å; M264-L284 HydrophobicContact SD-CD1 4.17Å; M264-I309 HydrophobicContact CE-CB 4.37Å; M264-I309 HydrophobicContact CE-CG1 4.26Å; M264-I309 HydrophobicContact CE-CG2 3.97Å; M264-I309 HydrophobicContact CG-CG1 4.5Å; M264-I309 HydrophobicContact SD-CG2 4.08Å; M264-K312 HydrophobicContact CE-CB 4.37Å; M264-K312 HydrophobicContact CE-CG 4.38Å; M264-R313 HydrophobicContact CE-CG 4.48Å; M264-R313 PolarHBondContact O-NH1 3.04Å; M264-R313 VanDerWaalsContact O-NH1 3.07Å; M264-R313 PolarHBondContact O-NH2 3.44Å; M264-R313 PolarHBondContact SD-NH1 2.98Å; M264-I316 HydrophobicContact SD-CD1 3.95Å; M264-I564 HydrophobicContact CB-CG2 3.96Å; M264-I564 HydrophobicContact CE-CD1 4.12Å; M264-I567 HydrophobicContact CB-CD1 4.32Å; M264-I567 HydrophobicContact CG-CD1 4.19Å |
| 265 | K | 93.7 | Very high | 93.9 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.6 | -47.6 | 174.8 | -172.9 | -174.2 | 178.6 | -166.5 | 0 | 111.5 | S227 Y229 N230 K261 V262 L263 L267 E268 L593 P594 | S227-K265 WeakPolarHBondContact O-CD 3.37Å; S227-K265 WeakPolarHBondContact O-CE 3.29Å; S227-K265 PolarHBondContact O-NZ 3.27Å; Y229-K265 PolarHBondContact O-NZ 2.97Å; N230-K265 PolarHBondContact OD1-NZ 3.14Å; K261-K265 PolarHBondContact O-N 2.85Å; K261-K265 VanDerWaalsContact O-N 3.11Å; V262-K265 PolarHBondContact O-N 2.98Å; L263-K265 VanDerWaalsContact C-N 3.32Å; L263-K265 PolarHBondContact O-N 3.14Å; K265-L267 VanDerWaalsContact C-N 3.29Å; K265-L267 PolarHBondContact O-N 3.47Å; K265-E268 WeakPolarHBondContact O-CB 3.42Å; K265-E268 PolarHBondContact O-N 3.48Å; K265-E268 VanDerWaalsContact O-N 3.16Å; K265-L593 HydrophobicContact CB-CD2 4.21Å; K265-L593 HydrophobicContact CG-CD2 4.05Å; K265-P594 HydrophobicContact CG-CG 4.06Å |
| 266 | F | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -73.4 | -23.6 | -174.2 | -80.6 | -145.9 | 0 | 0 | 0 | 112.6 | Y229 P231 A237 I240 C241 V262 L263 E268 L269 L270 | Y229-F266 HydrophobicContact CD1-CZ 4.4Å; P231-F266 HydrophobicContact CG-CD1 3.9Å; P231-F266 HydrophobicContact CG-CE1 3.35Å; P231-F266 HydrophobicContact CG-CE2 4.22Å; P231-F266 HydrophobicContact CG-CZ 3.54Å; A237-F266 HydrophobicContact CB-CD1 4.34Å; I240-F266 HydrophobicContact CB-CD1 4.21Å; I240-F266 HydrophobicContact CB-CE1 3.77Å; I240-F266 HydrophobicContact CD1-CE1 3.72Å; I240-F266 HydrophobicContact CD1-CZ 4.41Å; I240-F266 HydrophobicContact CG1-CE1 4.34Å; I240-F266 HydrophobicContact CG2-CD1 4.1Å; I240-F266 HydrophobicContact CG2-CE1 3.5Å; I240-F266 VanDerWaalsContact CG2-CE1 3.5Å; I240-F266 HydrophobicContact CG2-CZ 4.33Å; C241-F266 VanDerWaalsContact SG-CB 3.52Å; V262-F266 HydrophobicContact CG1-CD2 4.42Å; V262-F266 HydrophobicContact CG1-CE2 4.44Å; V262-F266 WeakPolarHBondContact O-CB 3.36Å; V262-F266 WeakPolarHBondContact O-CD2 3.11Å; V262-F266 PolarHBondContact O-N 3.46Å; L263-F266 PolarHBondContact O-N 3.2Å; F266-E268 PolarHBondContact O-N 2.68Å; F266-L269 WeakPolarHBondContact O-CB 3.49Å; F266-L269 PolarHBondContact O-N 2.77Å; F266-L270 PolarHBondContact O-N 2.8Å |
| 267 | L | 93.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -58.3 | -25.7 | 169.9 | -84.7 | 165.5 | 0 | 0 | 0 | 113.1 | L263 M264 K265 L269 L270 Y277 L280 L281 L284 R313 | L263-L267 WeakPolarHBondContact O-CB 3.46Å; L263-L267 VanDerWaalsContact O-CG 3.24Å; L263-L267 WeakPolarHBondContact O-CG 3.3Å; L263-L267 PolarHBondContact O-N 3.15Å; M264-L267 HydrophobicContact SD-CD1 4.36Å; K265-L267 VanDerWaalsContact C-N 3.29Å; K265-L267 PolarHBondContact O-N 3.47Å; L267-L269 PolarHBondContact O-N 3.46Å; L267-L270 HydrophobicContact CD2-CD1 4.34Å; L267-L270 PolarHBondContact O-N 2.89Å; L267-Y277 HydrophobicContact CB-CE2 4.27Å; L267-Y277 HydrophobicContact CD2-CD2 3.48Å; L267-Y277 VanDerWaalsContact CD2-CD2 3.48Å; L267-Y277 HydrophobicContact CD2-CE2 3.58Å; L267-Y277 HydrophobicContact CD2-CG 4.25Å; L267-L280 HydrophobicContact CD1-CD2 4.44Å; L267-L280 HydrophobicContact CD2-CB 4.28Å; L267-L280 HydrophobicContact CD2-CD2 3.73Å; L267-L280 HydrophobicContact CD2-CG 4.12Å; L267-L280 HydrophobicContact CG-CD2 3.87Å; L267-L280 HydrophobicContact CG-CG 4.41Å; L267-L281 HydrophobicContact CD1-CD2 3.81Å; L267-L281 HydrophobicContact CD2-CD2 4.24Å; L267-L284 HydrophobicContact CD1-CD1 3.69Å; L267-R313 VanDerWaalsContact CB-NH1 3.26Å; L267-R313 VanDerWaalsContact CB-NH2 3.27Å |
| 268 | E | 90.6 | Very high | 93.3 | Very high | 34 Ų | 34 | 36.6 Ų | 36.6 | 16% | 0.159 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -71 | -19.7 | 174.4 | -62.4 | -63.9 | 153.5 | 0 | 0 | 112.9 | K265 F266 K312 R313 L593 | K265-E268 WeakPolarHBondContact O-CB 3.42Å; K265-E268 PolarHBondContact O-N 3.48Å; K265-E268 VanDerWaalsContact O-N 3.16Å; F266-E268 PolarHBondContact O-N 2.68Å; E268-K312 WeakPolarHBondContact OE1-CE 3.46Å; E268-K312 IonicContact OE1-NZ 3.37Å; E268-R313 IonicContact OE1-CZ 3.97Å; E268-R313 IonicContact OE1-NH2 3.47Å; E268-R313 PolarHBondContact OE1-NH2 3.13Å; E268-L593 HydrophobicContact CG-CB 4.19Å; E268-L593 HydrophobicContact CG-CD1 4Å; E268-L593 HydrophobicContact CG-CD2 4.17Å; E268-L593 HydrophobicContact CG-CG 4.36Å |
| 269 | L | 90 | Very high | 93.1 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -94 | -5.9 | 178.5 | -60.8 | 173.8 | 0 | 0 | 0 | 112.8 | P231 A237 F266 L267 P594 | P231-L269 HydrophobicContact CB-CD1 4.37Å; P231-L269 HydrophobicContact CG-CD1 3.88Å; A237-L269 HydrophobicContact CB-CB 4.22Å; F266-L269 WeakPolarHBondContact O-CB 3.49Å; F266-L269 PolarHBondContact O-N 2.77Å; L267-L269 PolarHBondContact O-N 3.46Å; L269-P594 HydrophobicContact CD1-CB 4.5Å; L269-P594 HydrophobicContact CD1-CG 4.33Å; L269-P594 HydrophobicContact CD2-CB 3.45Å; L269-P594 VanDerWaalsContact CD2-CB 3.45Å; L269-P594 HydrophobicContact CD2-CG 4.16Å; L269-P594 HydrophobicContact CG-CB 4.01Å; L269-P594 HydrophobicContact CG-CG 4.22Å |
| 270 | L | 92.2 | Very high | 93 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -98.2 | 141.8 | -177.9 | -66.2 | 175.6 | 0 | 0 | 0 | 110.7 | A237 Q238 F266 L267 K272 Y276 Y277 L280 | A237-L270 HydrophobicContact CB-CD2 4.1Å; Q238-L270 HydrophobicContact CB-CD2 4Å; F266-L270 PolarHBondContact O-N 2.8Å; L267-L270 HydrophobicContact CD2-CD1 4.34Å; L267-L270 PolarHBondContact O-N 2.89Å; L270-K272 PolarHBondContact O-N 2.9Å; L270-Y276 HydrophobicContact CD1-CD1 4Å; L270-Y276 HydrophobicContact CD1-CE1 3.94Å; L270-Y277 HydrophobicContact CB-CD2 4.17Å; L270-L280 HydrophobicContact CD1-CD2 4.2Å |
| 271 | P | 89.5 | Confident | 92.8 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 35% | 0.351 | 21% | 0.207 | S | C | . | . | trans | -60 | 123.8 | 174.8 | -23.9 | 33.1 | 0 | 0 | 0 | 111.4 | D234 D273 S274 Y277 | D234-P271 WeakPolarHBondContact OD2-CD 3.26Å; D234-P271 VanDerWaalsContact OD2-CG 3.29Å; D234-P271 WeakPolarHBondContact OD2-CG 3.41Å; P271-D273 PolarHBondContact O-N 3.24Å; P271-S274 WeakPolarHBondContact O-CB 3.37Å; P271-S274 PolarHBondContact O-N 3.01Å; P271-Y277 WeakPolarHBondContact O-CB 3.29Å | ||
| 272 | K | 87.6 | Confident | 92.7 | Very high | 143 Ų | 143 | 47.1 Ų | 47.1 | 62% | 0.622 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.8 | -176.5 | -65.1 | -176.5 | 179.7 | -179.8 | 0 | 113.5 | L270 S274 Y277 | L270-K272 PolarHBondContact O-N 2.9Å; K272-S274 VanDerWaalsContact C-N 3.25Å; K272-S274 PolarHBondContact O-N 3.17Å; K272-Y277 HydrophobicContact CG-CE2 4.38Å; K272-Y277 WeakPolarHBondContact O-CD1 3.49Å |
| 273 | D | 87.1 | Confident | 92.6 | Very high | 160 Ų | 160 | 51.4 Ų | 51.4 | 86% | 0.856 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -4.3 | 178.5 | -60 | -40.3 | 0 | 0 | 0 | 113.2 | P271 | P271-D273 PolarHBondContact O-N 3.24Š|
| 274 | S | 90.5 | Very high | 92.6 | Very high | 37 Ų | 37 | 51.5 Ų | 51.5 | 26% | 0.259 | 26% | 0.256 | S | S | . | . | trans | -69.9 | 138.5 | 179.9 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | P271 K272 Y276 Y277 N278 | P271-S274 WeakPolarHBondContact O-CB 3.37Å; P271-S274 PolarHBondContact O-N 3.01Å; K272-S274 VanDerWaalsContact C-N 3.25Å; K272-S274 PolarHBondContact O-N 3.17Å; S274-Y276 PolarHBondContact O-N 3.06Å; S274-Y276 PolarHBondContact OG-N 2.73Å; S274-Y277 WeakPolarHBondContact O-CB 3.47Å; S274-Y277 PolarHBondContact O-N 3.18Å; S274-N278 PolarHBondContact O-N 2.9Å; S274-N278 PolarHBondContact O-ND2 3.39Å | ||
| 275 | D | 91.5 | Very high | 92.6 | Very high | 145 Ų | 145 | 51.8 Ų | 51.8 | 78% | 0.775 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -58 | -34.6 | 169.6 | -71.6 | -38 | 0 | 0 | 0 | 111.4 | N278 M279 | D275-N278 PolarHBondContact O-N 2.81Å; D275-M279 WeakPolarHBondContact O-CB 3.42Å; D275-M279 PolarHBondContact O-N 2.82Å |
| 276 | Y | 92.5 | Very high | 92.7 | Very high | 19 Ų | 19 | 54.4 Ų | 54.4 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 178.2 | -176.1 | -95 | 0 | 0 | 0 | 111.8 | Q238 C241 E242 L270 S274 N278 M279 L280 | Q238-Y276 HydrophobicContact CB-CD1 4.45Å; Q238-Y276 HydrophobicContact CB-CE1 4.32Å; Q238-Y276 HydrophobicContact CG-CD1 3.78Å; Q238-Y276 HydrophobicContact CG-CD2 4.19Å; Q238-Y276 HydrophobicContact CG-CE1 3.7Å; Q238-Y276 HydrophobicContact CG-CE2 4.12Å; Q238-Y276 HydrophobicContact CG-CG 4.05Å; C241-Y276 HydrophobicContact CB-CE1 4.2Å; C241-Y276 WeakPolarHBondContact CB-OH 3.49Å; E242-Y276 HydrophobicContact CG-CE2 3.68Å; E242-Y276 VanDerWaalsContact CG-OH 3.28Å; E242-Y276 WeakPolarHBondContact CG-OH 3.38Å; E242-Y276 PolarHBondContact N-OH 3Å; L270-Y276 HydrophobicContact CD1-CD1 4Å; L270-Y276 HydrophobicContact CD1-CE1 3.94Å; S274-Y276 PolarHBondContact O-N 3.06Å; S274-Y276 PolarHBondContact OG-N 2.73Å; Y276-N278 PolarHBondContact O-N 3.07Å; Y276-M279 HydrophobicContact CD2-CE 3.35Å; Y276-M279 HydrophobicContact CE2-CE 3.43Å; Y276-M279 VanDerWaalsContact CE2-CE 3.43Å; Y276-M279 HydrophobicContact CG-CE 4.37Å; Y276-M279 PolarHBondContact O-N 2.93Å; Y276-L280 HydrophobicContact CE1-CB 4.49Å; Y276-L280 HydrophobicContact CE1-CD2 4.15Å; Y276-L280 WeakPolarHBondContact O-CB 3.34Å; Y276-L280 PolarHBondContact O-N 3.07Å |
| 277 | Y | 93.6 | Very high | 92.8 | Very high | 17 Ų | 17 | 55 Ų | 55 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.3 | -51.5 | 175.3 | 175.9 | -89.1 | 0 | 0 | 0 | 110.3 | L267 L270 P271 K272 S274 M279 L280 L281 R313 | L267-Y277 HydrophobicContact CB-CE2 4.27Å; L267-Y277 HydrophobicContact CD2-CD2 3.48Å; L267-Y277 VanDerWaalsContact CD2-CD2 3.48Å; L267-Y277 HydrophobicContact CD2-CE2 3.58Å; L267-Y277 HydrophobicContact CD2-CG 4.25Å; L270-Y277 HydrophobicContact CB-CD2 4.17Å; P271-Y277 WeakPolarHBondContact O-CB 3.29Å; K272-Y277 HydrophobicContact CG-CE2 4.38Å; K272-Y277 WeakPolarHBondContact O-CD1 3.49Å; S274-Y277 WeakPolarHBondContact O-CB 3.47Å; S274-Y277 PolarHBondContact O-N 3.18Å; Y277-M279 PolarHBondContact O-N 2.73Å; Y277-L280 PolarHBondContact O-N 3.41Å; Y277-L281 HydrophobicContact CD1-CD1 3.91Å; Y277-L281 HydrophobicContact CD1-CG 4.39Å; Y277-L281 HydrophobicContact CE1-CD1 3.33Å; Y277-L281 HydrophobicContact CE1-CG 4.06Å; Y277-L281 WeakPolarHBondContact O-CG 3.1Å; Y277-L281 PolarHBondContact O-N 2.73Å; Y277-R313 PolarHBondContact OH-NE 2.85Å |
| 278 | N | 92.9 | Very high | 92.9 | Very high | 72 Ų | 72 | 55 Ų | 55 | 39% | 0.385 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 178.6 | -72.4 | -70.2 | 0 | 0 | 0 | 113.2 | S274 D275 Y276 K282 | S274-N278 PolarHBondContact O-N 2.9Å; S274-N278 PolarHBondContact O-ND2 3.39Å; D275-N278 PolarHBondContact O-N 2.81Å; Y276-N278 PolarHBondContact O-N 3.07Å; N278-K282 WeakPolarHBondContact O-CG 3.24Å; N278-K282 PolarHBondContact O-N 3.03Å |
| 279 | M | 93.9 | Very high | 93.2 | Very high | 76 Ų | 76 | 54.8 Ų | 54.8 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 173.8 | -177.3 | -175.1 | 63.2 | 0 | 0 | 111.2 | D275 Y276 Y277 K282 K283 | D275-M279 WeakPolarHBondContact O-CB 3.42Å; D275-M279 PolarHBondContact O-N 2.82Å; Y276-M279 HydrophobicContact CD2-CE 3.35Å; Y276-M279 HydrophobicContact CE2-CE 3.43Å; Y276-M279 VanDerWaalsContact CE2-CE 3.43Å; Y276-M279 HydrophobicContact CG-CE 4.37Å; Y276-M279 PolarHBondContact O-N 2.93Å; Y277-M279 PolarHBondContact O-N 2.73Å; M279-K282 PolarHBondContact O-N 2.9Å; M279-K283 HydrophobicContact CG-CD 4.42Å; M279-K283 WeakPolarHBondContact O-CG 3.38Å; M279-K283 PolarHBondContact O-N 2.93Å |
| 280 | L | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.8 | -41.8 | -179.3 | -175.8 | 56 | 0 | 0 | 0 | 111.7 | C241 L263 L267 L270 Y276 Y277 K282 K283 L284 | C241-L280 HydrophobicContact CB-CD2 4.14Å; L263-L280 HydrophobicContact CD1-CD1 4.24Å; L263-L280 HydrophobicContact CD2-CD1 4.21Å; L263-L280 HydrophobicContact CD2-CD2 4.3Å; L267-L280 HydrophobicContact CD1-CD2 4.44Å; L267-L280 HydrophobicContact CD2-CB 4.28Å; L267-L280 HydrophobicContact CD2-CD2 3.73Å; L267-L280 HydrophobicContact CD2-CG 4.12Å; L267-L280 HydrophobicContact CG-CD2 3.87Å; L267-L280 HydrophobicContact CG-CG 4.41Å; L270-L280 HydrophobicContact CD1-CD2 4.2Å; Y276-L280 HydrophobicContact CE1-CB 4.49Å; Y276-L280 HydrophobicContact CE1-CD2 4.15Å; Y276-L280 WeakPolarHBondContact O-CB 3.34Å; Y276-L280 PolarHBondContact O-N 3.07Å; Y277-L280 PolarHBondContact O-N 3.41Å; L280-K282 VanDerWaalsContact C-N 3.31Å; L280-K282 PolarHBondContact O-N 3.13Å; L280-K283 PolarHBondContact O-N 3.34Å; L280-K283 VanDerWaalsContact O-N 3.09Å; L280-L284 PolarHBondContact O-N 3.24Å |
| 281 | L | 94.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.3 | -44.6 | 173 | -67.2 | -179.8 | 0 | 0 | 0 | 112.2 | L267 Y277 K283 L284 E315 I316 | L267-L281 HydrophobicContact CD1-CD2 3.81Å; L267-L281 HydrophobicContact CD2-CD2 4.24Å; Y277-L281 HydrophobicContact CD1-CD1 3.91Å; Y277-L281 HydrophobicContact CD1-CG 4.39Å; Y277-L281 HydrophobicContact CE1-CD1 3.33Å; Y277-L281 HydrophobicContact CE1-CG 4.06Å; Y277-L281 WeakPolarHBondContact O-CG 3.1Å; Y277-L281 PolarHBondContact O-N 2.73Å; L281-K283 VanDerWaalsContact C-N 3.32Å; L281-K283 PolarHBondContact O-N 2.92Å; L281-L284 PolarHBondContact O-N 2.86Å; L281-E315 HydrophobicContact CD1-CG 3.77Å; L281-I316 HydrophobicContact CB-CG1 4.36Å; L281-I316 HydrophobicContact CD2-CD1 3.97Å; L281-I316 HydrophobicContact CD2-CG1 3.77Å |
| 282 | K | 94.3 | Very high | 93.8 | Very high | 165 Ų | 165 | 55.8 Ų | 55.8 | 72% | 0.717 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.5 | -35.9 | 176.2 | -70.2 | 175.5 | -177.1 | 175.7 | 0 | 112.5 | N278 M279 L280 L284 A285 P286 | N278-K282 WeakPolarHBondContact O-CG 3.24Å; N278-K282 PolarHBondContact O-N 3.03Å; M279-K282 PolarHBondContact O-N 2.9Å; L280-K282 VanDerWaalsContact C-N 3.31Å; L280-K282 PolarHBondContact O-N 3.13Å; K282-L284 VanDerWaalsContact C-N 3.3Å; K282-L284 PolarHBondContact O-N 3.06Å; K282-A285 PolarHBondContact O-N 2.66Å; K282-P286 WeakPolarHBondContact O-CD 3.41Å |
| 283 | K | 95 | Very high | 94 | Very high | 90 Ų | 90 | 53.8 Ų | 53.8 | 39% | 0.391 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.4 | -23.9 | 178 | -75 | -177.2 | 179.6 | 179.9 | 0 | 113.4 | T245 M279 L280 L281 A285 P287 | T245-K283 HydrophobicContact CG2-CD 3.91Å; M279-K283 HydrophobicContact CG-CD 4.42Å; M279-K283 WeakPolarHBondContact O-CG 3.38Å; M279-K283 PolarHBondContact O-N 2.93Å; L280-K283 PolarHBondContact O-N 3.34Å; L280-K283 VanDerWaalsContact O-N 3.09Å; L281-K283 VanDerWaalsContact C-N 3.32Å; L281-K283 PolarHBondContact O-N 2.92Å; K283-A285 VanDerWaalsContact C-N 3.34Å; K283-P287 WeakPolarHBondContact O-CD 3.47Å; K283-P287 WeakPolarHBondContact O-CG 3.31Å |
| 284 | L | 96.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74 | -22.7 | 177.2 | -74.4 | 171.9 | 0 | 0 | 0 | 113.2 | L248 V260 L263 M264 L267 L280 L281 K282 P287 L288 I316 | L248-L284 HydrophobicContact CD1-CD2 4.04Å; L248-L284 HydrophobicContact CD2-CD2 4.05Å; V260-L284 HydrophobicContact CG2-CD2 4.16Å; L263-L284 HydrophobicContact CB-CD2 4.24Å; L263-L284 HydrophobicContact CD1-CD2 3.86Å; M264-L284 HydrophobicContact SD-CD1 4.17Å; L267-L284 HydrophobicContact CD1-CD1 3.69Å; L280-L284 PolarHBondContact O-N 3.24Å; L281-L284 PolarHBondContact O-N 2.86Å; K282-L284 VanDerWaalsContact C-N 3.3Å; K282-L284 PolarHBondContact O-N 3.06Å; L284-P287 WeakPolarHBondContact O-CD 3.11Å; L284-L288 WeakPolarHBondContact O-CD1 3.49Å; L284-L288 VanDerWaalsContact O-CG 3.25Å; L284-L288 WeakPolarHBondContact O-CG 3.48Å; L284-L288 PolarHBondContact O-N 3.24Å; L284-I316 HydrophobicContact CB-CG2 3.87Å; L284-I316 HydrophobicContact CD1-CD1 4.02Å |
| 285 | A | 96.1 | Very high | 94.4 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 7% | 0.066 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.5 | -52.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K282 K283 L288 V289 I316 L317 | K282-A285 PolarHBondContact O-N 2.66Å; K283-A285 VanDerWaalsContact C-N 3.34Å; A285-L288 PolarHBondContact O-N 3.08Å; A285-V289 WeakPolarHBondContact O-CG2 3.36Å; A285-V289 PolarHBondContact O-N 2.94Å; A285-I316 HydrophobicContact CB-CG2 4.19Å; A285-I316 WeakPolarHBondContact CB-O 3.4Å; A285-L317 HydrophobicContact CB-CD2 4.23Å |
| 286 | P | 95.8 | Very high | 94.6 | Very high | 75 Ų | 75 | 46.2 Ų | 46.2 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.7 | -41.7 | -177.2 | -20 | 31.3 | 0 | 0 | 0 | 114.7 | K282 V289 T290 | K282-P286 WeakPolarHBondContact O-CD 3.41Å; P286-V289 PolarHBondContact O-N 2.7Å; P286-T290 WeakPolarHBondContact O-CB 3.36Å; P286-T290 PolarHBondContact O-N 3.46Å; P286-T290 PolarHBondContact O-OG1 3.35Å |
| 287 | P | 96.3 | Very high | 94.7 | Very high | 14 Ų | 14 | 50 Ų | 50 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 173.9 | -26.1 | 34.3 | 0 | 0 | 0 | 113.2 | L248 V256 K283 L284 V289 T290 L291 | L248-P287 HydrophobicContact CB-CB 4.15Å; L248-P287 HydrophobicContact CB-CG 3.6Å; L248-P287 HydrophobicContact CD1-CG 4.21Å; L248-P287 HydrophobicContact CD2-CB 4.35Å; L248-P287 HydrophobicContact CD2-CG 4.31Å; L248-P287 HydrophobicContact CG-CG 4.27Å; L248-P287 WeakPolarHBondContact O-CB 3.19Å; V256-P287 HydrophobicContact CG1-CB 4.02Å; K283-P287 WeakPolarHBondContact O-CD 3.47Å; K283-P287 WeakPolarHBondContact O-CG 3.31Å; L284-P287 WeakPolarHBondContact O-CD 3.11Å; P287-V289 VanDerWaalsContact C-N 3.29Å; P287-V289 PolarHBondContact O-N 2.85Å; P287-T290 WeakPolarHBondContact O-CB 3.09Å; P287-T290 PolarHBondContact O-N 3.02Å; P287-T290 VanDerWaalsContact O-N 3.08Å; P287-L291 WeakPolarHBondContact O-CG 3.43Å; P287-L291 PolarHBondContact O-N 3.49Å |
| 288 | L | 96.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 178.4 | -66.7 | 174.6 | 0 | 0 | 0 | 111.7 | V260 L284 A285 L291 I306 I309 I316 L317 | V260-L288 HydrophobicContact CG1-CD2 4.36Å; V260-L288 HydrophobicContact CG2-CD2 4.19Å; L284-L288 WeakPolarHBondContact O-CD1 3.49Å; L284-L288 VanDerWaalsContact O-CG 3.25Å; L284-L288 WeakPolarHBondContact O-CG 3.48Å; L284-L288 PolarHBondContact O-N 3.24Å; A285-L288 PolarHBondContact O-N 3.08Å; L288-L291 HydrophobicContact CD2-CD1 4.34Å; L288-I306 HydrophobicContact CB-CD1 4.24Å; L288-I306 HydrophobicContact CB-CG1 4.24Å; L288-I306 HydrophobicContact CD2-CG1 4.01Å; L288-I309 HydrophobicContact CD1-CD1 4.2Å; L288-I309 HydrophobicContact CD1-CG2 4.18Å; L288-I309 HydrophobicContact CD2-CD1 3.81Å; L288-I316 HydrophobicContact CD1-CG2 4.03Å; L288-L317 HydrophobicContact CB-CD2 4.41Å; L288-L317 HydrophobicContact CD1-CD1 4.1Å; L288-L317 HydrophobicContact CD1-CG 4.46Å |
| 289 | V | 95.9 | Very high | 95 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 172.8 | 167.4 | 0 | 0 | 0 | 0 | 111.4 | A285 P286 P287 L291 L292 L317 E320 V323 | A285-V289 WeakPolarHBondContact O-CG2 3.36Å; A285-V289 PolarHBondContact O-N 2.94Å; P286-V289 PolarHBondContact O-N 2.7Å; P287-V289 VanDerWaalsContact C-N 3.29Å; P287-V289 PolarHBondContact O-N 2.85Å; V289-L291 VanDerWaalsContact C-N 3.31Å; V289-L291 PolarHBondContact O-N 3Å; V289-L292 WeakPolarHBondContact O-CB 3.41Å; V289-L292 PolarHBondContact O-N 3.05Å; V289-L292 VanDerWaalsContact O-N 3.11Å; V289-L317 HydrophobicContact CG2-CD2 4.09Å; V289-E320 HydrophobicContact CG2-CB 4.1Å; V289-E320 HydrophobicContact CG2-CG 4.04Å; V289-V323 HydrophobicContact CB-CG1 4.38Å; V289-V323 HydrophobicContact CG1-CB 4.47Å; V289-V323 HydrophobicContact CG1-CG1 3.82Å; V289-V323 HydrophobicContact CG1-CG2 3.81Å; V289-V323 HydrophobicContact CG2-CB 4.49Å; V289-V323 HydrophobicContact CG2-CG1 4.26Å; V289-V323 HydrophobicContact CG2-CG2 4.01Å |
| 290 | T | 94.8 | Very high | 95.1 | Very high | 93 Ų | 93 | 48.7 Ų | 48.7 | 57% | 0.571 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.1 | -34.9 | -177.9 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | P286 P287 L292 S293 | P286-T290 WeakPolarHBondContact O-CB 3.36Å; P286-T290 PolarHBondContact O-N 3.46Å; P286-T290 PolarHBondContact O-OG1 3.35Å; P287-T290 WeakPolarHBondContact O-CB 3.09Å; P287-T290 PolarHBondContact O-N 3.02Å; P287-T290 VanDerWaalsContact O-N 3.08Å; T290-L292 PolarHBondContact O-N 3.27Å; T290-L292 VanDerWaalsContact O-N 3.13Å; T290-S293 VanDerWaalsContact O-CB 3.29Å; T290-S293 WeakPolarHBondContact O-CB 3.37Å; T290-S293 PolarHBondContact O-N 3.4Å; T290-S293 PolarHBondContact O-OG 3.45Å |
| 291 | L | 94.6 | Very high | 95.3 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.1 | -27.4 | 174.1 | -69 | 178.4 | 0 | 0 | 0 | 113.1 | V256 L257 P287 L288 V289 S293 G294 A302 | V256-L291 HydrophobicContact CB-CD2 4.19Å; V256-L291 HydrophobicContact CG1-CD1 4.22Å; V256-L291 HydrophobicContact CG1-CD2 4.16Å; V256-L291 HydrophobicContact CG1-CG 4.27Å; L257-L291 HydrophobicContact CD2-CD1 3.71Å; L257-L291 HydrophobicContact CG-CD1 4.05Å; P287-L291 WeakPolarHBondContact O-CG 3.43Å; P287-L291 PolarHBondContact O-N 3.49Å; L288-L291 HydrophobicContact CD2-CD1 4.34Å; V289-L291 VanDerWaalsContact C-N 3.31Å; V289-L291 PolarHBondContact O-N 3Å; L291-S293 PolarHBondContact O-N 3.07Å; L291-G294 PolarHBondContact O-N 3.28Å; L291-A302 HydrophobicContact CB-CB 3.7Å; L291-A302 HydrophobicContact CD1-CB 4.28Å |
| 292 | L | 95.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -1.9 | 178.1 | -56.7 | 179.6 | 0 | 0 | 0 | 113.6 | V289 T290 Q299 A302 L303 I306 V323 F324 | V289-L292 WeakPolarHBondContact O-CB 3.41Å; V289-L292 PolarHBondContact O-N 3.05Å; V289-L292 VanDerWaalsContact O-N 3.11Å; T290-L292 PolarHBondContact O-N 3.27Å; T290-L292 VanDerWaalsContact O-N 3.13Å; L292-Q299 WeakPolarHBondContact O-CG 3.43Å; L292-A302 HydrophobicContact CD2-CB 4.09Å; L292-L303 HydrophobicContact CD1-CD2 4.17Å; L292-L303 HydrophobicContact CD2-CD1 4.43Å; L292-L303 HydrophobicContact CD2-CD2 3.56Å; L292-L303 HydrophobicContact CD2-CG 3.59Å; L292-I306 HydrophobicContact CD1-CD1 4.18Å; L292-I306 HydrophobicContact CD2-CD1 3.96Å; L292-I306 HydrophobicContact CG-CD1 4.13Å; L292-V323 HydrophobicContact CB-CG1 4.49Å; L292-V323 HydrophobicContact CD1-CG1 3.66Å; L292-F324 HydrophobicContact CD1-CD1 4.13Å; L292-F324 HydrophobicContact CD1-CE1 3.68Å; L292-F324 HydrophobicContact CD1-CZ 4.31Å |
| 293 | S | 92.2 | Very high | 95.6 | Very high | 101 Ų | 101 | 42.9 Ų | 42.9 | 71% | 0.706 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -4.8 | 174.3 | -54.4 | 0 | 0 | 0 | 0 | 113.2 | T290 L291 | T290-S293 VanDerWaalsContact O-CB 3.29Å; T290-S293 WeakPolarHBondContact O-CB 3.37Å; T290-S293 PolarHBondContact O-N 3.4Å; T290-S293 PolarHBondContact O-OG 3.45Å; L291-S293 PolarHBondContact O-N 3.07Å |
| 294 | G | 90.8 | Very high | 95.7 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -75.8 | -173.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | L291 Q299 | L291-G294 PolarHBondContact O-N 3.28Å; G294-Q299 WeakPolarHBondContact O-CG 3.32Å; G294-Q299 PolarHBondContact O-NE2 3.23Å |
| 295 | E | 94 | Very high | 95.8 | Very high | 134 Ų | 134 | 40.2 Ų | 40.2 | 63% | 0.626 | 23% | 0.23 | S | C | * | . | trans | -64.1 | 156.3 | 173.1 | -66.1 | -60 | 149.9 | 0 | 0 | 111.7 | E297 V298 Q299 | E295-E297 PolarHBondContact O-N 3.42Å; E295-E297 VanDerWaalsContact O-N 3.11Å; E295-V298 CarbonylContact O-C 3.54Å; E295-V298 WeakPolarHBondContact O-CA 3.34Å; E295-V298 WeakPolarHBondContact O-CB 3.35Å; E295-V298 PolarHBondContact O-N 3.07Å; E295-Q299 WeakPolarHBondContact O-CG 3.23Å; E295-Q299 PolarHBondContact O-N 3.24Å | ||
| 296 | P | 95.3 | Very high | 95.8 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.2 | -34.1 | -172.9 | -26.7 | 35.1 | 0 | 0 | 0 | 115 | Q299 Y300 P331 Y333 V334 | P296-Q299 PolarHBondContact O-N 3.07Å; P296-Y300 WeakPolarHBondContact O-CB 3.46Å; P296-Y300 PolarHBondContact O-N 3.14Å; P296-P331 HydrophobicContact CB-CG 3.69Å; P296-P331 HydrophobicContact CG-CG 4.4Å; P296-Y333 WeakPolarHBondContact CB-OH 3.44Å; P296-V334 HydrophobicContact CB-CG2 4.41Å |
| 297 | E | 95.8 | Very high | 95.8 | Very high | 97 Ų | 97 | 36.4 Ų | 36.4 | 45% | 0.453 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.1 | -39.1 | 176.2 | -60.3 | 74.5 | -162.9 | 0 | 0 | 111 | E295 V301 K759 | E295-E297 PolarHBondContact O-N 3.42Å; E295-E297 VanDerWaalsContact O-N 3.11Å; E297-V301 WeakPolarHBondContact O-CG2 3.44Å; E297-V301 PolarHBondContact O-N 3.06Å; E297-V301 VanDerWaalsContact O-N 3.16Å; E297-K759 IonicContact OE1-NZ 2.85Å; E297-K759 PolarHBondContact OE1-NZ 3.45Å; E297-K759 VanDerWaalsContact OE1-NZ 3.07Å |
| 298 | V | 95.2 | Very high | 95.8 | Very high | 54 Ų | 54 | 35.8 Ų | 35.8 | 33% | 0.327 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.4 | -43.4 | 173.6 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | E295 Y300 V301 A302 | E295-V298 CarbonylContact O-C 3.54Å; E295-V298 WeakPolarHBondContact O-CA 3.34Å; E295-V298 WeakPolarHBondContact O-CB 3.35Å; E295-V298 PolarHBondContact O-N 3.07Å; V298-Y300 VanDerWaalsContact C-N 3.29Å; V298-Y300 PolarHBondContact O-N 2.87Å; V298-V301 PolarHBondContact O-N 3.26Å; V298-A302 WeakPolarHBondContact O-CB 3.42Å; V298-A302 PolarHBondContact O-N 3.17Å |
| 299 | Q | 96.4 | Very high | 95.8 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 175.4 | -66.4 | -177.9 | 36.2 | 0 | 0 | 110.9 | L292 G294 E295 P296 A302 L303 V334 | L292-Q299 WeakPolarHBondContact O-CG 3.43Å; G294-Q299 WeakPolarHBondContact O-CG 3.32Å; G294-Q299 PolarHBondContact O-NE2 3.23Å; E295-Q299 WeakPolarHBondContact O-CG 3.23Å; E295-Q299 PolarHBondContact O-N 3.24Å; P296-Q299 PolarHBondContact O-N 3.07Å; Q299-A302 PolarHBondContact O-N 3.45Å; Q299-L303 WeakPolarHBondContact O-CB 3.31Å; Q299-L303 WeakPolarHBondContact O-CG 3.14Å; Q299-L303 PolarHBondContact O-N 2.81Å; Q299-V334 HydrophobicContact CB-CG2 4.39Å |
| 300 | Y | 97.8 | Very high | 95.7 | Very high | 67 Ų | 67 | 34.4 Ų | 34.4 | 26% | 0.263 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.7 | -50.3 | 178.1 | 179.3 | -107.9 | 0 | 0 | 0 | 111.7 | P296 V298 A302 L303 R304 Y333 E337 V573 | P296-Y300 WeakPolarHBondContact O-CB 3.46Å; P296-Y300 PolarHBondContact O-N 3.14Å; V298-Y300 VanDerWaalsContact C-N 3.29Å; V298-Y300 PolarHBondContact O-N 2.87Å; Y300-A302 VanDerWaalsContact C-N 3.28Å; Y300-A302 PolarHBondContact O-N 3.17Å; Y300-L303 PolarHBondContact O-N 3.43Å; Y300-R304 HydrophobicContact CD1-CG 4.33Å; Y300-R304 HydrophobicContact CD2-CG 4.28Å; Y300-R304 HydrophobicContact CE1-CG 4.01Å; Y300-R304 HydrophobicContact CE2-CG 3.97Å; Y300-R304 HydrophobicContact CG-CG 4.47Å; Y300-R304 WeakPolarHBondContact O-CG 3.4Å; Y300-R304 PolarHBondContact O-N 3.44Å; Y300-Y333 AromaticContact CD2-CD2 3.59Å; Y300-Y333 HydrophobicContact CD2-CD2 3.59Å; Y300-Y333 HydrophobicContact CD2-CE2 4.4Å; Y300-Y333 HydrophobicContact CD2-CG 4.47Å; Y300-Y333 HydrophobicContact CE2-CD2 4.3Å; Y300-Y333 AromaticContact CG-CD2 3.76Å; Y300-Y333 HydrophobicContact CG-CD2 3.76Å; Y300-Y333 HydrophobicContact CG-CE2 4.15Å; Y300-E337 HydrophobicContact CD2-CG 3.96Å; Y300-E337 HydrophobicContact CE2-CG 3.67Å; Y300-V573 HydrophobicContact CE1-CG1 4.2Å |
| 301 | V | 97.4 | Very high | 95.6 | Very high | 51 Ų | 51 | 31.7 Ų | 31.7 | 31% | 0.309 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58 | -43 | 176.1 | 173.8 | 0 | 0 | 0 | 0 | 111 | L257 E297 V298 N305 V573 | L257-V301 HydrophobicContact CD1-CG1 4.26Å; E297-V301 WeakPolarHBondContact O-CG2 3.44Å; E297-V301 PolarHBondContact O-N 3.06Å; E297-V301 VanDerWaalsContact O-N 3.16Å; V298-V301 PolarHBondContact O-N 3.26Å; V301-N305 PolarHBondContact O-N 3.29Å; V301-N305 PolarHBondContact O-ND2 2.89Å; V301-V573 HydrophobicContact CG1-CG2 3.95Å; V301-V573 HydrophobicContact CG2-CG2 4.34Å |
| 302 | A | 97.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -46.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L291 L292 V298 Q299 Y300 R304 N305 I306 | L291-A302 HydrophobicContact CB-CB 3.7Å; L291-A302 HydrophobicContact CD1-CB 4.28Å; L292-A302 HydrophobicContact CD2-CB 4.09Å; V298-A302 WeakPolarHBondContact O-CB 3.42Å; V298-A302 PolarHBondContact O-N 3.17Å; Q299-A302 PolarHBondContact O-N 3.45Å; Y300-A302 VanDerWaalsContact C-N 3.28Å; Y300-A302 PolarHBondContact O-N 3.17Å; A302-R304 PolarHBondContact O-N 2.68Å; A302-N305 PolarHBondContact O-N 3.13Å; A302-I306 WeakPolarHBondContact O-CB 3.37Å; A302-I306 VanDerWaalsContact O-CG1 3.22Å; A302-I306 WeakPolarHBondContact O-CG1 3.43Å; A302-I306 PolarHBondContact O-N 3.27Å |
| 303 | L | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | 178.7 | -71.5 | 164.4 | 0 | 0 | 0 | 111.4 | L292 Q299 Y300 N305 I306 N307 F324 V334 E337 K338 I341 | L292-L303 HydrophobicContact CD1-CD2 4.17Å; L292-L303 HydrophobicContact CD2-CD1 4.43Å; L292-L303 HydrophobicContact CD2-CD2 3.56Å; L292-L303 HydrophobicContact CD2-CG 3.59Å; Q299-L303 WeakPolarHBondContact O-CB 3.31Å; Q299-L303 WeakPolarHBondContact O-CG 3.14Å; Q299-L303 PolarHBondContact O-N 2.81Å; Y300-L303 PolarHBondContact O-N 3.43Å; L303-N305 VanDerWaalsContact C-N 3.26Å; L303-N305 PolarHBondContact O-N 2.99Å; L303-I306 PolarHBondContact O-N 2.87Å; L303-N307 WeakPolarHBondContact O-CB 3.43Å; L303-N307 PolarHBondContact O-N 2.81Å; L303-F324 HydrophobicContact CD2-CD1 4.01Å; L303-F324 HydrophobicContact CD2-CE1 4.1Å; L303-V334 HydrophobicContact CD1-CB 4.48Å; L303-V334 HydrophobicContact CD1-CG1 3.81Å; L303-E337 HydrophobicContact CB-CB 3.92Å; L303-E337 HydrophobicContact CD1-CB 4.12Å; L303-K338 HydrophobicContact CD1-CG 3.96Å; L303-K338 HydrophobicContact CD2-CG 4Å; L303-I341 HydrophobicContact CB-CD1 4.1Å; L303-I341 HydrophobicContact CD2-CD1 3.57Å; L303-I341 HydrophobicContact CG-CD1 4.45Å |
| 304 | R | 97.5 | Very high | 95.4 | Very high | 35 Ų | 35 | 31.9 Ų | 31.9 | 13% | 0.132 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.4 | -39.2 | 177.1 | -63.7 | -71.6 | -75.4 | 158 | 7.2 | 111.7 | Y300 A302 E337 V573 H575 | Y300-R304 HydrophobicContact CD1-CG 4.33Å; Y300-R304 HydrophobicContact CD2-CG 4.28Å; Y300-R304 HydrophobicContact CE1-CG 4.01Å; Y300-R304 HydrophobicContact CE2-CG 3.97Å; Y300-R304 HydrophobicContact CG-CG 4.47Å; Y300-R304 WeakPolarHBondContact O-CG 3.4Å; Y300-R304 PolarHBondContact O-N 3.44Å; A302-R304 PolarHBondContact O-N 2.68Å; R304-E337 WeakPolarHBondContact CD-OE1 3.47Å; R304-E337 WeakPolarHBondContact CD-OE2 3.23Å; R304-E337 IonicContact CZ-OE1 2.94Å; R304-E337 IonicContact NE-OE1 2.63Å; R304-E337 IonicContact NH1-OE1 2.75Å; R304-E337 PolarHBondContact NH1-OE1 2.91Å; R304-E337 IonicContact NH1-OE2 2.81Å; R304-V573 HydrophobicContact CG-CG1 4.38Å; R304-V573 PolarHBondContact NE-O 2.7Å; R304-V573 PolarHBondContact NH2-O 2.9Å; R304-H575 VanDerWaalsContact CZ-ND1 3.33Å; R304-H575 PolarHBondContact NH1-CE1 3.22Å; R304-H575 PolarHBondContact NH1-ND1 3.13Å; R304-H575 VanDerWaalsContact NH1-ND1 3.16Å; R304-H575 PolarHBondContact NH2-ND1 3.1Å; R304-H575 VanDerWaalsContact NH2-ND1 3.2Å; R304-H575 PolarHBondContact O-NE2 3.38Å |
| 305 | N | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73 | -42.8 | 174.9 | -79.6 | -88.8 | 0 | 0 | 0 | 112.4 | L257 V301 A302 L303 N307 L308 I309 I567 G568 S572 | L257-N305 HydrophobicContact CD2-CB 4.11Å; V301-N305 PolarHBondContact O-N 3.29Å; V301-N305 PolarHBondContact O-ND2 2.89Å; A302-N305 PolarHBondContact O-N 3.13Å; L303-N305 VanDerWaalsContact C-N 3.26Å; L303-N305 PolarHBondContact O-N 2.99Å; N305-N307 PolarHBondContact O-N 2.82Å; N305-L308 WeakPolarHBondContact O-CB 3.41Å; N305-L308 PolarHBondContact O-N 3.04Å; N305-I309 WeakPolarHBondContact O-CG1 3.49Å; N305-I309 PolarHBondContact O-N 2.75Å; N305-I567 WeakPolarHBondContact OD1-CA 3.28Å; N305-I567 WeakPolarHBondContact OD1-CG2 3.37Å; N305-G568 PolarHBondContact OD1-N 3.28Å; N305-S572 PolarHBondContact ND2-OG 3.34Å; N305-S572 WeakPolarHBondContact OD1-CB 3.29Å; N305-S572 PolarHBondContact OD1-OG 2.93Å |
| 306 | I | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.8 | -38.3 | 175.3 | -73.7 | 164.2 | 0 | 0 | 0 | 110.7 | L288 L292 A302 L303 L308 I309 V310 L317 F324 I341 | L288-I306 HydrophobicContact CB-CD1 4.24Å; L288-I306 HydrophobicContact CB-CG1 4.24Å; L288-I306 HydrophobicContact CD2-CG1 4.01Å; L292-I306 HydrophobicContact CD1-CD1 4.18Å; L292-I306 HydrophobicContact CD2-CD1 3.96Å; L292-I306 HydrophobicContact CG-CD1 4.13Å; A302-I306 WeakPolarHBondContact O-CB 3.37Å; A302-I306 VanDerWaalsContact O-CG1 3.22Å; A302-I306 WeakPolarHBondContact O-CG1 3.43Å; A302-I306 PolarHBondContact O-N 3.27Å; L303-I306 PolarHBondContact O-N 2.87Å; I306-L308 VanDerWaalsContact C-N 3.33Å; I306-L308 PolarHBondContact O-N 2.69Å; I306-I309 PolarHBondContact O-N 2.9Å; I306-I309 VanDerWaalsContact O-N 3.15Å; I306-V310 HydrophobicContact CG2-CG2 3.92Å; I306-V310 WeakPolarHBondContact O-CB 3.33Å; I306-V310 WeakPolarHBondContact O-CG2 3.47Å; I306-V310 PolarHBondContact O-N 2.97Å; I306-L317 HydrophobicContact CG2-CD1 3.5Å; I306-F324 HydrophobicContact CG2-CE1 3.99Å; I306-F324 HydrophobicContact CG2-CZ 4.06Å; I306-I341 HydrophobicContact CB-CD1 4.31Å; I306-I341 HydrophobicContact CG2-CD1 3.93Å; I306-I341 HydrophobicContact CG2-CG2 4.47Å |
| 307 | N | 94.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.3 | -45.5 | 177.1 | -168.3 | -26.9 | 0 | 0 | 0 | 111.2 | L303 N305 Q311 E337 I341 R344 | L303-N307 WeakPolarHBondContact O-CB 3.43Å; L303-N307 PolarHBondContact O-N 2.81Å; N305-N307 PolarHBondContact O-N 2.82Å; N307-Q311 WeakPolarHBondContact O-CG 3.42Å; N307-Q311 PolarHBondContact O-N 3.32Å; N307-Q311 PolarHBondContact OD1-NE2 2.96Å; N307-E337 PolarHBondContact ND2-OE2 2.88Å; N307-I341 HydrophobicContact CB-CD1 4.38Å; N307-I341 HydrophobicContact CB-CG1 4.15Å; N307-R344 PolarHBondContact OD1-NE 3.45Å |
| 308 | L | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 173.8 | -60.1 | 175.4 | 0 | 0 | 0 | 111.8 | N305 I306 V310 Q311 K312 I555 L560 L563 I564 | N305-L308 WeakPolarHBondContact O-CB 3.41Å; N305-L308 PolarHBondContact O-N 3.04Å; I306-L308 VanDerWaalsContact C-N 3.33Å; I306-L308 PolarHBondContact O-N 2.69Å; L308-V310 VanDerWaalsContact C-N 3.35Å; L308-V310 PolarHBondContact O-N 3.25Å; L308-Q311 PolarHBondContact O-N 2.85Å; L308-K312 PolarHBondContact O-N 2.98Å; L308-K312 VanDerWaalsContact O-N 3.09Å; L308-I555 HydrophobicContact CD2-CD1 3.43Å; L308-I555 VanDerWaalsContact CD2-CD1 3.43Å; L308-L560 HydrophobicContact CB-CD1 4.17Å; L308-L560 HydrophobicContact CD2-CD1 3.89Å; L308-L563 HydrophobicContact CD1-CB 3.91Å; L308-L563 HydrophobicContact CD2-CB 4.22Å; L308-L563 HydrophobicContact CD2-CD1 3.95Å; L308-I564 HydrophobicContact CB-CD1 3.99Å |
| 309 | I | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | -179.2 | -66.1 | 164.8 | 0 | 0 | 0 | 111 | V260 M264 L288 N305 I306 K312 R313 I316 I567 | V260-I309 HydrophobicContact CG1-CD1 3.64Å; M264-I309 HydrophobicContact CE-CB 4.37Å; M264-I309 HydrophobicContact CE-CG1 4.26Å; M264-I309 HydrophobicContact CE-CG2 3.97Å; M264-I309 HydrophobicContact CG-CG1 4.5Å; M264-I309 HydrophobicContact SD-CG2 4.08Å; L288-I309 HydrophobicContact CD1-CD1 4.2Å; L288-I309 HydrophobicContact CD1-CG2 4.18Å; L288-I309 HydrophobicContact CD2-CD1 3.81Å; N305-I309 WeakPolarHBondContact O-CG1 3.49Å; N305-I309 PolarHBondContact O-N 2.75Å; I306-I309 PolarHBondContact O-N 2.9Å; I306-I309 VanDerWaalsContact O-N 3.15Å; I309-K312 PolarHBondContact O-N 2.83Å; I309-R313 PolarHBondContact O-N 3.06Å; I309-I316 HydrophobicContact CG2-CD1 3.77Å; I309-I567 HydrophobicContact CD1-CD1 4.25Å; I309-I567 HydrophobicContact CG1-CD1 3.94Å |
| 310 | V | 94.2 | Very high | 94.7 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.7 | -34.5 | 179.5 | 168.6 | 0 | 0 | 0 | 0 | 111.7 | I306 L308 K312 P314 L317 R344 L345 | I306-V310 HydrophobicContact CG2-CG2 3.92Å; I306-V310 WeakPolarHBondContact O-CB 3.33Å; I306-V310 WeakPolarHBondContact O-CG2 3.47Å; I306-V310 PolarHBondContact O-N 2.97Å; L308-V310 VanDerWaalsContact C-N 3.35Å; L308-V310 PolarHBondContact O-N 3.25Å; V310-K312 VanDerWaalsContact C-N 3.31Å; V310-P314 HydrophobicContact CG1-CB 4.41Å; V310-P314 WeakPolarHBondContact O-CA 3.45Å; V310-P314 WeakPolarHBondContact O-CB 3.48Å; V310-P314 VanDerWaalsContact O-CD 3.3Å; V310-P314 WeakPolarHBondContact O-CD 3.29Å; V310-P314 VanDerWaalsContact O-N 3.16Å; V310-L317 HydrophobicContact CG2-CB 4.28Å; V310-L317 HydrophobicContact CG2-CD1 3.68Å; V310-R344 HydrophobicContact CG1-CB 4.08Å; V310-L345 HydrophobicContact CG1-CD2 3.53Å; V310-L345 HydrophobicContact CG1-CG 3.9Å; V310-L345 HydrophobicContact CG2-CD2 4.18Å |
| 311 | Q | 92.7 | Very high | 94.5 | Very high | 36 Ų | 36 | 33.3 Ų | 33.3 | 17% | 0.168 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -36.3 | 172.9 | -75.8 | -175 | 70.7 | 0 | 0 | 111.9 | N307 L308 L560 | N307-Q311 WeakPolarHBondContact O-CG 3.42Å; N307-Q311 PolarHBondContact O-N 3.32Å; N307-Q311 PolarHBondContact OD1-NE2 2.96Å; L308-Q311 PolarHBondContact O-N 2.85Å; Q311-L560 HydrophobicContact CB-CD1 4.2Å; Q311-L560 HydrophobicContact CB-CD2 3.87Å |
| 312 | K | 93.4 | Very high | 94.3 | Very high | 58 Ų | 58 | 37.3 Ų | 37.3 | 25% | 0.252 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -80.4 | -43 | 178.1 | -172.7 | 66.9 | 178.1 | -172.1 | 0 | 113.1 | M264 E268 L308 I309 V310 L560 D561 I564 | M264-K312 HydrophobicContact CE-CB 4.37Å; M264-K312 HydrophobicContact CE-CG 4.38Å; E268-K312 WeakPolarHBondContact OE1-CE 3.46Å; E268-K312 IonicContact OE1-NZ 3.37Å; L308-K312 PolarHBondContact O-N 2.98Å; L308-K312 VanDerWaalsContact O-N 3.09Å; I309-K312 PolarHBondContact O-N 2.83Å; V310-K312 VanDerWaalsContact C-N 3.31Å; K312-L560 HydrophobicContact CB-CD2 4.19Å; K312-L560 HydrophobicContact CD-CD2 4.44Å; K312-D561 WeakPolarHBondContact CE-OD1 3.28Å; K312-D561 IonicContact NZ-OD1 3.77Å; K312-D561 PolarHBondContact NZ-OD1 2.63Å; K312-D561 IonicContact NZ-OD2 2.77Å; K312-I564 HydrophobicContact CB-CD1 4.27Å; K312-I564 HydrophobicContact CB-CG1 4.46Å |
| 313 | R | 93.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | trans | -142.8 | 77.1 | -174 | -62.3 | -164.7 | -171.8 | 110.7 | 2 | 111.3 | M264 L267 E268 Y277 I309 E315 I316 | M264-R313 HydrophobicContact CE-CG 4.48Å; M264-R313 PolarHBondContact O-NH1 3.04Å; M264-R313 VanDerWaalsContact O-NH1 3.07Å; M264-R313 PolarHBondContact O-NH2 3.44Å; M264-R313 PolarHBondContact SD-NH1 2.98Å; L267-R313 VanDerWaalsContact CB-NH1 3.26Å; L267-R313 VanDerWaalsContact CB-NH2 3.27Å; E268-R313 IonicContact OE1-CZ 3.97Å; E268-R313 IonicContact OE1-NH2 3.47Å; E268-R313 PolarHBondContact OE1-NH2 3.13Å; Y277-R313 PolarHBondContact OH-NE 2.85Å; I309-R313 PolarHBondContact O-N 3.06Å; R313-E315 PolarHBondContact O-N 2.88Å; R313-E315 VanDerWaalsContact O-N 3.15Å; R313-I316 HydrophobicContact CB-CD1 3.77Å; R313-I316 HydrophobicContact CB-CG1 4.05Å; R313-I316 PolarHBondContact O-N 2.83Å | ||
| 314 | P | 91.6 | Very high | 94.1 | Very high | 57 Ų | 57 | 39.2 Ų | 39.2 | 37% | 0.37 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -62.4 | -22.5 | -178.7 | 25.5 | -33.9 | 0 | 0 | 0 | 112.8 | V310 I316 L317 K318 | V310-P314 HydrophobicContact CG1-CB 4.41Å; V310-P314 WeakPolarHBondContact O-CA 3.45Å; V310-P314 WeakPolarHBondContact O-CB 3.48Å; V310-P314 VanDerWaalsContact O-CD 3.3Å; V310-P314 WeakPolarHBondContact O-CD 3.29Å; V310-P314 VanDerWaalsContact O-N 3.16Å; P314-I316 PolarHBondContact O-N 2.93Å; P314-L317 PolarHBondContact O-N 3.18Å; P314-K318 PolarHBondContact O-N 2.97Å |
| 315 | E | 91.7 | Very high | 94.1 | Very high | 74 Ų | 74 | 39 Ų | 39 | 35% | 0.346 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -63.5 | -19.5 | 179.9 | 64.6 | -86.5 | -169.8 | 0 | 0 | 114.9 | L281 R313 K318 | L281-E315 HydrophobicContact CD1-CG 3.77Å; R313-E315 PolarHBondContact O-N 2.88Å; R313-E315 VanDerWaalsContact O-N 3.15Å; E315-K318 HydrophobicContact CB-CD 4.33Å |
| 316 | I | 95.5 | Very high | 93.9 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.046 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -63.8 | -45.2 | 177.6 | -62.3 | 173.9 | 0 | 0 | 0 | 110.2 | M264 L281 L284 A285 L288 I309 R313 P314 | M264-I316 HydrophobicContact SD-CD1 3.95Å; L281-I316 HydrophobicContact CB-CG1 4.36Å; L281-I316 HydrophobicContact CD2-CD1 3.97Å; L281-I316 HydrophobicContact CD2-CG1 3.77Å; L284-I316 HydrophobicContact CB-CG2 3.87Å; L284-I316 HydrophobicContact CD1-CD1 4.02Å; A285-I316 HydrophobicContact CB-CG2 4.19Å; A285-I316 WeakPolarHBondContact CB-O 3.4Å; L288-I316 HydrophobicContact CD1-CG2 4.03Å; I309-I316 HydrophobicContact CG2-CD1 3.77Å; R313-I316 HydrophobicContact CB-CD1 3.77Å; R313-I316 HydrophobicContact CB-CG1 4.05Å; R313-I316 PolarHBondContact O-N 2.83Å; P314-I316 PolarHBondContact O-N 2.93Å |
| 317 | L | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 9.4 | -172.4 | -71.4 | 165.2 | 0 | 0 | 0 | 113.9 | A285 L288 V289 I306 V310 P314 Q319 E320 F324 L345 | A285-L317 HydrophobicContact CB-CD2 4.23Å; L288-L317 HydrophobicContact CB-CD2 4.41Å; L288-L317 HydrophobicContact CD1-CD1 4.1Å; L288-L317 HydrophobicContact CD1-CG 4.46Å; V289-L317 HydrophobicContact CG2-CD2 4.09Å; I306-L317 HydrophobicContact CG2-CD1 3.5Å; V310-L317 HydrophobicContact CG2-CB 4.28Å; V310-L317 HydrophobicContact CG2-CD1 3.68Å; P314-L317 PolarHBondContact O-N 3.18Å; L317-Q319 PolarHBondContact O-N 3.41Å; L317-E320 HydrophobicContact CD2-CB 4.1Å; L317-E320 HydrophobicContact CD2-CG 4.26Å; L317-E320 PolarHBondContact O-N 3.26Å; L317-F324 HydrophobicContact CB-CE2 4.45Å; L317-F324 HydrophobicContact CD1-CZ 3.91Å; L317-F324 HydrophobicContact CD2-CZ 4.43Å; L317-L345 HydrophobicContact CB-CD1 4.03Å; L317-L345 HydrophobicContact CB-CD2 4.31Å |
| 318 | K | 88.4 | Confident | 93.3 | Very high | 124 Ų | 124 | 52.1 Ų | 52.1 | 54% | 0.539 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -29 | -176.7 | 73.7 | -176 | 174.6 | -175.3 | 0 | 114.9 | P314 E315 | P314-K318 PolarHBondContact O-N 2.97Å; E315-K318 HydrophobicContact CB-CD 4.33Å |
| 319 | Q | 89.3 | Confident | 92.9 | Very high | 162 Ų | 162 | 56.9 Ų | 56.9 | 76% | 0.757 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -11.6 | -178.5 | -61.9 | -173.6 | -31.8 | 0 | 0 | 113.2 | L317 | L317-Q319 PolarHBondContact O-N 3.41Š|
| 320 | E | 91.8 | Very high | 92.8 | Very high | 72 Ų | 72 | 57.4 Ų | 57.4 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | trans | -101.7 | 27 | -169.6 | -60 | -59.2 | 157.5 | 0 | 0 | 112.9 | V289 L317 K322 V323 F324 | V289-E320 HydrophobicContact CG2-CB 4.1Å; V289-E320 HydrophobicContact CG2-CG 4.04Å; L317-E320 HydrophobicContact CD2-CB 4.1Å; L317-E320 HydrophobicContact CD2-CG 4.26Å; L317-E320 PolarHBondContact O-N 3.26Å; E320-K322 PolarHBondContact O-N 3.48Å; E320-K322 VanDerWaalsContact O-N 3.13Å; E320-V323 HydrophobicContact CB-CG2 4.22Å; E320-V323 WeakPolarHBondContact O-CB 3.3Å; E320-V323 PolarHBondContact O-N 3.12Å; E320-V323 VanDerWaalsContact O-N 3.1Å; E320-F324 WeakPolarHBondContact O-CD2 3.49Å | ||
| 321 | I | 94 | Very high | 92.9 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -55.8 | -36.1 | -173.6 | -169.6 | 61.6 | 0 | 0 | 0 | 113.2 | V323 F324 F325 M342 L345 N350 V354 | I321-V323 PolarHBondContact O-N 3.35Å; I321-F324 PolarHBondContact O-N 3.37Å; I321-F324 VanDerWaalsContact O-N 3.13Å; I321-F325 HydrophobicContact CG1-CE1 4.1Å; I321-M342 HydrophobicContact CD1-CB 4.39Å; I321-M342 HydrophobicContact CD1-CG 4.25Å; I321-L345 HydrophobicContact CD1-CB 3.78Å; I321-N350 HydrophobicContact CG2-CB 4.19Å; I321-V354 HydrophobicContact CD1-CG2 4.18Å; I321-V354 HydrophobicContact CG1-CG2 3.87Å |
| 322 | K | 94.1 | Very high | 92.9 | Very high | 135 Ų | 135 | 60.5 Ų | 60.5 | 59% | 0.587 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -64.1 | -25.1 | -177.3 | -63.4 | -175 | 177.4 | -177.7 | 0 | 113.3 | E320 F324 F325 | E320-K322 PolarHBondContact O-N 3.48Å; E320-K322 VanDerWaalsContact O-N 3.13Å; K322-F324 PolarHBondContact O-N 3.14Å; K322-F325 HydrophobicContact CB-CD2 4.23Å; K322-F325 HydrophobicContact CB-CE2 4.06Å; K322-F325 HydrophobicContact CB-CZ 4.47Å; K322-F325 HydrophobicContact CG-CD2 4.43Å; K322-F325 HydrophobicContact CG-CE2 3.79Å; K322-F325 HydrophobicContact CG-CZ 4.09Å; K322-F325 WeakPolarHBondContact O-CB 3.33Å; K322-F325 WeakPolarHBondContact O-CG 3.44Å; K322-F325 PolarHBondContact O-N 3.1Å |
| 323 | V | 94 | Very high | 93 | Very high | 41 Ų | 41 | 61.3 Ų | 61.3 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -67 | -28.6 | 179.3 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | V289 L292 E320 I321 F325 | V289-V323 HydrophobicContact CB-CG1 4.38Å; V289-V323 HydrophobicContact CG1-CB 4.47Å; V289-V323 HydrophobicContact CG1-CG1 3.82Å; V289-V323 HydrophobicContact CG1-CG2 3.81Å; V289-V323 HydrophobicContact CG2-CB 4.49Å; V289-V323 HydrophobicContact CG2-CG1 4.26Å; V289-V323 HydrophobicContact CG2-CG2 4.01Å; L292-V323 HydrophobicContact CB-CG1 4.49Å; L292-V323 HydrophobicContact CD1-CG1 3.66Å; E320-V323 HydrophobicContact CB-CG2 4.22Å; E320-V323 WeakPolarHBondContact O-CB 3.3Å; E320-V323 PolarHBondContact O-N 3.12Å; E320-V323 VanDerWaalsContact O-N 3.1Å; I321-V323 PolarHBondContact O-N 3.35Å; V323-F325 VanDerWaalsContact C-N 3.3Å |
| 324 | F | 96.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -86.3 | 0.4 | 179.1 | -56.1 | -75.8 | 0 | 0 | 0 | 113.2 | L292 L303 I306 L317 E320 I321 K322 V326 K338 I341 M342 L345 | L292-F324 HydrophobicContact CD1-CD1 4.13Å; L292-F324 HydrophobicContact CD1-CE1 3.68Å; L292-F324 HydrophobicContact CD1-CZ 4.31Å; L303-F324 HydrophobicContact CD2-CD1 4.01Å; L303-F324 HydrophobicContact CD2-CE1 4.1Å; I306-F324 HydrophobicContact CG2-CE1 3.99Å; I306-F324 HydrophobicContact CG2-CZ 4.06Å; L317-F324 HydrophobicContact CB-CE2 4.45Å; L317-F324 HydrophobicContact CD1-CZ 3.91Å; L317-F324 HydrophobicContact CD2-CZ 4.43Å; E320-F324 WeakPolarHBondContact O-CD2 3.49Å; I321-F324 PolarHBondContact O-N 3.37Å; I321-F324 VanDerWaalsContact O-N 3.13Å; K322-F324 PolarHBondContact O-N 3.14Å; F324-V326 PolarHBondContact O-N 3.21Å; F324-K338 WeakPolarHBondContact O-CB 3.13Å; F324-K338 WeakPolarHBondContact O-CD 3.06Å; F324-I341 HydrophobicContact CD1-CB 4.13Å; F324-I341 HydrophobicContact CD1-CD1 4.27Å; F324-I341 HydrophobicContact CD1-CG2 3.61Å; F324-I341 HydrophobicContact CD2-CG2 4.11Å; F324-I341 HydrophobicContact CE1-CB 4.45Å; F324-I341 HydrophobicContact CE1-CD1 4.15Å; F324-I341 HydrophobicContact CE1-CG2 3.64Å; F324-I341 HydrophobicContact CE2-CG2 4.14Å; F324-I341 HydrophobicContact CG-CG2 3.86Å; F324-I341 HydrophobicContact CZ-CG2 3.93Å; F324-M342 HydrophobicContact CB-CG 3.64Å; F324-M342 HydrophobicContact CB-SD 4.48Å; F324-L345 HydrophobicContact CD2-CD1 3.82Å; F324-L345 HydrophobicContact CE2-CD1 3.55Å; F324-L345 HydrophobicContact CZ-CD1 4.32Å |
| 325 | F | 97.2 | Very high | 93.4 | Very high | 30 Ų | 30 | 59 Ų | 59 | 13% | 0.132 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -64.2 | 136.8 | 173.9 | -63.9 | -9.9 | 0 | 0 | 0 | 110.1 | I321 K322 V323 K338 M342 Q353 E357 Y361 | I321-F325 HydrophobicContact CG1-CE1 4.1Å; K322-F325 HydrophobicContact CB-CD2 4.23Å; K322-F325 HydrophobicContact CB-CE2 4.06Å; K322-F325 HydrophobicContact CB-CZ 4.47Å; K322-F325 HydrophobicContact CG-CD2 4.43Å; K322-F325 HydrophobicContact CG-CE2 3.79Å; K322-F325 HydrophobicContact CG-CZ 4.09Å; K322-F325 WeakPolarHBondContact O-CB 3.33Å; K322-F325 WeakPolarHBondContact O-CG 3.44Å; K322-F325 PolarHBondContact O-N 3.1Å; V323-F325 VanDerWaalsContact C-N 3.3Å; F325-K338 PolarHBondContact O-NZ 2.91Å; F325-K338 VanDerWaalsContact O-NZ 3.17Å; F325-M342 HydrophobicContact CD1-CE 3.66Å; F325-M342 HydrophobicContact CD1-SD 3.96Å; F325-M342 HydrophobicContact CE1-CE 3.8Å; F325-Q353 HydrophobicContact CZ-CB 4.31Å; F325-E357 HydrophobicContact CD1-CG 3.98Å; F325-E357 VanDerWaalsContact CD2-CD 3.47Å; F325-E357 HydrophobicContact CD2-CG 3.68Å; F325-E357 HydrophobicContact CE1-CG 3.85Å; F325-E357 HydrophobicContact CE2-CG 3.52Å; F325-E357 HydrophobicContact CG-CG 3.92Å; F325-E357 HydrophobicContact CZ-CG 3.63Å; F325-Y361 WeakPolarHBondContact CA-OH 3.49Å; F325-Y361 WeakPolarHBondContact CB-OH 3.41Å |
| 326 | V | 95.1 | Very high | 93.6 | Very high | 17 Ų | 17 | 57.8 Ų | 57.8 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 130 | -175.2 | 172.7 | 0 | 0 | 0 | 0 | 108.9 | F324 K335 K338 Y361 F369 | F324-V326 PolarHBondContact O-N 3.21Å; V326-K335 HydrophobicContact CG1-CB 3.98Å; V326-K335 HydrophobicContact CG1-CD 3.56Å; V326-K335 HydrophobicContact CG1-CG 3.5Å; V326-K335 VanDerWaalsContact CG1-CG 3.5Å; V326-K335 HydrophobicContact CG2-CB 4.28Å; V326-K338 HydrophobicContact CG2-CB 4.02Å; V326-K338 HydrophobicContact CG2-CD 4.21Å; V326-Y361 HydrophobicContact CB-CE1 4.12Å; V326-Y361 HydrophobicContact CB-CE2 4.05Å; V326-Y361 HydrophobicContact CG2-CE2 4Å; V326-Y361 PolarHBondContact N-OH 3.29Å; V326-F369 HydrophobicContact CB-CZ 4.38Å; V326-F369 HydrophobicContact CG1-CZ 4.09Å; V326-F369 HydrophobicContact CG2-CZ 4.1Å |
| 327 | K | 92.8 | Very high | 93.6 | Very high | 111 Ų | 111 | 58.1 Ų | 58.1 | 48% | 0.483 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -91 | 151.4 | 172.7 | -56.8 | 174.4 | -177.4 | 170.6 | 0 | 108.9 | N329 D330 | K327-N329 VanDerWaalsContact CB-OD1 3.27Å; K327-N329 WeakPolarHBondContact CB-OD1 3.4Å; K327-N329 PolarHBondContact O-N 3.01Å; K327-N329 VanDerWaalsContact O-N 3.15Å; K327-D330 PolarHBondContact N-OD2 3.34Å; K327-D330 WeakPolarHBondContact O-CB 3.39Å; K327-D330 PolarHBondContact O-N 2.95Å; K327-D330 VanDerWaalsContact O-N 3.09Å |
| 328 | Y | 86.9 | Confident | 93.7 | Very high | 151 Ų | 151 | 58.2 Ų | 58.2 | 59% | 0.592 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.9 | 179.4 | 75.7 | -87.6 | 0 | 0 | 0 | 112.8 | Y815 | Y328-Y815 HydrophobicContact CE2-CE1 4.47Å; Y328-Y815 PolarHBondContact OH-OH 3.47Å |
| 329 | N | 87.2 | Confident | 94 | Very high | 101 Ų | 101 | 52.6 Ų | 52.6 | 54% | 0.54 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 0.1 | -178.2 | 67.7 | -36.1 | 0 | 0 | 0 | 114.3 | K327 | K327-N329 VanDerWaalsContact CB-OD1 3.27Å; K327-N329 WeakPolarHBondContact CB-OD1 3.4Å; K327-N329 PolarHBondContact O-N 3.01Å; K327-N329 VanDerWaalsContact O-N 3.15Å |
| 330 | D | 94.4 | Very high | 94.2 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -66.9 | 133.9 | 174.7 | -71.3 | -21.8 | 0 | 0 | 0 | 109.1 | K327 V334 K335 K338 | K327-D330 PolarHBondContact N-OD2 3.34Å; K327-D330 WeakPolarHBondContact O-CB 3.39Å; K327-D330 PolarHBondContact O-N 2.95Å; K327-D330 VanDerWaalsContact O-N 3.09Å; D330-V334 HydrophobicContact CB-CB 4.39Å; D330-V334 HydrophobicContact CB-CG1 4.08Å; D330-K335 HydrophobicContact CB-CG 3.83Å; D330-K335 WeakPolarHBondContact O-CE 3.49Å; D330-K338 IonicContact OD1-NZ 2.85Å; D330-K338 IonicContact OD2-NZ 2.68Å; D330-K338 PolarHBondContact OD2-NZ 3.19Å |
| 331 | P | 94.8 | Very high | 94.4 | Very high | 33 Ų | 33 | 43.9 Ų | 43.9 | 21% | 0.214 | 21% | 0.207 | C | C | . | . | trans | -68.8 | 155.4 | 173.4 | 29.7 | -34.3 | 0 | 0 | 0 | 110.6 | P296 Y333 V334 K335 | P296-P331 HydrophobicContact CB-CG 3.69Å; P296-P331 HydrophobicContact CG-CG 4.4Å; P331-Y333 VanDerWaalsContact C-N 3.28Å; P331-Y333 HydrophobicContact CB-CD1 3.92Å; P331-Y333 HydrophobicContact CB-CE1 3.45Å; P331-Y333 VanDerWaalsContact CB-CE1 3.45Å; P331-Y333 HydrophobicContact CG-CD1 4.19Å; P331-Y333 HydrophobicContact CG-CD2 4.46Å; P331-Y333 HydrophobicContact CG-CE1 3.57Å; P331-Y333 HydrophobicContact CG-CE2 3.89Å; P331-Y333 PolarHBondContact O-N 3.37Å; P331-Y333 VanDerWaalsContact O-N 3.13Å; P331-V334 HydrophobicContact CG-CB 4.08Å; P331-V334 HydrophobicContact CG-CG2 3.76Å; P331-V334 WeakPolarHBondContact O-CA 3.36Å; P331-V334 WeakPolarHBondContact O-CB 3.2Å; P331-V334 PolarHBondContact O-N 3.37Å; P331-K335 PolarHBondContact O-N 3.08Å | ||
| 332 | I | 94.1 | Very high | 94.4 | Very high | 70 Ų | 70 | 43.6 Ų | 43.6 | 36% | 0.359 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -51 | -44.8 | -172.9 | -172.7 | 59.5 | 0 | 0 | 0 | 113 | V334 K335 L336 F369 | I332-V334 VanDerWaalsContact C-N 3.26Å; I332-V334 PolarHBondContact O-N 2.85Å; I332-K335 WeakPolarHBondContact O-CB 3.4Å; I332-K335 PolarHBondContact O-N 3.27Å; I332-L336 HydrophobicContact CD1-CD2 4.26Å; I332-L336 HydrophobicContact CD1-CG 4.21Å; I332-L336 HydrophobicContact CG1-CD1 4.23Å; I332-L336 HydrophobicContact CG1-CG 4.25Å; I332-L336 VanDerWaalsContact O-CG 3.27Å; I332-L336 WeakPolarHBondContact O-CG 2.96Å; I332-L336 PolarHBondContact O-N 3.03Å; I332-F369 HydrophobicContact CD1-CB 3.75Å; I332-F369 HydrophobicContact CD1-CD2 4.03Å; I332-F369 HydrophobicContact CD1-CG 4.18Å |
| 333 | Y | 95.2 | Very high | 94.3 | Very high | 75 Ų | 75 | 37.5 Ų | 37.5 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.1 | -29.5 | -179.6 | 61 | -95.8 | 0 | 0 | 0 | 113.5 | P296 Y300 P331 E337 | P296-Y333 WeakPolarHBondContact CB-OH 3.44Å; Y300-Y333 AromaticContact CD2-CD2 3.59Å; Y300-Y333 HydrophobicContact CD2-CD2 3.59Å; Y300-Y333 HydrophobicContact CD2-CE2 4.4Å; Y300-Y333 HydrophobicContact CD2-CG 4.47Å; Y300-Y333 HydrophobicContact CE2-CD2 4.3Å; Y300-Y333 AromaticContact CG-CD2 3.76Å; Y300-Y333 HydrophobicContact CG-CD2 3.76Å; Y300-Y333 HydrophobicContact CG-CE2 4.15Å; P331-Y333 VanDerWaalsContact C-N 3.28Å; P331-Y333 HydrophobicContact CB-CD1 3.92Å; P331-Y333 HydrophobicContact CB-CE1 3.45Å; P331-Y333 VanDerWaalsContact CB-CE1 3.45Å; P331-Y333 HydrophobicContact CG-CD1 4.19Å; P331-Y333 HydrophobicContact CG-CD2 4.46Å; P331-Y333 HydrophobicContact CG-CE1 3.57Å; P331-Y333 HydrophobicContact CG-CE2 3.89Å; P331-Y333 PolarHBondContact O-N 3.37Å; P331-Y333 VanDerWaalsContact O-N 3.13Å; Y333-E337 PolarHBondContact O-N 3.26Å |
| 334 | V | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75.7 | -43.4 | 171.7 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | P296 Q299 L303 D330 P331 I332 L336 E337 K338 | P296-V334 HydrophobicContact CB-CG2 4.41Å; Q299-V334 HydrophobicContact CB-CG2 4.39Å; L303-V334 HydrophobicContact CD1-CB 4.48Å; L303-V334 HydrophobicContact CD1-CG1 3.81Å; D330-V334 HydrophobicContact CB-CB 4.39Å; D330-V334 HydrophobicContact CB-CG1 4.08Å; P331-V334 HydrophobicContact CG-CB 4.08Å; P331-V334 HydrophobicContact CG-CG2 3.76Å; P331-V334 WeakPolarHBondContact O-CA 3.36Å; P331-V334 WeakPolarHBondContact O-CB 3.2Å; P331-V334 PolarHBondContact O-N 3.37Å; I332-V334 VanDerWaalsContact C-N 3.26Å; I332-V334 PolarHBondContact O-N 2.85Å; V334-L336 VanDerWaalsContact C-N 3.27Å; V334-L336 PolarHBondContact O-N 3.36Å; V334-E337 PolarHBondContact O-N 2.86Å; V334-K338 HydrophobicContact CG1-CD 4.15Å; V334-K338 HydrophobicContact CG1-CG 4.44Å; V334-K338 WeakPolarHBondContact O-CB 3.11Å; V334-K338 WeakPolarHBondContact O-CG 3.22Å; V334-K338 PolarHBondContact O-N 2.83Å |
| 335 | K | 96.6 | Very high | 94 | Very high | 16 Ų | 16 | 38 Ų | 38 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.7 | -43.8 | 177.7 | -58.8 | -163.7 | 167.7 | -175.4 | 0 | 111.3 | V326 D330 P331 I332 L339 E364 F369 | V326-K335 HydrophobicContact CG1-CB 3.98Å; V326-K335 HydrophobicContact CG1-CD 3.56Å; V326-K335 HydrophobicContact CG1-CG 3.5Å; V326-K335 VanDerWaalsContact CG1-CG 3.5Å; V326-K335 HydrophobicContact CG2-CB 4.28Å; D330-K335 HydrophobicContact CB-CG 3.83Å; D330-K335 WeakPolarHBondContact O-CE 3.49Å; P331-K335 PolarHBondContact O-N 3.08Å; I332-K335 WeakPolarHBondContact O-CB 3.4Å; I332-K335 PolarHBondContact O-N 3.27Å; K335-L339 WeakPolarHBondContact O-CB 3.44Å; K335-L339 PolarHBondContact O-N 3.45Å; K335-E364 IonicContact NZ-OE1 3.85Å; K335-E364 PolarHBondContact NZ-OE1 3.29Å; K335-F369 HydrophobicContact CB-CD2 3.89Å; K335-F369 HydrophobicContact CB-CE2 3.51Å; K335-F369 HydrophobicContact CB-CZ 4.09Å; K335-F369 HydrophobicContact CD-CD1 4.31Å; K335-F369 HydrophobicContact CD-CD2 4.24Å; K335-F369 HydrophobicContact CD-CE1 4.18Å; K335-F369 HydrophobicContact CD-CE2 4.16Å; K335-F369 HydrophobicContact CD-CG 4.34Å; K335-F369 HydrophobicContact CD-CZ 4.12Å; K335-F369 HydrophobicContact CG-CE2 4.42Å |
| 336 | L | 94.8 | Very high | 93.8 | Very high | 48 Ų | 48 | 36.8 Ų | 36.8 | 25% | 0.251 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.3 | -47.9 | -179.6 | -65.4 | -177.9 | 0 | 0 | 0 | 112.7 | I332 V334 K338 L339 D340 F369 K372 | I332-L336 HydrophobicContact CD1-CD2 4.26Å; I332-L336 HydrophobicContact CD1-CG 4.21Å; I332-L336 HydrophobicContact CG1-CD1 4.23Å; I332-L336 HydrophobicContact CG1-CG 4.25Å; I332-L336 VanDerWaalsContact O-CG 3.27Å; I332-L336 WeakPolarHBondContact O-CG 2.96Å; I332-L336 PolarHBondContact O-N 3.03Å; V334-L336 VanDerWaalsContact C-N 3.27Å; V334-L336 PolarHBondContact O-N 3.36Å; L336-K338 VanDerWaalsContact C-N 3.34Å; L336-K338 PolarHBondContact O-N 2.79Å; L336-L339 WeakPolarHBondContact O-CB 3.5Å; L336-L339 PolarHBondContact O-N 2.79Å; L336-D340 PolarHBondContact O-N 3.25Å; L336-D340 VanDerWaalsContact O-N 3.07Å; L336-F369 HydrophobicContact CD2-CD2 4.25Å; L336-K372 HydrophobicContact CD2-CD 3.27Å |
| 337 | E | 95.8 | Very high | 93.6 | Very high | 16 Ų | 16 | 38.1 Ų | 38.1 | 8% | 0.075 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67 | -36.7 | 179.2 | -71.1 | -66.4 | 158.8 | 0 | 0 | 112.3 | Y300 L303 R304 N307 Y333 V334 L339 D340 I341 | Y300-E337 HydrophobicContact CD2-CG 3.96Å; Y300-E337 HydrophobicContact CE2-CG 3.67Å; L303-E337 HydrophobicContact CB-CB 3.92Å; L303-E337 HydrophobicContact CD1-CB 4.12Å; R304-E337 WeakPolarHBondContact CD-OE1 3.47Å; R304-E337 WeakPolarHBondContact CD-OE2 3.23Å; R304-E337 IonicContact CZ-OE1 2.94Å; R304-E337 IonicContact NE-OE1 2.63Å; R304-E337 IonicContact NH1-OE1 2.75Å; R304-E337 PolarHBondContact NH1-OE1 2.91Å; R304-E337 IonicContact NH1-OE2 2.81Å; N307-E337 PolarHBondContact ND2-OE2 2.88Å; Y333-E337 PolarHBondContact O-N 3.26Å; V334-E337 PolarHBondContact O-N 2.86Å; E337-L339 VanDerWaalsContact C-N 3.35Å; E337-D340 PolarHBondContact O-N 3.05Å; E337-I341 WeakPolarHBondContact O-CG1 3.44Å; E337-I341 PolarHBondContact O-N 3.43Å |
| 338 | K | 97.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.9 | -46.6 | 171.9 | -84.1 | -176.6 | 174 | -172.9 | 0 | 111.7 | L303 F324 F325 V326 D330 V334 L336 D340 I341 M342 | L303-K338 HydrophobicContact CD1-CG 3.96Å; L303-K338 HydrophobicContact CD2-CG 4Å; F324-K338 WeakPolarHBondContact O-CB 3.13Å; F324-K338 WeakPolarHBondContact O-CD 3.06Å; F325-K338 PolarHBondContact O-NZ 2.91Å; F325-K338 VanDerWaalsContact O-NZ 3.17Å; V326-K338 HydrophobicContact CG2-CB 4.02Å; V326-K338 HydrophobicContact CG2-CD 4.21Å; D330-K338 IonicContact OD1-NZ 2.85Å; D330-K338 IonicContact OD2-NZ 2.68Å; D330-K338 PolarHBondContact OD2-NZ 3.19Å; V334-K338 HydrophobicContact CG1-CD 4.15Å; V334-K338 HydrophobicContact CG1-CG 4.44Å; V334-K338 WeakPolarHBondContact O-CB 3.11Å; V334-K338 WeakPolarHBondContact O-CG 3.22Å; V334-K338 PolarHBondContact O-N 2.83Å; L336-K338 VanDerWaalsContact C-N 3.34Å; L336-K338 PolarHBondContact O-N 2.79Å; K338-D340 VanDerWaalsContact C-N 3.34Å; K338-D340 PolarHBondContact O-N 3.48Å; K338-I341 PolarHBondContact O-N 2.83Å; K338-M342 VanDerWaalsContact O-CG 3.31Å; K338-M342 WeakPolarHBondContact O-CG 3.12Å; K338-M342 PolarHBondContact O-N 3.07Å |
| 339 | L | 95.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 178.6 | -174.5 | 64.9 | 0 | 0 | 0 | 111.6 | K335 L336 E337 I341 M342 I343 L358 K372 A376 | K335-L339 WeakPolarHBondContact O-CB 3.44Å; K335-L339 PolarHBondContact O-N 3.45Å; L336-L339 WeakPolarHBondContact O-CB 3.5Å; L336-L339 PolarHBondContact O-N 2.79Å; E337-L339 VanDerWaalsContact C-N 3.35Å; L339-I341 PolarHBondContact O-N 3.41Å; L339-M342 WeakPolarHBondContact O-CB 3.29Å; L339-M342 PolarHBondContact O-N 3.41Å; L339-I343 HydrophobicContact CG-CD1 4.37Å; L339-I343 VanDerWaalsContact O-CG1 3.32Å; L339-I343 WeakPolarHBondContact O-CG1 3.44Å; L339-I343 PolarHBondContact O-N 3.42Å; L339-L358 HydrophobicContact CD1-CD2 3.35Å; L339-K372 HydrophobicContact CD2-CB 3.82Å; L339-A376 HydrophobicContact CD1-CB 3.67Å; L339-A376 HydrophobicContact CD2-CB 4.27Å; L339-A376 HydrophobicContact CG-CB 4.07Å |
| 340 | D | 93.2 | Very high | 94.2 | Very high | 50 Ų | 50 | 30.4 Ų | 30.4 | 27% | 0.267 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 177.2 | -84.1 | -31.8 | 0 | 0 | 0 | 112.5 | L336 E337 K338 I343 R344 R379 | L336-D340 PolarHBondContact O-N 3.25Å; L336-D340 VanDerWaalsContact O-N 3.07Å; E337-D340 PolarHBondContact O-N 3.05Å; K338-D340 VanDerWaalsContact C-N 3.34Å; K338-D340 PolarHBondContact O-N 3.48Å; D340-I343 PolarHBondContact O-N 3.29Å; D340-R344 WeakPolarHBondContact O-CG 3.09Å; D340-R344 PolarHBondContact O-N 2.95Å; D340-R344 VanDerWaalsContact O-N 3.14Å; D340-R379 IonicContact OD1-NH1 3.99Å; D340-R379 PolarHBondContact OD1-NH1 3.18Å |
| 341 | I | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.1 | -40 | 176.1 | -67.5 | 162.2 | 0 | 0 | 0 | 111.1 | L303 I306 N307 F324 E337 K338 L339 I343 R344 L345 | L303-I341 HydrophobicContact CB-CD1 4.1Å; L303-I341 HydrophobicContact CD2-CD1 3.57Å; L303-I341 HydrophobicContact CG-CD1 4.45Å; I306-I341 HydrophobicContact CB-CD1 4.31Å; I306-I341 HydrophobicContact CG2-CD1 3.93Å; I306-I341 HydrophobicContact CG2-CG2 4.47Å; N307-I341 HydrophobicContact CB-CD1 4.38Å; N307-I341 HydrophobicContact CB-CG1 4.15Å; F324-I341 HydrophobicContact CD1-CB 4.13Å; F324-I341 HydrophobicContact CD1-CD1 4.27Å; F324-I341 HydrophobicContact CD1-CG2 3.61Å; F324-I341 HydrophobicContact CD2-CG2 4.11Å; F324-I341 HydrophobicContact CE1-CB 4.45Å; F324-I341 HydrophobicContact CE1-CD1 4.15Å; F324-I341 HydrophobicContact CE1-CG2 3.64Å; F324-I341 HydrophobicContact CE2-CG2 4.14Å; F324-I341 HydrophobicContact CG-CG2 3.86Å; F324-I341 HydrophobicContact CZ-CG2 3.93Å; E337-I341 WeakPolarHBondContact O-CG1 3.44Å; E337-I341 PolarHBondContact O-N 3.43Å; K338-I341 PolarHBondContact O-N 2.83Å; L339-I341 PolarHBondContact O-N 3.41Å; I341-I343 VanDerWaalsContact C-N 3.34Å; I341-I343 PolarHBondContact O-N 2.83Å; I341-R344 PolarHBondContact O-N 2.79Å; I341-R344 VanDerWaalsContact O-N 3.17Å; I341-L345 HydrophobicContact CG2-CD1 3.76Å; I341-L345 HydrophobicContact CG2-CG 4.24Å; I341-L345 PolarHBondContact O-N 3.4Å |
| 342 | M | 94.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.2 | -45.1 | 176.3 | -76.1 | 175.8 | 62.4 | 0 | 0 | 111.7 | I321 F324 F325 K338 L339 R344 L345 A346 V354 E357 Y361 | I321-M342 HydrophobicContact CD1-CB 4.39Å; I321-M342 HydrophobicContact CD1-CG 4.25Å; F324-M342 HydrophobicContact CB-CG 3.64Å; F324-M342 HydrophobicContact CB-SD 4.48Å; F325-M342 HydrophobicContact CD1-CE 3.66Å; F325-M342 HydrophobicContact CD1-SD 3.96Å; F325-M342 HydrophobicContact CE1-CE 3.8Å; K338-M342 VanDerWaalsContact O-CG 3.31Å; K338-M342 WeakPolarHBondContact O-CG 3.12Å; K338-M342 PolarHBondContact O-N 3.07Å; L339-M342 WeakPolarHBondContact O-CB 3.29Å; L339-M342 PolarHBondContact O-N 3.41Å; M342-R344 VanDerWaalsContact C-N 3.32Å; M342-R344 PolarHBondContact O-N 2.89Å; M342-L345 CarbonylContact O-C 3.49Å; M342-L345 PolarHBondContact O-N 3.17Å; M342-A346 WeakPolarHBondContact O-CB 3.47Å; M342-A346 PolarHBondContact O-N 3.48Å; M342-V354 HydrophobicContact CE-CG1 4.18Å; M342-E357 HydrophobicContact CE-CB 4.39Å; M342-Y361 HydrophobicContact CE-CE2 4.21Å; M342-Y361 HydrophobicContact SD-CE2 4.28Å |
| 343 | I | 91.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 4% | 0.036 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 176.9 | -63.4 | 161.8 | 0 | 0 | 0 | 110.2 | L339 D340 I341 L345 A346 A376 R379 K383 | L339-I343 HydrophobicContact CG-CD1 4.37Å; L339-I343 VanDerWaalsContact O-CG1 3.32Å; L339-I343 WeakPolarHBondContact O-CG1 3.44Å; L339-I343 PolarHBondContact O-N 3.42Å; D340-I343 PolarHBondContact O-N 3.29Å; I341-I343 VanDerWaalsContact C-N 3.34Å; I341-I343 PolarHBondContact O-N 2.83Å; I343-L345 VanDerWaalsContact C-N 3.35Å; I343-L345 PolarHBondContact O-N 2.91Å; I343-A346 WeakPolarHBondContact O-CB 3.31Å; I343-A346 PolarHBondContact O-N 3.16Å; I343-A376 HydrophobicContact CD1-CB 3.55Å; I343-A376 HydrophobicContact CG1-CB 3.88Å; I343-R379 HydrophobicContact CD1-CB 4.48Å; I343-R379 HydrophobicContact CG2-CB 3.89Å; I343-K383 WeakPolarHBondContact O-CD 3.17Å; I343-K383 PolarHBondContact O-NZ 3.2Å |
| 344 | R | 90.9 | Very high | 94.3 | Very high | 43 Ų | 43 | 28.6 Ų | 28.6 | 16% | 0.162 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67 | -31.4 | 178.5 | -68.5 | 177.1 | -168 | -75.3 | -0.1 | 113.6 | N307 V310 D340 I341 M342 K383 D553 L554 | N307-R344 PolarHBondContact OD1-NE 3.45Å; V310-R344 HydrophobicContact CG1-CB 4.08Å; D340-R344 WeakPolarHBondContact O-CG 3.09Å; D340-R344 PolarHBondContact O-N 2.95Å; D340-R344 VanDerWaalsContact O-N 3.14Å; I341-R344 PolarHBondContact O-N 2.79Å; I341-R344 VanDerWaalsContact O-N 3.17Å; M342-R344 VanDerWaalsContact C-N 3.32Å; M342-R344 PolarHBondContact O-N 2.89Å; R344-K383 PolarHBondContact O-NZ 3.25Å; R344-D553 PolarHBondContact NH1-O 3.07Å; R344-D553 PolarHBondContact NH2-O 3.28Å; R344-L554 VanDerWaalsContact NH1-CD2 3.25Å |
| 345 | L | 93.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -90 | -8.8 | 175.6 | -68 | 176.5 | 0 | 0 | 0 | 113.9 | V310 L317 I321 F324 I341 M342 I343 S347 N350 | V310-L345 HydrophobicContact CG1-CD2 3.53Å; V310-L345 HydrophobicContact CG1-CG 3.9Å; V310-L345 HydrophobicContact CG2-CD2 4.18Å; L317-L345 HydrophobicContact CB-CD1 4.03Å; L317-L345 HydrophobicContact CB-CD2 4.31Å; I321-L345 HydrophobicContact CD1-CB 3.78Å; F324-L345 HydrophobicContact CD2-CD1 3.82Å; F324-L345 HydrophobicContact CE2-CD1 3.55Å; F324-L345 HydrophobicContact CZ-CD1 4.32Å; I341-L345 HydrophobicContact CG2-CD1 3.76Å; I341-L345 HydrophobicContact CG2-CG 4.24Å; I341-L345 PolarHBondContact O-N 3.4Å; M342-L345 CarbonylContact O-C 3.49Å; M342-L345 PolarHBondContact O-N 3.17Å; I343-L345 VanDerWaalsContact C-N 3.35Å; I343-L345 PolarHBondContact O-N 2.91Å; L345-S347 PolarHBondContact O-N 3.41Å; L345-N350 PolarHBondContact O-ND2 3.33Å |
| 346 | A | 92.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | trans | -60 | 130.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | M342 I343 N350 K383 | M342-A346 WeakPolarHBondContact O-CB 3.47Å; M342-A346 PolarHBondContact O-N 3.48Å; I343-A346 WeakPolarHBondContact O-CB 3.31Å; I343-A346 PolarHBondContact O-N 3.16Å; A346-N350 WeakPolarHBondContact CA-OD1 3.48Å; A346-K383 PolarHBondContact O-NZ 3.03Å | ||
| 347 | S | 92.4 | Very high | 94.3 | Very high | 46 Ų | 46 | 31.4 Ų | 31.4 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | trans | -149 | 168.8 | -177.6 | 69 | 0 | 0 | 0 | 0 | 109.8 | L345 A349 N350 I351 | L345-S347 PolarHBondContact O-N 3.41Å; S347-A349 PolarHBondContact O-N 2.79Å; S347-N350 PolarHBondContact N-OD1 3.41Å; S347-N350 PolarHBondContact O-N 3.42Å; S347-N350 VanDerWaalsContact O-N 3.12Å; S347-N350 PolarHBondContact O-OD1 3.41Å; S347-N350 PolarHBondContact OG-ND2 2.94Å; S347-N350 PolarHBondContact OG-OD1 3.32Å; S347-I351 WeakPolarHBondContact O-CB 3.29Å; S347-I351 PolarHBondContact O-N 3.2Å | ||
| 348 | Q | 92 | Very high | 94.4 | Very high | 88 Ų | 88 | 30.7 Ų | 30.7 | 41% | 0.411 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.3 | 179.5 | -172.3 | 62.7 | -0.8 | 0 | 0 | 113.6 | V384 | Q348-V384 HydrophobicContact CB-CG1 4.34Š|
| 349 | A | 92.3 | Very high | 94.3 | Very high | 101 Ų | 101 | 34 Ų | 34 | 84% | 0.835 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -30.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S347 | S347-A349 PolarHBondContact O-N 2.79Š|
| 350 | N | 94.4 | Very high | 94.3 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 6% | 0.059 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -7 | -172.6 | 64 | 20.9 | 0 | 0 | 0 | 113.9 | I321 L345 A346 S347 A352 Q353 V354 | I321-N350 HydrophobicContact CG2-CB 4.19Å; L345-N350 PolarHBondContact O-ND2 3.33Å; A346-N350 WeakPolarHBondContact CA-OD1 3.48Å; S347-N350 PolarHBondContact N-OD1 3.41Å; S347-N350 PolarHBondContact O-N 3.42Å; S347-N350 VanDerWaalsContact O-N 3.12Å; S347-N350 PolarHBondContact O-OD1 3.41Å; S347-N350 PolarHBondContact OG-ND2 2.94Å; S347-N350 PolarHBondContact OG-OD1 3.32Å; N350-A352 PolarHBondContact O-N 3.18Å; N350-A352 VanDerWaalsContact O-N 3.12Å; N350-Q353 WeakPolarHBondContact O-CB 3.35Å; N350-Q353 PolarHBondContact O-N 3.34Å; N350-V354 PolarHBondContact O-N 3.41Å; N350-V354 VanDerWaalsContact O-N 3.14Å |
| 351 | I | 94.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.4 | -34.1 | -172.7 | -170.7 | 55.7 | 0 | 0 | 0 | 113.9 | S347 Q353 V354 L355 C380 | S347-I351 WeakPolarHBondContact O-CB 3.29Å; S347-I351 PolarHBondContact O-N 3.2Å; I351-Q353 VanDerWaalsContact C-N 3.29Å; I351-Q353 PolarHBondContact O-N 3.22Å; I351-V354 HydrophobicContact CD1-CB 4.43Å; I351-V354 PolarHBondContact O-N 3.35Å; I351-L355 HydrophobicContact CD1-CD1 4.35Å; I351-L355 HydrophobicContact CD1-CD2 4.32Å; I351-L355 HydrophobicContact CD1-CG 3.94Å; I351-L355 HydrophobicContact CG1-CD1 4.04Å; I351-L355 HydrophobicContact CG1-CG 4.1Å; I351-L355 WeakPolarHBondContact O-CB 3.27Å; I351-L355 WeakPolarHBondContact O-CG 3.38Å; I351-L355 PolarHBondContact O-N 3.42Å; I351-C380 HydrophobicContact CD1-CB 3.72Å |
| 352 | A | 94.7 | Very high | 94.4 | Very high | 65 Ų | 65 | 38 Ų | 38 | 54% | 0.537 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62 | -38.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N350 A356 | N350-A352 PolarHBondContact O-N 3.18Å; N350-A352 VanDerWaalsContact O-N 3.12Å; A352-A356 WeakPolarHBondContact O-CB 3.42Å; A352-A356 PolarHBondContact O-N 3.04Å |
| 353 | Q | 95.2 | Very high | 94.2 | Very high | 85 Ų | 85 | 42.9 Ų | 42.9 | 40% | 0.397 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -72.5 | -43.7 | 177 | -64.3 | 176.2 | -12.9 | 0 | 0 | 110.6 | F325 N350 I351 L355 A356 E357 | F325-Q353 HydrophobicContact CZ-CB 4.31Å; N350-Q353 WeakPolarHBondContact O-CB 3.35Å; N350-Q353 PolarHBondContact O-N 3.34Å; I351-Q353 VanDerWaalsContact C-N 3.29Å; I351-Q353 PolarHBondContact O-N 3.22Å; Q353-L355 PolarHBondContact O-N 2.84Å; Q353-A356 PolarHBondContact O-N 2.91Å; Q353-E357 WeakPolarHBondContact O-CG 3.48Å; Q353-E357 PolarHBondContact O-N 3.04Å; Q353-E357 VanDerWaalsContact O-N 3.08Å |
| 354 | V | 96.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 178 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | I321 M342 N350 I351 A356 E357 L358 | I321-V354 HydrophobicContact CD1-CG2 4.18Å; I321-V354 HydrophobicContact CG1-CG2 3.87Å; M342-V354 HydrophobicContact CE-CG1 4.18Å; N350-V354 PolarHBondContact O-N 3.41Å; N350-V354 VanDerWaalsContact O-N 3.14Å; I351-V354 HydrophobicContact CD1-CB 4.43Å; I351-V354 PolarHBondContact O-N 3.35Å; V354-A356 PolarHBondContact O-N 2.73Å; V354-E357 PolarHBondContact O-N 2.94Å; V354-L358 HydrophobicContact CG1-CD1 3.83Å; V354-L358 HydrophobicContact CG1-CG 4.19Å; V354-L358 WeakPolarHBondContact O-CB 3.27Å; V354-L358 VanDerWaalsContact O-CG 3.26Å; V354-L358 WeakPolarHBondContact O-CG 3.4Å; V354-L358 PolarHBondContact O-N 2.95Å |
| 355 | L | 97.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 179.2 | -70.1 | 178.7 | 0 | 0 | 0 | 113 | I351 Q353 E357 L358 K359 I377 R390 | I351-L355 HydrophobicContact CD1-CD1 4.35Å; I351-L355 HydrophobicContact CD1-CD2 4.32Å; I351-L355 HydrophobicContact CD1-CG 3.94Å; I351-L355 HydrophobicContact CG1-CD1 4.04Å; I351-L355 HydrophobicContact CG1-CG 4.1Å; I351-L355 WeakPolarHBondContact O-CB 3.27Å; I351-L355 WeakPolarHBondContact O-CG 3.38Å; I351-L355 PolarHBondContact O-N 3.42Å; Q353-L355 PolarHBondContact O-N 2.84Å; L355-E357 VanDerWaalsContact C-N 3.34Å; L355-L358 PolarHBondContact O-N 3.43Å; L355-K359 WeakPolarHBondContact O-CB 3.27Å; L355-K359 PolarHBondContact O-N 3.4Å; L355-I377 HydrophobicContact CD2-CB 4.47Å; L355-I377 HydrophobicContact CD2-CG1 4.33Å; L355-I377 HydrophobicContact CD2-CG2 3.91Å; L355-R390 HydrophobicContact CD1-CB 3.73Å |
| 356 | A | 96.2 | Very high | 94.1 | Very high | 55 Ų | 55 | 52 Ų | 52 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | A352 Q353 V354 K359 E360 | A352-A356 WeakPolarHBondContact O-CB 3.42Å; A352-A356 PolarHBondContact O-N 3.04Å; Q353-A356 PolarHBondContact O-N 2.91Å; V354-A356 PolarHBondContact O-N 2.73Å; A356-K359 WeakPolarHBondContact O-CB 3.43Å; A356-K359 PolarHBondContact O-N 2.91Å; A356-E360 PolarHBondContact O-N 3.26Å |
| 357 | E | 96.4 | Very high | 94.1 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 177.2 | -68.1 | -69.8 | 152.2 | 0 | 0 | 112.5 | F325 M342 Q353 V354 L355 K359 E360 Y361 | F325-E357 HydrophobicContact CD1-CG 3.98Å; F325-E357 VanDerWaalsContact CD2-CD 3.47Å; F325-E357 HydrophobicContact CD2-CG 3.68Å; F325-E357 HydrophobicContact CE1-CG 3.85Å; F325-E357 HydrophobicContact CE2-CG 3.52Å; F325-E357 HydrophobicContact CG-CG 3.92Å; F325-E357 HydrophobicContact CZ-CG 3.63Å; M342-E357 HydrophobicContact CE-CB 4.39Å; Q353-E357 WeakPolarHBondContact O-CG 3.48Å; Q353-E357 PolarHBondContact O-N 3.04Å; Q353-E357 VanDerWaalsContact O-N 3.08Å; V354-E357 PolarHBondContact O-N 2.94Å; L355-E357 VanDerWaalsContact C-N 3.34Å; E357-K359 PolarHBondContact O-N 2.9Å; E357-E360 WeakPolarHBondContact O-CB 3.37Å; E357-E360 PolarHBondContact O-N 2.97Å; E357-E360 VanDerWaalsContact O-N 3.08Å; E357-Y361 HydrophobicContact CB-CE1 4.34Å; E357-Y361 HydrophobicContact CB-CE2 4.3Å; E357-Y361 WeakPolarHBondContact O-CD1 3.49Å; E357-Y361 VanDerWaalsContact O-CG 3.25Å; E357-Y361 PolarHBondContact O-N 2.98Å; E357-Y361 PolarHBondContact OE2-OH 2.74Å; E357-Y361 VanDerWaalsContact OE2-OH 3.07Å |
| 358 | L | 97.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.9 | -33.1 | 177.4 | -69.6 | 177.6 | 0 | 0 | 0 | 112.3 | L339 V354 L355 Y361 A362 A376 I377 | L339-L358 HydrophobicContact CD1-CD2 3.35Å; V354-L358 HydrophobicContact CG1-CD1 3.83Å; V354-L358 HydrophobicContact CG1-CG 4.19Å; V354-L358 WeakPolarHBondContact O-CB 3.27Å; V354-L358 VanDerWaalsContact O-CG 3.26Å; V354-L358 WeakPolarHBondContact O-CG 3.4Å; V354-L358 PolarHBondContact O-N 2.95Å; L355-L358 PolarHBondContact O-N 3.43Å; L358-Y361 HydrophobicContact CD2-CD2 4.01Å; L358-Y361 HydrophobicContact CD2-CE2 4.43Å; L358-Y361 PolarHBondContact O-N 3.44Å; L358-A362 PolarHBondContact O-N 3.02Å; L358-A376 HydrophobicContact CD1-CB 3.99Å; L358-A376 HydrophobicContact CD2-CB 3.88Å; L358-I377 HydrophobicContact CB-CD1 4.16Å; L358-I377 HydrophobicContact CB-CG1 3.73Å; L358-I377 HydrophobicContact CD1-CG1 3.76Å; L358-I377 HydrophobicContact CG-CG1 4.37Å |
| 359 | K | 95.5 | Very high | 94.3 | Very high | 73 Ų | 73 | 52.1 Ų | 52.1 | 32% | 0.317 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 173.8 | -173.3 | 177.1 | -179.1 | 172.6 | 0 | 111.4 | L355 A356 E357 Y361 A362 T394 D397 L398 | L355-K359 WeakPolarHBondContact O-CB 3.27Å; L355-K359 PolarHBondContact O-N 3.4Å; A356-K359 WeakPolarHBondContact O-CB 3.43Å; A356-K359 PolarHBondContact O-N 2.91Å; E357-K359 PolarHBondContact O-N 2.9Å; K359-Y361 VanDerWaalsContact C-N 3.33Å; K359-A362 WeakPolarHBondContact O-CB 3.44Å; K359-A362 PolarHBondContact O-N 3.22Å; K359-T394 HydrophobicContact CB-CG2 4.08Å; K359-T394 HydrophobicContact CD-CG2 4.33Å; K359-T394 HydrophobicContact CG-CG2 4.35Å; K359-D397 IonicContact NZ-OD2 2.83Å; K359-D397 PolarHBondContact NZ-OD2 3.06Å; K359-L398 HydrophobicContact CG-CD2 4.13Å |
| 360 | E | 95.1 | Very high | 94.5 | Very high | 119 Ų | 119 | 47.3 Ų | 47.3 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.8 | -39.5 | 173.9 | -63.4 | -59.3 | 146 | 0 | 0 | 111.3 | A356 E357 A362 T363 | A356-E360 PolarHBondContact O-N 3.26Å; E357-E360 WeakPolarHBondContact O-CB 3.37Å; E357-E360 PolarHBondContact O-N 2.97Å; E357-E360 VanDerWaalsContact O-N 3.08Å; E360-A362 PolarHBondContact O-N 2.91Å; E360-T363 WeakPolarHBondContact O-CB 3.35Å; E360-T363 PolarHBondContact O-N 3.4Å; E360-T363 PolarHBondContact O-OG1 3.29Å |
| 361 | Y | 95.7 | Very high | 94.5 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.9 | -21.9 | 178.2 | -59.3 | -10.1 | 0 | 0 | 0 | 113.2 | F325 V326 M342 E357 L358 K359 T363 E364 F369 | F325-Y361 WeakPolarHBondContact CA-OH 3.49Å; F325-Y361 WeakPolarHBondContact CB-OH 3.41Å; V326-Y361 HydrophobicContact CB-CE1 4.12Å; V326-Y361 HydrophobicContact CB-CE2 4.05Å; V326-Y361 HydrophobicContact CG2-CE2 4Å; V326-Y361 PolarHBondContact N-OH 3.29Å; M342-Y361 HydrophobicContact CE-CE2 4.21Å; M342-Y361 HydrophobicContact SD-CE2 4.28Å; E357-Y361 HydrophobicContact CB-CE1 4.34Å; E357-Y361 HydrophobicContact CB-CE2 4.3Å; E357-Y361 WeakPolarHBondContact O-CD1 3.49Å; E357-Y361 VanDerWaalsContact O-CG 3.25Å; E357-Y361 PolarHBondContact O-N 2.98Å; E357-Y361 PolarHBondContact OE2-OH 2.74Å; E357-Y361 VanDerWaalsContact OE2-OH 3.07Å; L358-Y361 HydrophobicContact CD2-CD2 4.01Å; L358-Y361 HydrophobicContact CD2-CE2 4.43Å; L358-Y361 PolarHBondContact O-N 3.44Å; K359-Y361 VanDerWaalsContact C-N 3.33Å; Y361-T363 PolarHBondContact O-N 3.17Å; Y361-E364 WeakPolarHBondContact O-CB 3.47Å; Y361-E364 PolarHBondContact O-N 3.48Å; Y361-F369 HydrophobicContact CD2-CZ 4.1Å; Y361-F369 HydrophobicContact CG-CE1 4.14Å; Y361-F369 HydrophobicContact CG-CZ 4.19Å |
| 362 | A | 93.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 5% | 0.05 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -10.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L358 K359 E360 V370 V374 L398 | L358-A362 PolarHBondContact O-N 3.02Å; K359-A362 WeakPolarHBondContact O-CB 3.44Å; K359-A362 PolarHBondContact O-N 3.22Å; E360-A362 PolarHBondContact O-N 2.91Å; A362-V370 HydrophobicContact CB-CG1 4.43Å; A362-V374 HydrophobicContact CB-CG2 4.32Å; A362-L398 HydrophobicContact CB-CD1 3.97Å; A362-L398 HydrophobicContact CB-CD2 3.55Å; A362-L398 HydrophobicContact CB-CG 4.42Å |
| 363 | T | 91.7 | Very high | 94.7 | Very high | 105 Ų | 105 | 50.3 Ų | 50.3 | 64% | 0.644 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -0.3 | 177.2 | 73.3 | 0 | 0 | 0 | 0 | 113.6 | E360 Y361 | E360-T363 WeakPolarHBondContact O-CB 3.35Å; E360-T363 PolarHBondContact O-N 3.4Å; E360-T363 PolarHBondContact O-OG1 3.29Å; Y361-T363 PolarHBondContact O-N 3.17Å |
| 364 | E | 91.9 | Very high | 94.8 | Very high | 51 Ų | 51 | 46.2 Ų | 46.2 | 24% | 0.238 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -65.9 | 162 | 176.7 | -86.6 | -85.5 | -153.3 | 0 | 0 | 112.8 | K335 Y361 F369 V370 | K335-E364 IonicContact NZ-OE1 3.85Å; K335-E364 PolarHBondContact NZ-OE1 3.29Å; Y361-E364 WeakPolarHBondContact O-CB 3.47Å; Y361-E364 PolarHBondContact O-N 3.48Å; E364-F369 HydrophobicContact CB-CD1 4.19Å; E364-F369 HydrophobicContact CG-CD1 4.26Å; E364-F369 HydrophobicContact CG-CE1 4.25Å; E364-V370 HydrophobicContact CB-CG2 3.94Å; E364-V370 VanDerWaalsContact O-CG2 3.28Å; E364-V370 WeakPolarHBondContact O-CG2 3.35Å |
| 365 | V | 89 | Confident | 94.7 | Very high | 131 Ų | 131 | 51.9 Ų | 51.9 | 79% | 0.794 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -80.8 | -31.6 | -177.1 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | V367 | V365-V367 PolarHBondContact O-N 3.29Š|
| 366 | D | 92.4 | Very high | 94.6 | Very high | 67 Ų | 67 | 51.5 Ų | 51.5 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | trans | -75.1 | 107 | -178.1 | -174.1 | -51.6 | 0 | 0 | 0 | 110.7 | D368 F369 V370 | D366-D368 VanDerWaalsContact C-N 3.31Å; D366-D368 PolarHBondContact O-N 3.11Å; D366-D368 PolarHBondContact OD1-N 2.75Å; D366-F369 HydrophobicContact CB-CB 3.94Å; D366-F369 PolarHBondContact O-N 2.99Å; D366-F369 PolarHBondContact OD1-N 3.2Å; D366-V370 VanDerWaalsContact O-CG2 3.29Å; D366-V370 WeakPolarHBondContact O-CG2 3.48Å; D366-V370 PolarHBondContact O-N 2.97Å | ||
| 367 | V | 92 | Very high | 94.6 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 30% | 0.297 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.2 | -39.6 | -175.4 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | V365 V370 R371 Y405 | V365-V367 PolarHBondContact O-N 3.29Å; V367-V370 PolarHBondContact O-N 3.33Å; V367-R371 WeakPolarHBondContact O-CG 3.49Å; V367-R371 PolarHBondContact O-N 2.9Å; V367-Y405 HydrophobicContact CG1-CD1 4.41Å; V367-Y405 HydrophobicContact CG1-CD2 3.84Å; V367-Y405 HydrophobicContact CG1-CE2 4.34Å; V367-Y405 HydrophobicContact CG1-CG 3.88Å; V367-Y405 HydrophobicContact CG2-CE1 4.44Å |
| 368 | D | 93.5 | Very high | 94.5 | Very high | 92 Ų | 92 | 46.2 Ų | 46.2 | 49% | 0.492 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -72 | -33 | -177.8 | -72.4 | -33.2 | 0 | 0 | 0 | 112.3 | D366 R371 K372 | D366-D368 VanDerWaalsContact C-N 3.31Å; D366-D368 PolarHBondContact O-N 3.11Å; D366-D368 PolarHBondContact OD1-N 2.75Å; D368-R371 IonicContact OD1-NH1 2.7Å; D368-R371 PolarHBondContact OD1-NH1 2.84Å; D368-K372 WeakPolarHBondContact O-CG 3.27Å; D368-K372 PolarHBondContact O-N 2.73Å; D368-K372 PolarHBondContact O-NZ 3.31Å; D368-K372 VanDerWaalsContact O-NZ 3.12Å |
| 369 | F | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69 | -47.4 | 170.7 | -178.2 | -113 | 0 | 0 | 0 | 111.4 | V326 I332 K335 L336 Y361 E364 D366 R371 K372 A373 | V326-F369 HydrophobicContact CB-CZ 4.38Å; V326-F369 HydrophobicContact CG1-CZ 4.09Å; V326-F369 HydrophobicContact CG2-CZ 4.1Å; I332-F369 HydrophobicContact CD1-CB 3.75Å; I332-F369 HydrophobicContact CD1-CD2 4.03Å; I332-F369 HydrophobicContact CD1-CG 4.18Å; K335-F369 HydrophobicContact CB-CD2 3.89Å; K335-F369 HydrophobicContact CB-CE2 3.51Å; K335-F369 HydrophobicContact CB-CZ 4.09Å; K335-F369 HydrophobicContact CD-CD1 4.31Å; K335-F369 HydrophobicContact CD-CD2 4.24Å; K335-F369 HydrophobicContact CD-CE1 4.18Å; K335-F369 HydrophobicContact CD-CE2 4.16Å; K335-F369 HydrophobicContact CD-CG 4.34Å; K335-F369 HydrophobicContact CD-CZ 4.12Å; K335-F369 HydrophobicContact CG-CE2 4.42Å; L336-F369 HydrophobicContact CD2-CD2 4.25Å; Y361-F369 HydrophobicContact CD2-CZ 4.1Å; Y361-F369 HydrophobicContact CG-CE1 4.14Å; Y361-F369 HydrophobicContact CG-CZ 4.19Å; E364-F369 HydrophobicContact CB-CD1 4.19Å; E364-F369 HydrophobicContact CG-CD1 4.26Å; E364-F369 HydrophobicContact CG-CE1 4.25Å; D366-F369 HydrophobicContact CB-CB 3.94Å; D366-F369 PolarHBondContact O-N 2.99Å; D366-F369 PolarHBondContact OD1-N 3.2Å; F369-R371 VanDerWaalsContact C-N 3.32Å; F369-R371 PolarHBondContact O-N 3.02Å; F369-K372 PolarHBondContact O-N 2.9Å; F369-K372 VanDerWaalsContact O-N 3.09Å; F369-A373 PolarHBondContact O-N 3.16Å |
| 370 | V | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56 | -47.7 | 177.6 | 168.9 | 0 | 0 | 0 | 0 | 110.6 | A362 E364 D366 V367 K372 A373 V374 Y405 V406 | A362-V370 HydrophobicContact CB-CG1 4.43Å; E364-V370 HydrophobicContact CB-CG2 3.94Å; E364-V370 VanDerWaalsContact O-CG2 3.28Å; E364-V370 WeakPolarHBondContact O-CG2 3.35Å; D366-V370 VanDerWaalsContact O-CG2 3.29Å; D366-V370 WeakPolarHBondContact O-CG2 3.48Å; D366-V370 PolarHBondContact O-N 2.97Å; V367-V370 PolarHBondContact O-N 3.33Å; V370-K372 VanDerWaalsContact C-N 3.29Å; V370-K372 PolarHBondContact O-N 3.4Å; V370-A373 WeakPolarHBondContact O-CB 3.41Å; V370-A373 PolarHBondContact O-N 3.21Å; V370-A373 VanDerWaalsContact O-N 3.1Å; V370-V374 HydrophobicContact CG1-CG2 4.41Å; V370-V374 WeakPolarHBondContact O-CG2 3Å; V370-V374 PolarHBondContact O-N 3.27Å; V370-Y405 HydrophobicContact CB-CE2 4.19Å; V370-Y405 HydrophobicContact CG1-CD2 4.18Å; V370-Y405 HydrophobicContact CG1-CE2 3.75Å; V370-V406 HydrophobicContact CG1-CG2 3.79Å |
| 371 | R | 95.4 | Very high | 94.1 | Very high | 53 Ų | 53 | 40 Ų | 40 | 20% | 0.2 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.5 | -43.6 | 176.8 | -75.8 | -174.7 | -176.2 | 117.8 | -2.9 | 112.2 | V367 D368 F369 V374 R375 E409 E441 | V367-R371 WeakPolarHBondContact O-CG 3.49Å; V367-R371 PolarHBondContact O-N 2.9Å; D368-R371 IonicContact OD1-NH1 2.7Å; D368-R371 PolarHBondContact OD1-NH1 2.84Å; F369-R371 VanDerWaalsContact C-N 3.32Å; F369-R371 PolarHBondContact O-N 3.02Å; R371-V374 PolarHBondContact O-N 2.82Å; R371-R375 WeakPolarHBondContact O-CG 3.48Å; R371-R375 PolarHBondContact O-N 2.93Å; R371-E409 HydrophobicContact CB-CG 4.06Å; R371-E409 WeakPolarHBondContact CD-OE2 3.09Å; R371-E409 HydrophobicContact CG-CB 4.27Å; R371-E409 HydrophobicContact CG-CG 4.17Å; R371-E409 WeakPolarHBondContact CG-OE2 3.47Å; R371-E441 IonicContact CZ-OE1 3.75Å; R371-E441 IonicContact NE-OE1 2.66Å; R371-E441 IonicContact NH2-OE1 3.66Å; R371-E441 PolarHBondContact NH2-OE1 2.79Å; R371-E441 IonicContact NH2-OE2 2.9Å |
| 372 | K | 94.9 | Very high | 93.9 | Very high | 87 Ų | 87 | 40.6 Ų | 40.6 | 38% | 0.378 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.3 | -36.4 | 177.5 | -71.1 | 176.1 | -170.2 | 66.4 | 0 | 112.4 | L336 L339 D368 F369 V370 R375 A376 | L336-K372 HydrophobicContact CD2-CD 3.27Å; L339-K372 HydrophobicContact CD2-CB 3.82Å; D368-K372 WeakPolarHBondContact O-CG 3.27Å; D368-K372 PolarHBondContact O-N 2.73Å; D368-K372 PolarHBondContact O-NZ 3.31Å; D368-K372 VanDerWaalsContact O-NZ 3.12Å; F369-K372 PolarHBondContact O-N 2.9Å; F369-K372 VanDerWaalsContact O-N 3.09Å; V370-K372 VanDerWaalsContact C-N 3.29Å; V370-K372 PolarHBondContact O-N 3.4Å; K372-R375 PolarHBondContact O-N 3.32Å; K372-A376 WeakPolarHBondContact O-CB 3.38Å; K372-A376 PolarHBondContact O-N 2.86Å |
| 373 | A | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F369 V370 A376 I377 | F369-A373 PolarHBondContact O-N 3.16Å; V370-A373 WeakPolarHBondContact O-CB 3.41Å; V370-A373 PolarHBondContact O-N 3.21Å; V370-A373 VanDerWaalsContact O-N 3.1Å; A373-A376 VanDerWaalsContact O-CB 3.32Å; A373-A376 WeakPolarHBondContact O-CB 3.05Å; A373-A376 PolarHBondContact O-N 2.77Å; A373-I377 PolarHBondContact O-N 3.34Å |
| 374 | V | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 174.3 | 177.8 | 0 | 0 | 0 | 0 | 111 | A362 V370 R371 A376 I377 G378 L395 L398 V406 E409 A410 V413 | A362-V374 HydrophobicContact CB-CG2 4.32Å; V370-V374 HydrophobicContact CG1-CG2 4.41Å; V370-V374 WeakPolarHBondContact O-CG2 3Å; V370-V374 PolarHBondContact O-N 3.27Å; R371-V374 PolarHBondContact O-N 2.82Å; V374-A376 VanDerWaalsContact C-N 3.28Å; V374-A376 PolarHBondContact O-N 3.49Å; V374-I377 WeakPolarHBondContact O-CB 3.47Å; V374-I377 PolarHBondContact O-N 3.13Å; V374-G378 PolarHBondContact O-N 3.2Å; V374-L395 HydrophobicContact CG1-CD2 3.87Å; V374-L398 HydrophobicContact CG2-CD1 4.19Å; V374-V406 HydrophobicContact CG2-CG1 4.24Å; V374-E409 HydrophobicContact CB-CB 4.37Å; V374-E409 HydrophobicContact CB-CG 3.95Å; V374-E409 HydrophobicContact CG1-CB 4.1Å; V374-E409 HydrophobicContact CG1-CG 3.92Å; V374-A410 HydrophobicContact CG1-CB 4.13Å; V374-V413 HydrophobicContact CG1-CG2 4.29Å |
| 375 | R | 95.1 | Very high | 93.6 | Very high | 119 Ų | 119 | 40.5 Ų | 40.5 | 45% | 0.449 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59 | -37.6 | 172.4 | -74.1 | -174.2 | -178.2 | -177.5 | 5 | 112.9 | R371 K372 I377 G378 R379 E409 V413 | R371-R375 WeakPolarHBondContact O-CG 3.48Å; R371-R375 PolarHBondContact O-N 2.93Å; K372-R375 PolarHBondContact O-N 3.32Å; R375-I377 VanDerWaalsContact C-N 3.29Å; R375-I377 PolarHBondContact O-N 3.11Å; R375-G378 WeakPolarHBondContact O-CA 3.49Å; R375-G378 PolarHBondContact O-N 3.24Å; R375-G378 VanDerWaalsContact O-N 3.08Å; R375-R379 PolarHBondContact O-N 2.94Å; R375-E409 HydrophobicContact CG-CG 4.19Å; R375-E409 VanDerWaalsContact CG-OE1 3.26Å; R375-E409 WeakPolarHBondContact CG-OE1 3.36Å; R375-E409 IonicContact CZ-OE1 3.61Å; R375-E409 IonicContact CZ-OE2 3.63Å; R375-E409 IonicContact NE-OE1 2.67Å; R375-E409 PolarHBondContact NE-OE1 3.4Å; R375-E409 IonicContact NE-OE2 3.62Å; R375-E409 IonicContact NH2-OE1 3.32Å; R375-E409 PolarHBondContact NH2-OE1 3.4Å; R375-E409 IonicContact NH2-OE2 2.71Å; R375-E409 PolarHBondContact NH2-OE2 2.84Å; R375-V413 HydrophobicContact CG-CG2 4.15Å |
| 376 | A | 95.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -37 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L339 I343 L358 K372 A373 V374 G378 R379 C380 | L339-A376 HydrophobicContact CD1-CB 3.67Å; L339-A376 HydrophobicContact CD2-CB 4.27Å; L339-A376 HydrophobicContact CG-CB 4.07Å; I343-A376 HydrophobicContact CD1-CB 3.55Å; I343-A376 HydrophobicContact CG1-CB 3.88Å; L358-A376 HydrophobicContact CD1-CB 3.99Å; L358-A376 HydrophobicContact CD2-CB 3.88Å; K372-A376 WeakPolarHBondContact O-CB 3.38Å; K372-A376 PolarHBondContact O-N 2.86Å; A373-A376 VanDerWaalsContact O-CB 3.32Å; A373-A376 WeakPolarHBondContact O-CB 3.05Å; A373-A376 PolarHBondContact O-N 2.77Å; V374-A376 VanDerWaalsContact C-N 3.28Å; V374-A376 PolarHBondContact O-N 3.49Å; A376-G378 VanDerWaalsContact C-N 3.28Å; A376-G378 PolarHBondContact O-N 2.82Å; A376-R379 PolarHBondContact O-N 3.2Å; A376-C380 PolarHBondContact O-N 3.43Å; A376-C380 PolarHBondContact O-SG 3.44Å; A376-C380 VanDerWaalsContact O-SG 3.38Å |
| 377 | I | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 173.3 | -61.5 | 168.7 | 0 | 0 | 0 | 110.2 | L355 L358 A373 V374 R375 C380 A381 C391 T394 L395 L398 | L355-I377 HydrophobicContact CD2-CB 4.47Å; L355-I377 HydrophobicContact CD2-CG1 4.33Å; L355-I377 HydrophobicContact CD2-CG2 3.91Å; L358-I377 HydrophobicContact CB-CD1 4.16Å; L358-I377 HydrophobicContact CB-CG1 3.73Å; L358-I377 HydrophobicContact CD1-CG1 3.76Å; L358-I377 HydrophobicContact CG-CG1 4.37Å; A373-I377 PolarHBondContact O-N 3.34Å; V374-I377 WeakPolarHBondContact O-CB 3.47Å; V374-I377 PolarHBondContact O-N 3.13Å; R375-I377 VanDerWaalsContact C-N 3.29Å; R375-I377 PolarHBondContact O-N 3.11Å; I377-C380 WeakPolarHBondContact O-CB 3.49Å; I377-C380 PolarHBondContact O-N 2.78Å; I377-A381 PolarHBondContact O-N 3.34Å; I377-C391 HydrophobicContact CG2-CB 3.86Å; I377-T394 HydrophobicContact CD1-CG2 3.98Å; I377-L395 HydrophobicContact CB-CD2 4.21Å; I377-L395 HydrophobicContact CD1-CD2 4.37Å; I377-L395 HydrophobicContact CG2-CD1 4.23Å; I377-L395 HydrophobicContact CG2-CD2 4.01Å; I377-L395 HydrophobicContact CG2-CG 3.83Å; I377-L398 HydrophobicContact CD1-CD1 3.65Å |
| 378 | G | 93.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.8 | -48.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V374 R375 A376 C380 A381 I382 | V374-G378 PolarHBondContact O-N 3.2Å; R375-G378 WeakPolarHBondContact O-CA 3.49Å; R375-G378 PolarHBondContact O-N 3.24Å; R375-G378 VanDerWaalsContact O-N 3.08Å; A376-G378 VanDerWaalsContact C-N 3.28Å; A376-G378 PolarHBondContact O-N 2.82Å; G378-C380 VanDerWaalsContact C-N 3.28Å; G378-C380 PolarHBondContact O-N 2.8Å; G378-A381 VanDerWaalsContact O-CB 3.3Å; G378-A381 WeakPolarHBondContact O-CB 3.45Å; G378-A381 PolarHBondContact O-N 3.15Å; G378-I382 WeakPolarHBondContact O-CG1 3.49Å; G378-I382 PolarHBondContact O-N 3.41Å |
| 379 | R | 93.5 | Very high | 93.7 | Very high | 63 Ų | 63 | 36.4 Ų | 36.4 | 24% | 0.238 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.1 | -38.2 | 178 | -67.7 | 178.6 | 72.1 | -159.2 | 4.1 | 111.6 | D340 I343 R375 A376 I382 K383 D553 | D340-R379 IonicContact OD1-NH1 3.99Å; D340-R379 PolarHBondContact OD1-NH1 3.18Å; I343-R379 HydrophobicContact CD1-CB 4.48Å; I343-R379 HydrophobicContact CG2-CB 3.89Å; R375-R379 PolarHBondContact O-N 2.94Å; A376-R379 PolarHBondContact O-N 3.2Å; R379-I382 PolarHBondContact O-N 3.09Å; R379-K383 VanDerWaalsContact O-CB 3.28Å; R379-K383 WeakPolarHBondContact O-CB 3.47Å; R379-K383 PolarHBondContact O-N 3.07Å; R379-D553 IonicContact CZ-OD2 3.88Å; R379-D553 IonicContact NE-OD2 3.72Å; R379-D553 PolarHBondContact NE-OD2 3.18Å; R379-D553 VanDerWaalsContact NH2-CB 3.32Å; R379-D553 VanDerWaalsContact NH2-CG 3.33Å; R379-D553 IonicContact NH2-OD2 3.3Å; R379-D553 PolarHBondContact NH2-OD2 3Å |
| 380 | C | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -41.1 | 172.1 | -72.1 | 0 | 0 | 0 | 0 | 112.8 | I351 A376 I377 G378 I382 K383 V384 | I351-C380 HydrophobicContact CD1-CB 3.72Å; A376-C380 PolarHBondContact O-N 3.43Å; A376-C380 PolarHBondContact O-SG 3.44Å; A376-C380 VanDerWaalsContact O-SG 3.38Å; I377-C380 WeakPolarHBondContact O-CB 3.49Å; I377-C380 PolarHBondContact O-N 2.78Å; G378-C380 VanDerWaalsContact C-N 3.28Å; G378-C380 PolarHBondContact O-N 2.8Å; C380-I382 VanDerWaalsContact C-N 3.31Å; C380-I382 PolarHBondContact O-N 3.27Å; C380-K383 PolarHBondContact O-N 3.06Å; C380-V384 PolarHBondContact O-N 3.43Å |
| 381 | A | 92.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -39.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I377 G378 A388 C391 I417 Y421 | I377-A381 PolarHBondContact O-N 3.34Å; G378-A381 VanDerWaalsContact O-CB 3.3Å; G378-A381 WeakPolarHBondContact O-CB 3.45Å; G378-A381 PolarHBondContact O-N 3.15Å; A381-A388 HydrophobicContact CB-CB 4.38Å; A381-C391 HydrophobicContact CB-CB 3.54Å; A381-I417 HydrophobicContact CB-CD1 3.83Å; A381-I417 HydrophobicContact CB-CG1 4.04Å; A381-Y421 PolarHBondContact O-OH 3.44Å; A381-Y421 VanDerWaalsContact O-OH 3.11Å |
| 382 | I | 90.1 | Very high | 93.7 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 13% | 0.128 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73 | -40.4 | -179.9 | -64.9 | 167.6 | 0 | 0 | 0 | 111.2 | G378 R379 C380 I548 | G378-I382 WeakPolarHBondContact O-CG1 3.49Å; G378-I382 PolarHBondContact O-N 3.41Å; R379-I382 PolarHBondContact O-N 3.09Å; C380-I382 VanDerWaalsContact C-N 3.31Å; C380-I382 PolarHBondContact O-N 3.27Å; I382-I548 HydrophobicContact CD1-CG2 4.33Å |
| 383 | K | 90.1 | Very high | 93.7 | Very high | 51 Ų | 51 | 39 Ų | 39 | 22% | 0.222 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74.4 | -45.6 | -177.6 | 177.2 | 176.8 | -168.4 | -140.3 | 0 | 113.6 | I343 R344 A346 R379 C380 E550 | I343-K383 WeakPolarHBondContact O-CD 3.17Å; I343-K383 PolarHBondContact O-NZ 3.2Å; R344-K383 PolarHBondContact O-NZ 3.25Å; A346-K383 PolarHBondContact O-NZ 3.03Å; R379-K383 VanDerWaalsContact O-CB 3.28Å; R379-K383 WeakPolarHBondContact O-CB 3.47Å; R379-K383 PolarHBondContact O-N 3.07Å; C380-K383 PolarHBondContact O-N 3.06Å; K383-E550 HydrophobicContact CB-CG 4.47Å; K383-E550 WeakPolarHBondContact CD-OE1 3.31Å; K383-E550 VanDerWaalsContact CE-OE1 3.27Å; K383-E550 WeakPolarHBondContact CE-OE1 3.41Å; K383-E550 VanDerWaalsContact CG-OE1 3.23Å; K383-E550 WeakPolarHBondContact CG-OE1 3.22Å; K383-E550 WeakPolarHBondContact CG-OE2 3.15Å |
| 384 | V | 90.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | trans | -112.2 | 88.2 | -176 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | Q348 C380 Q386 S387 | Q348-V384 HydrophobicContact CB-CG1 4.34Å; C380-V384 PolarHBondContact O-N 3.43Å; V384-Q386 PolarHBondContact O-N 2.89Å; V384-Q386 VanDerWaalsContact O-N 3.13Å; V384-S387 WeakPolarHBondContact CB-OG 3.43Å; V384-S387 WeakPolarHBondContact O-CA 3.31Å; V384-S387 WeakPolarHBondContact O-CB 3.23Å; V384-S387 PolarHBondContact O-N 3.08Å; V384-S387 PolarHBondContact O-OG 3.3Å | ||
| 385 | E | 90.4 | Very high | 93.7 | Very high | 97 Ų | 97 | 39.8 Ų | 39.8 | 45% | 0.453 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -56.5 | -35.8 | -171 | -50.7 | -164.4 | 138.9 | 0 | 0 | 113.6 | S387 A388 Y421 | E385-S387 PolarHBondContact O-N 3.4Å; E385-A388 WeakPolarHBondContact O-CB 3.4Å; E385-A388 PolarHBondContact O-N 3.06Å; E385-Y421 WeakPolarHBondContact CA-OH 3.28Å; E385-Y421 HydrophobicContact CB-CE1 4.38Å; E385-Y421 WeakPolarHBondContact CB-OH 3.37Å; E385-Y421 HydrophobicContact CG-CE1 4.46Å; E385-Y421 WeakPolarHBondContact CG-OH 3.38Å |
| 386 | Q | 91.2 | Very high | 93.8 | Very high | 129 Ų | 129 | 35.6 Ų | 35.6 | 60% | 0.603 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | -69.8 | -10.9 | 178.4 | -56.7 | 82.2 | 25.9 | 0 | 0 | 113.1 | V384 | V384-Q386 PolarHBondContact O-N 2.89Å; V384-Q386 VanDerWaalsContact O-N 3.13Å |
| 387 | S | 90.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -101 | -7 | 178.2 | 80.4 | 0 | 0 | 0 | 0 | 113.9 | V384 E385 E389 R390 C391 | V384-S387 WeakPolarHBondContact CB-OG 3.43Å; V384-S387 WeakPolarHBondContact O-CA 3.31Å; V384-S387 WeakPolarHBondContact O-CB 3.23Å; V384-S387 PolarHBondContact O-N 3.08Å; V384-S387 PolarHBondContact O-OG 3.3Å; E385-S387 PolarHBondContact O-N 3.4Å; S387-E389 VanDerWaalsContact C-N 3.25Å; S387-E389 PolarHBondContact O-N 3.5Å; S387-R390 WeakPolarHBondContact O-CB 3.25Å; S387-R390 PolarHBondContact O-N 3.29Å; S387-C391 PolarHBondContact O-N 3.15Å; S387-C391 PolarHBondContact O-SG 2.82Å |
| 388 | A | 92.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.5 | -40.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A381 E385 R390 C391 V392 Y421 Y425 | A381-A388 HydrophobicContact CB-CB 4.38Å; E385-A388 WeakPolarHBondContact O-CB 3.4Å; E385-A388 PolarHBondContact O-N 3.06Å; A388-R390 PolarHBondContact O-N 3.22Å; A388-C391 PolarHBondContact O-N 2.79Å; A388-V392 WeakPolarHBondContact O-CG2 3.43Å; A388-V392 PolarHBondContact O-N 3.46Å; A388-Y421 HydrophobicContact CB-CD2 4.17Å; A388-Y421 HydrophobicContact CB-CE2 3.65Å; A388-Y425 HydrophobicContact CB-CE2 4.42Å; A388-Y425 VanDerWaalsContact CB-OH 3.27Å; A388-Y425 WeakPolarHBondContact CB-OH 3.44Å |
| 389 | E | 93.8 | Very high | 93.7 | Very high | 125 Ų | 125 | 38.5 Ų | 38.5 | 58% | 0.584 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -58.3 | -42.9 | 174.4 | -81.2 | 167.1 | -150.5 | 0 | 0 | 113.2 | S387 S393 K424 Y425 | S387-E389 VanDerWaalsContact C-N 3.25Å; S387-E389 PolarHBondContact O-N 3.5Å; E389-S393 WeakPolarHBondContact O-CB 3.38Å; E389-S393 PolarHBondContact O-N 3.29Å; E389-K424 IonicContact OE1-NZ 3.61Å; E389-Y425 HydrophobicContact CG-CE1 3.63Å; E389-Y425 PolarHBondContact N-OH 3.41Å |
| 390 | R | 94.9 | Very high | 93.7 | Very high | 125 Ų | 125 | 41.8 Ų | 41.8 | 47% | 0.472 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.5 | -37.2 | 178.1 | -63.2 | -174.5 | -177.7 | 125.6 | 0.1 | 111.7 | L355 S387 A388 S393 T394 | L355-R390 HydrophobicContact CD1-CB 3.73Å; S387-R390 WeakPolarHBondContact O-CB 3.25Å; S387-R390 PolarHBondContact O-N 3.29Å; A388-R390 PolarHBondContact O-N 3.22Å; R390-S393 PolarHBondContact O-N 3.45Å; R390-T394 WeakPolarHBondContact O-CB 3.39Å; R390-T394 PolarHBondContact O-N 3.3Å; R390-T394 PolarHBondContact O-OG1 3.47Å |
| 391 | C | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.7 | -46.6 | 176.4 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | I377 A381 S387 A388 S393 T394 L395 | I377-C391 HydrophobicContact CG2-CB 3.86Å; A381-C391 HydrophobicContact CB-CB 3.54Å; S387-C391 PolarHBondContact O-N 3.15Å; S387-C391 PolarHBondContact O-SG 2.82Å; A388-C391 PolarHBondContact O-N 2.79Å; C391-S393 PolarHBondContact O-N 3.38Å; C391-T394 WeakPolarHBondContact O-CB 3.3Å; C391-T394 PolarHBondContact O-N 3.25Å; C391-T394 VanDerWaalsContact O-N 3.12Å; C391-L395 WeakPolarHBondContact O-CG 3.36Å; C391-L395 PolarHBondContact O-N 3.12Å |
| 392 | V | 96.3 | Very high | 93.5 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | A388 T394 L395 L396 I417 Y425 I428 | A388-V392 WeakPolarHBondContact O-CG2 3.43Å; A388-V392 PolarHBondContact O-N 3.46Å; V392-T394 VanDerWaalsContact C-N 3.27Å; V392-T394 PolarHBondContact O-N 3.03Å; V392-L395 PolarHBondContact O-N 3.04Å; V392-L396 HydrophobicContact CG1-CD1 4.42Å; V392-L396 WeakPolarHBondContact O-CG 3.33Å; V392-L396 PolarHBondContact O-N 2.95Å; V392-I417 HydrophobicContact CG2-CD1 4.12Å; V392-I417 HydrophobicContact CG2-CG2 3.93Å; V392-Y425 HydrophobicContact CG2-CD1 4.3Å; V392-Y425 HydrophobicContact CG2-CD2 4.26Å; V392-Y425 HydrophobicContact CG2-CE1 4.42Å; V392-Y425 HydrophobicContact CG2-CE2 4.37Å; V392-Y425 HydrophobicContact CG2-CG 4.23Å; V392-I428 HydrophobicContact CG1-CD1 3.7Å; V392-I428 HydrophobicContact CG1-CG2 4.03Å |
| 393 | S | 95.9 | Very high | 93.6 | Very high | 62 Ų | 62 | 52 Ų | 52 | 43% | 0.434 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.2 | -42.3 | 174.3 | -174.5 | 0 | 0 | 0 | 0 | 112.3 | E389 R390 C391 L396 D397 | E389-S393 WeakPolarHBondContact O-CB 3.38Å; E389-S393 PolarHBondContact O-N 3.29Å; R390-S393 PolarHBondContact O-N 3.45Å; C391-S393 PolarHBondContact O-N 3.38Å; S393-L396 PolarHBondContact O-N 3.3Å; S393-D397 PolarHBondContact O-N 2.81Å; S393-D397 VanDerWaalsContact O-N 3.09Å |
| 394 | T | 97 | Very high | 93.7 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 10% | 0.104 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 178.8 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | K359 I377 R390 C391 V392 L396 D397 L398 | K359-T394 HydrophobicContact CB-CG2 4.08Å; K359-T394 HydrophobicContact CD-CG2 4.33Å; K359-T394 HydrophobicContact CG-CG2 4.35Å; I377-T394 HydrophobicContact CD1-CG2 3.98Å; R390-T394 WeakPolarHBondContact O-CB 3.39Å; R390-T394 PolarHBondContact O-N 3.3Å; R390-T394 PolarHBondContact O-OG1 3.47Å; C391-T394 WeakPolarHBondContact O-CB 3.3Å; C391-T394 PolarHBondContact O-N 3.25Å; C391-T394 VanDerWaalsContact O-N 3.12Å; V392-T394 VanDerWaalsContact C-N 3.27Å; V392-T394 PolarHBondContact O-N 3.03Å; T394-L396 VanDerWaalsContact C-N 3.33Å; T394-L396 PolarHBondContact O-N 3.18Å; T394-D397 WeakPolarHBondContact O-CB 3.4Å; T394-D397 PolarHBondContact O-N 3.4Å; T394-L398 WeakPolarHBondContact O-CG 3.22Å; T394-L398 PolarHBondContact O-N 3.21Å |
| 395 | L | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 176.7 | -68.2 | 165.6 | 0 | 0 | 0 | 111.8 | V374 I377 C391 V392 L398 I399 A410 V413 I414 I417 | V374-L395 HydrophobicContact CG1-CD2 3.87Å; I377-L395 HydrophobicContact CB-CD2 4.21Å; I377-L395 HydrophobicContact CD1-CD2 4.37Å; I377-L395 HydrophobicContact CG2-CD1 4.23Å; I377-L395 HydrophobicContact CG2-CD2 4.01Å; I377-L395 HydrophobicContact CG2-CG 3.83Å; C391-L395 WeakPolarHBondContact O-CG 3.36Å; C391-L395 PolarHBondContact O-N 3.12Å; V392-L395 PolarHBondContact O-N 3.04Å; L395-L398 WeakPolarHBondContact O-CB 3.48Å; L395-L398 PolarHBondContact O-N 3.02Å; L395-I399 WeakPolarHBondContact O-CG1 3.22Å; L395-I399 PolarHBondContact O-N 2.66Å; L395-A410 HydrophobicContact CD2-CB 4.13Å; L395-V413 HydrophobicContact CD1-CB 4.45Å; L395-V413 HydrophobicContact CD1-CG1 3.62Å; L395-V413 HydrophobicContact CD2-CG1 4.21Å; L395-I414 HydrophobicContact CB-CD1 4.15Å; L395-I414 HydrophobicContact CB-CG1 4.32Å; L395-I414 HydrophobicContact CD1-CG1 3.89Å; L395-I417 HydrophobicContact CD1-CD1 3.62Å |
| 396 | L | 95.9 | Very high | 94 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 174.1 | -73.9 | 177.3 | 0 | 0 | 0 | 112.1 | V392 S393 T394 L398 I399 Q400 I428 T431 | V392-L396 HydrophobicContact CG1-CD1 4.42Å; V392-L396 WeakPolarHBondContact O-CG 3.33Å; V392-L396 PolarHBondContact O-N 2.95Å; S393-L396 PolarHBondContact O-N 3.3Å; T394-L396 VanDerWaalsContact C-N 3.33Å; T394-L396 PolarHBondContact O-N 3.18Å; L396-L398 PolarHBondContact O-N 3.42Å; L396-I399 PolarHBondContact O-N 3.34Å; L396-Q400 WeakPolarHBondContact O-CG 3.31Å; L396-Q400 PolarHBondContact O-N 3.19Å; L396-I428 HydrophobicContact CD1-CB 4.2Å; L396-I428 HydrophobicContact CD1-CG2 3.74Å; L396-I428 HydrophobicContact CD2-CB 4.06Å; L396-T431 HydrophobicContact CD2-CG2 4.14Å |
| 397 | D | 95.6 | Very high | 94.2 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 31% | 0.31 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.1 | -40.4 | 173.9 | -70.6 | -7.3 | 0 | 0 | 0 | 111.2 | K359 S393 T394 Q400 T401 | K359-D397 IonicContact NZ-OD2 2.83Å; K359-D397 PolarHBondContact NZ-OD2 3.06Å; S393-D397 PolarHBondContact O-N 2.81Å; S393-D397 VanDerWaalsContact O-N 3.09Å; T394-D397 WeakPolarHBondContact O-CB 3.4Å; T394-D397 PolarHBondContact O-N 3.4Å; D397-Q400 WeakPolarHBondContact O-CB 3.28Å; D397-Q400 PolarHBondContact O-N 3.33Å; D397-T401 PolarHBondContact O-N 3.17Å |
| 398 | L | 95.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67 | -39.8 | 176.9 | -69.5 | 179.2 | 0 | 0 | 0 | 111.9 | K359 A362 V374 I377 T394 L395 L396 Q400 T401 V406 | K359-L398 HydrophobicContact CG-CD2 4.13Å; A362-L398 HydrophobicContact CB-CD1 3.97Å; A362-L398 HydrophobicContact CB-CD2 3.55Å; A362-L398 HydrophobicContact CB-CG 4.42Å; V374-L398 HydrophobicContact CG2-CD1 4.19Å; I377-L398 HydrophobicContact CD1-CD1 3.65Å; T394-L398 WeakPolarHBondContact O-CG 3.22Å; T394-L398 PolarHBondContact O-N 3.21Å; L395-L398 WeakPolarHBondContact O-CB 3.48Å; L395-L398 PolarHBondContact O-N 3.02Å; L396-L398 PolarHBondContact O-N 3.42Å; L398-Q400 VanDerWaalsContact C-N 3.27Å; L398-Q400 PolarHBondContact O-N 2.8Å; L398-T401 WeakPolarHBondContact O-CB 3.35Å; L398-T401 WeakPolarHBondContact O-CG2 3.29Å; L398-T401 PolarHBondContact O-N 2.71Å; L398-T401 VanDerWaalsContact O-N 3.12Å; L398-T401 PolarHBondContact O-OG1 3.12Å; L398-V406 HydrophobicContact CB-CG1 3.86Å |
| 399 | I | 94.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -37.6 | 174.7 | -70.9 | 166 | 0 | 0 | 0 | 110.9 | L395 L396 T401 K402 V407 A410 I414 L432 N435 | L395-I399 WeakPolarHBondContact O-CG1 3.22Å; L395-I399 PolarHBondContact O-N 2.66Å; L396-I399 PolarHBondContact O-N 3.34Å; I399-T401 PolarHBondContact O-N 2.81Å; I399-K402 PolarHBondContact O-N 3.26Å; I399-V407 HydrophobicContact CG2-CG1 4.44Å; I399-V407 HydrophobicContact CG2-CG2 4.46Å; I399-A410 HydrophobicContact CD1-CB 4.01Å; I399-A410 HydrophobicContact CG1-CB 3.75Å; I399-I414 HydrophobicContact CD1-CD1 3.68Å; I399-L432 HydrophobicContact CD1-CD2 3.64Å; I399-N435 HydrophobicContact CG2-CB 4.49Å; I399-N435 WeakPolarHBondContact CG2-ND2 3.42Å |
| 400 | Q | 92.6 | Very high | 94.8 | Very high | 132 Ų | 132 | 40 Ų | 40 | 62% | 0.617 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -64.8 | -16.8 | 177 | -71.4 | 177.3 | 9.8 | 0 | 0 | 113.9 | L396 D397 L398 K402 | L396-Q400 WeakPolarHBondContact O-CG 3.31Å; L396-Q400 PolarHBondContact O-N 3.19Å; D397-Q400 WeakPolarHBondContact O-CB 3.28Å; D397-Q400 PolarHBondContact O-N 3.33Å; L398-Q400 VanDerWaalsContact C-N 3.27Å; L398-Q400 PolarHBondContact O-N 2.8Å; Q400-K402 PolarHBondContact O-N 3.4Å |
| 401 | T | 91.8 | Very high | 94.8 | Very high | 75 Ų | 75 | 34 Ų | 34 | 46% | 0.46 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.8 | 172.8 | 70.6 | 0 | 0 | 0 | 0 | 113 | D397 L398 I399 V403 | D397-T401 PolarHBondContact O-N 3.17Å; L398-T401 WeakPolarHBondContact O-CB 3.35Å; L398-T401 WeakPolarHBondContact O-CG2 3.29Å; L398-T401 PolarHBondContact O-N 2.71Å; L398-T401 VanDerWaalsContact O-N 3.12Å; L398-T401 PolarHBondContact O-OG1 3.12Å; I399-T401 PolarHBondContact O-N 2.81Å; T401-V403 PolarHBondContact O-N 3.37Å |
| 402 | K | 90.4 | Very high | 94.8 | Very high | 114 Ų | 114 | 34.6 Ų | 34.6 | 50% | 0.496 | 18% | 0.181 | S | C | . | . | trans | 57.1 | 26.1 | -179.5 | -57.7 | -67.9 | -174 | 168.6 | 0 | 113.7 | I399 Q400 N435 | I399-K402 PolarHBondContact O-N 3.26Å; Q400-K402 PolarHBondContact O-N 3.4Å; K402-N435 WeakPolarHBondContact CD-OD1 3.49Å; K402-N435 WeakPolarHBondContact CE-OD1 3.12Å; K402-N435 PolarHBondContact NZ-OD1 3.45Å | ||
| 403 | V | 92.7 | Very high | 94.8 | Very high | 51 Ų | 51 | 34.7 Ų | 34.7 | 31% | 0.309 | 18% | 0.181 | S | C | . | . | trans | -85.6 | 114 | 172.1 | -179.9 | 0 | 0 | 0 | 0 | 109 | T401 Y405 V406 V407 | T401-V403 PolarHBondContact O-N 3.37Å; V403-Y405 HydrophobicContact CG1-CD1 3.86Å; V403-Y405 HydrophobicContact CG1-CD2 4.42Å; V403-Y405 HydrophobicContact CG1-CE1 3.37Å; V403-Y405 HydrophobicContact CG1-CE2 4.01Å; V403-Y405 HydrophobicContact CG1-CG 4.35Å; V403-Y405 VanDerWaalsContact CG1-CZ 3.46Å; V403-Y405 PolarHBondContact O-N 2.72Å; V403-V406 HydrophobicContact CB-CB 4.16Å; V403-V406 HydrophobicContact CB-CG2 3.99Å; V403-V406 HydrophobicContact CG1-CB 4.37Å; V403-V406 HydrophobicContact CG1-CG2 3.81Å; V403-V406 WeakPolarHBondContact O-CB 3.41Å; V403-V406 PolarHBondContact O-N 3.15Å; V403-V407 WeakPolarHBondContact O-CG2 3.06Å; V403-V407 PolarHBondContact O-N 3.22Å | ||
| 404 | N | 92.2 | Very high | 94.8 | Very high | 80 Ų | 80 | 31.7 Ų | 31.7 | 43% | 0.428 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -48.1 | -56.1 | -169.5 | -68.3 | -4.1 | 0 | 0 | 0 | 114.4 | V406 V407 Q408 | N404-V406 VanDerWaalsContact C-N 3.27Å; N404-V406 PolarHBondContact O-N 2.64Å; N404-V407 PolarHBondContact O-N 3.25Å; N404-Q408 WeakPolarHBondContact O-CB 3.46Å; N404-Q408 VanDerWaalsContact O-CG 3.27Å; N404-Q408 WeakPolarHBondContact O-CG 3.24Å; N404-Q408 PolarHBondContact O-N 2.93Å; N404-Q408 PolarHBondContact O-NE2 2.91Å |
| 405 | Y | 92.8 | Very high | 94.6 | Very high | 67 Ų | 67 | 33.1 Ų | 33.1 | 26% | 0.263 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.7 | -27.6 | -176.8 | 58.9 | -96.2 | 0 | 0 | 0 | 113.2 | V367 V370 V403 E409 | V367-Y405 HydrophobicContact CG1-CD1 4.41Å; V367-Y405 HydrophobicContact CG1-CD2 3.84Å; V367-Y405 HydrophobicContact CG1-CE2 4.34Å; V367-Y405 HydrophobicContact CG1-CG 3.88Å; V367-Y405 HydrophobicContact CG2-CE1 4.44Å; V370-Y405 HydrophobicContact CB-CE2 4.19Å; V370-Y405 HydrophobicContact CG1-CD2 4.18Å; V370-Y405 HydrophobicContact CG1-CE2 3.75Å; V403-Y405 HydrophobicContact CG1-CD1 3.86Å; V403-Y405 HydrophobicContact CG1-CD2 4.42Å; V403-Y405 HydrophobicContact CG1-CE1 3.37Å; V403-Y405 HydrophobicContact CG1-CE2 4.01Å; V403-Y405 HydrophobicContact CG1-CG 4.35Å; V403-Y405 VanDerWaalsContact CG1-CZ 3.46Å; V403-Y405 PolarHBondContact O-N 2.72Å; Y405-E409 WeakPolarHBondContact O-CB 3.46Å; Y405-E409 PolarHBondContact O-N 2.93Å |
| 406 | V | 95.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.1 | -45.9 | 174.9 | 179 | 0 | 0 | 0 | 0 | 110.2 | V370 V374 L398 V403 N404 Q408 E409 A410 | V370-V406 HydrophobicContact CG1-CG2 3.79Å; V374-V406 HydrophobicContact CG2-CG1 4.24Å; L398-V406 HydrophobicContact CB-CG1 3.86Å; V403-V406 HydrophobicContact CB-CB 4.16Å; V403-V406 HydrophobicContact CB-CG2 3.99Å; V403-V406 HydrophobicContact CG1-CB 4.37Å; V403-V406 HydrophobicContact CG1-CG2 3.81Å; V403-V406 WeakPolarHBondContact O-CB 3.41Å; V403-V406 PolarHBondContact O-N 3.15Å; N404-V406 VanDerWaalsContact C-N 3.27Å; N404-V406 PolarHBondContact O-N 2.64Å; V406-Q408 VanDerWaalsContact C-N 3.33Å; V406-Q408 PolarHBondContact O-N 3.35Å; V406-E409 PolarHBondContact O-N 2.99Å; V406-A410 VanDerWaalsContact O-CB 3.24Å; V406-A410 WeakPolarHBondContact O-CB 3.35Å; V406-A410 PolarHBondContact O-N 2.85Å |
| 407 | V | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.3 | -47.7 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | I399 V403 N404 A410 I411 N435 | I399-V407 HydrophobicContact CG2-CG1 4.44Å; I399-V407 HydrophobicContact CG2-CG2 4.46Å; V403-V407 WeakPolarHBondContact O-CG2 3.06Å; V403-V407 PolarHBondContact O-N 3.22Å; N404-V407 PolarHBondContact O-N 3.25Å; V407-A410 PolarHBondContact O-N 3.42Å; V407-I411 HydrophobicContact CG1-CD1 3.77Å; V407-I411 WeakPolarHBondContact O-CD1 3.41Å; V407-I411 VanDerWaalsContact O-CG1 3.29Å; V407-I411 WeakPolarHBondContact O-CG1 3.48Å; V407-I411 PolarHBondContact O-N 3.37Å; V407-N435 HydrophobicContact CG1-CB 4.05Å |
| 408 | Q | 95.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.019 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.9 | -48.6 | -179.4 | -74.6 | -175.3 | 74.8 | 0 | 0 | 112.7 | N404 V406 A410 I411 V412 S438 L439 D440 A444 | N404-Q408 WeakPolarHBondContact O-CB 3.46Å; N404-Q408 VanDerWaalsContact O-CG 3.27Å; N404-Q408 WeakPolarHBondContact O-CG 3.24Å; N404-Q408 PolarHBondContact O-N 2.93Å; N404-Q408 PolarHBondContact O-NE2 2.91Å; V406-Q408 VanDerWaalsContact C-N 3.33Å; V406-Q408 PolarHBondContact O-N 3.35Å; Q408-A410 VanDerWaalsContact C-N 3.32Å; Q408-A410 PolarHBondContact O-N 3.31Å; Q408-I411 PolarHBondContact O-N 2.98Å; Q408-V412 PolarHBondContact O-N 3.36Å; Q408-V412 VanDerWaalsContact O-N 3.16Å; Q408-S438 WeakPolarHBondContact CG-O 3.48Å; Q408-S438 PolarHBondContact NE2-O 3.4Å; Q408-S438 VanDerWaalsContact NE2-O 3.14Å; Q408-L439 HydrophobicContact CG-CD2 3.78Å; Q408-D440 PolarHBondContact NE2-OD1 3.39Å; Q408-D440 PolarHBondContact OE1-OD1 3.02Å; Q408-A444 HydrophobicContact CB-CB 3.65Å; Q408-A444 HydrophobicContact CG-CB 3.88Å |
| 409 | E | 96.2 | Very high | 93.9 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.3 | -37.9 | 177.2 | -167.3 | 66.5 | -121.7 | 0 | 0 | 111.5 | R371 V374 R375 Y405 V406 I411 V412 V413 | R371-E409 HydrophobicContact CB-CG 4.06Å; R371-E409 WeakPolarHBondContact CD-OE2 3.09Å; R371-E409 HydrophobicContact CG-CB 4.27Å; R371-E409 HydrophobicContact CG-CG 4.17Å; R371-E409 WeakPolarHBondContact CG-OE2 3.47Å; V374-E409 HydrophobicContact CB-CB 4.37Å; V374-E409 HydrophobicContact CB-CG 3.95Å; V374-E409 HydrophobicContact CG1-CB 4.1Å; V374-E409 HydrophobicContact CG1-CG 3.92Å; R375-E409 HydrophobicContact CG-CG 4.19Å; R375-E409 VanDerWaalsContact CG-OE1 3.26Å; R375-E409 WeakPolarHBondContact CG-OE1 3.36Å; R375-E409 IonicContact CZ-OE1 3.61Å; R375-E409 IonicContact CZ-OE2 3.63Å; R375-E409 IonicContact NE-OE1 2.67Å; R375-E409 PolarHBondContact NE-OE1 3.4Å; R375-E409 IonicContact NE-OE2 3.62Å; R375-E409 IonicContact NH2-OE1 3.32Å; R375-E409 PolarHBondContact NH2-OE1 3.4Å; R375-E409 IonicContact NH2-OE2 2.71Å; R375-E409 PolarHBondContact NH2-OE2 2.84Å; Y405-E409 WeakPolarHBondContact O-CB 3.46Å; Y405-E409 PolarHBondContact O-N 2.93Å; V406-E409 PolarHBondContact O-N 2.99Å; E409-I411 VanDerWaalsContact C-N 3.3Å; E409-I411 PolarHBondContact O-N 3.31Å; E409-V412 WeakPolarHBondContact O-CB 3.41Å; E409-V412 PolarHBondContact O-N 3.13Å; E409-V413 WeakPolarHBondContact O-CG2 3.17Å; E409-V413 PolarHBondContact O-N 3.19Å |
| 410 | A | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -37.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | V374 L395 I399 V406 V407 Q408 V413 I414 | V374-A410 HydrophobicContact CG1-CB 4.13Å; L395-A410 HydrophobicContact CD2-CB 4.13Å; I399-A410 HydrophobicContact CD1-CB 4.01Å; I399-A410 HydrophobicContact CG1-CB 3.75Å; V406-A410 VanDerWaalsContact O-CB 3.24Å; V406-A410 WeakPolarHBondContact O-CB 3.35Å; V406-A410 PolarHBondContact O-N 2.85Å; V407-A410 PolarHBondContact O-N 3.42Å; Q408-A410 VanDerWaalsContact C-N 3.32Å; Q408-A410 PolarHBondContact O-N 3.31Å; A410-V413 PolarHBondContact O-N 3.33Å; A410-I414 WeakPolarHBondContact O-CB 3.46Å; A410-I414 VanDerWaalsContact O-CG1 3.23Å; A410-I414 WeakPolarHBondContact O-CG1 3.39Å; A410-I414 PolarHBondContact O-N 3.28Å |
| 411 | I | 96.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.9 | -43.2 | 176.4 | -71.1 | 159.6 | 0 | 0 | 0 | 111.2 | V407 Q408 E409 V413 I414 R415 L432 L439 A447 M448 I451 | V407-I411 HydrophobicContact CG1-CD1 3.77Å; V407-I411 WeakPolarHBondContact O-CD1 3.41Å; V407-I411 VanDerWaalsContact O-CG1 3.29Å; V407-I411 WeakPolarHBondContact O-CG1 3.48Å; V407-I411 PolarHBondContact O-N 3.37Å; Q408-I411 PolarHBondContact O-N 2.98Å; E409-I411 VanDerWaalsContact C-N 3.3Å; E409-I411 PolarHBondContact O-N 3.31Å; I411-V413 VanDerWaalsContact C-N 3.28Å; I411-V413 PolarHBondContact O-N 2.93Å; I411-I414 PolarHBondContact O-N 3.07Å; I411-R415 PolarHBondContact O-N 3.05Å; I411-L432 HydrophobicContact CG1-CD2 4.3Å; I411-L439 HydrophobicContact CD1-CD2 3.61Å; I411-A447 HydrophobicContact CG2-CB 4.16Å; I411-M448 HydrophobicContact CD1-CE 3.66Å; I411-M448 HydrophobicContact CG1-CE 4.11Å; I411-M448 HydrophobicContact CG2-CB 4.24Å; I411-M448 HydrophobicContact CG2-CE 4.04Å; I411-I451 HydrophobicContact CG2-CD1 4.48Å |
| 412 | V | 95.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 31.4 Ų | 31.4 | 7% | 0.073 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.1 | -45.2 | 173.6 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | Q408 E409 R415 D416 D443 A444 A447 | Q408-V412 PolarHBondContact O-N 3.36Å; Q408-V412 VanDerWaalsContact O-N 3.16Å; E409-V412 WeakPolarHBondContact O-CB 3.41Å; E409-V412 PolarHBondContact O-N 3.13Å; V412-R415 WeakPolarHBondContact O-CB 3.35Å; V412-D416 PolarHBondContact O-N 3.12Å; V412-D443 HydrophobicContact CG2-CB 4.35Å; V412-A444 HydrophobicContact CG2-CB 4.19Å; V412-A447 HydrophobicContact CG2-CB 4.11Å |
| 413 | V | 95.6 | Very high | 93.4 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.6 | -43.7 | 177.7 | 170.9 | 0 | 0 | 0 | 0 | 112.4 | V374 R375 L395 E409 A410 I411 R415 D416 I417 | V374-V413 HydrophobicContact CG1-CG2 4.29Å; R375-V413 HydrophobicContact CG-CG2 4.15Å; L395-V413 HydrophobicContact CD1-CB 4.45Å; L395-V413 HydrophobicContact CD1-CG1 3.62Å; L395-V413 HydrophobicContact CD2-CG1 4.21Å; E409-V413 WeakPolarHBondContact O-CG2 3.17Å; E409-V413 PolarHBondContact O-N 3.19Å; A410-V413 PolarHBondContact O-N 3.33Å; I411-V413 VanDerWaalsContact C-N 3.28Å; I411-V413 PolarHBondContact O-N 2.93Å; V413-R415 VanDerWaalsContact C-N 3.34Å; V413-R415 PolarHBondContact O-N 3.45Å; V413-D416 PolarHBondContact O-N 3.32Å; V413-D416 VanDerWaalsContact O-N 3.12Å; V413-I417 HydrophobicContact CG1-CD1 4.09Å; V413-I417 WeakPolarHBondContact O-CG1 3.29Å; V413-I417 PolarHBondContact O-N 2.67Å |
| 414 | I | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.7 | -38.6 | -179.5 | -73.2 | 170.1 | 0 | 0 | 0 | 111.4 | L395 I399 A410 I411 D416 I417 F418 I428 L432 | L395-I414 HydrophobicContact CB-CD1 4.15Å; L395-I414 HydrophobicContact CB-CG1 4.32Å; L395-I414 HydrophobicContact CD1-CG1 3.89Å; I399-I414 HydrophobicContact CD1-CD1 3.68Å; A410-I414 WeakPolarHBondContact O-CB 3.46Å; A410-I414 VanDerWaalsContact O-CG1 3.23Å; A410-I414 WeakPolarHBondContact O-CG1 3.39Å; A410-I414 PolarHBondContact O-N 3.28Å; I411-I414 PolarHBondContact O-N 3.07Å; I414-D416 PolarHBondContact O-N 3.48Å; I414-I417 WeakPolarHBondContact O-CB 3.37Å; I414-I417 PolarHBondContact O-N 2.67Å; I414-I417 VanDerWaalsContact O-N 3.15Å; I414-F418 HydrophobicContact CG2-CD1 4.14Å; I414-F418 HydrophobicContact CG2-CE1 3.81Å; I414-F418 HydrophobicContact CG2-CE2 4.24Å; I414-F418 HydrophobicContact CG2-CG 4.49Å; I414-F418 HydrophobicContact CG2-CZ 3.89Å; I414-F418 PolarHBondContact O-N 3.31Å; I414-I428 HydrophobicContact CD1-CD1 4.4Å; I414-I428 HydrophobicContact CG2-CD1 3.82Å; I414-L432 HydrophobicContact CD1-CD2 3.72Å; I414-L432 HydrophobicContact CG2-CD1 3.83Å |
| 415 | R | 93.3 | Very high | 93 | Very high | 47 Ų | 47 | 30.7 Ų | 30.7 | 18% | 0.177 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -52.9 | -45.9 | 171.7 | 176.9 | -158.1 | 65 | -152.7 | -6.9 | 110.9 | I411 V412 V413 F418 R419 A447 W450 I451 | I411-R415 PolarHBondContact O-N 3.05Å; V412-R415 WeakPolarHBondContact O-CB 3.35Å; V413-R415 VanDerWaalsContact C-N 3.34Å; V413-R415 PolarHBondContact O-N 3.45Å; R415-F418 WeakPolarHBondContact O-CB 3.3Å; R415-F418 PolarHBondContact O-N 3.49Å; R415-R419 WeakPolarHBondContact O-CG 3.45Å; R415-R419 PolarHBondContact O-N 3.07Å; R415-A447 HydrophobicContact CB-CB 4.11Å; R415-A447 HydrophobicContact CG-CB 4.41Å; R415-W450 HydrophobicContact CG-CD2 4.13Å; R415-W450 HydrophobicContact CG-CE3 3.6Å; R415-W450 HydrophobicContact CG-CZ3 3.96Å; R415-I451 HydrophobicContact CB-CD1 4.11Å; R415-I451 HydrophobicContact CB-CG1 4.26Å |
| 416 | D | 92.6 | Very high | 92.6 | Very high | 42 Ų | 42 | 29.6 Ų | 29.6 | 23% | 0.225 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.8 | -35.2 | -178.5 | -63.9 | -15.3 | 0 | 0 | 0 | 111.5 | V412 V413 I414 R419 K420 I548 | V412-D416 PolarHBondContact O-N 3.12Å; V413-D416 PolarHBondContact O-N 3.32Å; V413-D416 VanDerWaalsContact O-N 3.12Å; I414-D416 PolarHBondContact O-N 3.48Å; D416-R419 PolarHBondContact O-N 3.19Å; D416-K420 PolarHBondContact O-N 3.09Å; D416-K420 VanDerWaalsContact O-N 3.09Å; D416-I548 HydrophobicContact CB-CD1 3.73Å |
| 417 | I | 93.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 170.4 | -65.1 | 173.2 | 0 | 0 | 0 | 111.2 | A381 V392 L395 V413 I414 R419 K420 Y421 Y425 | A381-I417 HydrophobicContact CB-CD1 3.83Å; A381-I417 HydrophobicContact CB-CG1 4.04Å; V392-I417 HydrophobicContact CG2-CD1 4.12Å; V392-I417 HydrophobicContact CG2-CG2 3.93Å; L395-I417 HydrophobicContact CD1-CD1 3.62Å; V413-I417 HydrophobicContact CG1-CD1 4.09Å; V413-I417 WeakPolarHBondContact O-CG1 3.29Å; V413-I417 PolarHBondContact O-N 2.67Å; I414-I417 WeakPolarHBondContact O-CB 3.37Å; I414-I417 PolarHBondContact O-N 2.67Å; I414-I417 VanDerWaalsContact O-N 3.15Å; I417-R419 VanDerWaalsContact C-N 3.28Å; I417-R419 PolarHBondContact O-N 2.85Å; I417-K420 PolarHBondContact O-N 3.02Å; I417-K420 VanDerWaalsContact O-N 3.11Å; I417-Y421 HydrophobicContact CG2-CD2 4.01Å; I417-Y421 PolarHBondContact O-N 3.03Å; I417-Y425 HydrophobicContact CG2-CD2 3.98Å; I417-Y425 HydrophobicContact CG2-CE2 4.05Å |
| 418 | F | 92.6 | Very high | 92 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.3 | -34.3 | 176.2 | -77.6 | 3.6 | 0 | 0 | 0 | 112.5 | I414 R415 K420 Y421 P422 I428 I429 L432 W450 I451 Y455 | I414-F418 HydrophobicContact CG2-CD1 4.14Å; I414-F418 HydrophobicContact CG2-CE1 3.81Å; I414-F418 HydrophobicContact CG2-CE2 4.24Å; I414-F418 HydrophobicContact CG2-CG 4.49Å; I414-F418 HydrophobicContact CG2-CZ 3.89Å; I414-F418 PolarHBondContact O-N 3.31Å; R415-F418 WeakPolarHBondContact O-CB 3.3Å; R415-F418 PolarHBondContact O-N 3.49Å; F418-K420 VanDerWaalsContact C-N 3.31Å; F418-Y421 CarbonylContact O-C 3.27Å; F418-P422 WeakPolarHBondContact O-CA 3.43Å; F418-I428 HydrophobicContact CE1-CD1 3.58Å; F418-I428 HydrophobicContact CE1-CG1 4.04Å; F418-I428 HydrophobicContact CZ-CD1 3.72Å; F418-I428 HydrophobicContact CZ-CG1 3.7Å; F418-I429 HydrophobicContact CE2-CD1 4.25Å; F418-I429 HydrophobicContact CE2-CG1 3.83Å; F418-I429 HydrophobicContact CZ-CD1 4.5Å; F418-I429 HydrophobicContact CZ-CG1 3.87Å; F418-L432 HydrophobicContact CE2-CD1 4.4Å; F418-L432 HydrophobicContact CZ-CD1 4.38Å; F418-W450 HydrophobicContact CB-CZ3 4.23Å; F418-I451 HydrophobicContact CD2-CD1 4.38Å; F418-I451 HydrophobicContact CD2-CG1 4.08Å; F418-I451 HydrophobicContact CD2-CG2 4.2Å; F418-I451 HydrophobicContact CE2-CD1 4.4Å; F418-I451 HydrophobicContact CE2-CG1 4.36Å; F418-I451 HydrophobicContact CE2-CG2 3.82Å; F418-Y455 HydrophobicContact CB-CE2 4.11Å; F418-Y455 HydrophobicContact CD2-CD2 4.02Å; F418-Y455 AromaticContact CD2-CE2 3.42Å; F418-Y455 HydrophobicContact CD2-CE2 3.42Å; F418-Y455 VanDerWaalsContact CD2-CE2 3.42Å; F418-Y455 HydrophobicContact CE2-CD2 4.29Å; F418-Y455 HydrophobicContact CE2-CE2 4.06Å; F418-Y455 HydrophobicContact CG-CE2 4.02Å |
| 419 | R | 91.4 | Very high | 91.7 | Very high | 89 Ų | 89 | 35.2 Ų | 35.2 | 34% | 0.336 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -69.2 | -29.6 | 173.9 | -71.7 | -177.4 | 62.9 | -171.8 | 0.4 | 112.8 | R415 D416 I417 W450 L547 I548 | R415-R419 WeakPolarHBondContact O-CG 3.45Å; R415-R419 PolarHBondContact O-N 3.07Å; D416-R419 PolarHBondContact O-N 3.19Å; I417-R419 VanDerWaalsContact C-N 3.28Å; I417-R419 PolarHBondContact O-N 2.85Å; R419-W450 HydrophobicContact CG-CH2 3.37Å; R419-W450 HydrophobicContact CG-CZ2 3.49Å; R419-W450 VanDerWaalsContact CG-CZ2 3.49Å; R419-W450 HydrophobicContact CG-CZ3 4.21Å; R419-L547 WeakPolarHBondContact O-CD2 3.19Å; R419-I548 HydrophobicContact CB-CD1 3.69Å; R419-I548 HydrophobicContact CB-CG1 3.96Å; R419-I548 HydrophobicContact CG-CD1 4.4Å |
| 420 | K | 91.2 | Very high | 91.4 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 17% | 0.165 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -80.2 | -40.5 | 175.3 | -179.7 | 66.4 | 178.4 | -176.1 | 0 | 112.5 | D416 I417 F418 P422 I548 | D416-K420 PolarHBondContact O-N 3.09Å; D416-K420 VanDerWaalsContact O-N 3.09Å; I417-K420 PolarHBondContact O-N 3.02Å; I417-K420 VanDerWaalsContact O-N 3.11Å; F418-K420 VanDerWaalsContact C-N 3.31Å; K420-P422 WeakPolarHBondContact O-CD 3.21Å; K420-I548 VanDerWaalsContact CD-O 3.24Å; K420-I548 WeakPolarHBondContact CD-O 3.18Å; K420-I548 PolarHBondContact NZ-O 2.75Å |
| 421 | Y | 91.7 | Very high | 91.1 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 10% | 0.098 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -124 | 71.7 | -176 | -54.1 | -67.4 | 0 | 0 | 0 | 110.8 | A381 E385 A388 I417 F418 K424 Y425 | A381-Y421 PolarHBondContact O-OH 3.44Å; A381-Y421 VanDerWaalsContact O-OH 3.11Å; E385-Y421 WeakPolarHBondContact CA-OH 3.28Å; E385-Y421 HydrophobicContact CB-CE1 4.38Å; E385-Y421 WeakPolarHBondContact CB-OH 3.37Å; E385-Y421 HydrophobicContact CG-CE1 4.46Å; E385-Y421 WeakPolarHBondContact CG-OH 3.38Å; A388-Y421 HydrophobicContact CB-CD2 4.17Å; A388-Y421 HydrophobicContact CB-CE2 3.65Å; I417-Y421 HydrophobicContact CG2-CD2 4.01Å; I417-Y421 PolarHBondContact O-N 3.03Å; F418-Y421 CarbonylContact O-C 3.27Å; Y421-K424 PolarHBondContact O-N 3.47Å; Y421-Y425 AromaticContact CD2-CE2 3.9Å; Y421-Y425 HydrophobicContact CD2-CE2 3.9Å; Y421-Y425 HydrophobicContact CG-CE2 4.06Å |
| 422 | P | 88.1 | Confident | 90.8 | Very high | 71 Ų | 71 | 39.7 Ų | 39.7 | 46% | 0.461 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 142.1 | -178.7 | 25.3 | -34.1 | 0 | 0 | 0 | 111.1 | F418 K420 K424 | F418-P422 WeakPolarHBondContact O-CA 3.43Å; K420-P422 WeakPolarHBondContact O-CD 3.21Å; P422-K424 PolarHBondContact O-N 3.25Å |
| 423 | N | 85.6 | Confident | 90.5 | Very high | 111 Ų | 111 | 40.1 Ų | 40.1 | 59% | 0.594 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 14.1 | 175.1 | -50.6 | -34.9 | 0 | 0 | 0 | 116.1 | E426 Y455 | N423-E426 VanDerWaalsContact CA-OE1 3.31Å; N423-E426 WeakPolarHBondContact CA-OE1 3.39Å; N423-E426 WeakPolarHBondContact CB-OE1 3.35Å; N423-Y455 PolarHBondContact N-OH 2.95Å; N423-Y455 WeakPolarHBondContact OD1-CE1 3.36Å |
| 424 | K | 88.2 | Confident | 90.2 | Very high | 104 Ų | 104 | 46.2 Ų | 46.2 | 45% | 0.452 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -34.7 | -177.7 | -168.1 | 176 | 177.7 | -168.4 | 0 | 113.8 | E389 Y421 P422 | E389-K424 IonicContact OE1-NZ 3.61Å; Y421-K424 PolarHBondContact O-N 3.47Å; P422-K424 PolarHBondContact O-N 3.25Å |
| 425 | Y | 88.8 | Confident | 89.8 | Confident | 15 Ų | 15 | 46.5 Ų | 46.5 | 6% | 0.059 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -117.2 | 30.8 | -169.3 | -61.1 | -62.2 | 0 | 0 | 0 | 112.6 | A388 E389 V392 I417 Y421 S427 I428 | A388-Y425 HydrophobicContact CB-CE2 4.42Å; A388-Y425 VanDerWaalsContact CB-OH 3.27Å; A388-Y425 WeakPolarHBondContact CB-OH 3.44Å; E389-Y425 HydrophobicContact CG-CE1 3.63Å; E389-Y425 PolarHBondContact N-OH 3.41Å; V392-Y425 HydrophobicContact CG2-CD1 4.3Å; V392-Y425 HydrophobicContact CG2-CD2 4.26Å; V392-Y425 HydrophobicContact CG2-CE1 4.42Å; V392-Y425 HydrophobicContact CG2-CE2 4.37Å; V392-Y425 HydrophobicContact CG2-CG 4.23Å; I417-Y425 HydrophobicContact CG2-CD2 3.98Å; I417-Y425 HydrophobicContact CG2-CE2 4.05Å; Y421-Y425 AromaticContact CD2-CE2 3.9Å; Y421-Y425 HydrophobicContact CD2-CE2 3.9Å; Y421-Y425 HydrophobicContact CG-CE2 4.06Å; Y425-S427 PolarHBondContact O-N 3.19Å; Y425-I428 VanDerWaalsContact O-CG1 3.3Å; Y425-I428 WeakPolarHBondContact O-CG1 3.42Å; Y425-I428 PolarHBondContact O-N 3.25Å |
| 426 | E | 85 | Confident | 89.5 | Confident | 43 Ų | 43 | 45.4 Ų | 45.4 | 20% | 0.201 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -61.2 | -27.2 | -174.1 | -62.5 | 177 | -172.1 | 0 | 0 | 113.6 | N423 I428 I429 Y455 R458 | N423-E426 VanDerWaalsContact CA-OE1 3.31Å; N423-E426 WeakPolarHBondContact CA-OE1 3.39Å; N423-E426 WeakPolarHBondContact CB-OE1 3.35Å; E426-I428 PolarHBondContact O-N 3.44Å; E426-I429 HydrophobicContact CB-CD1 4.25Å; E426-I429 WeakPolarHBondContact O-CB 3.49Å; E426-I429 VanDerWaalsContact O-CG1 3.32Å; E426-I429 WeakPolarHBondContact O-CG1 3.36Å; E426-I429 PolarHBondContact O-N 3.21Å; E426-Y455 HydrophobicContact CG-CD1 4.35Å; E426-Y455 HydrophobicContact CG-CE1 4.26Å; E426-R458 IonicContact OE2-CZ 3.19Å; E426-R458 IonicContact OE2-NE 3.95Å; E426-R458 IonicContact OE2-NH1 2.7Å; E426-R458 PolarHBondContact OE2-NH1 3.35Å; E426-R458 IonicContact OE2-NH2 3.07Å |
| 427 | S | 87 | Confident | 89.1 | Confident | 110 Ų | 110 | 51.3 Ų | 51.3 | 77% | 0.769 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -61.3 | -17.8 | -178.3 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | Y425 | Y425-S427 PolarHBondContact O-N 3.19Š|
| 428 | I | 90.9 | Very high | 88.8 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 5% | 0.046 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -89.9 | -13.7 | -176.4 | 82.2 | -173.9 | 0 | 0 | 0 | 112.5 | V392 L396 I414 F418 Y425 E426 A430 T431 L432 | V392-I428 HydrophobicContact CG1-CD1 3.7Å; V392-I428 HydrophobicContact CG1-CG2 4.03Å; L396-I428 HydrophobicContact CD1-CB 4.2Å; L396-I428 HydrophobicContact CD1-CG2 3.74Å; L396-I428 HydrophobicContact CD2-CB 4.06Å; I414-I428 HydrophobicContact CD1-CD1 4.4Å; I414-I428 HydrophobicContact CG2-CD1 3.82Å; F418-I428 HydrophobicContact CE1-CD1 3.58Å; F418-I428 HydrophobicContact CE1-CG1 4.04Å; F418-I428 HydrophobicContact CZ-CD1 3.72Å; F418-I428 HydrophobicContact CZ-CG1 3.7Å; Y425-I428 VanDerWaalsContact O-CG1 3.3Å; Y425-I428 WeakPolarHBondContact O-CG1 3.42Å; Y425-I428 PolarHBondContact O-N 3.25Å; E426-I428 PolarHBondContact O-N 3.44Å; I428-A430 VanDerWaalsContact C-N 3.28Å; I428-A430 PolarHBondContact O-N 3.24Å; I428-T431 WeakPolarHBondContact O-CB 2.96Å; I428-T431 PolarHBondContact O-N 3.19Å; I428-T431 VanDerWaalsContact O-N 3.08Å; I428-L432 HydrophobicContact CG1-CD1 4.28Å; I428-L432 HydrophobicContact CG1-CG 4.49Å; I428-L432 WeakPolarHBondContact O-CG 3.27Å; I428-L432 PolarHBondContact O-N 2.91Å; I428-L432 VanDerWaalsContact O-N 3.14Å |
| 429 | I | 90.1 | Very high | 88.6 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -39.1 | -172.5 | -66 | 171.7 | 0 | 0 | 0 | 111.4 | F418 E426 T431 L432 C433 Y455 I459 | F418-I429 HydrophobicContact CE2-CD1 4.25Å; F418-I429 HydrophobicContact CE2-CG1 3.83Å; F418-I429 HydrophobicContact CZ-CD1 4.5Å; F418-I429 HydrophobicContact CZ-CG1 3.87Å; E426-I429 HydrophobicContact CB-CD1 4.25Å; E426-I429 WeakPolarHBondContact O-CB 3.49Å; E426-I429 VanDerWaalsContact O-CG1 3.32Å; E426-I429 WeakPolarHBondContact O-CG1 3.36Å; E426-I429 PolarHBondContact O-N 3.21Å; I429-T431 PolarHBondContact O-N 3.28Å; I429-L432 WeakPolarHBondContact O-CB 3.44Å; I429-L432 PolarHBondContact O-N 3.02Å; I429-L432 VanDerWaalsContact O-N 3.12Å; I429-C433 PolarHBondContact O-N 3.01Å; I429-C433 PolarHBondContact O-SG 3.14Å; I429-Y455 HydrophobicContact CD1-CD1 4Å; I429-Y455 HydrophobicContact CD1-CD2 4.2Å; I429-Y455 HydrophobicContact CD1-CG 3.68Å; I429-I459 HydrophobicContact CG2-CD1 3.54Å; I429-I459 HydrophobicContact CG2-CG1 3.56Å |
| 430 | A | 89 | Confident | 88.6 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 50% | 0.504 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I428 L432 C433 E434 | I428-A430 VanDerWaalsContact C-N 3.28Å; I428-A430 PolarHBondContact O-N 3.24Å; A430-L432 VanDerWaalsContact C-N 3.26Å; A430-L432 PolarHBondContact O-N 3.3Å; A430-C433 PolarHBondContact O-N 2.87Å; A430-C433 VanDerWaalsContact O-N 3.16Å; A430-E434 WeakPolarHBondContact O-CG 3.49Å; A430-E434 PolarHBondContact O-N 3.4Å |
| 431 | T | 90 | Very high | 88.7 | Confident | 39 Ų | 39 | 54.7 Ų | 54.7 | 24% | 0.239 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.5 | -34.9 | 176.1 | -49.2 | 0 | 0 | 0 | 0 | 112.2 | L396 I428 I429 N435 | L396-T431 HydrophobicContact CD2-CG2 4.14Å; I428-T431 WeakPolarHBondContact O-CB 2.96Å; I428-T431 PolarHBondContact O-N 3.19Å; I428-T431 VanDerWaalsContact O-N 3.08Å; I429-T431 PolarHBondContact O-N 3.28Å; T431-N435 PolarHBondContact O-ND2 3.41Å |
| 432 | L | 91.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.3 | -44.2 | 176.1 | -58.7 | -180 | 0 | 0 | 0 | 111.6 | I399 I411 I414 F418 I428 I429 A430 E434 N435 M448 I451 | I399-L432 HydrophobicContact CD1-CD2 3.64Å; I411-L432 HydrophobicContact CG1-CD2 4.3Å; I414-L432 HydrophobicContact CD1-CD2 3.72Å; I414-L432 HydrophobicContact CG2-CD1 3.83Å; F418-L432 HydrophobicContact CE2-CD1 4.4Å; F418-L432 HydrophobicContact CZ-CD1 4.38Å; I428-L432 HydrophobicContact CG1-CD1 4.28Å; I428-L432 HydrophobicContact CG1-CG 4.49Å; I428-L432 WeakPolarHBondContact O-CG 3.27Å; I428-L432 PolarHBondContact O-N 2.91Å; I428-L432 VanDerWaalsContact O-N 3.14Å; I429-L432 WeakPolarHBondContact O-CB 3.44Å; I429-L432 PolarHBondContact O-N 3.02Å; I429-L432 VanDerWaalsContact O-N 3.12Å; A430-L432 VanDerWaalsContact C-N 3.26Å; A430-L432 PolarHBondContact O-N 3.3Å; L432-E434 VanDerWaalsContact C-N 3.3Å; L432-E434 PolarHBondContact O-N 2.63Å; L432-N435 PolarHBondContact O-N 3.02Å; L432-N435 VanDerWaalsContact O-N 3.11Å; L432-M448 HydrophobicContact CB-CE 4.01Å; L432-M448 HydrophobicContact CB-SD 4.37Å; L432-M448 VanDerWaalsContact O-CE 3.29Å; L432-M448 WeakPolarHBondContact O-CE 3.48Å; L432-I451 HydrophobicContact CD1-CD1 4.04Å |
| 433 | C | 89.4 | Confident | 89.2 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 14% | 0.142 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.8 | -30.7 | -179.4 | -61 | 0 | 0 | 0 | 0 | 112.4 | I429 A430 N435 L436 L465 | I429-C433 PolarHBondContact O-N 3.01Å; I429-C433 PolarHBondContact O-SG 3.14Å; A430-C433 PolarHBondContact O-N 2.87Å; A430-C433 VanDerWaalsContact O-N 3.16Å; C433-N435 PolarHBondContact O-N 3.39Å; C433-N435 VanDerWaalsContact O-N 3.14Å; C433-L436 HydrophobicContact CB-CD1 4.48Å; C433-L436 VanDerWaalsContact O-CD1 3.31Å; C433-L436 WeakPolarHBondContact O-CD1 3.47Å; C433-L436 WeakPolarHBondContact O-CG 3.33Å; C433-L436 PolarHBondContact O-N 2.99Å; C433-L465 HydrophobicContact CB-CD1 4.16Å |
| 434 | E | 88.8 | Confident | 89.7 | Confident | 136 Ų | 136 | 51 Ų | 51 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -11.5 | 173.3 | -71.8 | 172.7 | -168.4 | 0 | 0 | 114.1 | A430 L432 | A430-E434 WeakPolarHBondContact O-CG 3.49Å; A430-E434 PolarHBondContact O-N 3.4Å; L432-E434 VanDerWaalsContact C-N 3.3Å; L432-E434 PolarHBondContact O-N 2.63Å |
| 435 | N | 87.9 | Confident | 90 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 16.5 | -177.2 | -70.7 | -84.7 | 0 | 0 | 0 | 113.3 | I399 K402 V407 T431 L432 C433 D437 S438 | I399-N435 HydrophobicContact CG2-CB 4.49Å; I399-N435 WeakPolarHBondContact CG2-ND2 3.42Å; K402-N435 WeakPolarHBondContact CD-OD1 3.49Å; K402-N435 WeakPolarHBondContact CE-OD1 3.12Å; K402-N435 PolarHBondContact NZ-OD1 3.45Å; V407-N435 HydrophobicContact CG1-CB 4.05Å; T431-N435 PolarHBondContact O-ND2 3.41Å; L432-N435 PolarHBondContact O-N 3.02Å; L432-N435 VanDerWaalsContact O-N 3.11Å; C433-N435 PolarHBondContact O-N 3.39Å; C433-N435 VanDerWaalsContact O-N 3.14Å; N435-D437 VanDerWaalsContact C-N 3.26Å; N435-D437 PolarHBondContact O-N 3.34Å; N435-S438 WeakPolarHBondContact O-CB 3.22Å; N435-S438 PolarHBondContact O-N 3.27Å; N435-S438 VanDerWaalsContact O-N 3.14Å |
| 436 | L | 85.8 | Confident | 90.4 | Very high | 24 Ų | 24 | 48 Ų | 48 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -57.9 | -36 | -178.7 | -75.3 | 168.8 | 0 | 0 | 0 | 113.8 | C433 S438 L439 M448 L465 F469 | C433-L436 HydrophobicContact CB-CD1 4.48Å; C433-L436 VanDerWaalsContact O-CD1 3.31Å; C433-L436 WeakPolarHBondContact O-CD1 3.47Å; C433-L436 WeakPolarHBondContact O-CG 3.33Å; C433-L436 PolarHBondContact O-N 2.99Å; L436-S438 PolarHBondContact O-N 2.97Å; L436-L439 HydrophobicContact CD2-CD1 3.91Å; L436-L439 WeakPolarHBondContact O-CB 3.46Å; L436-L439 WeakPolarHBondContact O-CG 3.4Å; L436-L439 PolarHBondContact O-N 3.18Å; L436-L439 VanDerWaalsContact O-N 3.13Å; L436-M448 HydrophobicContact CD2-CE 3.96Å; L436-M448 HydrophobicContact CD2-CG 3.32Å; L436-M448 HydrophobicContact CD2-SD 3.97Å; L436-L465 HydrophobicContact CD1-CD1 4.05Å; L436-L465 HydrophobicContact CD1-CD2 3.32Å; L436-L465 HydrophobicContact CD1-CG 4.17Å; L436-F469 HydrophobicContact CD2-CE2 4.06Å; L436-F469 HydrophobicContact CD2-CZ 3.93Å |
| 437 | D | 85.7 | Confident | 91 | Very high | 166 Ų | 166 | 46 Ų | 46 | 89% | 0.888 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -63.4 | -15.9 | -179.2 | -58.6 | -30 | 0 | 0 | 0 | 113.3 | N435 L439 | N435-D437 VanDerWaalsContact C-N 3.26Å; N435-D437 PolarHBondContact O-N 3.34Å; D437-L439 VanDerWaalsContact C-N 3.33Å |
| 438 | S | 86.2 | Confident | 91.4 | Very high | 21 Ų | 21 | 40.7 Ų | 40.7 | 15% | 0.147 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -87 | 0.6 | 179.8 | -52.9 | 0 | 0 | 0 | 0 | 113.7 | Q408 N435 L436 | Q408-S438 WeakPolarHBondContact CG-O 3.48Å; Q408-S438 PolarHBondContact NE2-O 3.4Å; Q408-S438 VanDerWaalsContact NE2-O 3.14Å; N435-S438 WeakPolarHBondContact O-CB 3.22Å; N435-S438 PolarHBondContact O-N 3.27Å; N435-S438 VanDerWaalsContact O-N 3.14Å; L436-S438 PolarHBondContact O-N 2.97Å |
| 439 | L | 89.6 | Confident | 91.7 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | trans | -95.6 | 103.7 | -172.1 | -60.5 | -176.9 | 0 | 0 | 0 | 113 | Q408 I411 L436 D437 A444 R445 M448 | Q408-L439 HydrophobicContact CG-CD2 3.78Å; I411-L439 HydrophobicContact CD1-CD2 3.61Å; L436-L439 HydrophobicContact CD2-CD1 3.91Å; L436-L439 WeakPolarHBondContact O-CB 3.46Å; L436-L439 WeakPolarHBondContact O-CG 3.4Å; L436-L439 PolarHBondContact O-N 3.18Å; L436-L439 VanDerWaalsContact O-N 3.13Å; D437-L439 VanDerWaalsContact C-N 3.33Å; L439-A444 HydrophobicContact CD2-CB 3.91Å; L439-R445 HydrophobicContact CB-CG 3.89Å; L439-R445 PolarHBondContact O-NH1 3.41Å; L439-M448 HydrophobicContact CD1-CB 3.63Å; L439-M448 HydrophobicContact CD1-CE 4.05Å; L439-M448 HydrophobicContact CD1-CG 3.81Å | ||
| 440 | D | 90.8 | Very high | 92 | Very high | 110 Ų | 110 | 41.8 Ų | 41.8 | 59% | 0.588 | 23% | 0.227 | S | C | * | . | trans | -113.7 | -25.3 | 174.3 | 58.1 | 9 | 0 | 0 | 0 | 113.5 | Q408 | Q408-D440 PolarHBondContact NE2-OD1 3.39Å; Q408-D440 PolarHBondContact OE1-OD1 3.02Å | ||
| 441 | E | 92.2 | Very high | 92.3 | Very high | 61 Ų | 61 | 38.9 Ų | 38.9 | 29% | 0.285 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -81.7 | 140.8 | 178.9 | -66.6 | -174 | 171.5 | 0 | 0 | 113.3 | R371 D443 A444 R445 | R371-E441 IonicContact CZ-OE1 3.75Å; R371-E441 IonicContact NE-OE1 2.66Å; R371-E441 IonicContact NH2-OE1 3.66Å; R371-E441 PolarHBondContact NH2-OE1 2.79Å; R371-E441 IonicContact NH2-OE2 2.9Å; E441-D443 VanDerWaalsContact C-N 3.29Å; E441-D443 PolarHBondContact O-N 3.3Å; E441-A444 PolarHBondContact O-N 3.26Å; E441-R445 WeakPolarHBondContact O-CG 3.22Å; E441-R445 PolarHBondContact O-N 3.5Å |
| 442 | P | 95 | Very high | 92.5 | Very high | 59 Ų | 59 | 37 Ų | 37 | 38% | 0.383 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63 | -33.2 | -176.5 | 25.1 | -34.9 | 0 | 0 | 0 | 113.2 | A446 S477 V480 | P442-A446 WeakPolarHBondContact O-CB 3.39Å; P442-A446 PolarHBondContact O-N 3.28Å; P442-S477 WeakPolarHBondContact CB-OG 3.24Å; P442-V480 HydrophobicContact CB-CG2 4.01Å; P442-V480 VanDerWaalsContact O-CG2 3.3Å; P442-V480 WeakPolarHBondContact O-CG2 3.38Å |
| 443 | D | 95.3 | Very high | 92.6 | Very high | 72 Ų | 72 | 37.1 Ų | 37.1 | 39% | 0.385 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.7 | -41.8 | 179 | -76.8 | -11.1 | 0 | 0 | 0 | 112 | V412 E441 A447 Q479 | V412-D443 HydrophobicContact CG2-CB 4.35Å; E441-D443 VanDerWaalsContact C-N 3.29Å; E441-D443 PolarHBondContact O-N 3.3Å; D443-A447 VanDerWaalsContact O-CB 3.27Å; D443-A447 WeakPolarHBondContact O-CB 3.41Å; D443-A447 PolarHBondContact O-N 3.18Å; D443-Q479 PolarHBondContact OD1-NE2 2.89Å |
| 444 | A | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.7 | -40.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q408 V412 L439 E441 A447 M448 | Q408-A444 HydrophobicContact CB-CB 3.65Å; Q408-A444 HydrophobicContact CG-CB 3.88Å; V412-A444 HydrophobicContact CG2-CB 4.19Å; L439-A444 HydrophobicContact CD2-CB 3.91Å; E441-A444 PolarHBondContact O-N 3.26Å; A444-A447 WeakPolarHBondContact O-CB 3.33Å; A444-A447 PolarHBondContact O-N 3.28Å; A444-M448 WeakPolarHBondContact O-CB 3.47Å; A444-M448 PolarHBondContact O-N 2.93Å |
| 445 | R | 95.9 | Very high | 92.9 | Very high | 51 Ų | 51 | 32.6 Ų | 32.6 | 19% | 0.192 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.9 | -50.3 | 172.7 | -67.9 | 176.9 | 76.3 | 74.2 | -0 | 111.2 | L439 E441 A447 M448 I449 F469 E476 V480 | L439-R445 HydrophobicContact CB-CG 3.89Å; L439-R445 PolarHBondContact O-NH1 3.41Å; E441-R445 WeakPolarHBondContact O-CG 3.22Å; E441-R445 PolarHBondContact O-N 3.5Å; R445-A447 VanDerWaalsContact C-N 3.29Å; R445-A447 PolarHBondContact O-N 3.3Å; R445-M448 PolarHBondContact O-N 3.47Å; R445-I449 WeakPolarHBondContact O-CB 3.49Å; R445-I449 WeakPolarHBondContact O-CD1 3.25Å; R445-I449 VanDerWaalsContact O-CG1 3.26Å; R445-I449 WeakPolarHBondContact O-CG1 3.49Å; R445-I449 PolarHBondContact O-N 3.28Å; R445-F469 HydrophobicContact CB-CE1 4.41Å; R445-F469 HydrophobicContact CG-CE1 4.42Å; R445-E476 IonicContact CZ-OE1 3.15Å; R445-E476 IonicContact NE-OE1 2.69Å; R445-E476 PolarHBondContact NE-OE1 2.87Å; R445-E476 IonicContact NE-OE2 3.28Å; R445-E476 PolarHBondContact NE-OE2 3.02Å; R445-E476 IonicContact NH2-OE1 2.63Å; R445-E476 PolarHBondContact NH2-OE1 2.86Å; R445-V480 HydrophobicContact CB-CG2 4.08Å |
| 446 | A | 97 | Very high | 93 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.033 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.3 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P442 W450 Q479 V480 T483 | P442-A446 WeakPolarHBondContact O-CB 3.39Å; P442-A446 PolarHBondContact O-N 3.28Å; A446-W450 WeakPolarHBondContact O-CB 3.4Å; A446-W450 PolarHBondContact O-N 3.31Å; A446-Q479 HydrophobicContact CB-CG 4.13Å; A446-V480 HydrophobicContact CB-CG2 4.14Å; A446-T483 HydrophobicContact CB-CG2 4.48Å; A446-T483 WeakPolarHBondContact O-CG2 3.33Å |
| 447 | A | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I411 V412 R415 D443 A444 R445 W450 I451 | I411-A447 HydrophobicContact CG2-CB 4.16Å; V412-A447 HydrophobicContact CG2-CB 4.11Å; R415-A447 HydrophobicContact CB-CB 4.11Å; R415-A447 HydrophobicContact CG-CB 4.41Å; D443-A447 VanDerWaalsContact O-CB 3.27Å; D443-A447 WeakPolarHBondContact O-CB 3.41Å; D443-A447 PolarHBondContact O-N 3.18Å; A444-A447 WeakPolarHBondContact O-CB 3.33Å; A444-A447 PolarHBondContact O-N 3.28Å; R445-A447 VanDerWaalsContact C-N 3.29Å; R445-A447 PolarHBondContact O-N 3.3Å; A447-W450 PolarHBondContact O-N 3.23Å; A447-I451 WeakPolarHBondContact O-CG1 3.47Å; A447-I451 PolarHBondContact O-N 3.46Å |
| 448 | M | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.2 | -48.5 | 178.2 | -176.2 | 62.5 | 79.6 | 0 | 0 | 112.4 | I411 L432 L436 L439 A444 R445 W450 I451 V452 | I411-M448 HydrophobicContact CD1-CE 3.66Å; I411-M448 HydrophobicContact CG1-CE 4.11Å; I411-M448 HydrophobicContact CG2-CB 4.24Å; I411-M448 HydrophobicContact CG2-CE 4.04Å; L432-M448 HydrophobicContact CB-CE 4.01Å; L432-M448 HydrophobicContact CB-SD 4.37Å; L432-M448 VanDerWaalsContact O-CE 3.29Å; L432-M448 WeakPolarHBondContact O-CE 3.48Å; L436-M448 HydrophobicContact CD2-CE 3.96Å; L436-M448 HydrophobicContact CD2-CG 3.32Å; L436-M448 HydrophobicContact CD2-SD 3.97Å; L439-M448 HydrophobicContact CD1-CB 3.63Å; L439-M448 HydrophobicContact CD1-CE 4.05Å; L439-M448 HydrophobicContact CD1-CG 3.81Å; A444-M448 WeakPolarHBondContact O-CB 3.47Å; A444-M448 PolarHBondContact O-N 2.93Å; R445-M448 PolarHBondContact O-N 3.47Å; M448-W450 PolarHBondContact O-N 2.95Å; M448-I451 WeakPolarHBondContact O-CA 3.37Å; M448-I451 WeakPolarHBondContact O-CB 3.17Å; M448-I451 PolarHBondContact O-N 3.47Å; M448-V452 HydrophobicContact CG-CG2 4.46Å; M448-V452 WeakPolarHBondContact O-CG2 3.41Å; M448-V452 PolarHBondContact O-N 3.31Å; M448-V452 HydrophobicContact SD-CG2 4.45Å |
| 449 | I | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.2 | -40.9 | 177.6 | -70.1 | 163.4 | 0 | 0 | 0 | 110.6 | R445 V452 G453 L466 F469 V480 T483 L484 A487 | R445-I449 WeakPolarHBondContact O-CB 3.49Å; R445-I449 WeakPolarHBondContact O-CD1 3.25Å; R445-I449 VanDerWaalsContact O-CG1 3.26Å; R445-I449 WeakPolarHBondContact O-CG1 3.49Å; R445-I449 PolarHBondContact O-N 3.28Å; I449-V452 PolarHBondContact O-N 3.13Å; I449-G453 PolarHBondContact O-N 3.21Å; I449-L466 HydrophobicContact CG2-CD2 4.04Å; I449-F469 HydrophobicContact CD1-CB 4.26Å; I449-F469 HydrophobicContact CD1-CD1 3.66Å; I449-F469 HydrophobicContact CD1-CD2 4.35Å; I449-F469 HydrophobicContact CD1-CE1 4.03Å; I449-F469 HydrophobicContact CD1-CG 3.86Å; I449-F469 HydrophobicContact CG1-CD1 3.97Å; I449-F469 HydrophobicContact CG1-CD2 3.83Å; I449-F469 HydrophobicContact CG1-CE1 4.07Å; I449-F469 HydrophobicContact CG1-CE2 3.97Å; I449-F469 HydrophobicContact CG1-CG 3.86Å; I449-F469 HydrophobicContact CG1-CZ 4.08Å; I449-V480 HydrophobicContact CD1-CG1 3.56Å; I449-T483 HydrophobicContact CB-CG2 4.32Å; I449-T483 HydrophobicContact CG2-CG2 4.02Å; I449-L484 HydrophobicContact CD1-CB 4.44Å; I449-L484 HydrophobicContact CG2-CB 4.1Å; I449-L484 HydrophobicContact CG2-CD1 4.01Å; I449-A487 HydrophobicContact CG2-CB 3.59Å; I449-A487 WeakPolarHBondContact O-CB 3.44Å |
| 450 | W | 95.9 | Very high | 93.1 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 15% | 0.148 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 173.8 | -178.3 | 99 | 0 | 0 | 0 | 111.8 | R415 F418 R419 A446 A447 M448 G453 E454 Y455 T483 K545 | R415-W450 HydrophobicContact CG-CD2 4.13Å; R415-W450 HydrophobicContact CG-CE3 3.6Å; R415-W450 HydrophobicContact CG-CZ3 3.96Å; F418-W450 HydrophobicContact CB-CZ3 4.23Å; R419-W450 HydrophobicContact CG-CH2 3.37Å; R419-W450 HydrophobicContact CG-CZ2 3.49Å; R419-W450 VanDerWaalsContact CG-CZ2 3.49Å; R419-W450 HydrophobicContact CG-CZ3 4.21Å; A446-W450 WeakPolarHBondContact O-CB 3.4Å; A446-W450 PolarHBondContact O-N 3.31Å; A447-W450 PolarHBondContact O-N 3.23Å; M448-W450 PolarHBondContact O-N 2.95Å; W450-G453 PolarHBondContact O-N 3.48Å; W450-E454 HydrophobicContact CD2-CB 4.36Å; W450-E454 HydrophobicContact CE3-CB 4.23Å; W450-E454 HydrophobicContact CH2-CB 4.26Å; W450-E454 HydrophobicContact CH2-CG 3.93Å; W450-E454 HydrophobicContact CZ2-CB 4.42Å; W450-E454 HydrophobicContact CZ2-CG 4.11Å; W450-E454 HydrophobicContact CZ3-CB 4.17Å; W450-E454 HydrophobicContact CZ3-CG 4.29Å; W450-E454 WeakPolarHBondContact O-CB 3.35Å; W450-E454 PolarHBondContact O-N 3.3Å; W450-Y455 HydrophobicContact CZ3-CE2 4.4Å; W450-T483 HydrophobicContact CB-CG2 3.91Å; W450-K545 HydrophobicContact CZ2-CD 4.17Å |
| 451 | I | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 178.3 | -69 | 169.2 | 0 | 0 | 0 | 109.9 | I411 R415 F418 L432 A447 M448 E454 Y455 | I411-I451 HydrophobicContact CG2-CD1 4.48Å; R415-I451 HydrophobicContact CB-CD1 4.11Å; R415-I451 HydrophobicContact CB-CG1 4.26Å; F418-I451 HydrophobicContact CD2-CD1 4.38Å; F418-I451 HydrophobicContact CD2-CG1 4.08Å; F418-I451 HydrophobicContact CD2-CG2 4.2Å; F418-I451 HydrophobicContact CE2-CD1 4.4Å; F418-I451 HydrophobicContact CE2-CG1 4.36Å; F418-I451 HydrophobicContact CE2-CG2 3.82Å; L432-I451 HydrophobicContact CD1-CD1 4.04Å; A447-I451 WeakPolarHBondContact O-CG1 3.47Å; A447-I451 PolarHBondContact O-N 3.46Å; M448-I451 WeakPolarHBondContact O-CA 3.37Å; M448-I451 WeakPolarHBondContact O-CB 3.17Å; M448-I451 PolarHBondContact O-N 3.47Å; I451-E454 PolarHBondContact O-N 3.19Å; I451-Y455 HydrophobicContact CG2-CD2 4.33Å; I451-Y455 PolarHBondContact O-N 2.86Å |
| 452 | V | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -48.4 | -180 | 176.8 | 0 | 0 | 0 | 0 | 111 | M448 I449 E454 Y455 A456 I459 A462 L465 L466 | M448-V452 HydrophobicContact CG-CG2 4.46Å; M448-V452 WeakPolarHBondContact O-CG2 3.41Å; M448-V452 PolarHBondContact O-N 3.31Å; M448-V452 HydrophobicContact SD-CG2 4.45Å; I449-V452 PolarHBondContact O-N 3.13Å; V452-E454 PolarHBondContact O-N 3.04Å; V452-Y455 CarbonylContact O-C 3.58Å; V452-A456 VanDerWaalsContact O-CA 3.25Å; V452-A456 WeakPolarHBondContact O-CA 3.34Å; V452-A456 WeakPolarHBondContact O-CB 3.44Å; V452-A456 PolarHBondContact O-N 3.46Å; V452-I459 HydrophobicContact CB-CD1 4.23Å; V452-I459 HydrophobicContact CG1-CD1 4.19Å; V452-I459 HydrophobicContact CG2-CD1 4.19Å; V452-A462 HydrophobicContact CG1-CB 4.03Å; V452-L465 HydrophobicContact CG1-CB 4.36Å; V452-L465 HydrophobicContact CG2-CD1 4.26Å; V452-L466 HydrophobicContact CB-CD2 4.11Å; V452-L466 HydrophobicContact CG1-CD1 4.38Å; V452-L466 HydrophobicContact CG1-CD2 3.85Å; V452-L466 HydrophobicContact CG1-CG 3.82Å |
| 453 | G | 93.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.2 | -35.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I449 W450 K494 | I449-G453 PolarHBondContact O-N 3.21Å; W450-G453 PolarHBondContact O-N 3.48Å; G453-K494 PolarHBondContact O-NZ 2.93Å; G453-K494 VanDerWaalsContact O-NZ 3.15Å |
| 454 | E | 92.7 | Very high | 92.7 | Very high | 51 Ų | 51 | 39 Ų | 39 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.9 | -36.8 | 179 | -166.6 | 70.7 | 165.8 | 0 | 0 | 112.5 | W450 I451 V452 K490 K494 K545 | W450-E454 HydrophobicContact CD2-CB 4.36Å; W450-E454 HydrophobicContact CE3-CB 4.23Å; W450-E454 HydrophobicContact CH2-CB 4.26Å; W450-E454 HydrophobicContact CH2-CG 3.93Å; W450-E454 HydrophobicContact CZ2-CB 4.42Å; W450-E454 HydrophobicContact CZ2-CG 4.11Å; W450-E454 HydrophobicContact CZ3-CB 4.17Å; W450-E454 HydrophobicContact CZ3-CG 4.29Å; W450-E454 WeakPolarHBondContact O-CB 3.35Å; W450-E454 PolarHBondContact O-N 3.3Å; I451-E454 PolarHBondContact O-N 3.19Å; V452-E454 PolarHBondContact O-N 3.04Å; E454-K490 IonicContact OE2-NZ 3.07Å; E454-K490 PolarHBondContact OE2-NZ 3.42Å; E454-K494 VanDerWaalsContact C-NZ 3.33Å; E454-K494 PolarHBondContact O-NZ 3.37Å; E454-K545 IonicContact OE1-NZ 2.67Å; E454-K545 PolarHBondContact OE1-NZ 2.73Å; E454-K545 IonicContact OE2-NZ 3.94Å; E454-K545 PolarHBondContact OE2-NZ 3.39Å |
| 455 | Y | 92 | Very high | 92.5 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -111.6 | 22.5 | -177 | -65.4 | -84.2 | 0 | 0 | 0 | 113.2 | F418 N423 E426 I429 W450 I451 V452 E457 R458 I459 | F418-Y455 HydrophobicContact CB-CE2 4.11Å; F418-Y455 HydrophobicContact CD2-CD2 4.02Å; F418-Y455 AromaticContact CD2-CE2 3.42Å; F418-Y455 HydrophobicContact CD2-CE2 3.42Å; F418-Y455 VanDerWaalsContact CD2-CE2 3.42Å; F418-Y455 HydrophobicContact CE2-CD2 4.29Å; F418-Y455 HydrophobicContact CE2-CE2 4.06Å; F418-Y455 HydrophobicContact CG-CE2 4.02Å; N423-Y455 PolarHBondContact N-OH 2.95Å; N423-Y455 WeakPolarHBondContact OD1-CE1 3.36Å; E426-Y455 HydrophobicContact CG-CD1 4.35Å; E426-Y455 HydrophobicContact CG-CE1 4.26Å; I429-Y455 HydrophobicContact CD1-CD1 4Å; I429-Y455 HydrophobicContact CD1-CD2 4.2Å; I429-Y455 HydrophobicContact CD1-CG 3.68Å; W450-Y455 HydrophobicContact CZ3-CE2 4.4Å; I451-Y455 HydrophobicContact CG2-CD2 4.33Å; I451-Y455 PolarHBondContact O-N 2.86Å; V452-Y455 CarbonylContact O-C 3.58Å; Y455-E457 PolarHBondContact O-N 2.79Å; Y455-R458 PolarHBondContact O-N 3.11Å; Y455-I459 PolarHBondContact O-N 3.45Å |
| 456 | A | 90.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -25.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | V452 R458 I459 A462 L491 K494 K495 | V452-A456 VanDerWaalsContact O-CA 3.25Å; V452-A456 WeakPolarHBondContact O-CA 3.34Å; V452-A456 WeakPolarHBondContact O-CB 3.44Å; V452-A456 PolarHBondContact O-N 3.46Å; A456-R458 PolarHBondContact O-N 3.34Å; A456-I459 VanDerWaalsContact O-O 3.11Å; A456-A462 HydrophobicContact CB-CB 4.21Å; A456-L491 HydrophobicContact CB-CD1 3.76Å; A456-K494 HydrophobicContact CB-CD 4.12Å; A456-K495 VanDerWaalsContact O-CE 3.29Å; A456-K495 WeakPolarHBondContact O-CE 3.48Å; A456-K495 PolarHBondContact O-NZ 3.4Å |
| 457 | E | 88.4 | Confident | 92.3 | Very high | 119 Ų | 119 | 41.6 Ų | 41.6 | 56% | 0.556 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -17.6 | 175.8 | -69.4 | 175.8 | 176.6 | 0 | 0 | 113.1 | Y455 K494 | Y455-E457 PolarHBondContact O-N 2.79Å; E457-K494 HydrophobicContact CG-CB 4.07Å; E457-K494 HydrophobicContact CG-CD 3.98Å; E457-K494 HydrophobicContact CG-CG 4.1Å |
| 458 | R | 86.8 | Confident | 92.1 | Very high | 162 Ų | 162 | 44.6 Ų | 44.6 | 61% | 0.611 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -6.1 | -178.8 | -59.9 | -50.7 | -173.7 | 82.7 | 10.7 | 113.9 | E426 Y455 A456 | E426-R458 IonicContact OE2-CZ 3.19Å; E426-R458 IonicContact OE2-NE 3.95Å; E426-R458 IonicContact OE2-NH1 2.7Å; E426-R458 PolarHBondContact OE2-NH1 3.35Å; E426-R458 IonicContact OE2-NH2 3.07Å; Y455-R458 PolarHBondContact O-N 3.11Å; A456-R458 PolarHBondContact O-N 3.34Å |
| 459 | I | 88.2 | Confident | 92 | Very high | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.046 | 22% | 0.217 | C | C | . | . | trans | -108 | 110 | 176.8 | -56.3 | 168.9 | 0 | 0 | 0 | 106.1 | I429 V452 Y455 A456 N461 A462 L465 K495 | I429-I459 HydrophobicContact CG2-CD1 3.54Å; I429-I459 HydrophobicContact CG2-CG1 3.56Å; V452-I459 HydrophobicContact CB-CD1 4.23Å; V452-I459 HydrophobicContact CG1-CD1 4.19Å; V452-I459 HydrophobicContact CG2-CD1 4.19Å; Y455-I459 PolarHBondContact O-N 3.45Å; A456-I459 VanDerWaalsContact O-O 3.11Å; I459-N461 WeakPolarHBondContact CG2-OD1 3.43Å; I459-A462 HydrophobicContact CB-CB 3.96Å; I459-A462 HydrophobicContact CG2-CB 3.94Å; I459-A462 WeakPolarHBondContact O-CB 3.33Å; I459-A462 PolarHBondContact O-N 3.4Å; I459-L465 HydrophobicContact CG2-CD1 4.03Å; I459-K495 PolarHBondContact O-NZ 3.4Å | ||
| 460 | D | 86.9 | Confident | 91.9 | Very high | 142 Ų | 142 | 45.1 Ų | 45.1 | 76% | 0.759 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -47.6 | -175 | -69.8 | -27 | 0 | 0 | 0 | 110.6 | A462 K495 | D460-A462 VanDerWaalsContact C-N 3.31Å; D460-A462 PolarHBondContact O-N 3.5Å; D460-K495 PolarHBondContact O-NZ 3.16Å; D460-K495 VanDerWaalsContact O-NZ 3.14Å |
| 461 | N | 89.1 | Confident | 91.8 | Very high | 65 Ų | 65 | 50.8 Ų | 50.8 | 35% | 0.348 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 27.3 | 179.3 | 67.1 | -33.5 | 0 | 0 | 0 | 114.3 | I459 D463 E464 L465 | I459-N461 WeakPolarHBondContact CG2-OD1 3.43Å; N461-D463 WeakPolarHBondContact CA-OD1 3.4Å; N461-D463 PolarHBondContact O-N 3.43Å; N461-E464 HydrophobicContact CB-CB 4.41Å; N461-E464 PolarHBondContact O-N 3.35Å; N461-L465 WeakPolarHBondContact O-CG 3.41Å; N461-L465 PolarHBondContact O-N 3.05Å |
| 462 | A | 91 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.6 | -34.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V452 A456 I459 D460 L466 L491 | V452-A462 HydrophobicContact CG1-CB 4.03Å; A456-A462 HydrophobicContact CB-CB 4.21Å; I459-A462 HydrophobicContact CB-CB 3.96Å; I459-A462 HydrophobicContact CG2-CB 3.94Å; I459-A462 WeakPolarHBondContact O-CB 3.33Å; I459-A462 PolarHBondContact O-N 3.4Å; D460-A462 VanDerWaalsContact C-N 3.31Å; D460-A462 PolarHBondContact O-N 3.5Å; A462-L466 WeakPolarHBondContact O-CG 3.11Å; A462-L466 PolarHBondContact O-N 2.91Å; A462-L491 HydrophobicContact CB-CD1 4Å |
| 463 | D | 92 | Very high | 91.5 | Very high | 40 Ų | 40 | 52 Ų | 52 | 21% | 0.214 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -54.3 | 173.3 | 53.1 | -21.7 | 0 | 0 | 0 | 111.8 | N461 L465 L466 E467 L491 T499 | N461-D463 WeakPolarHBondContact CA-OD1 3.4Å; N461-D463 PolarHBondContact O-N 3.43Å; D463-L465 VanDerWaalsContact C-N 3.27Å; D463-L465 PolarHBondContact O-N 3.11Å; D463-L466 PolarHBondContact O-N 2.89Å; D463-E467 VanDerWaalsContact O-CB 3.29Å; D463-E467 WeakPolarHBondContact O-CB 3.27Å; D463-E467 PolarHBondContact O-N 2.9Å; D463-L491 HydrophobicContact CB-CD2 4.05Å; D463-T499 HydrophobicContact CB-CG2 4.36Å |
| 464 | E | 91.8 | Very high | 91.4 | Very high | 123 Ų | 123 | 56.9 Ų | 56.9 | 58% | 0.575 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -58.2 | -41.5 | 177.4 | -61.8 | 179.7 | 175 | 0 | 0 | 111.3 | N461 E467 S468 | N461-E464 HydrophobicContact CB-CB 4.41Å; N461-E464 PolarHBondContact O-N 3.35Å; E464-E467 PolarHBondContact O-N 3.39Å; E464-S468 PolarHBondContact O-N 2.97Å |
| 465 | L | 92.2 | Very high | 91.3 | Very high | 20 Ų | 20 | 61.8 Ų | 61.8 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -50.1 | 178.1 | -66 | -175.4 | 0 | 0 | 0 | 111.5 | C433 L436 V452 I459 N461 D463 E467 S468 F469 | C433-L465 HydrophobicContact CB-CD1 4.16Å; L436-L465 HydrophobicContact CD1-CD1 4.05Å; L436-L465 HydrophobicContact CD1-CD2 3.32Å; L436-L465 HydrophobicContact CD1-CG 4.17Å; V452-L465 HydrophobicContact CG1-CB 4.36Å; V452-L465 HydrophobicContact CG2-CD1 4.26Å; I459-L465 HydrophobicContact CG2-CD1 4.03Å; N461-L465 WeakPolarHBondContact O-CG 3.41Å; N461-L465 PolarHBondContact O-N 3.05Å; D463-L465 VanDerWaalsContact C-N 3.27Å; D463-L465 PolarHBondContact O-N 3.11Å; L465-E467 VanDerWaalsContact C-N 3.35Å; L465-S468 PolarHBondContact O-N 3.22Å; L465-S468 PolarHBondContact O-OG 3.28Å; L465-F469 WeakPolarHBondContact O-CD2 3.49Å; L465-F469 PolarHBondContact O-N 2.67Å |
| 466 | L | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.6 | -32.1 | -180 | -67.8 | -174.6 | 0 | 0 | 0 | 112.7 | I449 V452 A462 D463 S468 F469 L470 L484 A487 I488 L491 L502 | I449-L466 HydrophobicContact CG2-CD2 4.04Å; V452-L466 HydrophobicContact CB-CD2 4.11Å; V452-L466 HydrophobicContact CG1-CD1 4.38Å; V452-L466 HydrophobicContact CG1-CD2 3.85Å; V452-L466 HydrophobicContact CG1-CG 3.82Å; A462-L466 WeakPolarHBondContact O-CG 3.11Å; A462-L466 PolarHBondContact O-N 2.91Å; D463-L466 PolarHBondContact O-N 2.89Å; L466-S468 VanDerWaalsContact C-N 3.35Å; L466-F469 PolarHBondContact O-N 2.98Å; L466-L470 PolarHBondContact O-N 3.17Å; L466-L484 HydrophobicContact CB-CD1 4.32Å; L466-L484 HydrophobicContact CD2-CD1 3.99Å; L466-A487 HydrophobicContact CD1-CB 4.01Å; L466-A487 HydrophobicContact CD2-CB 4.11Å; L466-I488 HydrophobicContact CB-CG1 4.05Å; L466-I488 HydrophobicContact CD1-CG1 3.95Å; L466-L491 HydrophobicContact CD1-CB 4.1Å; L466-L491 HydrophobicContact CD1-CD2 3.84Å; L466-L502 HydrophobicContact CB-CD2 4.32Å |
| 467 | E | 94.5 | Very high | 91.6 | Very high | 90 Ų | 90 | 64.9 Ų | 64.9 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 173.5 | -172.5 | 170.8 | -158.8 | 0 | 0 | 111.2 | D463 E464 L465 F469 L470 E471 L502 | D463-E467 VanDerWaalsContact O-CB 3.29Å; D463-E467 WeakPolarHBondContact O-CB 3.27Å; D463-E467 PolarHBondContact O-N 2.9Å; E464-E467 PolarHBondContact O-N 3.39Å; L465-E467 VanDerWaalsContact C-N 3.35Å; E467-F469 VanDerWaalsContact C-N 3.26Å; E467-F469 PolarHBondContact O-N 3.47Å; E467-L470 WeakPolarHBondContact O-CA 3.32Å; E467-L470 WeakPolarHBondContact O-CB 3.45Å; E467-L470 PolarHBondContact O-N 3.42Å; E467-E471 PolarHBondContact O-N 2.87Å; E467-L502 HydrophobicContact CB-CD1 3.81Å; E467-L502 HydrophobicContact CG-CD1 4.02Å |
| 468 | S | 92.1 | Very high | 91.9 | Very high | 64 Ų | 64 | 61.8 Ų | 61.8 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.4 | -34.4 | 176.4 | 77.1 | 0 | 0 | 0 | 0 | 113.5 | E464 L465 L466 | E464-S468 PolarHBondContact O-N 2.97Å; L465-S468 PolarHBondContact O-N 3.22Å; L465-S468 PolarHBondContact O-OG 3.28Å; L466-S468 VanDerWaalsContact C-N 3.35Å |
| 469 | F | 93.7 | Very high | 92.3 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74.2 | -29.3 | 172.6 | -73.3 | -78.1 | 0 | 0 | 0 | 112.4 | L436 R445 I449 L465 L466 E467 L484 | L436-F469 HydrophobicContact CD2-CE2 4.06Å; L436-F469 HydrophobicContact CD2-CZ 3.93Å; R445-F469 HydrophobicContact CB-CE1 4.41Å; R445-F469 HydrophobicContact CG-CE1 4.42Å; I449-F469 HydrophobicContact CD1-CB 4.26Å; I449-F469 HydrophobicContact CD1-CD1 3.66Å; I449-F469 HydrophobicContact CD1-CD2 4.35Å; I449-F469 HydrophobicContact CD1-CE1 4.03Å; I449-F469 HydrophobicContact CD1-CG 3.86Å; I449-F469 HydrophobicContact CG1-CD1 3.97Å; I449-F469 HydrophobicContact CG1-CD2 3.83Å; I449-F469 HydrophobicContact CG1-CE1 4.07Å; I449-F469 HydrophobicContact CG1-CE2 3.97Å; I449-F469 HydrophobicContact CG1-CG 3.86Å; I449-F469 HydrophobicContact CG1-CZ 4.08Å; L465-F469 WeakPolarHBondContact O-CD2 3.49Å; L465-F469 PolarHBondContact O-N 2.67Å; L466-F469 PolarHBondContact O-N 2.98Å; E467-F469 VanDerWaalsContact C-N 3.26Å; E467-F469 PolarHBondContact O-N 3.47Å; F469-L484 HydrophobicContact CB-CD1 3.97Å; F469-L484 HydrophobicContact CB-CD2 3.88Å |
| 470 | L | 94.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -75 | -31.9 | -179.3 | -169.1 | 68.3 | 0 | 0 | 0 | 112.7 | L466 E467 G472 F473 L484 I488 L502 Q505 V506 L509 | L466-L470 PolarHBondContact O-N 3.17Å; E467-L470 WeakPolarHBondContact O-CA 3.32Å; E467-L470 WeakPolarHBondContact O-CB 3.45Å; E467-L470 PolarHBondContact O-N 3.42Å; L470-G472 PolarHBondContact O-N 3.41Å; L470-F473 HydrophobicContact CD1-CB 4.2Å; L470-F473 HydrophobicContact CD1-CD2 3.8Å; L470-F473 HydrophobicContact CD1-CE2 4.48Å; L470-F473 HydrophobicContact CD1-CG 4.22Å; L470-F473 WeakPolarHBondContact O-CB 3.32Å; L470-F473 PolarHBondContact O-N 3.18Å; L470-L484 HydrophobicContact CB-CD2 4.35Å; L470-L484 HydrophobicContact CD1-CD2 4.15Å; L470-I488 HydrophobicContact CB-CD1 4.38Å; L470-I488 HydrophobicContact CD1-CD1 3.91Å; L470-I488 HydrophobicContact CD2-CD1 4.05Å; L470-I488 HydrophobicContact CG-CD1 4.36Å; L470-L502 HydrophobicContact CD2-CD1 3.49Å; L470-L502 VanDerWaalsContact CD2-CD1 3.49Å; L470-L502 HydrophobicContact CD2-CG 4.28Å; L470-Q505 HydrophobicContact CD2-CB 4.05Å; L470-Q505 HydrophobicContact CD2-CG 3.85Å; L470-V506 HydrophobicContact CD1-CB 3.78Å; L470-V506 HydrophobicContact CD1-CG2 3.67Å; L470-V506 HydrophobicContact CD2-CB 4.36Å; L470-L509 HydrophobicContact CD1-CD1 3.74Å; L470-L509 HydrophobicContact CG-CD1 4.06Å |
| 471 | E | 92.9 | Very high | 93.2 | Very high | 158 Ų | 158 | 51.9 Ų | 51.9 | 74% | 0.738 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -55.1 | -36.4 | 174.8 | -69.6 | -175.7 | 169.9 | 0 | 0 | 112.1 | E467 | E467-E471 PolarHBondContact O-N 2.87Å |
| 472 | G | 90.2 | Very high | 93.6 | Very high | 24 Ų | 24 | 50 Ų | 50 | 25% | 0.247 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 14.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L470 H474 D475 E476 | L470-G472 PolarHBondContact O-N 3.41Å; G472-H474 VanDerWaalsContact C-N 3.29Å; G472-H474 PolarHBondContact O-N 3.2Å; G472-H474 VanDerWaalsContact O-N 3.08Å; G472-D475 PolarHBondContact O-N 3.04Å; G472-E476 PolarHBondContact O-N 3.34Å |
| 473 | F | 93.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -40.9 | -166.6 | -175.9 | -99 | 0 | 0 | 0 | 115 | L470 D475 E476 Q481 L484 V506 L509 L519 | L470-F473 HydrophobicContact CD1-CB 4.2Å; L470-F473 HydrophobicContact CD1-CD2 3.8Å; L470-F473 HydrophobicContact CD1-CE2 4.48Å; L470-F473 HydrophobicContact CD1-CG 4.22Å; L470-F473 WeakPolarHBondContact O-CB 3.32Å; L470-F473 PolarHBondContact O-N 3.18Å; F473-D475 VanDerWaalsContact C-N 3.34Å; F473-E476 PolarHBondContact O-N 3.05Å; F473-Q481 HydrophobicContact CD2-CB 4.49Å; F473-Q481 HydrophobicContact CD2-CG 4.23Å; F473-Q481 HydrophobicContact CE1-CG 4.34Å; F473-Q481 HydrophobicContact CE2-CB 3.82Å; F473-Q481 HydrophobicContact CE2-CG 3.99Å; F473-Q481 HydrophobicContact CZ-CB 3.91Å; F473-Q481 HydrophobicContact CZ-CG 4.07Å; F473-Q481 WeakPolarHBondContact O-CG 3.3Å; F473-Q481 PolarHBondContact O-NE2 3.32Å; F473-L484 HydrophobicContact CD2-CD2 3.94Å; F473-V506 HydrophobicContact CE2-CG2 4.06Å; F473-L509 HydrophobicContact CB-CD1 4.07Å; F473-L509 HydrophobicContact CD1-CB 3.76Å; F473-L509 HydrophobicContact CD1-CD1 4.18Å; F473-L509 HydrophobicContact CD1-CG 4.41Å; F473-L509 HydrophobicContact CE1-CB 3.76Å; F473-L509 HydrophobicContact CG-CB 4.44Å; F473-L509 HydrophobicContact CG-CD1 4.11Å; F473-L509 HydrophobicContact CZ-CB 4.44Å; F473-L519 HydrophobicContact CE1-CD2 4.03Å; F473-L519 HydrophobicContact CZ-CD1 4.25Å; F473-L519 HydrophobicContact CZ-CD2 3.75Å; F473-L519 HydrophobicContact CZ-CG 4.43Å |
| 474 | H | 91.2 | Very high | 94.1 | Very high | 103 Ų | 103 | 49.4 Ų | 49.4 | 48% | 0.477 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -24.8 | -178.3 | -68.3 | -58.5 | 0 | 0 | 0 | 113.9 | G472 E476 L509 | G472-H474 VanDerWaalsContact C-N 3.29Å; G472-H474 PolarHBondContact O-N 3.2Å; G472-H474 VanDerWaalsContact O-N 3.08Å; H474-E476 VanDerWaalsContact C-N 3.34Å; H474-L509 VanDerWaalsContact NE2-CD2 3.28Å; H474-L509 WeakPolarHBondContact NE2-CD2 3.39Å |
| 475 | D | 91.8 | Very high | 94.4 | Very high | 155 Ų | 155 | 43.6 Ų | 43.6 | 83% | 0.829 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -14.1 | 178.5 | -63.1 | -35.1 | 0 | 0 | 0 | 111.9 | G472 F473 | G472-D475 PolarHBondContact O-N 3.04Å; F473-D475 VanDerWaalsContact C-N 3.34Å |
| 476 | E | 93.9 | Very high | 94.6 | Very high | 31 Ų | 31 | 43.7 Ų | 43.7 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -74.9 | 152 | 179.2 | -70.7 | -64.7 | 175.1 | 0 | 0 | 113.7 | R445 G472 F473 H474 V480 Q481 | R445-E476 IonicContact CZ-OE1 3.15Å; R445-E476 IonicContact NE-OE1 2.69Å; R445-E476 PolarHBondContact NE-OE1 2.87Å; R445-E476 IonicContact NE-OE2 3.28Å; R445-E476 PolarHBondContact NE-OE2 3.02Å; R445-E476 IonicContact NH2-OE1 2.63Å; R445-E476 PolarHBondContact NH2-OE1 2.86Å; G472-E476 PolarHBondContact O-N 3.34Å; F473-E476 PolarHBondContact O-N 3.05Å; H474-E476 VanDerWaalsContact C-N 3.34Å; E476-V480 HydrophobicContact CB-CB 4.1Å; E476-V480 HydrophobicContact CB-CG1 3.92Å; E476-V480 HydrophobicContact CG-CG1 3.83Å; E476-V480 WeakPolarHBondContact OE2-CG1 3.3Å; E476-Q481 HydrophobicContact CB-CG 3.96Å; E476-Q481 PolarHBondContact O-NE2 3.2Å |
| 477 | S | 94.4 | Very high | 94.7 | Very high | 46 Ų | 46 | 43.8 Ų | 43.8 | 32% | 0.322 | 24% | 0.236 | S | C | . | . | trans | -64 | 152.2 | 171.6 | 73 | 0 | 0 | 0 | 0 | 111.6 | P442 Q479 V480 Q481 | P442-S477 WeakPolarHBondContact CB-OG 3.24Å; S477-Q479 PolarHBondContact O-N 3.48Å; S477-Q479 VanDerWaalsContact O-N 3.12Å; S477-V480 WeakPolarHBondContact O-CA 3.35Å; S477-V480 WeakPolarHBondContact O-CB 3.48Å; S477-V480 PolarHBondContact O-N 3.47Å; S477-V480 VanDerWaalsContact OG-CG2 3.32Å; S477-V480 WeakPolarHBondContact OG-CG2 3.49Å; S477-V480 PolarHBondContact OG-N 2.91Å; S477-Q481 WeakPolarHBondContact O-CG 3.27Å; S477-Q481 PolarHBondContact O-N 3.38Å | ||
| 478 | T | 95 | Very high | 94.8 | Very high | 54 Ų | 54 | 39.5 Ų | 39.5 | 33% | 0.331 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -53.3 | -37.3 | 177 | -56.2 | 0 | 0 | 0 | 0 | 112.9 | V480 Q481 L482 N516 | T478-V480 PolarHBondContact O-N 2.82Å; T478-Q481 PolarHBondContact O-N 3.49Å; T478-L482 HydrophobicContact CG2-CD1 3.92Å; T478-L482 HydrophobicContact CG2-CG 4.26Å; T478-L482 VanDerWaalsContact O-CB 3.31Å; T478-L482 WeakPolarHBondContact O-CB 3.42Å; T478-L482 VanDerWaalsContact O-CG 3.25Å; T478-L482 WeakPolarHBondContact O-CG 3.27Å; T478-L482 PolarHBondContact O-N 3.33Å; T478-N516 VanDerWaalsContact CG2-ND2 3.28Å; T478-N516 WeakPolarHBondContact CG2-ND2 3.37Å |
| 479 | Q | 95.4 | Very high | 95 | Very high | 87 Ų | 87 | 36.5 Ų | 36.5 | 41% | 0.407 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 176 | 178.8 | 178.3 | -70.1 | 0 | 0 | 111.8 | D443 A446 S477 T483 | D443-Q479 PolarHBondContact OD1-NE2 2.89Å; A446-Q479 HydrophobicContact CB-CG 4.13Å; S477-Q479 PolarHBondContact O-N 3.48Å; S477-Q479 VanDerWaalsContact O-N 3.12Å; Q479-T483 WeakPolarHBondContact O-CB 3.44Å; Q479-T483 PolarHBondContact O-N 3.06Å; Q479-T483 VanDerWaalsContact O-N 3.08Å; Q479-T483 PolarHBondContact O-OG1 3.19Å |
| 480 | V | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.4 | -46.7 | 178.7 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | P442 R445 A446 I449 E476 S477 T478 L482 T483 L484 | P442-V480 HydrophobicContact CB-CG2 4.01Å; P442-V480 VanDerWaalsContact O-CG2 3.3Å; P442-V480 WeakPolarHBondContact O-CG2 3.38Å; R445-V480 HydrophobicContact CB-CG2 4.08Å; A446-V480 HydrophobicContact CB-CG2 4.14Å; I449-V480 HydrophobicContact CD1-CG1 3.56Å; E476-V480 HydrophobicContact CB-CB 4.1Å; E476-V480 HydrophobicContact CB-CG1 3.92Å; E476-V480 HydrophobicContact CG-CG1 3.83Å; E476-V480 WeakPolarHBondContact OE2-CG1 3.3Å; S477-V480 WeakPolarHBondContact O-CA 3.35Å; S477-V480 WeakPolarHBondContact O-CB 3.48Å; S477-V480 PolarHBondContact O-N 3.47Å; S477-V480 VanDerWaalsContact OG-CG2 3.32Å; S477-V480 WeakPolarHBondContact OG-CG2 3.49Å; S477-V480 PolarHBondContact OG-N 2.91Å; T478-V480 PolarHBondContact O-N 2.82Å; V480-L482 PolarHBondContact O-N 3.26Å; V480-T483 PolarHBondContact O-N 3.48Å; V480-T483 VanDerWaalsContact O-N 3.12Å; V480-L484 VanDerWaalsContact O-CB 3.3Å; V480-L484 WeakPolarHBondContact O-CB 3.37Å; V480-L484 PolarHBondContact O-N 2.95Å |
| 481 | Q | 97.2 | Very high | 95.1 | Very high | 18 Ų | 18 | 36.4 Ų | 36.4 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.5 | -48.5 | 175.9 | -68.4 | 171.7 | -25.6 | 0 | 0 | 112.5 | F473 E476 S477 T478 T483 L484 L485 L519 | F473-Q481 HydrophobicContact CD2-CB 4.49Å; F473-Q481 HydrophobicContact CD2-CG 4.23Å; F473-Q481 HydrophobicContact CE1-CG 4.34Å; F473-Q481 HydrophobicContact CE2-CB 3.82Å; F473-Q481 HydrophobicContact CE2-CG 3.99Å; F473-Q481 HydrophobicContact CZ-CB 3.91Å; F473-Q481 HydrophobicContact CZ-CG 4.07Å; F473-Q481 WeakPolarHBondContact O-CG 3.3Å; F473-Q481 PolarHBondContact O-NE2 3.32Å; E476-Q481 HydrophobicContact CB-CG 3.96Å; E476-Q481 PolarHBondContact O-NE2 3.2Å; S477-Q481 WeakPolarHBondContact O-CG 3.27Å; S477-Q481 PolarHBondContact O-N 3.38Å; T478-Q481 PolarHBondContact O-N 3.49Å; Q481-T483 VanDerWaalsContact C-N 3.29Å; Q481-T483 PolarHBondContact O-N 2.68Å; Q481-L484 PolarHBondContact O-N 3.43Å; Q481-L485 WeakPolarHBondContact O-CB 3.32Å; Q481-L485 PolarHBondContact O-N 3.34Å; Q481-L519 HydrophobicContact CB-CD1 4.2Å; Q481-L519 HydrophobicContact CB-CD2 3.79Å; Q481-L519 HydrophobicContact CG-CD2 4.35Å |
| 482 | L | 96.4 | Very high | 95.1 | Very high | 24 Ų | 24 | 30.8 Ų | 30.8 | 13% | 0.126 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 177.7 | -78.2 | 171.3 | 0 | 0 | 0 | 112 | T478 V480 T486 L519 R522 | T478-L482 HydrophobicContact CG2-CD1 3.92Å; T478-L482 HydrophobicContact CG2-CG 4.26Å; T478-L482 VanDerWaalsContact O-CB 3.31Å; T478-L482 WeakPolarHBondContact O-CB 3.42Å; T478-L482 VanDerWaalsContact O-CG 3.25Å; T478-L482 WeakPolarHBondContact O-CG 3.27Å; T478-L482 PolarHBondContact O-N 3.33Å; V480-L482 PolarHBondContact O-N 3.26Å; L482-T486 PolarHBondContact O-N 3.36Å; L482-T486 PolarHBondContact O-OG1 2.85Å; L482-L519 HydrophobicContact CD2-CB 4.19Å; L482-L519 HydrophobicContact CD2-CD1 3.82Å; L482-L519 HydrophobicContact CG-CD1 4.22Å; L482-R522 HydrophobicContact CD2-CB 4.33Å |
| 483 | T | 97.1 | Very high | 95.2 | Very high | 29 Ų | 29 | 30.7 Ų | 30.7 | 18% | 0.178 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.8 | -39 | 180 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | A446 I449 W450 Q479 V480 Q481 T486 A487 | A446-T483 HydrophobicContact CB-CG2 4.48Å; A446-T483 WeakPolarHBondContact O-CG2 3.33Å; I449-T483 HydrophobicContact CB-CG2 4.32Å; I449-T483 HydrophobicContact CG2-CG2 4.02Å; W450-T483 HydrophobicContact CB-CG2 3.91Å; Q479-T483 WeakPolarHBondContact O-CB 3.44Å; Q479-T483 PolarHBondContact O-N 3.06Å; Q479-T483 VanDerWaalsContact O-N 3.08Å; Q479-T483 PolarHBondContact O-OG1 3.19Å; V480-T483 PolarHBondContact O-N 3.48Å; V480-T483 VanDerWaalsContact O-N 3.12Å; Q481-T483 VanDerWaalsContact C-N 3.29Å; Q481-T483 PolarHBondContact O-N 2.68Å; T483-T486 PolarHBondContact O-N 3.05Å; T483-A487 VanDerWaalsContact O-CB 3.29Å; T483-A487 WeakPolarHBondContact O-CB 3.49Å; T483-A487 PolarHBondContact O-N 2.61Å |
| 484 | L | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.7 | -44.9 | 176.4 | -176.7 | 56.2 | 0 | 0 | 0 | 112.2 | I449 L466 F469 L470 F473 V480 Q481 T486 A487 I488 | I449-L484 HydrophobicContact CD1-CB 4.44Å; I449-L484 HydrophobicContact CG2-CB 4.1Å; I449-L484 HydrophobicContact CG2-CD1 4.01Å; L466-L484 HydrophobicContact CB-CD1 4.32Å; L466-L484 HydrophobicContact CD2-CD1 3.99Å; F469-L484 HydrophobicContact CB-CD1 3.97Å; F469-L484 HydrophobicContact CB-CD2 3.88Å; L470-L484 HydrophobicContact CB-CD2 4.35Å; L470-L484 HydrophobicContact CD1-CD2 4.15Å; F473-L484 HydrophobicContact CD2-CD2 3.94Å; V480-L484 VanDerWaalsContact O-CB 3.3Å; V480-L484 WeakPolarHBondContact O-CB 3.37Å; V480-L484 PolarHBondContact O-N 2.95Å; Q481-L484 PolarHBondContact O-N 3.43Å; L484-T486 VanDerWaalsContact C-N 3.33Å; L484-T486 PolarHBondContact O-N 2.9Å; L484-A487 PolarHBondContact O-N 3.31Å; L484-A487 VanDerWaalsContact O-N 3.17Å; L484-I488 HydrophobicContact CD1-CD1 3.73Å; L484-I488 HydrophobicContact CD1-CG1 4.02Å; L484-I488 HydrophobicContact CG-CD1 3.89Å; L484-I488 WeakPolarHBondContact O-CG1 3.45Å; L484-I488 PolarHBondContact O-N 2.72Å |
| 485 | L | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.1 | -50.8 | 172.2 | 172.4 | 61.7 | 0 | 0 | 0 | 110.9 | Q481 A487 V489 V506 L507 A510 L519 R522 Y526 | Q481-L485 WeakPolarHBondContact O-CB 3.32Å; Q481-L485 PolarHBondContact O-N 3.34Å; L485-A487 PolarHBondContact O-N 3.49Å; L485-V489 HydrophobicContact CD1-CG2 4.3Å; L485-V489 VanDerWaalsContact O-CG2 3.28Å; L485-V489 WeakPolarHBondContact O-CG2 2.97Å; L485-V489 PolarHBondContact O-N 3.14Å; L485-V489 VanDerWaalsContact O-N 3.09Å; L485-V506 HydrophobicContact CB-CG2 4.19Å; L485-V506 HydrophobicContact CD1-CG1 3.95Å; L485-V506 HydrophobicContact CD1-CG2 3.96Å; L485-L507 HydrophobicContact CD1-CD2 3.99Å; L485-A510 HydrophobicContact CD1-CB 4.4Å; L485-A510 HydrophobicContact CD2-CB 4.18Å; L485-L519 HydrophobicContact CB-CD1 4.39Å; L485-L519 HydrophobicContact CD2-CD1 3.89Å; L485-R522 HydrophobicContact CD2-CB 4.08Å; L485-R522 HydrophobicContact CD2-CG 3.93Å; L485-Y526 HydrophobicContact CD1-CD2 4.09Å; L485-Y526 HydrophobicContact CD2-CD2 4.04Å; L485-Y526 HydrophobicContact CD2-CE2 4.26Å; L485-Y526 HydrophobicContact CG-CD2 3.8Å; L485-Y526 HydrophobicContact CG-CE2 3.95Å |
| 486 | T | 96.3 | Very high | 94.7 | Very high | 23 Ų | 23 | 25.2 Ų | 25.2 | 14% | 0.141 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 177.9 | -63.8 | 0 | 0 | 0 | 0 | 112 | L482 T483 L484 V489 K490 Y526 | L482-T486 PolarHBondContact O-N 3.36Å; L482-T486 PolarHBondContact O-OG1 2.85Å; T483-T486 PolarHBondContact O-N 3.05Å; L484-T486 VanDerWaalsContact C-N 3.33Å; L484-T486 PolarHBondContact O-N 2.9Å; T486-V489 PolarHBondContact O-N 3.38Å; T486-K490 HydrophobicContact CG2-CD 4.27Å; T486-K490 VanDerWaalsContact O-CG 3.27Å; T486-K490 WeakPolarHBondContact O-CG 3.34Å; T486-K490 PolarHBondContact O-N 3.14Å; T486-Y526 WeakPolarHBondContact CG2-OH 3.49Å; T486-Y526 PolarHBondContact OG1-OH 3.03Å |
| 487 | A | 96.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.2 | -42.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I449 L466 T483 L484 L485 K490 L491 | I449-A487 HydrophobicContact CG2-CB 3.59Å; I449-A487 WeakPolarHBondContact O-CB 3.44Å; L466-A487 HydrophobicContact CD1-CB 4.01Å; L466-A487 HydrophobicContact CD2-CB 4.11Å; T483-A487 VanDerWaalsContact O-CB 3.29Å; T483-A487 WeakPolarHBondContact O-CB 3.49Å; T483-A487 PolarHBondContact O-N 2.61Å; L484-A487 PolarHBondContact O-N 3.31Å; L484-A487 VanDerWaalsContact O-N 3.17Å; L485-A487 PolarHBondContact O-N 3.49Å; A487-K490 WeakPolarHBondContact O-CB 3.23Å; A487-K490 PolarHBondContact O-N 2.84Å; A487-L491 WeakPolarHBondContact O-CB 3.42Å; A487-L491 PolarHBondContact O-N 3.29Å |
| 488 | I | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | 177.1 | -69.2 | 169.8 | 0 | 0 | 0 | 110.9 | L466 L470 L484 K490 L491 F492 L502 V503 V506 | L466-I488 HydrophobicContact CB-CG1 4.05Å; L466-I488 HydrophobicContact CD1-CG1 3.95Å; L470-I488 HydrophobicContact CB-CD1 4.38Å; L470-I488 HydrophobicContact CD1-CD1 3.91Å; L470-I488 HydrophobicContact CD2-CD1 4.05Å; L470-I488 HydrophobicContact CG-CD1 4.36Å; L484-I488 HydrophobicContact CD1-CD1 3.73Å; L484-I488 HydrophobicContact CD1-CG1 4.02Å; L484-I488 HydrophobicContact CG-CD1 3.89Å; L484-I488 WeakPolarHBondContact O-CG1 3.45Å; L484-I488 PolarHBondContact O-N 2.72Å; I488-K490 VanDerWaalsContact C-N 3.29Å; I488-K490 PolarHBondContact O-N 3.29Å; I488-L491 WeakPolarHBondContact O-CB 3.34Å; I488-L491 PolarHBondContact O-N 3.08Å; I488-F492 PolarHBondContact O-N 2.94Å; I488-L502 HydrophobicContact CD1-CD1 4.46Å; I488-L502 HydrophobicContact CD1-CD2 4.35Å; I488-L502 HydrophobicContact CD1-CG 4.1Å; I488-L502 HydrophobicContact CG1-CD2 4.04Å; I488-L502 HydrophobicContact CG1-CG 4.25Å; I488-L502 HydrophobicContact CG2-CB 4.4Å; I488-L502 HydrophobicContact CG2-CD2 4.07Å; I488-L502 HydrophobicContact CG2-CG 3.88Å; I488-V503 HydrophobicContact CG2-CB 4.25Å; I488-V506 HydrophobicContact CB-CG1 4.02Å; I488-V506 HydrophobicContact CD1-CB 3.87Å; I488-V506 HydrophobicContact CD1-CG1 4.2Å; I488-V506 HydrophobicContact CD1-CG2 3.96Å; I488-V506 HydrophobicContact CG2-CB 4.42Å; I488-V506 HydrophobicContact CG2-CG1 3.64Å |
| 489 | V | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.4 | -38.6 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | L485 T486 F492 L493 V503 Y526 L530 V541 | L485-V489 HydrophobicContact CD1-CG2 4.3Å; L485-V489 VanDerWaalsContact O-CG2 3.28Å; L485-V489 WeakPolarHBondContact O-CG2 2.97Å; L485-V489 PolarHBondContact O-N 3.14Å; L485-V489 VanDerWaalsContact O-N 3.09Å; T486-V489 PolarHBondContact O-N 3.38Å; V489-F492 PolarHBondContact O-N 3.39Å; V489-L493 HydrophobicContact CG1-CD1 4.06Å; V489-L493 VanDerWaalsContact O-CG 3.32Å; V489-L493 WeakPolarHBondContact O-CG 3.49Å; V489-L493 PolarHBondContact O-N 2.99Å; V489-V503 HydrophobicContact CG2-CG2 4.27Å; V489-Y526 HydrophobicContact CB-CD2 4.41Å; V489-Y526 HydrophobicContact CB-CG 4.47Å; V489-Y526 HydrophobicContact CG1-CD1 4.12Å; V489-Y526 HydrophobicContact CG1-CG 4.17Å; V489-Y526 HydrophobicContact CG2-CD2 3.79Å; V489-Y526 HydrophobicContact CG2-CE2 4.37Å; V489-Y526 HydrophobicContact CG2-CG 3.94Å; V489-L530 HydrophobicContact CG1-CD1 4.24Å; V489-L530 HydrophobicContact CG2-CD1 4.46Å; V489-V541 HydrophobicContact CG1-CG1 4.19Å; V489-V541 HydrophobicContact CG1-CG2 4.31Å |
| 490 | K | 94.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 31 Ų | 31 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 173 | -75 | 177.8 | 173.8 | -173.3 | 0 | 112.4 | E454 T486 A487 I488 F492 L493 K494 V541 L542 | E454-K490 IonicContact OE2-NZ 3.07Å; E454-K490 PolarHBondContact OE2-NZ 3.42Å; T486-K490 HydrophobicContact CG2-CD 4.27Å; T486-K490 VanDerWaalsContact O-CG 3.27Å; T486-K490 WeakPolarHBondContact O-CG 3.34Å; T486-K490 PolarHBondContact O-N 3.14Å; A487-K490 WeakPolarHBondContact O-CB 3.23Å; A487-K490 PolarHBondContact O-N 2.84Å; I488-K490 VanDerWaalsContact C-N 3.29Å; I488-K490 PolarHBondContact O-N 3.29Å; K490-F492 VanDerWaalsContact C-N 3.28Å; K490-F492 PolarHBondContact O-N 2.92Å; K490-L493 PolarHBondContact O-N 3.2Å; K490-K494 WeakPolarHBondContact O-CD 3.41Å; K490-K494 VanDerWaalsContact O-CG 3.31Å; K490-K494 WeakPolarHBondContact O-CG 3.42Å; K490-K494 PolarHBondContact O-N 2.91Å; K490-K494 VanDerWaalsContact O-N 3.13Å; K490-V541 WeakPolarHBondContact CE-O 3.39Å; K490-V541 HydrophobicContact CG-CG1 3.63Å; K490-L542 HydrophobicContact CB-CD2 4.14Å; K490-L542 HydrophobicContact CD-CD2 4.41Å; K490-L542 HydrophobicContact CG-CD2 3.77Å |
| 491 | L | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.6 | -44.5 | 176.1 | 174.6 | 63.4 | 0 | 0 | 0 | 110.2 | A456 A462 D463 L466 A487 I488 K494 K495 T499 L502 | A456-L491 HydrophobicContact CB-CD1 3.76Å; A462-L491 HydrophobicContact CB-CD1 4Å; D463-L491 HydrophobicContact CB-CD2 4.05Å; L466-L491 HydrophobicContact CD1-CB 4.1Å; L466-L491 HydrophobicContact CD1-CD2 3.84Å; A487-L491 WeakPolarHBondContact O-CB 3.42Å; A487-L491 PolarHBondContact O-N 3.29Å; I488-L491 WeakPolarHBondContact O-CB 3.34Å; I488-L491 PolarHBondContact O-N 3.08Å; L491-K494 PolarHBondContact O-N 3.39Å; L491-K495 HydrophobicContact CD1-CB 4.4Å; L491-K495 HydrophobicContact CD1-CD 4.11Å; L491-K495 HydrophobicContact CD1-CG 4.46Å; L491-K495 PolarHBondContact O-N 3.2Å; L491-T499 HydrophobicContact CD1-CG2 4.15Å; L491-T499 HydrophobicContact CD2-CG2 3.77Å; L491-T499 HydrophobicContact CG-CG2 3.61Å; L491-L502 HydrophobicContact CD2-CD2 3.93Å |
| 492 | F | 94.3 | Very high | 92.4 | Very high | 40 Ų | 40 | 38.7 Ų | 38.7 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 176.2 | 178.9 | -106.7 | 0 | 0 | 0 | 113.8 | I488 V489 K490 K494 K495 P496 T499 Q500 V503 L530 | I488-F492 PolarHBondContact O-N 2.94Å; V489-F492 PolarHBondContact O-N 3.39Å; K490-F492 VanDerWaalsContact C-N 3.28Å; K490-F492 PolarHBondContact O-N 2.92Å; F492-K494 PolarHBondContact O-N 3.12Å; F492-K495 CarbonylContact O-C 3.59Å; F492-P496 HydrophobicContact CE2-CB 4.21Å; F492-P496 VanDerWaalsContact O-CA 3.25Å; F492-P496 WeakPolarHBondContact O-CA 3.31Å; F492-P496 WeakPolarHBondContact O-CB 3.5Å; F492-T499 VanDerWaalsContact CA-OG1 3.29Å; F492-T499 WeakPolarHBondContact CA-OG1 3.5Å; F492-T499 WeakPolarHBondContact CD2-OG1 3.43Å; F492-Q500 HydrophobicContact CE2-CG 3.81Å; F492-V503 HydrophobicContact CB-CB 4.03Å; F492-V503 HydrophobicContact CB-CG1 4.39Å; F492-V503 HydrophobicContact CB-CG2 4.08Å; F492-V503 HydrophobicContact CD1-CG1 4.3Å; F492-V503 HydrophobicContact CD1-CG2 4.32Å; F492-V503 HydrophobicContact CD2-CB 4.22Å; F492-V503 HydrophobicContact CD2-CG1 3.68Å; F492-V503 HydrophobicContact CE2-CG1 4.02Å; F492-V503 HydrophobicContact CG-CB 4.03Å; F492-V503 HydrophobicContact CG-CG1 3.85Å; F492-V503 HydrophobicContact CG-CG2 4.13Å; F492-V503 HydrophobicContact CZ-CG1 4.45Å; F492-L530 HydrophobicContact CD1-CD1 4.25Å; F492-L530 HydrophobicContact CD1-CD2 3.92Å; F492-L530 HydrophobicContact CE1-CD2 4.02Å |
| 493 | L | 92.1 | Very high | 92.2 | Very high | 21 Ų | 21 | 37.9 Ų | 37.9 | 11% | 0.11 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.9 | -19 | 177.7 | -70.7 | 167.9 | 0 | 0 | 0 | 113.5 | V489 K490 L530 A537 K538 V541 L542 | V489-L493 HydrophobicContact CG1-CD1 4.06Å; V489-L493 VanDerWaalsContact O-CG 3.32Å; V489-L493 WeakPolarHBondContact O-CG 3.49Å; V489-L493 PolarHBondContact O-N 2.99Å; K490-L493 PolarHBondContact O-N 3.2Å; L493-L530 HydrophobicContact CD2-CD2 3.69Å; L493-L530 HydrophobicContact CG-CD2 4.17Å; L493-A537 HydrophobicContact CD2-CB 4.19Å; L493-K538 HydrophobicContact CD2-CB 4.37Å; L493-V541 HydrophobicContact CD1-CB 3.64Å; L493-V541 HydrophobicContact CD1-CG1 3.9Å; L493-V541 HydrophobicContact CD1-CG2 4.04Å; L493-L542 HydrophobicContact CB-CD1 4.35Å |
| 494 | K | 91.1 | Very high | 92 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 17% | 0.17 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -97.2 | -42.3 | 178.7 | -70.8 | 167.9 | 166.8 | -179.4 | 0 | 112.8 | G453 E454 A456 E457 K490 L491 F492 L542 | G453-K494 PolarHBondContact O-NZ 2.93Å; G453-K494 VanDerWaalsContact O-NZ 3.15Å; E454-K494 VanDerWaalsContact C-NZ 3.33Å; E454-K494 PolarHBondContact O-NZ 3.37Å; A456-K494 HydrophobicContact CB-CD 4.12Å; E457-K494 HydrophobicContact CG-CB 4.07Å; E457-K494 HydrophobicContact CG-CD 3.98Å; E457-K494 HydrophobicContact CG-CG 4.1Å; K490-K494 WeakPolarHBondContact O-CD 3.41Å; K490-K494 VanDerWaalsContact O-CG 3.31Å; K490-K494 WeakPolarHBondContact O-CG 3.42Å; K490-K494 PolarHBondContact O-N 2.91Å; K490-K494 VanDerWaalsContact O-N 3.13Å; L491-K494 PolarHBondContact O-N 3.39Å; F492-K494 PolarHBondContact O-N 3.12Å; K494-L542 HydrophobicContact CG-CD1 4.21Å |
| 495 | K | 89.1 | Confident | 91.9 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 16% | 0.161 | 24% | 0.237 | C | C | . | . | trans | -126 | 67.6 | -178.1 | -64.6 | -173.7 | -179 | 177.4 | 0 | 111.3 | A456 I459 D460 L491 F492 S497 T499 | A456-K495 VanDerWaalsContact O-CE 3.29Å; A456-K495 WeakPolarHBondContact O-CE 3.48Å; A456-K495 PolarHBondContact O-NZ 3.4Å; I459-K495 PolarHBondContact O-NZ 3.4Å; D460-K495 PolarHBondContact O-NZ 3.16Å; D460-K495 VanDerWaalsContact O-NZ 3.14Å; L491-K495 HydrophobicContact CD1-CB 4.4Å; L491-K495 HydrophobicContact CD1-CD 4.11Å; L491-K495 HydrophobicContact CD1-CG 4.46Å; L491-K495 PolarHBondContact O-N 3.2Å; F492-K495 CarbonylContact O-C 3.59Å; K495-S497 VanDerWaalsContact C-N 3.29Å; K495-S497 PolarHBondContact O-N 3.47Å; K495-T499 HydrophobicContact CB-CG2 4.39Å; K495-T499 PolarHBondContact O-OG1 2.88Å | ||
| 496 | P | 84.9 | Confident | 91.8 | Very high | 69 Ų | 69 | 46.7 Ų | 46.7 | 45% | 0.448 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -21.2 | -170.4 | 26 | -35.4 | 0 | 0 | 0 | 115 | F492 Q500 | F492-P496 HydrophobicContact CE2-CB 4.21Å; F492-P496 VanDerWaalsContact O-CA 3.25Å; F492-P496 WeakPolarHBondContact O-CA 3.31Å; F492-P496 WeakPolarHBondContact O-CB 3.5Å; P496-Q500 WeakPolarHBondContact O-CG 3.35Å |
| 497 | S | 84 | Confident | 91.8 | Very high | 100 Ų | 100 | 46.3 Ų | 46.3 | 70% | 0.699 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -30 | -177.2 | 43.7 | 0 | 0 | 0 | 0 | 113.9 | K495 | K495-S497 VanDerWaalsContact C-N 3.29Å; K495-S497 PolarHBondContact O-N 3.47Å |
| 498 | E | 79.8 | Confident | 91.7 | Very high | 128 Ų | 128 | 48 Ų | 48 | 60% | 0.598 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -10.9 | -169.3 | -69.9 | 163.1 | -172.6 | 0 | 0 | 112.6 | ||
| 499 | T | 87.8 | Confident | 91.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -123.8 | 14.4 | -162 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | D463 L491 F492 K495 L502 V503 | D463-T499 HydrophobicContact CB-CG2 4.36Å; L491-T499 HydrophobicContact CD1-CG2 4.15Å; L491-T499 HydrophobicContact CD2-CG2 3.77Å; L491-T499 HydrophobicContact CG-CG2 3.61Å; F492-T499 VanDerWaalsContact CA-OG1 3.29Å; F492-T499 WeakPolarHBondContact CA-OG1 3.5Å; F492-T499 WeakPolarHBondContact CD2-OG1 3.43Å; K495-T499 HydrophobicContact CB-CG2 4.39Å; K495-T499 PolarHBondContact O-OG1 2.88Å; T499-L502 PolarHBondContact O-N 3.32Å; T499-V503 PolarHBondContact O-N 2.85Å | ||
| 500 | Q | 87.8 | Confident | 91.5 | Very high | 112 Ų | 112 | 49 Ų | 49 | 52% | 0.523 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 179.6 | -79 | -174 | -3.4 | 0 | 0 | 112.9 | F492 P496 V503 Q504 | F492-Q500 HydrophobicContact CE2-CG 3.81Å; P496-Q500 WeakPolarHBondContact O-CG 3.35Å; Q500-V503 WeakPolarHBondContact O-CG1 3.31Å; Q500-Q504 VanDerWaalsContact O-CG 3.26Å; Q500-Q504 WeakPolarHBondContact O-CG 3.26Å; Q500-Q504 PolarHBondContact O-N 3.43Å |
| 501 | E | 91.4 | Very high | 91.5 | Very high | 166 Ų | 166 | 49.2 Ų | 49.2 | 78% | 0.776 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -67.8 | -46.2 | 179.4 | -64.4 | -173.6 | 172.9 | 0 | 0 | 110.4 | V503 Q504 Q505 | E501-V503 PolarHBondContact O-N 2.99Å; E501-Q504 PolarHBondContact O-N 3.18Å; E501-Q505 WeakPolarHBondContact O-CB 3.5Å; E501-Q505 PolarHBondContact O-N 2.94Å |
| 502 | L | 93.1 | Very high | 91.3 | Very high | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -43.8 | -179.7 | -164.7 | 70.3 | 0 | 0 | 0 | 112.6 | L466 E467 L470 I488 L491 T499 Q505 V506 | L466-L502 HydrophobicContact CB-CD2 4.32Å; E467-L502 HydrophobicContact CB-CD1 3.81Å; E467-L502 HydrophobicContact CG-CD1 4.02Å; L470-L502 HydrophobicContact CD2-CD1 3.49Å; L470-L502 VanDerWaalsContact CD2-CD1 3.49Å; L470-L502 HydrophobicContact CD2-CG 4.28Å; I488-L502 HydrophobicContact CD1-CD1 4.46Å; I488-L502 HydrophobicContact CD1-CD2 4.35Å; I488-L502 HydrophobicContact CD1-CG 4.1Å; I488-L502 HydrophobicContact CG1-CD2 4.04Å; I488-L502 HydrophobicContact CG1-CG 4.25Å; I488-L502 HydrophobicContact CG2-CB 4.4Å; I488-L502 HydrophobicContact CG2-CD2 4.07Å; I488-L502 HydrophobicContact CG2-CG 3.88Å; L491-L502 HydrophobicContact CD2-CD2 3.93Å; T499-L502 PolarHBondContact O-N 3.32Å; L502-Q505 PolarHBondContact O-N 2.77Å; L502-V506 PolarHBondContact O-N 2.88Å |
| 503 | V | 93.4 | Very high | 91.1 | Very high | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69 | -35.8 | 178.1 | 75.3 | 0 | 0 | 0 | 0 | 112.1 | I488 V489 F492 T499 Q500 E501 V506 L507 L530 | I488-V503 HydrophobicContact CG2-CB 4.25Å; V489-V503 HydrophobicContact CG2-CG2 4.27Å; F492-V503 HydrophobicContact CB-CB 4.03Å; F492-V503 HydrophobicContact CB-CG1 4.39Å; F492-V503 HydrophobicContact CB-CG2 4.08Å; F492-V503 HydrophobicContact CD1-CG1 4.3Å; F492-V503 HydrophobicContact CD1-CG2 4.32Å; F492-V503 HydrophobicContact CD2-CB 4.22Å; F492-V503 HydrophobicContact CD2-CG1 3.68Å; F492-V503 HydrophobicContact CE2-CG1 4.02Å; F492-V503 HydrophobicContact CG-CB 4.03Å; F492-V503 HydrophobicContact CG-CG1 3.85Å; F492-V503 HydrophobicContact CG-CG2 4.13Å; F492-V503 HydrophobicContact CZ-CG1 4.45Å; T499-V503 PolarHBondContact O-N 2.85Å; Q500-V503 WeakPolarHBondContact O-CG1 3.31Å; E501-V503 PolarHBondContact O-N 2.99Å; V503-V506 WeakPolarHBondContact O-CG1 3.33Å; V503-L507 HydrophobicContact CG2-CD1 4.08Å; V503-L507 HydrophobicContact CG2-CG 4.47Å; V503-L507 WeakPolarHBondContact O-CB 3.47Å; V503-L507 WeakPolarHBondContact O-CD1 3.41Å; V503-L507 WeakPolarHBondContact O-CG 3.44Å; V503-L507 PolarHBondContact O-N 3.44Å; V503-L507 VanDerWaalsContact O-N 3.15Å; V503-L530 HydrophobicContact CG2-CD1 3.97Å |
| 504 | Q | 92.9 | Very high | 91 | Very high | 129 Ų | 129 | 57.5 Ų | 57.5 | 60% | 0.603 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67 | -42.3 | 175.6 | -73.8 | 176.6 | 26.1 | 0 | 0 | 111.1 | Q500 E501 L507 S508 | Q500-Q504 VanDerWaalsContact O-CG 3.26Å; Q500-Q504 WeakPolarHBondContact O-CG 3.26Å; Q500-Q504 PolarHBondContact O-N 3.43Å; E501-Q504 PolarHBondContact O-N 3.18Å; Q504-L507 PolarHBondContact O-N 2.91Å; Q504-S508 WeakPolarHBondContact O-CB 3.49Å; Q504-S508 PolarHBondContact O-N 3.02Å |
| 505 | Q | 95.6 | Very high | 90.9 | Very high | 85 Ų | 85 | 63.4 Ų | 63.4 | 40% | 0.397 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62 | -52.5 | 178.8 | -172.5 | 179.7 | 3.8 | 0 | 0 | 111.3 | L470 E501 L502 L507 S508 L509 | L470-Q505 HydrophobicContact CD2-CB 4.05Å; L470-Q505 HydrophobicContact CD2-CG 3.85Å; E501-Q505 WeakPolarHBondContact O-CB 3.5Å; E501-Q505 PolarHBondContact O-N 2.94Å; L502-Q505 PolarHBondContact O-N 2.77Å; Q505-L507 VanDerWaalsContact C-N 3.3Å; Q505-L507 PolarHBondContact O-N 3.33Å; Q505-S508 WeakPolarHBondContact O-CB 3.42Å; Q505-S508 PolarHBondContact O-N 3.46Å; Q505-S508 VanDerWaalsContact O-N 3.16Å; Q505-L509 HydrophobicContact CG-CD1 3.96Å; Q505-L509 VanDerWaalsContact O-CG 3.28Å; Q505-L509 WeakPolarHBondContact O-CG 3.5Å; Q505-L509 PolarHBondContact O-N 2.98Å |
| 506 | V | 96 | Very high | 91.1 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.2 | -34.2 | -179.5 | 75.4 | 0 | 0 | 0 | 0 | 112.6 | L470 F473 L485 I488 L502 V503 A510 | L470-V506 HydrophobicContact CD1-CB 3.78Å; L470-V506 HydrophobicContact CD1-CG2 3.67Å; L470-V506 HydrophobicContact CD2-CB 4.36Å; F473-V506 HydrophobicContact CE2-CG2 4.06Å; L485-V506 HydrophobicContact CB-CG2 4.19Å; L485-V506 HydrophobicContact CD1-CG1 3.95Å; L485-V506 HydrophobicContact CD1-CG2 3.96Å; I488-V506 HydrophobicContact CB-CG1 4.02Å; I488-V506 HydrophobicContact CD1-CB 3.87Å; I488-V506 HydrophobicContact CD1-CG1 4.2Å; I488-V506 HydrophobicContact CD1-CG2 3.96Å; I488-V506 HydrophobicContact CG2-CB 4.42Å; I488-V506 HydrophobicContact CG2-CG1 3.64Å; L502-V506 PolarHBondContact O-N 2.88Å; V503-V506 WeakPolarHBondContact O-CG1 3.33Å; V506-A510 WeakPolarHBondContact O-CB 3.29Å; V506-A510 PolarHBondContact O-N 3.28Å |
| 507 | L | 95.1 | Very high | 91.5 | Very high | 15 Ų | 15 | 64.2 Ų | 64.2 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.1 | -37.8 | 175.6 | -71.9 | 173.7 | 0 | 0 | 0 | 111.8 | L485 V503 Q504 Q505 T511 G523 W527 L530 | L485-L507 HydrophobicContact CD1-CD2 3.99Å; V503-L507 HydrophobicContact CG2-CD1 4.08Å; V503-L507 HydrophobicContact CG2-CG 4.47Å; V503-L507 WeakPolarHBondContact O-CB 3.47Å; V503-L507 WeakPolarHBondContact O-CD1 3.41Å; V503-L507 WeakPolarHBondContact O-CG 3.44Å; V503-L507 PolarHBondContact O-N 3.44Å; V503-L507 VanDerWaalsContact O-N 3.15Å; Q504-L507 PolarHBondContact O-N 2.91Å; Q505-L507 VanDerWaalsContact C-N 3.3Å; Q505-L507 PolarHBondContact O-N 3.33Å; L507-T511 VanDerWaalsContact O-CB 3.31Å; L507-T511 WeakPolarHBondContact O-CB 3.43Å; L507-T511 VanDerWaalsContact O-CG2 3.3Å; L507-T511 WeakPolarHBondContact O-CG2 3.34Å; L507-T511 PolarHBondContact O-N 3.32Å; L507-T511 PolarHBondContact O-OG1 3.3Å; L507-G523 WeakPolarHBondContact CD2-O 3.28Å; L507-W527 HydrophobicContact CD1-CB 4.34Å; L507-W527 HydrophobicContact CD2-CB 4.27Å; L507-L530 HydrophobicContact CD1-CD1 4.26Å |
| 508 | S | 95.2 | Very high | 92 | Very high | 39 Ų | 39 | 64.3 Ų | 64.3 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -51.3 | 173.7 | -167.7 | 0 | 0 | 0 | 0 | 110.7 | Q504 Q505 A510 T511 Q512 | Q504-S508 WeakPolarHBondContact O-CB 3.49Å; Q504-S508 PolarHBondContact O-N 3.02Å; Q505-S508 WeakPolarHBondContact O-CB 3.42Å; Q505-S508 PolarHBondContact O-N 3.46Å; Q505-S508 VanDerWaalsContact O-N 3.16Å; S508-A510 VanDerWaalsContact C-N 3.3Å; S508-A510 PolarHBondContact O-N 3.39Å; S508-T511 PolarHBondContact O-N 3.2Å; S508-Q512 WeakPolarHBondContact O-CB 3.28Å; S508-Q512 PolarHBondContact O-N 2.89Å |
| 509 | L | 95.5 | Very high | 92.7 | Very high | 21 Ų | 21 | 58.2 Ų | 58.2 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -56.9 | -44.1 | 177.6 | -68.3 | 167.8 | 0 | 0 | 0 | 111.5 | L470 F473 H474 Q505 D513 S514 | L470-L509 HydrophobicContact CD1-CD1 3.74Å; L470-L509 HydrophobicContact CG-CD1 4.06Å; F473-L509 HydrophobicContact CB-CD1 4.07Å; F473-L509 HydrophobicContact CD1-CB 3.76Å; F473-L509 HydrophobicContact CD1-CD1 4.18Å; F473-L509 HydrophobicContact CD1-CG 4.41Å; F473-L509 HydrophobicContact CE1-CB 3.76Å; F473-L509 HydrophobicContact CG-CB 4.44Å; F473-L509 HydrophobicContact CG-CD1 4.11Å; F473-L509 HydrophobicContact CZ-CB 4.44Å; H474-L509 VanDerWaalsContact NE2-CD2 3.28Å; H474-L509 WeakPolarHBondContact NE2-CD2 3.39Å; Q505-L509 HydrophobicContact CG-CD1 3.96Å; Q505-L509 VanDerWaalsContact O-CG 3.28Å; Q505-L509 WeakPolarHBondContact O-CG 3.5Å; Q505-L509 PolarHBondContact O-N 2.98Å; L509-D513 CarbonylContact O-C 3.59Å; L509-D513 PolarHBondContact O-N 2.9Å; L509-S514 WeakPolarHBondContact O-CB 3.18Å; L509-S514 PolarHBondContact O-N 3.02Å |
| 510 | A | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -72.8 | -30.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L485 V506 S508 S514 L519 R520 | L485-A510 HydrophobicContact CD1-CB 4.4Å; L485-A510 HydrophobicContact CD2-CB 4.18Å; V506-A510 WeakPolarHBondContact O-CB 3.29Å; V506-A510 PolarHBondContact O-N 3.28Å; S508-A510 VanDerWaalsContact C-N 3.3Å; S508-A510 PolarHBondContact O-N 3.39Å; A510-S514 WeakPolarHBondContact O-CB 3.44Å; A510-L519 HydrophobicContact CB-CD1 4.24Å; A510-L519 HydrophobicContact CB-CG 4.11Å; A510-R520 WeakPolarHBondContact O-CA 3.28Å; A510-R520 VanDerWaalsContact O-CG 3.29Å; A510-R520 WeakPolarHBondContact O-CG 3.37Å |
| 511 | T | 92.8 | Very high | 93.5 | Very high | 13 Ų | 13 | 62 Ų | 62 | 8% | 0.08 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -100.7 | -33.2 | -172.6 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | L507 S508 R520 Y524 | L507-T511 VanDerWaalsContact O-CB 3.31Å; L507-T511 WeakPolarHBondContact O-CB 3.43Å; L507-T511 VanDerWaalsContact O-CG2 3.3Å; L507-T511 WeakPolarHBondContact O-CG2 3.34Å; L507-T511 PolarHBondContact O-N 3.32Å; L507-T511 PolarHBondContact O-OG1 3.3Å; S508-T511 PolarHBondContact O-N 3.2Å; T511-R520 PolarHBondContact O-NE 3.06Å; T511-R520 VanDerWaalsContact O-NE 3.16Å; T511-R520 PolarHBondContact O-NH2 3.34Å; T511-R520 VanDerWaalsContact O-NH2 3.08Å; T511-Y524 HydrophobicContact CG2-CD1 3.88Å; T511-Y524 HydrophobicContact CG2-CD2 4.42Å; T511-Y524 HydrophobicContact CG2-CE1 3.9Å; T511-Y524 HydrophobicContact CG2-CE2 4.45Å; T511-Y524 HydrophobicContact CG2-CG 4.14Å |
| 512 | Q | 92.2 | Very high | 93.7 | Very high | 142 Ų | 142 | 58.6 Ų | 58.6 | 66% | 0.664 | 30% | 0.297 | S | S | * | . | I | π-helix | trans | -103.6 | -44.1 | -174.5 | -58.2 | -179.8 | 35.8 | 0 | 0 | 112 | S508 | S508-Q512 WeakPolarHBondContact O-CB 3.28Å; S508-Q512 PolarHBondContact O-N 2.89Å |
| 513 | D | 90.3 | Very high | 93.8 | Very high | 83 Ų | 83 | 58 Ų | 58 | 44% | 0.444 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -99.1 | -15.2 | -169.4 | -55.4 | -28.6 | 0 | 0 | 0 | 113.2 | L509 | L509-D513 CarbonylContact O-C 3.59Å; L509-D513 PolarHBondContact O-N 2.9Å |
| 514 | S | 90.1 | Very high | 93.9 | Very high | 10 Ų | 10 | 61 Ų | 61 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | trans | -87.5 | 131.8 | 177.9 | 164.7 | 0 | 0 | 0 | 0 | 112.3 | L509 A510 N516 L519 R520 | L509-S514 WeakPolarHBondContact O-CB 3.18Å; L509-S514 PolarHBondContact O-N 3.02Å; A510-S514 WeakPolarHBondContact O-CB 3.44Å; S514-N516 PolarHBondContact OG-N 2.85Å; S514-N516 VanDerWaalsContact OG-N 3.14Å; S514-L519 WeakPolarHBondContact OG-CD2 3.24Å; S514-R520 WeakPolarHBondContact O-CD 3.39Å; S514-R520 WeakPolarHBondContact O-CG 3.43Å | ||
| 515 | D | 88.4 | Confident | 94 | Very high | 162 Ų | 162 | 59.2 Ų | 59.2 | 87% | 0.866 | 30% | 0.298 | S | S | * | . | trans | -86.7 | -11.4 | 171.4 | -68.9 | -37.1 | 0 | 0 | 0 | 113.7 | ||||
| 516 | N | 92.7 | Very high | 94 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 22% | 0.219 | 29% | 0.285 | C | S | . | . | trans | -78.6 | 122.3 | -177.1 | -176.4 | -66.4 | 0 | 0 | 0 | 111.7 | T478 S514 D518 L519 R520 | T478-N516 VanDerWaalsContact CG2-ND2 3.28Å; T478-N516 WeakPolarHBondContact CG2-ND2 3.37Å; S514-N516 PolarHBondContact OG-N 2.85Å; S514-N516 VanDerWaalsContact OG-N 3.14Å; N516-D518 PolarHBondContact O-N 2.56Å; N516-D518 WeakPolarHBondContact OD1-CB 3.4Å; N516-D518 PolarHBondContact OD1-N 3.01Å; N516-L519 HydrophobicContact CB-CB 4.03Å; N516-L519 PolarHBondContact O-N 2.84Å; N516-L519 PolarHBondContact OD1-N 3.11Å; N516-L519 VanDerWaalsContact OD1-N 3.1Å; N516-R520 VanDerWaalsContact O-CG 3.3Å; N516-R520 WeakPolarHBondContact O-CG 3.48Å; N516-R520 PolarHBondContact O-N 3.42Å | ||
| 517 | P | 93.8 | Very high | 93.9 | Very high | 82 Ų | 82 | 62.9 Ų | 62.9 | 53% | 0.532 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | -176 | 25.5 | -33.9 | 0 | 0 | 0 | 113.4 | L519 R520 D521 | P517-L519 VanDerWaalsContact C-N 3.32Å; P517-L519 PolarHBondContact O-N 3.35Å; P517-R520 PolarHBondContact O-N 3.29Å; P517-D521 WeakPolarHBondContact O-CB 3.41Å; P517-D521 PolarHBondContact O-N 3.38Å |
| 518 | D | 94.4 | Very high | 93.8 | Very high | 103 Ų | 103 | 69.1 Ų | 69.1 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.4 | -39.5 | 179.6 | -63.2 | -43.6 | 0 | 0 | 0 | 111.4 | N516 R522 | N516-D518 PolarHBondContact O-N 2.56Å; N516-D518 WeakPolarHBondContact OD1-CB 3.4Å; N516-D518 PolarHBondContact OD1-N 3.01Å; D518-R522 WeakPolarHBondContact O-CB 3.29Å; D518-R522 PolarHBondContact O-N 2.8Å |
| 519 | L | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.5 | -43.9 | 177.5 | -174.7 | 58.1 | 0 | 0 | 0 | 111.3 | F473 Q481 L482 L485 A510 S514 N516 P517 G523 | F473-L519 HydrophobicContact CE1-CD2 4.03Å; F473-L519 HydrophobicContact CZ-CD1 4.25Å; F473-L519 HydrophobicContact CZ-CD2 3.75Å; F473-L519 HydrophobicContact CZ-CG 4.43Å; Q481-L519 HydrophobicContact CB-CD1 4.2Å; Q481-L519 HydrophobicContact CB-CD2 3.79Å; Q481-L519 HydrophobicContact CG-CD2 4.35Å; L482-L519 HydrophobicContact CD2-CB 4.19Å; L482-L519 HydrophobicContact CD2-CD1 3.82Å; L482-L519 HydrophobicContact CG-CD1 4.22Å; L485-L519 HydrophobicContact CB-CD1 4.39Å; L485-L519 HydrophobicContact CD2-CD1 3.89Å; A510-L519 HydrophobicContact CB-CD1 4.24Å; A510-L519 HydrophobicContact CB-CG 4.11Å; S514-L519 WeakPolarHBondContact OG-CD2 3.24Å; N516-L519 HydrophobicContact CB-CB 4.03Å; N516-L519 PolarHBondContact O-N 2.84Å; N516-L519 PolarHBondContact OD1-N 3.11Å; N516-L519 VanDerWaalsContact OD1-N 3.1Å; P517-L519 VanDerWaalsContact C-N 3.32Å; P517-L519 PolarHBondContact O-N 3.35Å; L519-G523 PolarHBondContact O-N 3.29Å |
| 520 | R | 95.9 | Very high | 93.5 | Very high | 94 Ų | 94 | 69.3 Ų | 69.3 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 175.5 | -69.5 | -172.5 | 81.7 | 179.5 | 1 | 112.1 | A510 T511 S514 N516 P517 G523 Y524 | A510-R520 WeakPolarHBondContact O-CA 3.28Å; A510-R520 VanDerWaalsContact O-CG 3.29Å; A510-R520 WeakPolarHBondContact O-CG 3.37Å; T511-R520 PolarHBondContact O-NE 3.06Å; T511-R520 VanDerWaalsContact O-NE 3.16Å; T511-R520 PolarHBondContact O-NH2 3.34Å; T511-R520 VanDerWaalsContact O-NH2 3.08Å; S514-R520 WeakPolarHBondContact O-CD 3.39Å; S514-R520 WeakPolarHBondContact O-CG 3.43Å; N516-R520 VanDerWaalsContact O-CG 3.3Å; N516-R520 WeakPolarHBondContact O-CG 3.48Å; N516-R520 PolarHBondContact O-N 3.42Å; P517-R520 PolarHBondContact O-N 3.29Å; R520-G523 PolarHBondContact O-N 3.41Å; R520-Y524 PolarHBondContact NH2-OH 3.35Å; R520-Y524 WeakPolarHBondContact O-CD2 3.08Å; R520-Y524 PolarHBondContact O-N 2.95Å |
| 521 | D | 95.7 | Very high | 93.2 | Very high | 98 Ų | 98 | 73.1 Ų | 73.1 | 52% | 0.524 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | -179.6 | -79.8 | -12.7 | 0 | 0 | 0 | 111 | P517 G523 Y524 I525 | P517-D521 WeakPolarHBondContact O-CB 3.41Å; P517-D521 PolarHBondContact O-N 3.38Å; D521-G523 VanDerWaalsContact C-N 3.31Å; D521-G523 PolarHBondContact O-N 3.16Å; D521-Y524 PolarHBondContact O-N 2.85Å; D521-I525 WeakPolarHBondContact O-CB 3.32Å; D521-I525 WeakPolarHBondContact O-CG1 3.14Å; D521-I525 PolarHBondContact O-N 3.03Å |
| 522 | R | 95.8 | Very high | 93.1 | Very high | 94 Ų | 94 | 78.1 Ų | 78.1 | 36% | 0.355 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 174.4 | -170.6 | 175.3 | -64.2 | -177.9 | 4.8 | 111.7 | L482 L485 D518 I525 Y526 | L482-R522 HydrophobicContact CD2-CB 4.33Å; L485-R522 HydrophobicContact CD2-CB 4.08Å; L485-R522 HydrophobicContact CD2-CG 3.93Å; D518-R522 WeakPolarHBondContact O-CB 3.29Å; D518-R522 PolarHBondContact O-N 2.8Å; R522-I525 PolarHBondContact O-N 3.42Å; R522-Y526 HydrophobicContact CG-CD2 3.9Å; R522-Y526 HydrophobicContact CG-CE2 3.46Å; R522-Y526 VanDerWaalsContact CG-CE2 3.46Å; R522-Y526 WeakPolarHBondContact O-CD2 3.25Å; R522-Y526 PolarHBondContact O-N 3.5Å |
| 523 | G | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L507 L519 R520 D521 I525 Y526 W527 | L507-G523 WeakPolarHBondContact CD2-O 3.28Å; L519-G523 PolarHBondContact O-N 3.29Å; R520-G523 PolarHBondContact O-N 3.41Å; D521-G523 VanDerWaalsContact C-N 3.31Å; D521-G523 PolarHBondContact O-N 3.16Å; G523-I525 PolarHBondContact O-N 3.3Å; G523-Y526 PolarHBondContact O-N 3.35Å; G523-W527 VanDerWaalsContact O-CB 3.31Å; G523-W527 WeakPolarHBondContact O-CB 3.32Å; G523-W527 PolarHBondContact O-N 3.41Å |
| 524 | Y | 95.7 | Very high | 92.8 | Very high | 71 Ų | 71 | 74 Ų | 74 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 176.7 | -77.2 | -56.4 | 0 | 0 | 0 | 113 | T511 R520 D521 W527 R528 | T511-Y524 HydrophobicContact CG2-CD1 3.88Å; T511-Y524 HydrophobicContact CG2-CD2 4.42Å; T511-Y524 HydrophobicContact CG2-CE1 3.9Å; T511-Y524 HydrophobicContact CG2-CE2 4.45Å; T511-Y524 HydrophobicContact CG2-CG 4.14Å; R520-Y524 PolarHBondContact NH2-OH 3.35Å; R520-Y524 WeakPolarHBondContact O-CD2 3.08Å; R520-Y524 PolarHBondContact O-N 2.95Å; D521-Y524 PolarHBondContact O-N 2.85Å; Y524-W527 HydrophobicContact CD1-CE3 4.38Å; Y524-R528 VanDerWaalsContact O-CB 3.32Å; Y524-R528 WeakPolarHBondContact O-CB 3.45Å; Y524-R528 WeakPolarHBondContact O-CG 3.09Å; Y524-R528 PolarHBondContact O-N 3.05Å |
| 525 | I | 94.9 | Very high | 92.7 | Very high | 91 Ų | 91 | 78.1 Ų | 78.1 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.5 | -50.9 | 174.8 | -72 | 164.8 | 0 | 0 | 0 | 109.8 | D521 R522 G523 R528 L529 | D521-I525 WeakPolarHBondContact O-CB 3.32Å; D521-I525 WeakPolarHBondContact O-CG1 3.14Å; D521-I525 PolarHBondContact O-N 3.03Å; R522-I525 PolarHBondContact O-N 3.42Å; G523-I525 PolarHBondContact O-N 3.3Å; I525-R528 PolarHBondContact O-N 3.24Å; I525-L529 HydrophobicContact CG2-CD1 3.83Å; I525-L529 HydrophobicContact CG2-CG 4.47Å; I525-L529 WeakPolarHBondContact O-CB 3.18Å; I525-L529 WeakPolarHBondContact O-CG 3.36Å; I525-L529 PolarHBondContact O-N 3.07Å |
| 526 | Y | 95.2 | Very high | 92.8 | Very high | 28 Ų | 28 | 73 Ų | 73 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64 | -43.3 | 177.9 | -69.4 | -37.1 | 0 | 0 | 0 | 112.4 | L485 T486 V489 R522 G523 R528 L529 L530 V541 | L485-Y526 HydrophobicContact CD1-CD2 4.09Å; L485-Y526 HydrophobicContact CD2-CD2 4.04Å; L485-Y526 HydrophobicContact CD2-CE2 4.26Å; L485-Y526 HydrophobicContact CG-CD2 3.8Å; L485-Y526 HydrophobicContact CG-CE2 3.95Å; T486-Y526 WeakPolarHBondContact CG2-OH 3.49Å; T486-Y526 PolarHBondContact OG1-OH 3.03Å; V489-Y526 HydrophobicContact CB-CD2 4.41Å; V489-Y526 HydrophobicContact CB-CG 4.47Å; V489-Y526 HydrophobicContact CG1-CD1 4.12Å; V489-Y526 HydrophobicContact CG1-CG 4.17Å; V489-Y526 HydrophobicContact CG2-CD2 3.79Å; V489-Y526 HydrophobicContact CG2-CE2 4.37Å; V489-Y526 HydrophobicContact CG2-CG 3.94Å; R522-Y526 HydrophobicContact CG-CD2 3.9Å; R522-Y526 HydrophobicContact CG-CE2 3.46Å; R522-Y526 VanDerWaalsContact CG-CE2 3.46Å; R522-Y526 WeakPolarHBondContact O-CD2 3.25Å; R522-Y526 PolarHBondContact O-N 3.5Å; G523-Y526 PolarHBondContact O-N 3.35Å; Y526-R528 VanDerWaalsContact C-N 3.33Å; Y526-R528 PolarHBondContact O-N 2.96Å; Y526-L529 PolarHBondContact O-N 3.27Å; Y526-L530 WeakPolarHBondContact O-CB 3.03Å; Y526-L530 VanDerWaalsContact O-CG 3.25Å; Y526-L530 WeakPolarHBondContact O-CG 3.4Å; Y526-L530 PolarHBondContact O-N 3.25Å; Y526-V541 HydrophobicContact CD1-CG2 3.96Å; Y526-V541 HydrophobicContact CE1-CG2 3.62Å |
| 527 | W | 93.7 | Very high | 92.6 | Very high | 133 Ų | 133 | 71 Ų | 71 | 50% | 0.504 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.1 | -45.1 | 176.5 | -179.6 | 69.9 | 0 | 0 | 0 | 112.1 | L507 G523 Y524 S531 | L507-W527 HydrophobicContact CD1-CB 4.34Å; L507-W527 HydrophobicContact CD2-CB 4.27Å; G523-W527 VanDerWaalsContact O-CB 3.31Å; G523-W527 WeakPolarHBondContact O-CB 3.32Å; G523-W527 PolarHBondContact O-N 3.41Å; Y524-W527 HydrophobicContact CD1-CE3 4.38Å; W527-S531 VanDerWaalsContact O-CB 3.22Å; W527-S531 WeakPolarHBondContact O-CB 3.35Å; W527-S531 PolarHBondContact O-N 3.05Å; W527-S531 PolarHBondContact O-OG 2.84Å |
| 528 | R | 93.7 | Very high | 92.4 | Very high | 147 Ų | 147 | 72.1 Ų | 72.1 | 56% | 0.555 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.9 | -42.8 | 177.5 | -73.5 | 171.9 | -175.7 | 151.4 | 3.7 | 112.3 | Y524 I525 Y526 T532 | Y524-R528 VanDerWaalsContact O-CB 3.32Å; Y524-R528 WeakPolarHBondContact O-CB 3.45Å; Y524-R528 WeakPolarHBondContact O-CG 3.09Å; Y524-R528 PolarHBondContact O-N 3.05Å; I525-R528 PolarHBondContact O-N 3.24Å; Y526-R528 VanDerWaalsContact C-N 3.33Å; Y526-R528 PolarHBondContact O-N 2.96Å; R528-T532 WeakPolarHBondContact O-CB 3.46Å; R528-T532 PolarHBondContact O-N 3.1Å; R528-T532 PolarHBondContact O-OG1 3.04Å |
| 529 | L | 91.7 | Very high | 92.2 | Very high | 37 Ų | 37 | 73.7 Ų | 73.7 | 19% | 0.194 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.4 | -51.2 | 177.1 | -77.6 | 171.6 | 0 | 0 | 0 | 110.9 | I525 Y526 S531 T532 D533 T536 A537 V540 | I525-L529 HydrophobicContact CG2-CD1 3.83Å; I525-L529 HydrophobicContact CG2-CG 4.47Å; I525-L529 WeakPolarHBondContact O-CB 3.18Å; I525-L529 WeakPolarHBondContact O-CG 3.36Å; I525-L529 PolarHBondContact O-N 3.07Å; Y526-L529 PolarHBondContact O-N 3.27Å; L529-S531 VanDerWaalsContact C-N 3.34Å; L529-S531 PolarHBondContact O-N 2.88Å; L529-T532 PolarHBondContact O-N 2.96Å; L529-D533 CarbonylContact O-C 3.58Å; L529-D533 VanDerWaalsContact O-C 3.27Å; L529-D533 PolarHBondContact O-N 3.26Å; L529-D533 VanDerWaalsContact O-O 3.11Å; L529-T536 HydrophobicContact CD2-CG2 4.31Å; L529-A537 HydrophobicContact CB-CB 3.91Å; L529-V540 HydrophobicContact CD1-CG1 4.34Å |
| 530 | L | 90.9 | Very high | 92 | Very high | 27 Ų | 27 | 77.5 Ų | 77.5 | 14% | 0.141 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.6 | -35.6 | -179.4 | -67.6 | 174.1 | 0 | 0 | 0 | 112.8 | V489 F492 L493 V503 L507 Y526 A537 | V489-L530 HydrophobicContact CG1-CD1 4.24Å; V489-L530 HydrophobicContact CG2-CD1 4.46Å; F492-L530 HydrophobicContact CD1-CD1 4.25Å; F492-L530 HydrophobicContact CD1-CD2 3.92Å; F492-L530 HydrophobicContact CE1-CD2 4.02Å; L493-L530 HydrophobicContact CD2-CD2 3.69Å; L493-L530 HydrophobicContact CG-CD2 4.17Å; V503-L530 HydrophobicContact CG2-CD1 3.97Å; L507-L530 HydrophobicContact CD1-CD1 4.26Å; Y526-L530 WeakPolarHBondContact O-CB 3.03Å; Y526-L530 VanDerWaalsContact O-CG 3.25Å; Y526-L530 WeakPolarHBondContact O-CG 3.4Å; Y526-L530 PolarHBondContact O-N 3.25Å; L530-A537 HydrophobicContact CD2-CB 4.06Å |
| 531 | S | 89.4 | Confident | 91.7 | Very high | 79 Ų | 79 | 73.7 Ų | 73.7 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -80.5 | -27.5 | -179.1 | -54.9 | 0 | 0 | 0 | 0 | 113.6 | W527 L529 | W527-S531 VanDerWaalsContact O-CB 3.22Å; W527-S531 WeakPolarHBondContact O-CB 3.35Å; W527-S531 PolarHBondContact O-N 3.05Å; W527-S531 PolarHBondContact O-OG 2.84Å; L529-S531 VanDerWaalsContact C-N 3.34Å; L529-S531 PolarHBondContact O-N 2.88Å |
| 532 | T | 90.7 | Very high | 91.5 | Very high | 118 Ų | 118 | 71.4 Ų | 71.4 | 72% | 0.724 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -93.9 | -51.6 | -175.7 | -50 | 0 | 0 | 0 | 0 | 111.8 | R528 L529 | R528-T532 WeakPolarHBondContact O-CB 3.46Å; R528-T532 PolarHBondContact O-N 3.1Å; R528-T532 PolarHBondContact O-OG1 3.04Å; L529-T532 PolarHBondContact O-N 2.96Å |
| 533 | D | 90.2 | Very high | 91.1 | Very high | 60 Ų | 60 | 70 Ų | 70 | 32% | 0.321 | 36% | 0.364 | S | S | . | . | trans | -150.5 | 95.1 | -174.2 | -174.9 | -5.8 | 0 | 0 | 0 | 111.2 | L529 V535 T536 A537 | L529-D533 CarbonylContact O-C 3.58Å; L529-D533 VanDerWaalsContact O-C 3.27Å; L529-D533 PolarHBondContact O-N 3.26Å; L529-D533 VanDerWaalsContact O-O 3.11Å; D533-V535 PolarHBondContact O-N 3.32Å; D533-V535 WeakPolarHBondContact OD1-CB 3.18Å; D533-V535 PolarHBondContact OD1-N 2.84Å; D533-T536 VanDerWaalsContact CG-OG1 3.3Å; D533-T536 PolarHBondContact O-N 2.78Å; D533-T536 PolarHBondContact OD1-N 2.95Å; D533-T536 WeakPolarHBondContact OD2-CB 3.48Å; D533-T536 PolarHBondContact OD2-OG1 3.25Å; D533-A537 WeakPolarHBondContact O-CB 3.43Å; D533-A537 PolarHBondContact O-N 3.29Å | ||
| 534 | P | 84.6 | Confident | 90.4 | Very high | 79 Ų | 79 | 79.2 Ų | 79.2 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.4 | -26.9 | 177 | -24.4 | 33.9 | 0 | 0 | 0 | 114.2 | K538 | P534-K538 PolarHBondContact O-N 3.26Å |
| 535 | V | 88.5 | Confident | 89.7 | Confident | 97 Ų | 97 | 79 Ų | 79 | 59% | 0.588 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -72.1 | -50.7 | -180 | -177.8 | 0 | 0 | 0 | 0 | 109 | D533 A537 K538 E539 | D533-V535 PolarHBondContact O-N 3.32Å; D533-V535 WeakPolarHBondContact OD1-CB 3.18Å; D533-V535 PolarHBondContact OD1-N 2.84Å; V535-A537 VanDerWaalsContact C-N 3.28Å; V535-A537 PolarHBondContact O-N 3.07Å; V535-K538 WeakPolarHBondContact O-CB 3.36Å; V535-K538 PolarHBondContact O-N 3.37Å; V535-K538 VanDerWaalsContact O-N 3.1Å; V535-E539 PolarHBondContact O-N 2.94Å |
| 536 | T | 89.6 | Confident | 89.1 | Confident | 53 Ų | 53 | 79.8 Ų | 79.8 | 33% | 0.325 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 174 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | L529 D533 K538 E539 V540 | L529-T536 HydrophobicContact CD2-CG2 4.31Å; D533-T536 VanDerWaalsContact CG-OG1 3.3Å; D533-T536 PolarHBondContact O-N 2.78Å; D533-T536 PolarHBondContact OD1-N 2.95Å; D533-T536 WeakPolarHBondContact OD2-CB 3.48Å; D533-T536 PolarHBondContact OD2-OG1 3.25Å; T536-K538 VanDerWaalsContact C-N 3.3Å; T536-K538 PolarHBondContact O-N 2.77Å; T536-E539 PolarHBondContact O-N 3.02Å; T536-V540 HydrophobicContact CG2-CG2 4.16Å; T536-V540 WeakPolarHBondContact O-CG2 3.43Å; T536-V540 PolarHBondContact O-N 2.77Å |
| 537 | A | 90.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L493 L529 L530 D533 V535 V540 V541 | L493-A537 HydrophobicContact CD2-CB 4.19Å; L529-A537 HydrophobicContact CB-CB 3.91Å; L530-A537 HydrophobicContact CD2-CB 4.06Å; D533-A537 WeakPolarHBondContact O-CB 3.43Å; D533-A537 PolarHBondContact O-N 3.29Å; V535-A537 VanDerWaalsContact C-N 3.28Å; V535-A537 PolarHBondContact O-N 3.07Å; A537-V540 PolarHBondContact O-N 3.21Å; A537-V541 VanDerWaalsContact O-CB 3.29Å; A537-V541 WeakPolarHBondContact O-CB 3.25Å; A537-V541 VanDerWaalsContact O-CG2 3.22Å; A537-V541 WeakPolarHBondContact O-CG2 3.47Å; A537-V541 PolarHBondContact O-N 3.26Å |
| 538 | K | 89.5 | Confident | 87.7 | Confident | 105 Ų | 105 | 78.8 Ų | 78.8 | 46% | 0.457 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 176.1 | -165.8 | 175.4 | -179.3 | 169.2 | 0 | 111.8 | L493 P534 V535 T536 V540 L542 | L493-K538 HydrophobicContact CD2-CB 4.37Å; P534-K538 PolarHBondContact O-N 3.26Å; V535-K538 WeakPolarHBondContact O-CB 3.36Å; V535-K538 PolarHBondContact O-N 3.37Å; V535-K538 VanDerWaalsContact O-N 3.1Å; T536-K538 VanDerWaalsContact C-N 3.3Å; T536-K538 PolarHBondContact O-N 2.77Å; K538-V540 PolarHBondContact O-N 3.26Å; K538-L542 HydrophobicContact CD-CD1 4.38Å; K538-L542 HydrophobicContact CG-CD1 3.65Å; K538-L542 HydrophobicContact CG-CG 4.26Å; K538-L542 VanDerWaalsContact O-CB 3.24Å; K538-L542 WeakPolarHBondContact O-CB 3.49Å; K538-L542 PolarHBondContact O-N 3.11Å |
| 539 | E | 89.6 | Confident | 86.6 | Confident | 137 Ų | 137 | 74.6 Ų | 74.6 | 64% | 0.64 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.6 | -40.7 | 179.1 | -69 | -179.2 | 177 | 0 | 0 | 112.7 | V535 T536 S543 | V535-E539 PolarHBondContact O-N 2.94Å; T536-E539 PolarHBondContact O-N 3.02Å; E539-S543 WeakPolarHBondContact O-CB 3.37Å; E539-S543 PolarHBondContact O-N 3.18Å |
| 540 | V | 89.9 | Confident | 85.4 | Confident | 79 Ų | 79 | 77.1 Ų | 77.1 | 48% | 0.479 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -73.2 | -50.5 | -179.9 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | L529 T536 A537 K538 S543 | L529-V540 HydrophobicContact CD1-CG1 4.34Å; T536-V540 HydrophobicContact CG2-CG2 4.16Å; T536-V540 WeakPolarHBondContact O-CG2 3.43Å; T536-V540 PolarHBondContact O-N 2.77Å; A537-V540 PolarHBondContact O-N 3.21Å; K538-V540 PolarHBondContact O-N 3.26Å; V540-S543 WeakPolarHBondContact O-CB 3.36Å; V540-S543 PolarHBondContact O-OG 3.13Å |
| 541 | V | 90.8 | Very high | 83.7 | Confident | 14 Ų | 14 | 82.8 Ų | 82.8 | 9% | 0.085 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -77.7 | -34.5 | -170.9 | -179.8 | 0 | 0 | 0 | 0 | 112.8 | V489 K490 L493 Y526 A537 S543 | V489-V541 HydrophobicContact CG1-CG1 4.19Å; V489-V541 HydrophobicContact CG1-CG2 4.31Å; K490-V541 WeakPolarHBondContact CE-O 3.39Å; K490-V541 HydrophobicContact CG-CG1 3.63Å; L493-V541 HydrophobicContact CD1-CB 3.64Å; L493-V541 HydrophobicContact CD1-CG1 3.9Å; L493-V541 HydrophobicContact CD1-CG2 4.04Å; Y526-V541 HydrophobicContact CD1-CG2 3.96Å; Y526-V541 HydrophobicContact CE1-CG2 3.62Å; A537-V541 VanDerWaalsContact O-CB 3.29Å; A537-V541 WeakPolarHBondContact O-CB 3.25Å; A537-V541 VanDerWaalsContact O-CG2 3.22Å; A537-V541 WeakPolarHBondContact O-CG2 3.47Å; A537-V541 PolarHBondContact O-N 3.26Å; V541-S543 VanDerWaalsContact C-N 3.35Å |
| 542 | L | 90.1 | Very high | 82.2 | Confident | 51 Ų | 51 | 84.8 Ų | 84.8 | 27% | 0.267 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 16.7 | 178.4 | -52.6 | -175 | 0 | 0 | 0 | 112.7 | K490 L493 K494 K538 | K490-L542 HydrophobicContact CB-CD2 4.14Å; K490-L542 HydrophobicContact CD-CD2 4.41Å; K490-L542 HydrophobicContact CG-CD2 3.77Å; L493-L542 HydrophobicContact CB-CD1 4.35Å; K494-L542 HydrophobicContact CG-CD1 4.21Å; K538-L542 HydrophobicContact CD-CD1 4.38Å; K538-L542 HydrophobicContact CG-CD1 3.65Å; K538-L542 HydrophobicContact CG-CG 4.26Å; K538-L542 VanDerWaalsContact O-CB 3.24Å; K538-L542 WeakPolarHBondContact O-CB 3.49Å; K538-L542 PolarHBondContact O-N 3.11Å |
| 543 | S | 88 | Confident | 81.2 | Confident | 65 Ų | 65 | 82.9 Ų | 82.9 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 148.5 | 175.9 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | E539 V540 V541 K545 | E539-S543 WeakPolarHBondContact O-CB 3.37Å; E539-S543 PolarHBondContact O-N 3.18Å; V540-S543 WeakPolarHBondContact O-CB 3.36Å; V540-S543 PolarHBondContact O-OG 3.13Å; V541-S543 VanDerWaalsContact C-N 3.35Å; S543-K545 PolarHBondContact O-N 3.19Å |
| 544 | E | 81.8 | Confident | 80.6 | Confident | 193 Ų | 193 | 84.7 Ų | 84.7 | 90% | 0.902 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 129.8 | 174 | -70.8 | -174.7 | 174.4 | 0 | 0 | 110.4 | ||
| 545 | K | 81.1 | Confident | 80.7 | Confident | 67 Ų | 67 | 82.4 Ų | 82.4 | 29% | 0.291 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -87.9 | 149 | -179.9 | -63.1 | -178.6 | -162.8 | 117.5 | 0 | 110.6 | W450 E454 S543 L547 | W450-K545 HydrophobicContact CZ2-CD 4.17Å; E454-K545 IonicContact OE1-NZ 2.67Å; E454-K545 PolarHBondContact OE1-NZ 2.73Å; E454-K545 IonicContact OE2-NZ 3.94Å; E454-K545 PolarHBondContact OE2-NZ 3.39Å; S543-K545 PolarHBondContact O-N 3.19Å; K545-L547 PolarHBondContact O-N 2.92Å |
| 546 | P | 82.3 | Confident | 80.7 | Confident | 107 Ų | 107 | 83.6 Ų | 83.6 | 70% | 0.695 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 131.6 | 169 | -23.2 | 32.9 | 0 | 0 | 0 | 110.8 | ||
| 547 | L | 80.6 | Confident | 80.6 | Confident | 104 Ų | 104 | 85.6 Ų | 85.6 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -64 | 141.7 | 173.3 | -59 | 178.9 | 0 | 0 | 0 | 109.2 | R419 K545 | R419-L547 WeakPolarHBondContact O-CD2 3.19Å; K545-L547 PolarHBondContact O-N 2.92Å |
| 548 | I | 79.8 | Confident | 80.5 | Confident | 36 Ų | 36 | 89 Ų | 89 | 19% | 0.185 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 135 | 173.3 | -61.8 | 178.9 | 0 | 0 | 0 | 108.6 | I382 D416 R419 K420 | I382-I548 HydrophobicContact CD1-CG2 4.33Å; D416-I548 HydrophobicContact CB-CD1 3.73Å; R419-I548 HydrophobicContact CB-CD1 3.69Å; R419-I548 HydrophobicContact CB-CG1 3.96Å; R419-I548 HydrophobicContact CG-CD1 4.4Å; K420-I548 VanDerWaalsContact CD-O 3.24Å; K420-I548 WeakPolarHBondContact CD-O 3.18Å; K420-I548 PolarHBondContact NZ-O 2.75Å |
| 549 | S | 69.7 | Low | 80.6 | Confident | 59 Ų | 59 | 86 Ų | 86 | 41% | 0.413 | 46% | 0.464 | S | S | . | . | trans | -105.5 | 156.8 | 173.3 | 64 | 0 | 0 | 0 | 0 | 111.2 | E551 | S549-E551 VanDerWaalsContact C-N 3.27Š| ||
| 550 | E | 65.9 | Low | 80.7 | Confident | 89 Ų | 89 | 80.1 Ų | 80.1 | 42% | 0.416 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -71.5 | -22.8 | 176.2 | -175.4 | -176.2 | 173.1 | 0 | 0 | 112.6 | K383 T552 | K383-E550 HydrophobicContact CB-CG 4.47Å; K383-E550 WeakPolarHBondContact CD-OE1 3.31Å; K383-E550 VanDerWaalsContact CE-OE1 3.27Å; K383-E550 WeakPolarHBondContact CE-OE1 3.41Å; K383-E550 VanDerWaalsContact CG-OE1 3.23Å; K383-E550 WeakPolarHBondContact CG-OE1 3.22Å; K383-E550 WeakPolarHBondContact CG-OE2 3.15Å; E550-T552 PolarHBondContact O-N 2.94Å |
| 551 | E | 55.7 | Low | 80.8 | Confident | 147 Ų | 147 | 77.4 Ų | 77.4 | 69% | 0.687 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -65.7 | -9.4 | -159.7 | -64.2 | -179.5 | 161.8 | 0 | 0 | 115.7 | S549 D553 L554 | S549-E551 VanDerWaalsContact C-N 3.27Å; E551-D553 PolarHBondContact O-N 3.39Å; E551-D553 VanDerWaalsContact O-N 3.08Å; E551-L554 PolarHBondContact O-N 3.43Å |
| 552 | T | 57.1 | Low | 80.9 | Confident | 120 Ų | 120 | 77.4 Ų | 77.4 | 74% | 0.736 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -64.2 | -18.8 | -172.1 | -43.1 | 0 | 0 | 0 | 0 | 113.9 | E550 | E550-T552 PolarHBondContact O-N 2.94Š|
| 553 | D | 69.8 | Low | 81.1 | Confident | 78 Ų | 78 | 75 Ų | 75 | 42% | 0.417 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -113.5 | 11.7 | -174.4 | -58 | -44.7 | 0 | 0 | 0 | 114.8 | R344 R379 E551 | R344-D553 PolarHBondContact NH1-O 3.07Å; R344-D553 PolarHBondContact NH2-O 3.28Å; R379-D553 IonicContact CZ-OD2 3.88Å; R379-D553 IonicContact NE-OD2 3.72Å; R379-D553 PolarHBondContact NE-OD2 3.18Å; R379-D553 VanDerWaalsContact NH2-CB 3.32Å; R379-D553 VanDerWaalsContact NH2-CG 3.33Å; R379-D553 IonicContact NH2-OD2 3.3Å; R379-D553 PolarHBondContact NH2-OD2 3Å; E551-D553 PolarHBondContact O-N 3.39Å; E551-D553 VanDerWaalsContact O-N 3.08Å |
| 554 | L | 79.2 | Confident | 81.4 | Confident | 99 Ų | 99 | 71.9 Ų | 71.9 | 52% | 0.518 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -87.4 | 139.9 | 175.8 | -61.8 | -176.1 | 0 | 0 | 0 | 110.8 | R344 E551 | R344-L554 VanDerWaalsContact NH1-CD2 3.25Å; E551-L554 PolarHBondContact O-N 3.43Å |
| 555 | I | 85.8 | Confident | 81.9 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 15% | 0.154 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 137.3 | 168.2 | -62.7 | 175.4 | 0 | 0 | 0 | 107.8 | L308 L559 L560 L563 H575 | L308-I555 HydrophobicContact CD2-CD1 3.43Å; L308-I555 VanDerWaalsContact CD2-CD1 3.43Å; I555-L559 HydrophobicContact CG2-CB 4.03Å; I555-L559 HydrophobicContact CG2-CD2 3.92Å; I555-L559 HydrophobicContact CG2-CG 3.85Å; I555-L560 HydrophobicContact CG2-CB 4.08Å; I555-L563 HydrophobicContact CD1-CD1 4.27Å; I555-L563 HydrophobicContact CG2-CD1 4.31Å; I555-H575 HydrophobicContact CD1-CB 4.19Å |
| 556 | E | 87.7 | Confident | 82.4 | Confident | 122 Ų | 122 | 61.2 Ų | 61.2 | 57% | 0.57 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 132.5 | 175.7 | -169.1 | -164.7 | 156.2 | 0 | 0 | 110.1 | T558 L559 L560 | E556-T558 PolarHBondContact O-N 3.36Å; E556-T558 VanDerWaalsContact O-N 3.12Å; E556-T558 PolarHBondContact OE1-OG1 3.43Å; E556-L559 HydrophobicContact CB-CB 4.29Å; E556-L559 PolarHBondContact O-N 2.91Å; E556-L560 PolarHBondContact O-N 2.88Å |
| 557 | P | 87.9 | Confident | 83.1 | Confident | 95 Ų | 95 | 56.1 Ų | 56.1 | 62% | 0.617 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -53.7 | -36.8 | -174.6 | -30.4 | 35.7 | 0 | 0 | 0 | 115 | L560 D561 | P557-L560 PolarHBondContact O-N 3.38Å; P557-D561 PolarHBondContact O-N 3.15Å |
| 558 | T | 89 | Confident | 83.6 | Confident | 73 Ų | 73 | 53.1 Ų | 53.1 | 45% | 0.448 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 178.5 | 58.9 | 0 | 0 | 0 | 0 | 111.6 | E556 L560 D561 E562 | E556-T558 PolarHBondContact O-N 3.36Å; E556-T558 VanDerWaalsContact O-N 3.12Å; E556-T558 PolarHBondContact OE1-OG1 3.43Å; T558-L560 VanDerWaalsContact C-N 3.35Å; T558-D561 PolarHBondContact O-N 2.99Å; T558-E562 PolarHBondContact O-N 3Å; T558-E562 VanDerWaalsContact O-N 3.13Å |
| 559 | L | 90.9 | Very high | 84.2 | Confident | 42 Ų | 42 | 53.4 Ų | 53.4 | 22% | 0.22 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67 | -37.9 | 175 | 176.4 | 59.4 | 0 | 0 | 0 | 111.1 | I555 E556 D561 E562 L563 P577 | I555-L559 HydrophobicContact CG2-CB 4.03Å; I555-L559 HydrophobicContact CG2-CD2 3.92Å; I555-L559 HydrophobicContact CG2-CG 3.85Å; E556-L559 HydrophobicContact CB-CB 4.29Å; E556-L559 PolarHBondContact O-N 2.91Å; L559-D561 VanDerWaalsContact C-N 3.34Å; L559-E562 PolarHBondContact O-N 3.22Å; L559-L563 HydrophobicContact CD1-CD1 4.09Å; L559-L563 HydrophobicContact CD1-CD2 4.49Å; L559-L563 HydrophobicContact CD1-CG 3.96Å; L559-L563 HydrophobicContact CG-CD1 3.9Å; L559-L563 HydrophobicContact CG-CG 4.23Å; L559-L563 WeakPolarHBondContact O-CB 3.36Å; L559-L563 VanDerWaalsContact O-CG 3.24Å; L559-L563 WeakPolarHBondContact O-CG 3.48Å; L559-L563 PolarHBondContact O-N 3.4Å; L559-P577 HydrophobicContact CD1-CB 4.31Å; L559-P577 HydrophobicContact CD1-CG 4.28Å |
| 560 | L | 92.5 | Very high | 85.3 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 175.4 | -179.6 | 61 | 0 | 0 | 0 | 110.7 | L308 Q311 K312 I555 E556 P557 T558 E562 L563 I564 | L308-L560 HydrophobicContact CB-CD1 4.17Å; L308-L560 HydrophobicContact CD2-CD1 3.89Å; Q311-L560 HydrophobicContact CB-CD1 4.2Å; Q311-L560 HydrophobicContact CB-CD2 3.87Å; K312-L560 HydrophobicContact CB-CD2 4.19Å; K312-L560 HydrophobicContact CD-CD2 4.44Å; I555-L560 HydrophobicContact CG2-CB 4.08Å; E556-L560 PolarHBondContact O-N 2.88Å; P557-L560 PolarHBondContact O-N 3.38Å; T558-L560 VanDerWaalsContact C-N 3.35Å; L560-E562 VanDerWaalsContact C-N 3.3Å; L560-E562 PolarHBondContact O-N 2.88Å; L560-L563 PolarHBondContact O-N 3.16Å; L560-I564 HydrophobicContact CD1-CG1 4.37Å; L560-I564 VanDerWaalsContact O-CG1 3.27Å; L560-I564 WeakPolarHBondContact O-CG1 3.42Å; L560-I564 PolarHBondContact O-N 2.66Å |
| 561 | D | 92.4 | Very high | 86.6 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 177.6 | -74 | -4.8 | 0 | 0 | 0 | 112 | K312 P557 T558 L559 C565 H592 L593 | K312-D561 WeakPolarHBondContact CE-OD1 3.28Å; K312-D561 IonicContact NZ-OD1 3.77Å; K312-D561 PolarHBondContact NZ-OD1 2.63Å; K312-D561 IonicContact NZ-OD2 2.77Å; P557-D561 PolarHBondContact O-N 3.15Å; T558-D561 PolarHBondContact O-N 2.99Å; L559-D561 VanDerWaalsContact C-N 3.34Å; D561-C565 PolarHBondContact O-N 3.16Å; D561-C565 PolarHBondContact O-SG 3Å; D561-H592 IonicContact OD2-CE1 2.75Å; D561-H592 PolarHBondContact OD2-CE1 2.86Å; D561-H592 IonicContact OD2-NE2 3.68Å; D561-L593 HydrophobicContact CB-CB 4.22Å; D561-L593 HydrophobicContact CB-CD1 3.92Å; D561-L593 HydrophobicContact CB-CG 4.03Å; D561-L593 WeakPolarHBondContact OD1-CD1 3.48Å |
| 562 | E | 91.4 | Very high | 88.4 | Confident | 14 Ų | 14 | 44.2 Ų | 44.2 | 7% | 0.065 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63 | -48.2 | 172.7 | -175.1 | 176.6 | 168.5 | 0 | 0 | 111.8 | T558 L559 L560 I564 C565 H566 P577 K591 | T558-E562 PolarHBondContact O-N 3Å; T558-E562 VanDerWaalsContact O-N 3.13Å; L559-E562 PolarHBondContact O-N 3.22Å; L560-E562 VanDerWaalsContact C-N 3.3Å; L560-E562 PolarHBondContact O-N 2.88Å; E562-I564 VanDerWaalsContact C-N 3.32Å; E562-I564 PolarHBondContact O-N 3.37Å; E562-C565 WeakPolarHBondContact O-CA 3.36Å; E562-C565 VanDerWaalsContact O-CB 3.26Å; E562-C565 WeakPolarHBondContact O-CB 3.36Å; E562-C565 PolarHBondContact O-N 3.31Å; E562-H566 PolarHBondContact O-CD2 2.91Å; E562-H566 VanDerWaalsContact O-CD2 3.27Å; E562-P577 WeakPolarHBondContact OE1-CB 3.38Å; E562-K591 WeakPolarHBondContact CA-O 3.39Å |
| 563 | L | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66 | -31.5 | -178.4 | -70.7 | 174.1 | 0 | 0 | 0 | 113.1 | L308 I555 L559 L560 C565 H566 I567 A571 H575 | L308-L563 HydrophobicContact CD1-CB 3.91Å; L308-L563 HydrophobicContact CD2-CB 4.22Å; L308-L563 HydrophobicContact CD2-CD1 3.95Å; I555-L563 HydrophobicContact CD1-CD1 4.27Å; I555-L563 HydrophobicContact CG2-CD1 4.31Å; L559-L563 HydrophobicContact CD1-CD1 4.09Å; L559-L563 HydrophobicContact CD1-CD2 4.49Å; L559-L563 HydrophobicContact CD1-CG 3.96Å; L559-L563 HydrophobicContact CG-CD1 3.9Å; L559-L563 HydrophobicContact CG-CG 4.23Å; L559-L563 WeakPolarHBondContact O-CB 3.36Å; L559-L563 VanDerWaalsContact O-CG 3.24Å; L559-L563 WeakPolarHBondContact O-CG 3.48Å; L559-L563 PolarHBondContact O-N 3.4Å; L560-L563 PolarHBondContact O-N 3.16Å; L563-C565 PolarHBondContact O-N 2.77Å; L563-H566 CarbonylContact O-C 3.57Å; L563-H566 WeakPolarHBondContact O-CA 3.39Å; L563-H566 PolarHBondContact O-N 3.5Å; L563-I567 PolarHBondContact O-N 3.46Å; L563-A571 HydrophobicContact CD2-CB 4.39Å; L563-A571 WeakPolarHBondContact CD2-O 3.49Å; L563-H575 HydrophobicContact CD1-CB 4.35Å |
| 564 | I | 94.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -35.2 | 172.4 | -68.8 | -66.7 | 0 | 0 | 0 | 110.8 | M264 L308 K312 L560 E562 H566 I567 L593 | M264-I564 HydrophobicContact CB-CG2 3.96Å; M264-I564 HydrophobicContact CE-CD1 4.12Å; L308-I564 HydrophobicContact CB-CD1 3.99Å; K312-I564 HydrophobicContact CB-CD1 4.27Å; K312-I564 HydrophobicContact CB-CG1 4.46Å; L560-I564 HydrophobicContact CD1-CG1 4.37Å; L560-I564 VanDerWaalsContact O-CG1 3.27Å; L560-I564 WeakPolarHBondContact O-CG1 3.42Å; L560-I564 PolarHBondContact O-N 2.66Å; E562-I564 VanDerWaalsContact C-N 3.32Å; E562-I564 PolarHBondContact O-N 3.37Å; I564-H566 PolarHBondContact O-N 3.17Å; I564-I567 HydrophobicContact CD1-CD1 3.99Å; I564-I567 HydrophobicContact CG2-CD1 4.15Å; I564-I567 WeakPolarHBondContact O-CG1 3.29Å; I564-I567 PolarHBondContact O-N 3.02Å; I564-L593 HydrophobicContact CB-CD1 4.35Å; I564-L593 HydrophobicContact CG2-CD1 4.25Å; I564-L593 HydrophobicContact CG2-CD2 3.95Å |
| 565 | C | 92.6 | Very high | 92 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 8% | 0.081 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -11.4 | 175 | -59.1 | 0 | 0 | 0 | 0 | 113 | K261 D561 E562 L563 K591 | K261-C565 WeakPolarHBondContact CD-O 3.44Å; D561-C565 PolarHBondContact O-N 3.16Å; D561-C565 PolarHBondContact O-SG 3Å; E562-C565 WeakPolarHBondContact O-CA 3.36Å; E562-C565 VanDerWaalsContact O-CB 3.26Å; E562-C565 WeakPolarHBondContact O-CB 3.36Å; E562-C565 PolarHBondContact O-N 3.31Å; L563-C565 PolarHBondContact O-N 2.77Å; C565-K591 HydrophobicContact CB-CB 3.81Å; C565-K591 HydrophobicContact CB-CD 4.48Å |
| 566 | H | 92.9 | Very high | 92.3 | Very high | 24 Ų | 24 | 42.4 Ų | 42.4 | 11% | 0.111 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | 15 | -177.3 | -74.2 | -68.8 | 0 | 0 | 0 | 113.5 | E562 L563 I564 G568 S569 A571 S572 | E562-H566 PolarHBondContact O-CD2 2.91Å; E562-H566 VanDerWaalsContact O-CD2 3.27Å; L563-H566 CarbonylContact O-C 3.57Å; L563-H566 WeakPolarHBondContact O-CA 3.39Å; L563-H566 PolarHBondContact O-N 3.5Å; I564-H566 PolarHBondContact O-N 3.17Å; H566-G568 PolarHBondContact O-N 3.22Å; H566-S569 WeakPolarHBondContact CB-OG 3.44Å; H566-S569 VanDerWaalsContact O-CB 3.31Å; H566-S569 WeakPolarHBondContact O-CB 3.32Å; H566-S569 PolarHBondContact O-N 3.38Å; H566-S569 PolarHBondContact O-OG 2.69Å; H566-A571 HydrophobicContact CB-CB 4.02Å; H566-S572 VanDerWaalsContact O-CB 3.3Å; H566-S572 WeakPolarHBondContact O-CB 3.35Å; H566-S572 PolarHBondContact O-OG 3.41Å |
| 567 | I | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 134.5 | 174.5 | -74 | 169.1 | 0 | 0 | 0 | 110.8 | L257 K261 M264 N305 I309 L563 I564 S569 | L257-I567 HydrophobicContact CB-CG2 4.45Å; L257-I567 HydrophobicContact CD2-CG2 4.25Å; K261-I567 HydrophobicContact CB-CB 3.89Å; K261-I567 HydrophobicContact CB-CG2 4.09Å; K261-I567 WeakPolarHBondContact CD-O 3.41Å; K261-I567 HydrophobicContact CG-CB 4.24Å; M264-I567 HydrophobicContact CB-CD1 4.32Å; M264-I567 HydrophobicContact CG-CD1 4.19Å; N305-I567 WeakPolarHBondContact OD1-CA 3.28Å; N305-I567 WeakPolarHBondContact OD1-CG2 3.37Å; I309-I567 HydrophobicContact CD1-CD1 4.25Å; I309-I567 HydrophobicContact CG1-CD1 3.94Å; L563-I567 PolarHBondContact O-N 3.46Å; I564-I567 HydrophobicContact CD1-CD1 3.99Å; I564-I567 HydrophobicContact CG2-CD1 4.15Å; I564-I567 WeakPolarHBondContact O-CG1 3.29Å; I564-I567 PolarHBondContact O-N 3.02Å; I567-S569 VanDerWaalsContact C-N 3.32Å |
| 568 | G | 91 | Very high | 92.1 | Very high | 40 Ų | 40 | 34.2 Ų | 34.2 | 41% | 0.412 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 1.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N305 H566 S572 | N305-G568 PolarHBondContact OD1-N 3.28Å; H566-G568 PolarHBondContact O-N 3.22Å; G568-S572 PolarHBondContact N-OG 3.47Å |
| 569 | S | 93 | Very high | 91.8 | Very high | 42 Ų | 42 | 34.7 Ų | 34.7 | 29% | 0.294 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -109.5 | 169.1 | 175.2 | 77.8 | 0 | 0 | 0 | 0 | 113 | H566 I567 A571 S572 V573 | H566-S569 WeakPolarHBondContact CB-OG 3.44Å; H566-S569 VanDerWaalsContact O-CB 3.31Å; H566-S569 WeakPolarHBondContact O-CB 3.32Å; H566-S569 PolarHBondContact O-N 3.38Å; H566-S569 PolarHBondContact O-OG 2.69Å; I567-S569 VanDerWaalsContact C-N 3.32Å; S569-A571 PolarHBondContact O-N 3.45Å; S569-A571 PolarHBondContact OG-N 2.97Å; S569-S572 PolarHBondContact N-OG 3.45Å; S569-S572 PolarHBondContact O-N 3.16Å; S569-S572 VanDerWaalsContact O-N 3.15Å; S569-S572 PolarHBondContact O-OG 2.97Å; S569-V573 PolarHBondContact O-N 3.18Å |
| 570 | L | 92.7 | Very high | 91.4 | Very high | 100 Ų | 100 | 35.9 Ų | 35.9 | 52% | 0.524 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.3 | -32.3 | 175.2 | -72.3 | 174.2 | 0 | 0 | 0 | 113.4 | S572 V573 Y574 F581 | L570-S572 VanDerWaalsContact C-N 3.35Å; L570-S572 PolarHBondContact O-N 3.4Å; L570-V573 CarbonylContact O-C 3.35Å; L570-V573 PolarHBondContact O-N 3.01Å; L570-V573 VanDerWaalsContact O-N 3.12Å; L570-Y574 HydrophobicContact CB-CD2 4.4Å; L570-Y574 HydrophobicContact CB-CE2 4.26Å; L570-Y574 HydrophobicContact CD2-CE2 4.39Å; L570-Y574 WeakPolarHBondContact O-CB 3.46Å; L570-Y574 PolarHBondContact O-N 3.35Å; L570-F581 HydrophobicContact CB-CE2 4.16Å; L570-F581 HydrophobicContact CB-CZ 4.19Å |
| 571 | A | 93 | Very high | 91 | Very high | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L563 H566 S569 V573 Y574 H575 K576 P578 F581 | L563-A571 HydrophobicContact CD2-CB 4.39Å; L563-A571 WeakPolarHBondContact CD2-O 3.49Å; H566-A571 HydrophobicContact CB-CB 4.02Å; S569-A571 PolarHBondContact O-N 3.45Å; S569-A571 PolarHBondContact OG-N 2.97Å; A571-V573 VanDerWaalsContact C-N 3.28Å; A571-V573 PolarHBondContact O-N 3.45Å; A571-Y574 PolarHBondContact O-N 2.8Å; A571-H575 WeakPolarHBondContact O-CA 3.48Å; A571-H575 PolarHBondContact O-N 3.25Å; A571-K576 VanDerWaalsContact CA-O 3.32Å; A571-K576 WeakPolarHBondContact CA-O 3.26Å; A571-K576 VanDerWaalsContact CB-O 3.27Å; A571-K576 WeakPolarHBondContact CB-O 3.49Å; A571-K576 PolarHBondContact O-N 2.92Å; A571-P578 HydrophobicContact CB-CG 3.91Å; A571-F581 HydrophobicContact CB-CE1 4.18Å; A571-F581 HydrophobicContact CB-CZ 4.02Å |
| 572 | S | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.6 | -28.2 | 175 | 69.8 | 0 | 0 | 0 | 0 | 113.3 | N305 H566 G568 S569 L570 H575 | N305-S572 PolarHBondContact ND2-OG 3.34Å; N305-S572 WeakPolarHBondContact OD1-CB 3.29Å; N305-S572 PolarHBondContact OD1-OG 2.93Å; H566-S572 VanDerWaalsContact O-CB 3.3Å; H566-S572 WeakPolarHBondContact O-CB 3.35Å; H566-S572 PolarHBondContact O-OG 3.41Å; G568-S572 PolarHBondContact N-OG 3.47Å; S569-S572 PolarHBondContact N-OG 3.45Å; S569-S572 PolarHBondContact O-N 3.16Å; S569-S572 VanDerWaalsContact O-N 3.15Å; S569-S572 PolarHBondContact O-OG 2.97Å; L570-S572 VanDerWaalsContact C-N 3.35Å; L570-S572 PolarHBondContact O-N 3.4Å; S572-H575 PolarHBondContact O-CD2 3.42Å; S572-H575 PolarHBondContact O-NE2 3.41Å |
| 573 | V | 94.4 | Very high | 89.2 | Confident | 15 Ų | 15 | 49.4 Ų | 49.4 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -80 | -36.7 | 176.5 | 178 | 0 | 0 | 0 | 0 | 111 | Y300 V301 R304 S569 L570 A571 H575 | Y300-V573 HydrophobicContact CE1-CG1 4.2Å; V301-V573 HydrophobicContact CG1-CG2 3.95Å; V301-V573 HydrophobicContact CG2-CG2 4.34Å; R304-V573 HydrophobicContact CG-CG1 4.38Å; R304-V573 PolarHBondContact NE-O 2.7Å; R304-V573 PolarHBondContact NH2-O 2.9Å; S569-V573 PolarHBondContact O-N 3.18Å; L570-V573 CarbonylContact O-C 3.35Å; L570-V573 PolarHBondContact O-N 3.01Å; L570-V573 VanDerWaalsContact O-N 3.12Å; A571-V573 VanDerWaalsContact C-N 3.28Å; A571-V573 PolarHBondContact O-N 3.45Å; V573-H575 VanDerWaalsContact C-N 3.34Å |
| 574 | Y | 93.8 | Very high | 87.5 | Confident | 122 Ų | 122 | 53 Ų | 53 | 48% | 0.478 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -84.1 | -9.7 | 178.2 | -65.6 | -28.4 | 0 | 0 | 0 | 113.9 | L570 A571 K576 F581 | L570-Y574 HydrophobicContact CB-CD2 4.4Å; L570-Y574 HydrophobicContact CB-CE2 4.26Å; L570-Y574 HydrophobicContact CD2-CE2 4.39Å; L570-Y574 WeakPolarHBondContact O-CB 3.46Å; L570-Y574 PolarHBondContact O-N 3.35Å; A571-Y574 PolarHBondContact O-N 2.8Å; Y574-K576 PolarHBondContact O-N 3.2Å; Y574-F581 HydrophobicContact CD2-CD1 4.31Å; Y574-F581 HydrophobicContact CD2-CE1 4.22Å; Y574-F581 HydrophobicContact CD2-CE2 4.43Å; Y574-F581 HydrophobicContact CD2-CG 4.46Å; Y574-F581 HydrophobicContact CD2-CZ 4.28Å |
| 575 | H | 93.8 | Very high | 85.3 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 15% | 0.153 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 41 | -170.1 | -61.3 | 161.8 | 0 | 0 | 0 | 111.5 | R304 I555 L563 A571 S572 V573 | R304-H575 VanDerWaalsContact CZ-ND1 3.33Å; R304-H575 PolarHBondContact NH1-CE1 3.22Å; R304-H575 PolarHBondContact NH1-ND1 3.13Å; R304-H575 VanDerWaalsContact NH1-ND1 3.16Å; R304-H575 PolarHBondContact NH2-ND1 3.1Å; R304-H575 VanDerWaalsContact NH2-ND1 3.2Å; R304-H575 PolarHBondContact O-NE2 3.38Å; I555-H575 HydrophobicContact CD1-CB 4.19Å; L563-H575 HydrophobicContact CD1-CB 4.35Å; A571-H575 WeakPolarHBondContact O-CA 3.48Å; A571-H575 PolarHBondContact O-N 3.25Å; S572-H575 PolarHBondContact O-CD2 3.42Å; S572-H575 PolarHBondContact O-NE2 3.41Å; V573-H575 VanDerWaalsContact C-N 3.34Å |
| 576 | K | 91.4 | Very high | 83.1 | Confident | 119 Ų | 119 | 65 Ų | 65 | 52% | 0.517 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -136.8 | 144 | -180 | -71.4 | -178.9 | -176.6 | -177.4 | 0 | 109.5 | A571 Y574 A580 F581 | A571-K576 VanDerWaalsContact CA-O 3.32Å; A571-K576 WeakPolarHBondContact CA-O 3.26Å; A571-K576 VanDerWaalsContact CB-O 3.27Å; A571-K576 WeakPolarHBondContact CB-O 3.49Å; A571-K576 PolarHBondContact O-N 2.92Å; Y574-K576 PolarHBondContact O-N 3.2Å; K576-A580 HydrophobicContact CB-CB 4.32Å; K576-F581 HydrophobicContact CB-CD1 4.41Å; K576-F581 HydrophobicContact CB-CE1 4.49Å |
| 577 | P | 87.4 | Confident | 80.8 | Confident | 33 Ų | 33 | 64.6 Ų | 64.6 | 21% | 0.214 | 37% | 0.366 | C | S | . | . | trans | -65.1 | 149.8 | 176 | 29.8 | -33.7 | 0 | 0 | 0 | 109.6 | L559 E562 N579 A580 F581 | L559-P577 HydrophobicContact CD1-CB 4.31Å; L559-P577 HydrophobicContact CD1-CG 4.28Å; E562-P577 WeakPolarHBondContact OE1-CB 3.38Å; P577-N579 PolarHBondContact O-N 2.92Å; P577-N579 VanDerWaalsContact O-N 3.14Å; P577-A580 HydrophobicContact CG-CB 4.19Å; P577-A580 VanDerWaalsContact O-CB 3.31Å; P577-A580 WeakPolarHBondContact O-CB 3.37Å; P577-A580 PolarHBondContact O-N 3.3Å; P577-F581 WeakPolarHBondContact O-CE1 3.43Å | ||
| 578 | P | 84.6 | Confident | 78.5 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 8% | 0.078 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -52.3 | -37.9 | -179.6 | -26.2 | 32.9 | 0 | 0 | 0 | 113.7 | A571 A580 F581 V582 I588 | A571-P578 HydrophobicContact CB-CG 3.91Å; P578-A580 PolarHBondContact O-N 2.92Å; P578-F581 PolarHBondContact O-N 3.2Å; P578-V582 WeakPolarHBondContact O-CB 3.5Å; P578-V582 WeakPolarHBondContact O-CG2 3.31Å; P578-V582 PolarHBondContact O-N 3.34Å; P578-I588 HydrophobicContact CB-CD1 3.77Å; P578-I588 HydrophobicContact CB-CG2 4.13Å; P578-I588 HydrophobicContact CG-CG2 4.25Å |
| 579 | N | 81.7 | Confident | 76.6 | Confident | 84 Ų | 84 | 71 Ų | 71 | 45% | 0.449 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -62.6 | -14.5 | -179 | -61.2 | 3.6 | 0 | 0 | 0 | 113.5 | P577 I588 | P577-N579 PolarHBondContact O-N 2.92Å; P577-N579 VanDerWaalsContact O-N 3.14Å; N579-I588 WeakPolarHBondContact OD1-CB 3.28Å; N579-I588 VanDerWaalsContact OD1-CG2 3.32Å; N579-I588 WeakPolarHBondContact OD1-CG2 3.37Å |
| 580 | A | 83.8 | Confident | 74.6 | Confident | 66 Ų | 66 | 78.9 Ų | 78.9 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -80.9 | -15.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K576 P577 P578 | K576-A580 HydrophobicContact CB-CB 4.32Å; P577-A580 HydrophobicContact CG-CB 4.19Å; P577-A580 VanDerWaalsContact O-CB 3.31Å; P577-A580 WeakPolarHBondContact O-CB 3.37Å; P577-A580 PolarHBondContact O-N 3.3Å; P578-A580 PolarHBondContact O-N 2.92Å |
| 581 | F | 83.8 | Confident | 73 | Confident | 79 Ų | 79 | 77.3 Ų | 77.3 | 35% | 0.346 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143 | -1.8 | -175.6 | 63.3 | -92.1 | 0 | 0 | 0 | 114.9 | L570 A571 Y574 K576 P577 P578 | L570-F581 HydrophobicContact CB-CE2 4.16Å; L570-F581 HydrophobicContact CB-CZ 4.19Å; A571-F581 HydrophobicContact CB-CE1 4.18Å; A571-F581 HydrophobicContact CB-CZ 4.02Å; Y574-F581 HydrophobicContact CD2-CD1 4.31Å; Y574-F581 HydrophobicContact CD2-CE1 4.22Å; Y574-F581 HydrophobicContact CD2-CE2 4.43Å; Y574-F581 HydrophobicContact CD2-CG 4.46Å; Y574-F581 HydrophobicContact CD2-CZ 4.28Å; K576-F581 HydrophobicContact CB-CD1 4.41Å; K576-F581 HydrophobicContact CB-CE1 4.49Å; P577-F581 WeakPolarHBondContact O-CE1 3.43Å; P578-F581 PolarHBondContact O-N 3.2Å |
| 582 | V | 77.4 | Confident | 71.3 | Confident | 60 Ų | 60 | 81.8 Ų | 81.8 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | trans | -109 | 111.8 | 173 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | P578 I588 | P578-V582 WeakPolarHBondContact O-CB 3.5Å; P578-V582 WeakPolarHBondContact O-CG2 3.31Å; P578-V582 PolarHBondContact O-N 3.34Å; V582-I588 HydrophobicContact CB-CD1 4.35Å; V582-I588 HydrophobicContact CG1-CD1 4.36Å | ||
| 583 | E | 68.2 | Low | 70.1 | Confident | 193 Ų | 193 | 82 Ų | 82 | 90% | 0.902 | 42% | 0.42 | S | S | * | . | trans | -81.9 | 146.7 | 173.7 | -68.9 | -176.6 | 174.6 | 0 | 0 | 111 | S585 | E583-S585 PolarHBondContact O-N 3.22Š| ||
| 584 | G | 58.1 | Low | 68.5 | Low | 75 Ų | 75 | 82.4 Ų | 82.4 | 77% | 0.773 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 88.3 | -7.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | H586 | G584-H586 PolarHBondContact O-N 3.41Å; G584-H586 VanDerWaalsContact O-N 3.11Å |
| 585 | S | 48.6 | Very low | 66.6 | Low | 63 Ų | 63 | 82.3 Ų | 82.3 | 44% | 0.441 | 43% | 0.429 | S | S | . | . | trans | -82.1 | 90.7 | 175.1 | -65.5 | 0 | 0 | 0 | 0 | 111.8 | E583 G587 | E583-S585 PolarHBondContact O-N 3.22Å; S585-G587 PolarHBondContact O-N 3.31Å | ||
| 586 | H | 46.1 | Very low | 64.1 | Low | 203 Ų | 203 | 86.1 Ų | 86.1 | 94% | 0.94 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 8.8 | 165.9 | -83.3 | -66.6 | 0 | 0 | 0 | 114.1 | G584 | G584-H586 PolarHBondContact O-N 3.41Å; G584-H586 VanDerWaalsContact O-N 3.11Å |
| 587 | G | 45.8 | Very low | 61.6 | Low | 15 Ų | 15 | 87.8 Ų | 87.8 | 16% | 0.155 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.9 | 2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | S585 H589 | S585-G587 PolarHBondContact O-N 3.31Å; G587-H589 PolarHBondContact O-CD2 3.01Å; G587-H589 PolarHBondContact O-N 2.89Å |
| 588 | I | 47.3 | Very low | 58.8 | Low | 44 Ų | 44 | 88.7 Ų | 88.7 | 23% | 0.226 | 47% | 0.472 | C | S | . | . | trans | -75.6 | 86.4 | 173.7 | -58.4 | 167.1 | 0 | 0 | 0 | 107.6 | P578 N579 V582 R590 | P578-I588 HydrophobicContact CB-CD1 3.77Å; P578-I588 HydrophobicContact CB-CG2 4.13Å; P578-I588 HydrophobicContact CG-CG2 4.25Å; N579-I588 WeakPolarHBondContact OD1-CB 3.28Å; N579-I588 VanDerWaalsContact OD1-CG2 3.32Å; N579-I588 WeakPolarHBondContact OD1-CG2 3.37Å; V582-I588 HydrophobicContact CB-CD1 4.35Å; V582-I588 HydrophobicContact CG1-CD1 4.36Å; I588-R590 PolarHBondContact O-N 3.15Å | ||
| 589 | H | 50.7 | Low | 55.9 | Low | 132 Ų | 132 | 93.7 Ų | 93.7 | 61% | 0.611 | 51% | 0.507 | S | S | * | . | trans | -53.8 | 131.3 | 166.9 | -75.2 | -85.7 | 0 | 0 | 0 | 108.5 | P192 G587 K591 | P192-H589 WeakPolarHBondContact CB-NE2 3.46Å; G587-H589 PolarHBondContact O-CD2 3.01Å; G587-H589 PolarHBondContact O-N 2.89Å; H589-K591 PolarHBondContact O-N 3.31Å | ||
| 590 | R | 49.9 | Very low | 53.2 | Low | 206 Ų | 206 | 95.5 Ų | 95.5 | 78% | 0.777 | 52% | 0.521 | S | S | * | . | trans | -56.2 | 107.8 | 166.6 | -82.8 | -174.3 | 176.3 | 174.3 | -1.4 | 107.9 | I588 H592 | I588-R590 PolarHBondContact O-N 3.15Å; R590-H592 PolarHBondContact O-N 2.89Å | ||
| 591 | K | 59 | Low | 50.3 | Low | 68 Ų | 68 | 99.9 Ų | 99.9 | 30% | 0.296 | 54% | 0.536 | S | S | . | . | trans | -77.9 | 122.5 | 173.8 | -65.8 | -172.6 | -177.1 | -175.5 | 0 | 106.9 | N228 E562 C565 H589 | N228-K591 PolarHBondContact OD1-NZ 3.4Å; E562-K591 WeakPolarHBondContact CA-O 3.39Å; C565-K591 HydrophobicContact CB-CB 3.81Å; C565-K591 HydrophobicContact CB-CD 4.48Å; H589-K591 PolarHBondContact O-N 3.31Å | ||
| 592 | H | 59 | Low | 47.4 | Very low | 96 Ų | 96 | 101.1 Ų | 101.1 | 44% | 0.444 | 56% | 0.56 | S | S | . | * | trans | -107.6 | 149.2 | 171.4 | -156.1 | -77.9 | 0 | 0 | 0 | 109 | D561 R590 | D561-H592 IonicContact OD2-CE1 2.75Å; D561-H592 PolarHBondContact OD2-CE1 2.86Å; D561-H592 IonicContact OD2-NE2 3.68Å; R590-H592 PolarHBondContact O-N 2.89Å | ||
| 593 | L | 67.3 | Low | 44.8 | Very low | 5 Ų | 5 | 102.1 Ų | 102.1 | 3% | 0.026 | 58% | 0.582 | C | S | . | * | P | Polyproline II helix | trans | -58.1 | 141.3 | 167.1 | -76.9 | 177.2 | 0 | 0 | 0 | 109.7 | K265 E268 D561 I564 I595 | K265-L593 HydrophobicContact CB-CD2 4.21Å; K265-L593 HydrophobicContact CG-CD2 4.05Å; E268-L593 HydrophobicContact CG-CB 4.19Å; E268-L593 HydrophobicContact CG-CD1 4Å; E268-L593 HydrophobicContact CG-CD2 4.17Å; E268-L593 HydrophobicContact CG-CG 4.36Å; D561-L593 HydrophobicContact CB-CB 4.22Å; D561-L593 HydrophobicContact CB-CD1 3.92Å; D561-L593 HydrophobicContact CB-CG 4.03Å; D561-L593 WeakPolarHBondContact OD1-CD1 3.48Å; I564-L593 HydrophobicContact CB-CD1 4.35Å; I564-L593 HydrophobicContact CG2-CD1 4.25Å; I564-L593 HydrophobicContact CG2-CD2 3.95Å; L593-I595 PolarHBondContact O-N 3.23Å |
| 594 | P | 60.4 | Low | 42.6 | Very low | 23 Ų | 23 | 100.2 Ų | 100.2 | 15% | 0.149 | 58% | 0.579 | C | S | . | * | P | Polyproline II helix | trans | -55.9 | 133.2 | 175.7 | -22.1 | 32.1 | 0 | 0 | 0 | 110.9 | K265 L269 | K265-P594 HydrophobicContact CG-CG 4.06Å; L269-P594 HydrophobicContact CD1-CB 4.5Å; L269-P594 HydrophobicContact CD1-CG 4.33Å; L269-P594 HydrophobicContact CD2-CB 3.45Å; L269-P594 VanDerWaalsContact CD2-CB 3.45Å; L269-P594 HydrophobicContact CD2-CG 4.16Å; L269-P594 HydrophobicContact CG-CB 4.01Å; L269-P594 HydrophobicContact CG-CG 4.22Å |
| 595 | I | 54.4 | Low | 40.9 | Very low | 119 Ų | 119 | 101.8 Ų | 101.8 | 61% | 0.61 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 130.5 | 174 | -56.9 | 173.2 | 0 | 0 | 0 | 107.4 | L593 H597 | L593-I595 PolarHBondContact O-N 3.23Å; I595-H597 VanDerWaalsContact C-N 3.33Å; I595-H597 PolarHBondContact O-N 2.9Å |
| 596 | H | 41.5 | Very low | 39.8 | Very low | 114 Ų | 114 | 104.8 Ų | 104.8 | 53% | 0.528 | 60% | 0.595 | S | S | . | * | trans | -64.7 | 92.2 | 172.4 | -173 | -66.9 | 0 | 0 | 0 | 109.5 | G598 | H596-G598 VanDerWaalsContact C-N 3.33Å; H596-G598 PolarHBondContact O-N 3.37Å | ||
| 597 | H | 38.8 | Very low | 38.8 | Very low | 154 Ų | 154 | 102.1 Ų | 102.1 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | trans | -69 | 92.6 | 171.1 | -81.7 | -72.6 | 0 | 0 | 0 | 109 | I595 S599 | I595-H597 VanDerWaalsContact C-N 3.33Å; I595-H597 PolarHBondContact O-N 2.9Å; H597-S599 PolarHBondContact O-N 3.18Å | ||
| 598 | G | 28.9 | Very low | 37.7 | Very low | 52 Ų | 52 | 104.5 Ų | 104.5 | 54% | 0.536 | 62% | 0.618 | S | S | . | * | trans | -54.4 | 124.4 | 146.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | H596 T600 | H596-G598 VanDerWaalsContact C-N 3.33Å; H596-G598 PolarHBondContact O-N 3.37Å; G598-T600 PolarHBondContact O-N 3.12Å; G598-T600 VanDerWaalsContact O-N 3.08Å | ||
| 599 | S | 23.8 | Very low | 36.5 | Very low | 116 Ų | 116 | 109.3 Ų | 109.3 | 81% | 0.811 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -43.6 | 110.9 | -168.6 | 63.6 | 0 | 0 | 0 | 0 | 114 | H597 | H597-S599 PolarHBondContact O-N 3.18Š|
| 600 | T | 24.5 | Very low | 35.1 | Very low | 122 Ų | 122 | 109.7 Ų | 109.7 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | trans | -159.2 | 135 | 153.9 | -27.2 | 0 | 0 | 0 | 0 | 111.2 | G598 | G598-T600 PolarHBondContact O-N 3.12Å; G598-T600 VanDerWaalsContact O-N 3.08Å | ||
| 601 | D | 23.9 | Very low | 33.8 | Very low | 159 Ų | 159 | 106.8 Ų | 106.8 | 85% | 0.85 | 67% | 0.667 | S | S | * | * | trans | -10.1 | 137.4 | -178.6 | -81.7 | -38.6 | 0 | 0 | 0 | 122.9 | ||||
| 602 | A | 21.4 | Very low | 32.3 | Very low | 105 Ų | 105 | 108.4 Ų | 108.4 | 87% | 0.868 | 69% | 0.693 | S | S | * | * | trans | -66.8 | 123.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 603 | G | 23 | Very low | 30.6 | Very low | 80 Ų | 80 | 110.2 Ų | 110.2 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | -120.8 | 103.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 604 | D | 21.6 | Very low | 28.5 | Very low | 154 Ų | 154 | 118 Ų | 118 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | -73.6 | 138.9 | 179.9 | -161.3 | 7.6 | 0 | 0 | 0 | 111.5 | ||||
| 605 | S | 23 | Very low | 27 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -162.1 | 115.1 | 166.7 | -78 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 606 | P | 25 | Very low | 25.6 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 133.6 | -177.1 | 27.8 | -22.2 | 0 | 0 | 0 | 112.5 | ||
| 607 | V | 25.5 | Very low | 24.8 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 129.5 | 179.7 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | ||
| 608 | G | 22.9 | Very low | 24.3 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 146.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 609 | T | 21.1 | Very low | 24.2 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -72 | 128.3 | 175.1 | 35.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 610 | T | 22.8 | Very low | 24.3 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 86% | 0.859 | 84% | 0.836 | S | S | * | * | trans | -113 | 127.3 | 166.2 | 42 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 611 | T | 22.1 | Very low | 24.4 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 89% | 0.89 | 84% | 0.838 | S | S | * | * | trans | -78.1 | 112.7 | 179.1 | 37.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 612 | A | 26.3 | Very low | 24.6 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -98.2 | 128.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 613 | T | 24.3 | Very low | 24.9 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 82% | 0.816 | 82% | 0.818 | S | S | * | * | trans | -80.3 | 139.9 | -177 | 37.7 | 0 | 0 | 0 | 0 | 112.6 | L615 | T613-L615 PolarHBondContact O-N 2.83Š| ||
| 614 | N | 23.7 | Very low | 25.4 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | trans | -45.7 | 118.4 | 175.6 | -74.5 | -26.4 | 0 | 0 | 0 | 113.4 | ||||
| 615 | L | 27.6 | Very low | 25.7 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -120.1 | 121.6 | 160 | -76 | 170.2 | 0 | 0 | 0 | 108.3 | T613 Q617 | T613-L615 PolarHBondContact O-N 2.83Å; L615-Q617 PolarHBondContact O-N 3.38Å | ||
| 616 | E | 25.9 | Very low | 26 | Very low | 200 Ų | 200 | 137.8 Ų | 137.8 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | -59.7 | 115.6 | -178.9 | -66 | 172.9 | 138.8 | 0 | 0 | 110.7 | ||||
| 617 | Q | 25.6 | Very low | 26.4 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -85.7 | 136.3 | 175.9 | -81.1 | -178.9 | -9.3 | 0 | 0 | 111.6 | L615 | L615-Q617 PolarHBondContact O-N 3.38Š| ||
| 618 | P | 27.9 | Very low | 26.5 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -71.1 | 142.4 | 176.6 | -12.2 | 27.1 | 0 | 0 | 0 | 112.6 | V620 | P618-V620 PolarHBondContact O-N 3.01Å; P618-V620 VanDerWaalsContact O-N 3.07Å | ||
| 619 | Q | 26.7 | Very low | 26.8 | Very low | 199 Ų | 199 | 134.3 Ų | 134.3 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | trans | -60.3 | 103.2 | 176.9 | -71.5 | 175.7 | -27.7 | 0 | 0 | 112.1 | ||||
| 620 | V | 26.4 | Very low | 27.6 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 124.2 | 170.5 | -179 | 0 | 0 | 0 | 0 | 109.5 | P618 | P618-V620 PolarHBondContact O-N 3.01Å; P618-V620 VanDerWaalsContact O-N 3.07Å |
| 621 | I | 25.5 | Very low | 28 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 119.8 | 174.8 | -61 | 171.6 | 0 | 0 | 0 | 107.9 | ||
| 622 | P | 27.8 | Very low | 28.3 | Very low | 83 Ų | 83 | 127 Ų | 127 | 54% | 0.539 | 72% | 0.718 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 138.6 | -180 | -12.2 | 25.8 | 0 | 0 | 0 | 111.4 | ||
| 623 | S | 28 | Very low | 28.6 | Very low | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 141.6 | 172.5 | 45.9 | 0 | 0 | 0 | 0 | 111.2 | G625 | S623-G625 PolarHBondContact O-N 3.43Š|
| 624 | Q | 34.1 | Very low | 29.1 | Very low | 190 Ų | 190 | 124.1 Ų | 124.1 | 89% | 0.888 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 5.2 | -172.9 | -74.5 | -179.5 | -26.7 | 0 | 0 | 116.1 | ||
| 625 | G | 27.5 | Very low | 29.5 | Very low | 61 Ų | 61 | 120.7 Ų | 120.7 | 63% | 0.629 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -26.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S623 L627 | S623-G625 PolarHBondContact O-N 3.43Å; G625-L627 PolarHBondContact O-N 3.49Å |
| 626 | D | 30 | Very low | 29.6 | Very low | 136 Ų | 136 | 120 Ų | 120 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77.9 | -21 | -170.5 | -105.2 | -2.9 | 0 | 0 | 0 | 114.6 | ||
| 627 | L | 32.4 | Very low | 29.6 | Very low | 85 Ų | 85 | 112.7 Ų | 112.7 | 45% | 0.445 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -79.6 | -25.3 | -171.1 | -141 | 82.3 | 0 | 0 | 0 | 113.3 | G625 | G625-L627 PolarHBondContact O-N 3.49Å |
| 628 | L | 28.4 | Very low | 29.8 | Very low | 132 Ų | 132 | 109.7 Ų | 109.7 | 69% | 0.691 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -86.6 | -32.9 | -174.3 | -162.1 | 66.6 | 0 | 0 | 0 | 112.6 | D630 L631 | L628-D630 PolarHBondContact O-N 3.04Å; L628-L631 PolarHBondContact O-N 3.32Å |
| 629 | G | 29.7 | Very low | 29.7 | Very low | 49 Ų | 49 | 110.2 Ų | 110.2 | 51% | 0.505 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -59 | -32.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L631 L632 | G629-L631 PolarHBondContact O-N 3.08Å; G629-L632 PolarHBondContact O-N 2.81Å |
| 630 | D | 37.8 | Very low | 29.5 | Very low | 59 Ų | 59 | 107.4 Ų | 107.4 | 32% | 0.316 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -69.5 | -29.6 | -177.2 | -106.3 | 3.6 | 0 | 0 | 0 | 113.7 | R108 K147 L628 L632 | R108-D630 PolarHBondContact NH2-O 2.96Å; K147-D630 IonicContact NZ-OD2 3.5Å; K147-D630 PolarHBondContact NZ-OD2 3.43Å; L628-D630 PolarHBondContact O-N 3.04Å; D630-L632 VanDerWaalsContact C-N 3.26Å; D630-L632 PolarHBondContact O-N 3.38Å |
| 631 | L | 29.8 | Very low | 29.4 | Very low | 70 Ų | 70 | 108.7 Ų | 108.7 | 37% | 0.366 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -73 | -16.2 | -179.3 | -86.1 | 166.2 | 0 | 0 | 0 | 113.8 | L71 L628 G629 N633 | L71-L631 HydrophobicContact CD1-CD1 4.14Å; L628-L631 PolarHBondContact O-N 3.32Å; G629-L631 PolarHBondContact O-N 3.08Å; L631-N633 VanDerWaalsContact C-N 3.26Å; L631-N633 PolarHBondContact O-N 2.89Å |
| 632 | L | 28.7 | Very low | 29.3 | Very low | 147 Ų | 147 | 107.2 Ų | 107.2 | 77% | 0.77 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -73.9 | -11.1 | -178.7 | -70.4 | 171 | 0 | 0 | 0 | 114.1 | G629 D630 L634 | G629-L632 PolarHBondContact O-N 2.81Å; D630-L632 VanDerWaalsContact C-N 3.26Å; D630-L632 PolarHBondContact O-N 3.38Å; L632-L634 PolarHBondContact O-N 3.48Å |
| 633 | N | 33.4 | Very low | 29.1 | Very low | 101 Ų | 101 | 108.9 Ų | 108.9 | 54% | 0.54 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -77.2 | 18.7 | 176.4 | -80.4 | -22.1 | 0 | 0 | 0 | 114.9 | L631 D635 | L631-N633 VanDerWaalsContact C-N 3.26Å; L631-N633 PolarHBondContact O-N 2.89Å; N633-D635 PolarHBondContact O-N 2.92Å; N633-D635 VanDerWaalsContact O-N 3.16Å |
| 634 | L | 34.2 | Very low | 28.8 | Very low | 73 Ų | 73 | 113.1 Ų | 113.1 | 38% | 0.382 | 66% | 0.655 | S | S | . | * | trans | -85.3 | 63.5 | 170.2 | -79.4 | 165.8 | 0 | 0 | 0 | 110.5 | L632 L636 | L632-L634 PolarHBondContact O-N 3.48Å; L634-L636 PolarHBondContact O-N 3.14Å | ||
| 635 | D | 31.5 | Very low | 28.3 | Very low | 96 Ų | 96 | 110.8 Ų | 110.8 | 51% | 0.513 | 65% | 0.653 | S | S | . | * | trans | -81.7 | 103.6 | 174.5 | -160.7 | 11.1 | 0 | 0 | 0 | 109.8 | N633 G637 | N633-D635 PolarHBondContact O-N 2.92Å; N633-D635 VanDerWaalsContact O-N 3.16Å; D635-G637 PolarHBondContact O-N 3.06Å | ||
| 636 | L | 29.3 | Very low | 27.9 | Very low | 146 Ų | 146 | 113.2 Ų | 113.2 | 76% | 0.764 | 66% | 0.661 | S | S | * | * | trans | -85.2 | 84.1 | 168.8 | -71.3 | 170 | 0 | 0 | 0 | 107.3 | L634 | L634-L636 PolarHBondContact O-N 3.14Š| ||
| 637 | G | 26.1 | Very low | 27.7 | Very low | 47 Ų | 47 | 112.6 Ų | 112.6 | 49% | 0.485 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 141.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D635 | D635-G637 PolarHBondContact O-N 3.06Š|
| 638 | P | 30.8 | Very low | 27.1 | Very low | 121 Ų | 121 | 117.2 Ų | 117.2 | 79% | 0.786 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 153.6 | 174.9 | 26.7 | -31.7 | 0 | 0 | 0 | 111.4 | ||
| 639 | P | 24.7 | Very low | 26.8 | Very low | 127 Ų | 127 | 120.4 Ų | 120.4 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -63 | 139.6 | -173.3 | 22.9 | -32 | 0 | 0 | 0 | 113.1 | N641 | P639-N641 PolarHBondContact O-N 3.06Š|
| 640 | V | 23.9 | Very low | 26.4 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 121.8 | -179.2 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 641 | N | 23 | Very low | 25.7 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -92 | 127.9 | 174.3 | -146.7 | 9.2 | 0 | 0 | 0 | 110 | P639 | P639-N641 PolarHBondContact O-N 3.06Š|
| 642 | V | 23.8 | Very low | 25.4 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 147.2 | -177.3 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | ||
| 643 | P | 23.5 | Very low | 25.3 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 150.1 | -146.2 | 28 | -33.1 | 0 | 0 | 0 | 116.3 | ||
| 644 | Q | 21.8 | Very low | 24.8 | Very low | 197 Ų | 197 | 131.4 Ų | 131.4 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 137.5 | 177.2 | -71.8 | 175.5 | -63.2 | 0 | 0 | 113.2 | ||
| 645 | V | 23.7 | Very low | 24.2 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 130.1 | 160.6 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | ||
| 646 | S | 20.2 | Very low | 23.7 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -49 | 137.6 | -177.8 | -44.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 647 | S | 24 | Very low | 23.4 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -173.5 | 143.4 | 131.3 | 43.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 648 | M | 20 | Very low | 23.2 | Very low | 182 Ų | 182 | 138 Ų | 138 | 90% | 0.897 | 84% | 0.842 | S | S | * | * | trans | -62.9 | 141.9 | -176.7 | -60.9 | 170 | 119.8 | 0 | 0 | 113.3 | ||||
| 649 | Q | 23.4 | Very low | 22.9 | Very low | 198 Ų | 198 | 135.7 Ų | 135.7 | 93% | 0.925 | 84% | 0.84 | S | S | * | * | 172.7 | 135.2 | 119.5 | -97 | 174.1 | -26.3 | 0 | 0 | 111.1 | |||||
| 650 | M | 20.5 | Very low | 22.8 | Very low | 199 Ų | 199 | 138 Ų | 138 | 98% | 0.98 | 85% | 0.845 | S | S | * | * | trans | -64.8 | 131.6 | 174.2 | -82.2 | -138.6 | -76.7 | 0 | 0 | 111.9 | ||||
| 651 | G | 23.8 | Very low | 22.8 | Very low | 61 Ų | 61 | 138.7 Ų | 138.7 | 63% | 0.629 | 84% | 0.844 | S | S | * | * | trans | -176.6 | 118.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V653 | G651-V653 PolarHBondContact O-N 2.84Š| ||
| 652 | A | 22.7 | Very low | 22.8 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 93% | 0.926 | 84% | 0.843 | S | S | * | * | trans | -59.6 | 119.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 653 | V | 26.2 | Very low | 22.7 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 81% | 0.812 | 85% | 0.849 | S | S | * | * | trans | -127.2 | 122 | 173.7 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | G651 | G651-V653 PolarHBondContact O-N 2.84Š| ||
| 654 | D | 24.6 | Very low | 22.8 | Very low | 152 Ų | 152 | 140 Ų | 140 | 81% | 0.813 | 85% | 0.853 | S | S | * | * | trans | -52.5 | 129.2 | 177.6 | -169.5 | 8.1 | 0 | 0 | 0 | 112.8 | ||||
| 655 | L | 21.6 | Very low | 22.7 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 85% | 0.853 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -107.8 | 41.6 | -163.7 | -170.5 | 69.2 | 0 | 0 | 0 | 111.7 | ||
| 656 | L | 20.9 | Very low | 22.9 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 88% | 0.88 | 85% | 0.847 | S | S | * | * | trans | -152.6 | 79.8 | 171.3 | -72.2 | -179.4 | 0 | 0 | 0 | 111.4 | ||||
| 657 | G | 22 | Very low | 23 | Very low | 78 Ų | 78 | 136.6 Ų | 136.6 | 80% | 0.804 | 85% | 0.847 | S | S | * | * | trans | -151.7 | 104 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 658 | G | 22.7 | Very low | 22.9 | Very low | 91 Ų | 91 | 140.5 Ų | 140.5 | 94% | 0.938 | 85% | 0.849 | S | S | * | * | trans | -65 | 142 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 659 | G | 24 | Very low | 23.2 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 85% | 0.846 | S | S | * | * | trans | -150 | 88.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 660 | L | 22.2 | Very low | 23.1 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | trans | -134.9 | 17.5 | 164.2 | -126.6 | 152.9 | 0 | 0 | 0 | 112 | ||||
| 661 | D | 23.6 | Very low | 23.3 | Very low | 156 Ų | 156 | 131 Ų | 131 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -123.7 | 58.1 | 179.3 | -132.2 | 3.9 | 0 | 0 | 0 | 110.7 | ||||
| 662 | S | 24.2 | Very low | 23.3 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | -121.2 | 61.9 | 170.3 | -74.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 663 | L | 20.4 | Very low | 23.3 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | -156.8 | 37.7 | 168 | -102.9 | -178.3 | 0 | 0 | 0 | 113.9 | ||||
| 664 | V | 25.6 | Very low | 23.4 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -140.3 | 110.4 | 158.9 | -174.6 | 0 | 0 | 0 | 0 | 109 | ||
| 665 | G | 21.1 | Very low | 23.2 | Very low | 70 Ų | 70 | 129 Ų | 129 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -69.6 | 160.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 666 | Q | 26.5 | Very low | 23.3 | Very low | 197 Ų | 197 | 126.8 Ų | 126.8 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -148.9 | 113.7 | 149.5 | -106.5 | 172.9 | 25.6 | 0 | 0 | 110.4 | ||||
| 667 | S | 24.1 | Very low | 23.5 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | 3.7 | 124 | 151.7 | -46.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 668 | F | 20.1 | Very low | 23.5 | Very low | 204 Ų | 204 | 128.4 Ų | 128.4 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -30.6 | 125.7 | 153 | -73.8 | -100.4 | 0 | 0 | 0 | 115.9 | ||||
| 669 | I | 26.7 | Very low | 23.8 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -147.1 | 123.8 | 136.4 | -51.2 | -178.6 | 0 | 0 | 0 | 109 | ||||
| 670 | P | 22 | Very low | 23.8 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | trans | -97.2 | 146.9 | 174.9 | 36.3 | -29.2 | 0 | 0 | 0 | 111.5 | ||||
| 671 | S | 24.3 | Very low | 24.3 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 167.2 | 103.9 | 152.4 | -76.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 672 | S | 23.2 | Very low | 24.3 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | 83.2 | 95 | 77.3 | 73.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 673 | V | 23.6 | Very low | 24.5 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | 61.1 | 168.8 | 132.7 | -128 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 674 | P | 28.1 | Very low | 24.7 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | -129.9 | 176.9 | -95.6 | 44.6 | -28.4 | 0 | 0 | 0 | 115.1 | |||||
| 675 | A | 21.3 | Very low | 24.5 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | trans | 73.6 | 147.2 | 137.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 676 | T | 22.2 | Very low | 24.8 | Very low | 115 Ų | 115 | 127 Ų | 127 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 86.9 | 103.3 | 151.9 | 75.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 677 | F | 26 | Very low | 24.6 | Very low | 198 Ų | 198 | 122.3 Ų | 122.3 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | 159.3 | 117.8 | 103.6 | -96.1 | -79.7 | 0 | 0 | 0 | 110 | |||||
| 678 | A | 22.2 | Very low | 24.5 | Very low | 82 Ų | 82 | 122.7 Ų | 122.7 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -75 | -172.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 679 | P | 29.1 | Very low | 24.6 | Very low | 107 Ų | 107 | 116.1 Ų | 116.1 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | cis | -141 | 164.4 | -10.5 | 34.8 | -14.2 | 0 | 0 | 0 | 115.4 | ||||
| 680 | S | 22.7 | Very low | 24.5 | Very low | 107 Ų | 107 | 116 Ų | 116 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 73.4 | 172.9 | 135.1 | 79.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 681 | P | 32.5 | Very low | 24.5 | Very low | 111 Ų | 111 | 116.9 Ų | 116.9 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | -131.3 | 170.1 | -99.2 | 32.1 | -9.8 | 0 | 0 | 0 | 113.7 | |||||
| 682 | T | 24.2 | Very low | 24.5 | Very low | 145 Ų | 145 | 119 Ų | 119 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | -178.6 | 156.4 | 141 | 28.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 683 | P | 28.1 | Very low | 24.5 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | trans | -113 | 154 | -163.7 | 39.1 | -26.4 | 0 | 0 | 0 | 114.3 | ||||
| 684 | A | 24.1 | Very low | 24.5 | Very low | 85 Ų | 85 | 124.1 Ų | 124.1 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | -169.5 | 102.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 685 | V | 22.2 | Very low | 24.2 | Very low | 143 Ų | 143 | 127.3 Ų | 127.3 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | 47.1 | 92.7 | 97 | -171.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 686 | V | 27.6 | Very low | 24.3 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 87% | 0.873 | 78% | 0.778 | S | S | * | * | trans | -121.9 | 116.9 | 158.1 | -163.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 687 | S | 21.9 | Very low | 24.3 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | -79.7 | 144.5 | -177 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 688 | S | 22.4 | Very low | 24.2 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 63.5 | 118.3 | 135.9 | -159.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 689 | G | 22.4 | Very low | 24.2 | Very low | 66 Ų | 66 | 127.2 Ų | 127.2 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | trans | 97.8 | 96.4 | 132.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 690 | L | 24.3 | Very low | 24 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -174.1 | 128.3 | 135.6 | -95.5 | 172.8 | 0 | 0 | 0 | 109.7 | ||||
| 691 | N | 23.2 | Very low | 24 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 66% | 0.658 | 79% | 0.785 | S | S | * | * | trans | 78.8 | 71.1 | 153.6 | -66.3 | -7.4 | 0 | 0 | 0 | 119.5 | L693 | N691-L693 HydrophobicContact CB-CB 4.27Å; N691-L693 PolarHBondContact O-N 3.16Å | ||
| 692 | D | 24.1 | Very low | 23.7 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -55.6 | 70.4 | 135.6 | -161 | 13.4 | 0 | 0 | 0 | 111.7 | ||||
| 693 | L | 22.1 | Very low | 24.1 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | -145 | 39.7 | -175.7 | -139 | 132.3 | 0 | 0 | 0 | 114.1 | N691 | N691-L693 HydrophobicContact CB-CB 4.27Å; N691-L693 PolarHBondContact O-N 3.16Å | ||
| 694 | F | 24.2 | Very low | 24.8 | Very low | 212 Ų | 212 | 126.7 Ų | 126.7 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | trans | -146.7 | 52.2 | 162.6 | -90.2 | -77.5 | 0 | 0 | 0 | 111.2 | ||||
| 695 | E | 22.6 | Very low | 26.5 | Very low | 173 Ų | 173 | 125.8 Ų | 125.8 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -96.1 | 100.2 | 147.1 | -84.1 | -169 | 164.6 | 0 | 0 | 107 | ||||
| 696 | L | 22.2 | Very low | 29 | Very low | 162 Ų | 162 | 120.2 Ų | 120.2 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | -176.6 | 128.5 | 152 | -99.7 | 162.6 | 0 | 0 | 0 | 109.9 | ||||
| 697 | S | 21.8 | Very low | 31.8 | Very low | 100 Ų | 100 | 115.6 Ų | 115.6 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | trans | 72.6 | 98.7 | 161 | 74.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 698 | T | 25.3 | Very low | 35 | Very low | 127 Ų | 127 | 114.3 Ų | 114.3 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | 165.9 | 109.4 | 99.1 | 37.3 | 0 | 0 | 0 | 0 | 108 | I700 | T698-I700 PolarHBondContact O-N 3.13Š| |||
| 699 | G | 21.3 | Very low | 38.1 | Very low | 83 Ų | 83 | 109.4 Ų | 109.4 | 86% | 0.856 | 67% | 0.667 | S | S | * | * | trans | -61.1 | 98.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G701 | G699-G701 VanDerWaalsContact C-N 3.32Å; G699-G701 PolarHBondContact O-N 3.44Å | ||
| 700 | I | 25.7 | Very low | 41.3 | Very low | 152 Ų | 152 | 111.2 Ų | 111.2 | 78% | 0.779 | 67% | 0.667 | S | S | * | * | trans | -75.6 | 100 | 149.7 | -61.9 | 176.8 | 0 | 0 | 0 | 103.9 | T698 M702 | T698-I700 PolarHBondContact O-N 3.13Å; I700-M702 PolarHBondContact O-N 2.78Å | ||
| 701 | G | 22 | Very low | 44.5 | Very low | 72 Ų | 72 | 108.8 Ų | 108.8 | 74% | 0.742 | 65% | 0.65 | S | S | * | * | trans | -55.2 | 99.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111 | G699 A703 | G699-G701 VanDerWaalsContact C-N 3.32Å; G699-G701 PolarHBondContact O-N 3.44Å; G701-A703 PolarHBondContact O-N 3.36Å | ||
| 702 | M | 25.7 | Very low | 47.9 | Very low | 176 Ų | 176 | 105.3 Ų | 105.3 | 87% | 0.867 | 64% | 0.638 | S | S | * | * | trans | -62 | 118.9 | 154.9 | -72.8 | -96.2 | 85.9 | 0 | 0 | 105.4 | I700 | I700-M702 PolarHBondContact O-N 2.78Š| ||
| 703 | A | 33.8 | Very low | 51.4 | Low | 83 Ų | 83 | 101.8 Ų | 101.8 | 69% | 0.686 | 62% | 0.622 | S | S | * | * | trans | -47.2 | 140 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | G701 G705 | G701-A703 PolarHBondContact O-N 3.36Å; A703-G705 PolarHBondContact O-N 2.92Å | ||
| 704 | P | 42.6 | Very low | 55 | Low | 94 Ų | 94 | 97.3 Ų | 97.3 | 61% | 0.61 | 60% | 0.596 | S | S | * | * | trans | -58.5 | 107 | -178.8 | 23.1 | -31 | 0 | 0 | 0 | 108.4 | ||||
| 705 | G | 59.2 | Low | 58.5 | Low | 66 Ų | 66 | 87.5 Ų | 87.5 | 68% | 0.68 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 140 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110 | A703 | A703-G705 PolarHBondContact O-N 2.92Š|
| 706 | G | 74.3 | Confident | 62 | Low | 25 Ų | 25 | 81.5 Ų | 81.5 | 26% | 0.258 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 170.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V708 N870 N871 | G706-V708 PolarHBondContact O-N 2.71Å; G706-N870 WeakPolarHBondContact CA-O 3.49Å; G706-N871 WeakPolarHBondContact CA-OD1 3.4Å |
| 707 | Y | 86 | Confident | 65.4 | Low | 47 Ų | 47 | 74.4 Ų | 74.4 | 18% | 0.184 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 128.2 | 175.4 | 169.9 | -107.7 | 0 | 0 | 0 | 110.1 | A709 N823 N871 I934 N937 | Y707-A709 HydrophobicContact CE1-CB 4.38Å; Y707-N823 PolarHBondContact O-ND2 3.34Å; Y707-N871 PolarHBondContact N-ND2 2.89Å; Y707-N871 PolarHBondContact N-OD1 3.23Å; Y707-I934 HydrophobicContact CD1-CG1 4.23Å; Y707-I934 HydrophobicContact CG-CG1 4.2Å; Y707-N937 HydrophobicContact CD2-CB 3.96Å; Y707-N937 HydrophobicContact CE2-CB 3.97Å; Y707-N937 WeakPolarHBondContact CE2-ND2 3.13Å |
| 708 | V | 89.8 | Confident | 68.7 | Low | 72 Ų | 72 | 76.2 Ų | 76.2 | 44% | 0.436 | 50% | 0.501 | S | S | . | . | trans | -113.9 | 123.2 | 174 | 175.7 | 0 | 0 | 0 | 0 | 107.6 | G706 T728 T730 | G706-V708 PolarHBondContact O-N 2.71Å; V708-T728 HydrophobicContact CG1-CG2 4.08Å; V708-T730 HydrophobicContact CB-CG2 4.43Å; V708-T730 HydrophobicContact CG1-CG2 3.62Å; V708-T730 HydrophobicContact CG2-CG2 3.9Å | ||
| 709 | A | 88.7 | Confident | 71.9 | Confident | 19 Ų | 19 | 78.1 Ų | 78.1 | 16% | 0.157 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 144.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y707 T728 P821 | Y707-A709 HydrophobicContact CE1-CB 4.38Å; A709-T728 WeakPolarHBondContact O-CB 3.33Å; A709-T728 PolarHBondContact O-OG1 3.04Å; A709-P821 HydrophobicContact CB-CG 3.9Å |
| 710 | P | 88.6 | Confident | 75.3 | Confident | 104 Ų | 104 | 74.2 Ų | 74.2 | 68% | 0.675 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 148.8 | 176.2 | 25.6 | -33.5 | 0 | 0 | 0 | 111.2 | A712 | P710-A712 PolarHBondContact O-N 3Š|
| 711 | K | 92.5 | Very high | 78.5 | Confident | 107 Ų | 107 | 72.9 Ų | 72.9 | 47% | 0.465 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 131.9 | 174.8 | -74.2 | -173 | 177.6 | -175.8 | 0 | 109.8 | G727 T728 D783 | K711-G727 WeakPolarHBondContact CA-O 3.44Å; K711-T728 HydrophobicContact CG-CG2 3.91Å; K711-D783 IonicContact NZ-OD1 2.72Å; K711-D783 PolarHBondContact NZ-OD1 3.23Å; K711-D783 VanDerWaalsContact NZ-OD1 3.09Å |
| 712 | A | 94.6 | Very high | 81.9 | Confident | 50 Ų | 50 | 70 Ų | 70 | 41% | 0.413 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 152.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | P710 W714 S726 G727 | P710-A712 PolarHBondContact O-N 3Å; A712-W714 PolarHBondContact O-N 3.43Å; A712-S726 CarbonylContact O-C 3.58Å; A712-S726 WeakPolarHBondContact O-CA 3.18Å; A712-S726 WeakPolarHBondContact O-CB 3.06Å; A712-G727 PolarHBondContact N-O 3.23Å; A712-G727 PolarHBondContact O-N 3.34Å |
| 713 | V | 96.9 | Very high | 85.3 | Confident | 84 Ų | 84 | 61.7 Ų | 61.7 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 113.3 | 173 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | P716 E724 | V713-P716 HydrophobicContact CG1-CB 4.49Å; V713-P716 HydrophobicContact CG1-CG 4.18Å; V713-E724 HydrophobicContact CG1-CG 4.3Å |
| 714 | W | 97.9 | Very high | 88.4 | Confident | 35 Ų | 35 | 59.7 Ų | 59.7 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -36.6 | 178.6 | -61.4 | -33.2 | 0 | 0 | 0 | 112.1 | A712 I725 G727 T728 F729 M738 M740 F816 C818 | A712-W714 PolarHBondContact O-N 3.43Å; W714-I725 HydrophobicContact CE3-CG2 4.38Å; W714-I725 PolarHBondContact N-O 3.32Å; W714-G727 VanDerWaalsContact CZ2-O 3.27Å; W714-G727 WeakPolarHBondContact CZ2-O 3.38Å; W714-T728 VanDerWaalsContact CH2-N 3.33Å; W714-F729 HydrophobicContact CH2-CD2 4.33Å; W714-F729 AromaticContact CH2-CE2 3.81Å; W714-F729 HydrophobicContact CH2-CE2 3.81Å; W714-F729 HydrophobicContact CH2-CZ 4.06Å; W714-F729 HydrophobicContact CZ2-CD2 4.08Å; W714-F729 AromaticContact CZ2-CE2 3.55Å; W714-F729 HydrophobicContact CZ2-CE2 3.55Å; W714-F729 HydrophobicContact CZ2-CZ 4.2Å; W714-M738 HydrophobicContact CE3-CE 3.76Å; W714-M738 HydrophobicContact CH2-CE 3.7Å; W714-M738 HydrophobicContact CH2-CG 3.99Å; W714-M738 HydrophobicContact CZ3-CE 3.14Å; W714-M738 HydrophobicContact CZ3-CG 4.02Å; W714-M738 HydrophobicContact CZ3-SD 4.39Å; W714-M740 HydrophobicContact CZ3-CG 3.76Å; W714-M740 HydrophobicContact CZ3-SD 4.47Å; W714-F816 HydrophobicContact CB-CD2 3.54Å; W714-F816 HydrophobicContact CB-CE2 3.66Å; W714-F816 HydrophobicContact CB-CG 4.34Å; W714-F816 HydrophobicContact CD2-CE2 4.18Å; W714-F816 AromaticContact CE3-CE2 3.83Å; W714-F816 HydrophobicContact CE3-CE2 3.83Å; W714-F816 HydrophobicContact CE3-CZ 4.31Å; W714-F816 HydrophobicContact CG-CD2 4.35Å; W714-F816 HydrophobicContact CG-CE2 4.18Å; W714-C818 HydrophobicContact CB-CB 4.49Å; W714-C818 HydrophobicContact CD2-CB 3.76Å; W714-C818 HydrophobicContact CG-CB 3.74Å; W714-C818 HydrophobicContact CZ2-CB 4.23Å |
| 715 | L | 97.2 | Very high | 91.1 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 102.5 | 177.7 | -174.3 | 62.8 | 0 | 0 | 0 | 110 | K719 A720 E724 I725 F814 F816 | L715-K719 HydrophobicContact CD1-CB 4.36Å; L715-A720 HydrophobicContact CD1-CB 3.93Å; L715-A720 HydrophobicContact CD2-CB 3.54Å; L715-A720 HydrophobicContact CG-CB 3.69Å; L715-E724 CarbonylContact O-C 3.42Å; L715-E724 VanDerWaalsContact O-CA 3.3Å; L715-E724 WeakPolarHBondContact O-CA 3.3Å; L715-I725 HydrophobicContact CB-CB 3.98Å; L715-I725 HydrophobicContact CB-CD1 4.43Å; L715-I725 HydrophobicContact CB-CG1 4.25Å; L715-I725 HydrophobicContact CD2-CD1 3.83Å; L715-I725 HydrophobicContact CD2-CG1 4.18Å; L715-I725 PolarHBondContact N-O 3.18Å; L715-I725 PolarHBondContact O-N 3.27Å; L715-F814 HydrophobicContact CD2-CB 3.77Å; L715-F814 HydrophobicContact CD2-CG 4.41Å; L715-F816 HydrophobicContact CB-CB 4.33Å; L715-F816 HydrophobicContact CB-CD1 4.04Å; L715-F816 HydrophobicContact CB-CG 4.25Å; L715-F816 HydrophobicContact CD1-CB 4.26Å; L715-F816 HydrophobicContact CD2-CD1 4.14Å |
| 716 | P | 96.4 | Very high | 92.9 | Very high | 46 Ų | 46 | 53.1 Ų | 53.1 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | trans | -68.7 | 141.2 | 175 | -20.1 | 32.7 | 0 | 0 | 0 | 112.1 | V713 V718 K719 | V713-P716 HydrophobicContact CG1-CB 4.49Å; V713-P716 HydrophobicContact CG1-CG 4.18Å; P716-V718 HydrophobicContact CB-CG2 3.99Å; P716-V718 PolarHBondContact O-N 3.19Å; P716-K719 PolarHBondContact O-N 2.87Å | ||
| 717 | A | 93.7 | Very high | 94 | Very high | 14 Ų | 14 | 52 Ų | 52 | 12% | 0.116 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -50 | -38.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K719 A720 K721 G722 L723 E724 K745 | A717-K719 PolarHBondContact O-N 3.36Å; A717-A720 PolarHBondContact O-N 3.33Å; A717-A720 VanDerWaalsContact O-N 3.15Å; A717-K721 PolarHBondContact O-N 3.47Å; A717-G722 PolarHBondContact O-N 3.35Å; A717-L723 WeakPolarHBondContact CA-O 3.33Å; A717-E724 HydrophobicContact CB-CB 4.11Å; A717-K745 HydrophobicContact CB-CB 4.29Å; A717-K745 HydrophobicContact CB-CD 3.93Å; A717-K745 HydrophobicContact CB-CG 4.41Å |
| 718 | V | 91.1 | Very high | 94.5 | Very high | 138 Ų | 138 | 50.2 Ų | 50.2 | 84% | 0.836 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -61.5 | -26 | 180 | -74.9 | 0 | 0 | 0 | 0 | 113.5 | P716 | P716-V718 HydrophobicContact CB-CG2 3.99Å; P716-V718 PolarHBondContact O-N 3.19Å |
| 719 | K | 91.3 | Very high | 94.8 | Very high | 167 Ų | 167 | 47 Ų | 47 | 73% | 0.726 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -91.8 | -8.9 | 179.1 | -67.2 | -170.7 | 177.4 | -176 | 0 | 113.6 | L715 P716 A717 | L715-K719 HydrophobicContact CD1-CB 4.36Å; P716-K719 PolarHBondContact O-N 2.87Å; A717-K719 PolarHBondContact O-N 3.36Å |
| 720 | A | 93.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.2 | 40.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L715 A717 G722 L723 F814 | L715-A720 HydrophobicContact CD1-CB 3.93Å; L715-A720 HydrophobicContact CD2-CB 3.54Å; L715-A720 HydrophobicContact CG-CB 3.69Å; A717-A720 PolarHBondContact O-N 3.33Å; A717-A720 VanDerWaalsContact O-N 3.15Å; A720-G722 PolarHBondContact O-N 2.8Å; A720-L723 HydrophobicContact CB-CB 4.2Å; A720-L723 WeakPolarHBondContact CB-O 3.17Å; A720-L723 WeakPolarHBondContact O-CB 3.38Å; A720-L723 PolarHBondContact O-N 3.33Å; A720-F814 VanDerWaalsContact C-CE1 3.45Å; A720-F814 VanDerWaalsContact CA-CE1 3.44Å; A720-F814 HydrophobicContact CB-CB 4.26Å; A720-F814 HydrophobicContact CB-CD1 3.49Å; A720-F814 VanDerWaalsContact CB-CD1 3.49Å; A720-F814 HydrophobicContact CB-CD2 4.3Å; A720-F814 HydrophobicContact CB-CE1 3.83Å; A720-F814 HydrophobicContact CB-CG 3.74Å; A720-F814 HydrophobicContact CB-CZ 4.36Å; A720-F814 WeakPolarHBondContact O-CZ 3.06Å |
| 721 | K | 92.8 | Very high | 95.1 | Very high | 125 Ų | 125 | 43.9 Ų | 43.9 | 54% | 0.543 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 35.9 | 174.4 | -61.1 | 175.9 | 176.1 | 170.8 | 0 | 112.9 | A717 I811 D812 F814 | A717-K721 PolarHBondContact O-N 3.47Å; K721-I811 HydrophobicContact CB-CG2 4.36Å; K721-I811 HydrophobicContact CD-CG2 3.86Å; K721-D812 IonicContact NZ-OD2 3.9Å; K721-D812 PolarHBondContact NZ-OD2 2.95Å; K721-F814 HydrophobicContact CB-CE1 4.29Å; K721-F814 HydrophobicContact CB-CZ 4.19Å; K721-F814 HydrophobicContact CD-CE1 4.29Å; K721-F814 HydrophobicContact CD-CZ 4.39Å; K721-F814 HydrophobicContact CG-CE1 4.22Å; K721-F814 HydrophobicContact CG-CZ 4.48Å |
| 722 | G | 93.7 | Very high | 94.7 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 12% | 0.124 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.6 | -8.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A717 A720 K745 | A717-G722 PolarHBondContact O-N 3.35Å; A720-G722 PolarHBondContact O-N 2.8Å; G722-K745 WeakPolarHBondContact O-CA 3.31Å; G722-K745 WeakPolarHBondContact O-CB 3.33Å; G722-K745 PolarHBondContact O-N 3.18Å |
| 723 | L | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 122.1 | 173.4 | 178.8 | 61.9 | 0 | 0 | 0 | 110.8 | A717 A720 I725 F742 M750 F753 V807 F814 | A717-L723 WeakPolarHBondContact CA-O 3.33Å; A720-L723 HydrophobicContact CB-CB 4.2Å; A720-L723 WeakPolarHBondContact CB-O 3.17Å; A720-L723 WeakPolarHBondContact O-CB 3.38Å; A720-L723 PolarHBondContact O-N 3.33Å; L723-I725 HydrophobicContact CD2-CD1 4.2Å; L723-I725 HydrophobicContact CD2-CG1 4.41Å; L723-I725 HydrophobicContact CG-CG1 4.19Å; L723-F742 HydrophobicContact CD1-CD1 4.24Å; L723-M750 HydrophobicContact CB-CE 3.85Å; L723-M750 HydrophobicContact CB-SD 3.91Å; L723-M750 HydrophobicContact CD1-SD 3.81Å; L723-M750 HydrophobicContact CG-SD 4.33Å; L723-F753 HydrophobicContact CD1-CE1 4.22Å; L723-F753 HydrophobicContact CD2-CE1 4.18Å; L723-V807 HydrophobicContact CD2-CG1 4.34Å; L723-F814 HydrophobicContact CD2-CD2 3.92Å; L723-F814 HydrophobicContact CD2-CE2 4.19Å |
| 724 | E | 98.1 | Very high | 93.2 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.1 | 172.1 | -173.2 | 166.4 | 95.3 | 0 | 0 | 110.7 | V713 L715 A717 T743 K745 | V713-E724 HydrophobicContact CG1-CG 4.3Å; L715-E724 CarbonylContact O-C 3.42Å; L715-E724 VanDerWaalsContact O-CA 3.3Å; L715-E724 WeakPolarHBondContact O-CA 3.3Å; A717-E724 HydrophobicContact CB-CB 4.11Å; E724-T743 PolarHBondContact N-O 3.09Å; E724-T743 PolarHBondContact O-N 3.28Å; E724-K745 WeakPolarHBondContact OE1-CE 3.38Å; E724-K745 IonicContact OE1-NZ 3.5Å; E724-K745 PolarHBondContact OE1-NZ 2.96Å; E724-K745 IonicContact OE2-NZ 3.41Å; E724-K745 PolarHBondContact OE2-NZ 3.43Å |
| 725 | I | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 120.9 | 175.7 | -52.3 | 176.2 | 0 | 0 | 0 | 108.7 | W714 L715 L723 M740 N741 F742 V807 F816 | W714-I725 HydrophobicContact CE3-CG2 4.38Å; W714-I725 PolarHBondContact N-O 3.32Å; L715-I725 HydrophobicContact CB-CB 3.98Å; L715-I725 HydrophobicContact CB-CD1 4.43Å; L715-I725 HydrophobicContact CB-CG1 4.25Å; L715-I725 HydrophobicContact CD2-CD1 3.83Å; L715-I725 HydrophobicContact CD2-CG1 4.18Å; L715-I725 PolarHBondContact N-O 3.18Å; L715-I725 PolarHBondContact O-N 3.27Å; L723-I725 HydrophobicContact CD2-CD1 4.2Å; L723-I725 HydrophobicContact CD2-CG1 4.41Å; L723-I725 HydrophobicContact CG-CG1 4.19Å; I725-M740 HydrophobicContact CG2-CG 4.47Å; I725-N741 WeakPolarHBondContact CA-O 2.99Å; I725-F742 HydrophobicContact CD1-CD1 3.93Å; I725-F742 HydrophobicContact CD1-CE1 3.55Å; I725-F742 HydrophobicContact CD1-CZ 4.34Å; I725-F742 HydrophobicContact CG1-CD1 3.84Å; I725-F742 HydrophobicContact CG1-CE1 3.95Å; I725-V807 HydrophobicContact CD1-CB 4.21Å; I725-V807 HydrophobicContact CD1-CG1 4.22Å; I725-V807 HydrophobicContact CD1-CG2 3.93Å; I725-F816 HydrophobicContact CD1-CE1 3.81Å; I725-F816 HydrophobicContact CD1-CZ 4.43Å; I725-F816 HydrophobicContact CG2-CZ 4.42Å |
| 726 | S | 98 | Very high | 92.7 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 150.7 | 167.5 | 62.7 | 0 | 0 | 0 | 0 | 110.1 | A712 M740 N741 | A712-S726 CarbonylContact O-C 3.58Å; A712-S726 WeakPolarHBondContact O-CA 3.18Å; A712-S726 WeakPolarHBondContact O-CB 3.06Å; S726-M740 CarbonylContact O-C 3.27Å; S726-M740 WeakPolarHBondContact O-CA 3.37Å; S726-N741 PolarHBondContact N-O 2.86Å; S726-N741 VanDerWaalsContact N-O 3.08Å; S726-N741 PolarHBondContact O-N 3.48Å |
| 727 | G | 97.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171 | 176.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | K711 A712 W714 E739 | K711-G727 WeakPolarHBondContact CA-O 3.44Å; A712-G727 PolarHBondContact N-O 3.23Å; A712-G727 PolarHBondContact O-N 3.34Å; W714-G727 VanDerWaalsContact CZ2-O 3.27Å; W714-G727 WeakPolarHBondContact CZ2-O 3.38Å; G727-E739 CarbonylContact C-O 3.6Å; G727-E739 WeakPolarHBondContact CA-O 3.38Å |
| 728 | T | 96.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 53 Ų | 53 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 177.8 | 174.5 | -169.5 | 0 | 0 | 0 | 0 | 110.1 | V708 A709 K711 W714 T730 E739 | V708-T728 HydrophobicContact CG1-CG2 4.08Å; A709-T728 WeakPolarHBondContact O-CB 3.33Å; A709-T728 PolarHBondContact O-OG1 3.04Å; K711-T728 HydrophobicContact CG-CG2 3.91Å; W714-T728 VanDerWaalsContact CH2-N 3.33Å; T728-T730 HydrophobicContact CG2-CG2 4.46Å; T728-E739 HydrophobicContact CG2-CB 3.97Å; T728-E739 PolarHBondContact N-O 2.93Å; T728-E739 PolarHBondContact O-N 3.45Å |
| 729 | F | 96.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139.8 | 174.9 | -62.6 | -91.7 | 0 | 0 | 0 | 109.8 | W714 Y737 M738 L788 L803 I820 P821 V824 | W714-F729 HydrophobicContact CH2-CD2 4.33Å; W714-F729 AromaticContact CH2-CE2 3.81Å; W714-F729 HydrophobicContact CH2-CE2 3.81Å; W714-F729 HydrophobicContact CH2-CZ 4.06Å; W714-F729 HydrophobicContact CZ2-CD2 4.08Å; W714-F729 AromaticContact CZ2-CE2 3.55Å; W714-F729 HydrophobicContact CZ2-CE2 3.55Å; W714-F729 HydrophobicContact CZ2-CZ 4.2Å; F729-Y737 WeakPolarHBondContact CA-O 3.1Å; F729-M738 HydrophobicContact CD1-CB 4.24Å; F729-M738 HydrophobicContact CD1-CG 4.3Å; F729-M738 HydrophobicContact CE1-CB 4.06Å; F729-M738 HydrophobicContact CE1-CG 3.81Å; F729-M738 HydrophobicContact CE1-SD 4.2Å; F729-M738 HydrophobicContact CZ-CE 4.19Å; F729-M738 HydrophobicContact CZ-CG 4.25Å; F729-M738 HydrophobicContact CZ-SD 4.45Å; F729-L788 HydrophobicContact CD1-CD1 4.09Å; F729-L788 HydrophobicContact CE1-CD1 4.01Å; F729-L803 HydrophobicContact CE1-CD2 4.2Å; F729-L803 HydrophobicContact CZ-CD2 4.03Å; F729-I820 HydrophobicContact CE1-CG1 4.21Å; F729-I820 HydrophobicContact CE2-CG1 4.28Å; F729-I820 HydrophobicContact CZ-CG1 3.96Å; F729-P821 HydrophobicContact CD2-CG 4.45Å; F729-V824 HydrophobicContact CB-CG1 4Å; F729-V824 HydrophobicContact CB-CG2 4.15Å |
| 730 | T | 93.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.9 | 176.2 | 64.1 | 0 | 0 | 0 | 0 | 110.9 | V708 T728 Y737 E739 | V708-T730 HydrophobicContact CB-CG2 4.43Å; V708-T730 HydrophobicContact CG1-CG2 3.62Å; V708-T730 HydrophobicContact CG2-CG2 3.9Å; T728-T730 HydrophobicContact CG2-CG2 4.46Å; T730-Y737 PolarHBondContact N-O 3.31Å; T730-Y737 PolarHBondContact O-N 2.96Å; T730-E739 HydrophobicContact CG2-CG 3.82Å |
| 731 | H | 89.6 | Confident | 93.6 | Very high | 54 Ų | 54 | 40.9 Ų | 40.9 | 25% | 0.25 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.2 | 172.3 | -178.8 | -111.9 | 0 | 0 | 0 | 108.4 | G734 H735 V824 N872 | H731-G734 VanDerWaalsContact NE2-CA 3.33Å; H731-G734 WeakPolarHBondContact NE2-CA 3.38Å; H731-H735 WeakPolarHBondContact CA-O 3.48Å; H731-H735 PolarHBondContact CD2-O 3.02Å; H731-V824 HydrophobicContact CB-CB 4.21Å; H731-V824 HydrophobicContact CB-CG1 4.27Å; H731-N872 PolarHBondContact CE1-ND2 2.89Å |
| 732 | R | 83.2 | Confident | 93.9 | Very high | 126 Ų | 126 | 35 Ų | 35 | 48% | 0.475 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 120.2 | -176.9 | -61.5 | -179.1 | -175.3 | 141.4 | 9 | 109.1 | G734 H735 Y737 E739 | R732-G734 VanDerWaalsContact C-N 3.33Å; R732-G734 PolarHBondContact O-N 3.32Å; R732-H735 PolarHBondContact N-O 3.32Å; R732-H735 PolarHBondContact O-N 3.25Å; R732-Y737 HydrophobicContact CB-CD2 4.37Å; R732-Y737 HydrophobicContact CB-CE2 4.18Å; R732-E739 IonicContact CZ-OE1 3.55Å; R732-E739 IonicContact NH1-OE1 2.67Å; R732-E739 PolarHBondContact NH1-OE1 3.47Å; R732-E739 IonicContact NH2-OE1 4Å; R732-E739 PolarHBondContact NH2-OE1 3.01Å |
| 733 | Q | 79 | Confident | 94.1 | Very high | 185 Ų | 185 | 35.1 Ų | 35.1 | 86% | 0.864 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 46.7 | 174.4 | -58.5 | 178.7 | -8 | 0 | 0 | 113.4 | H735 | Q733-H735 PolarHBondContact O-CD2 3.18Å; Q733-H735 PolarHBondContact O-N 3.24Å |
| 734 | G | 81.7 | Confident | 94.1 | Very high | 40 Ų | 40 | 35.1 Ų | 35.1 | 41% | 0.412 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -0.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | H731 R732 | H731-G734 VanDerWaalsContact NE2-CA 3.33Å; H731-G734 WeakPolarHBondContact NE2-CA 3.38Å; R732-G734 VanDerWaalsContact C-N 3.33Å; R732-G734 PolarHBondContact O-N 3.32Å |
| 735 | H | 89.6 | Confident | 94 | Very high | 114 Ų | 114 | 38.1 Ų | 38.1 | 53% | 0.528 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 140.1 | 179.3 | -65.8 | -62.9 | 0 | 0 | 0 | 111.9 | H731 R732 Q733 Y737 | H731-H735 WeakPolarHBondContact CA-O 3.48Å; H731-H735 PolarHBondContact CD2-O 3.02Å; R732-H735 PolarHBondContact N-O 3.32Å; R732-H735 PolarHBondContact O-N 3.25Å; Q733-H735 PolarHBondContact O-CD2 3.18Å; Q733-H735 PolarHBondContact O-N 3.24Å; H735-Y737 HydrophobicContact CB-CD2 4.37Å; H735-Y737 HydrophobicContact CB-CE2 3.57Å |
| 736 | I | 94.8 | Very high | 93.7 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134.4 | 179.1 | -55.6 | 164.1 | 0 | 0 | 0 | 108 | L788 T790 V824 L825 T894 | I736-L788 HydrophobicContact CB-CB 4.21Å; I736-L788 HydrophobicContact CG2-CB 4.16Å; I736-L788 HydrophobicContact CG2-CD1 4.02Å; I736-L788 HydrophobicContact CG2-CG 4.47Å; I736-L788 PolarHBondContact O-N 3.45Å; I736-T790 HydrophobicContact CD1-CG2 4.06Å; I736-V824 WeakPolarHBondContact CG1-O 3.4Å; I736-V824 HydrophobicContact CG2-CB 4.37Å; I736-V824 HydrophobicContact CG2-CG2 4.23Å; I736-L825 HydrophobicContact CD1-CD2 3.72Å; I736-T894 HydrophobicContact CD1-CG2 4.38Å |
| 737 | Y | 96.2 | Very high | 93.3 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 22% | 0.22 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138.5 | 177.7 | -65.6 | -91.1 | 0 | 0 | 0 | 110.9 | F729 T730 R732 H735 S785 L786 P787 | F729-Y737 WeakPolarHBondContact CA-O 3.1Å; T730-Y737 PolarHBondContact N-O 3.31Å; T730-Y737 PolarHBondContact O-N 2.96Å; R732-Y737 HydrophobicContact CB-CD2 4.37Å; R732-Y737 HydrophobicContact CB-CE2 4.18Å; H735-Y737 HydrophobicContact CB-CD2 4.37Å; H735-Y737 HydrophobicContact CB-CE2 3.57Å; Y737-S785 VanDerWaalsContact CD1-OG 3.27Å; Y737-S785 WeakPolarHBondContact CD1-OG 3.25Å; Y737-L786 WeakPolarHBondContact CA-O 3.38Å; Y737-P787 HydrophobicContact CD1-CB 4.03Å; Y737-P787 HydrophobicContact CE1-CB 3.76Å |
| 738 | M | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 109.3 | 165.2 | -171.9 | 177.3 | -170.2 | 0 | 0 | 108.2 | W714 F729 M740 F757 L786 L788 V805 F816 | W714-M738 HydrophobicContact CE3-CE 3.76Å; W714-M738 HydrophobicContact CH2-CE 3.7Å; W714-M738 HydrophobicContact CH2-CG 3.99Å; W714-M738 HydrophobicContact CZ3-CE 3.14Å; W714-M738 HydrophobicContact CZ3-CG 4.02Å; W714-M738 HydrophobicContact CZ3-SD 4.39Å; F729-M738 HydrophobicContact CD1-CB 4.24Å; F729-M738 HydrophobicContact CD1-CG 4.3Å; F729-M738 HydrophobicContact CE1-CB 4.06Å; F729-M738 HydrophobicContact CE1-CG 3.81Å; F729-M738 HydrophobicContact CE1-SD 4.2Å; F729-M738 HydrophobicContact CZ-CE 4.19Å; F729-M738 HydrophobicContact CZ-CG 4.25Å; F729-M738 HydrophobicContact CZ-SD 4.45Å; M738-M740 HydrophobicContact CB-CE 4.49Å; M738-M740 HydrophobicContact CE-CG 4.41Å; M738-M740 HydrophobicContact CE-SD 3.9Å; M738-M740 HydrophobicContact CG-CE 4.13Å; M738-M740 HydrophobicContact CG-CG 3.99Å; M738-M740 HydrophobicContact CG-SD 4.06Å; M738-M740 HydrophobicContact SD-CE 4.14Å; M738-M740 HydrophobicContact SD-SD 3.88Å; M738-F757 HydrophobicContact SD-CE1 3.9Å; M738-F757 HydrophobicContact SD-CE2 4.41Å; M738-F757 HydrophobicContact SD-CZ 3.42Å; M738-F757 WeakPolarHBondContact SD-CZ 3.46Å; M738-L786 HydrophobicContact CB-CB 4.32Å; M738-L786 PolarHBondContact N-O 2.96Å; M738-L786 PolarHBondContact O-N 3.03Å; M738-L788 HydrophobicContact CB-CD1 3.83Å; M738-L788 HydrophobicContact CB-CD2 4.14Å; M738-L788 HydrophobicContact CB-CG 4.15Å; M738-V805 HydrophobicContact CE-CG2 4.22Å; M738-F816 HydrophobicContact CE-CE2 4.37Å; M738-F816 HydrophobicContact CE-CZ 4.43Å |
| 739 | E | 97.1 | Very high | 92.8 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 11% | 0.112 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 112.9 | -177.8 | -65.8 | -73.5 | -167 | 0 | 0 | 108.8 | G727 T728 T730 R732 S785 | G727-E739 CarbonylContact C-O 3.6Å; G727-E739 WeakPolarHBondContact CA-O 3.38Å; T728-E739 HydrophobicContact CG2-CB 3.97Å; T728-E739 PolarHBondContact N-O 2.93Å; T728-E739 PolarHBondContact O-N 3.45Å; T730-E739 HydrophobicContact CG2-CG 3.82Å; R732-E739 IonicContact CZ-OE1 3.55Å; R732-E739 IonicContact NH1-OE1 2.67Å; R732-E739 PolarHBondContact NH1-OE1 3.47Å; R732-E739 IonicContact NH2-OE1 4Å; R732-E739 PolarHBondContact NH2-OE1 3.01Å; E739-S785 VanDerWaalsContact OE2-CB 3.29Å; E739-S785 WeakPolarHBondContact OE2-CB 3.39Å |
| 740 | M | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 149.6 | -173.1 | -70.8 | 175.1 | -72.2 | 0 | 0 | 111.5 | W714 I725 S726 M738 F742 I755 L770 D783 V784 L786 | W714-M740 HydrophobicContact CZ3-CG 3.76Å; W714-M740 HydrophobicContact CZ3-SD 4.47Å; I725-M740 HydrophobicContact CG2-CG 4.47Å; S726-M740 CarbonylContact O-C 3.27Å; S726-M740 WeakPolarHBondContact O-CA 3.37Å; M738-M740 HydrophobicContact CB-CE 4.49Å; M738-M740 HydrophobicContact CE-CG 4.41Å; M738-M740 HydrophobicContact CE-SD 3.9Å; M738-M740 HydrophobicContact CG-CE 4.13Å; M738-M740 HydrophobicContact CG-CG 3.99Å; M738-M740 HydrophobicContact CG-SD 4.06Å; M738-M740 HydrophobicContact SD-CE 4.14Å; M738-M740 HydrophobicContact SD-SD 3.88Å; M740-F742 HydrophobicContact CB-CD2 4.07Å; M740-F742 HydrophobicContact CB-CE2 3.53Å; M740-F742 HydrophobicContact CB-CZ 4.36Å; M740-F742 HydrophobicContact CE-CE2 4.13Å; M740-F742 HydrophobicContact CE-CZ 4.29Å; M740-F742 HydrophobicContact CG-CE2 4.28Å; M740-F742 HydrophobicContact SD-CE2 3.88Å; M740-F742 HydrophobicContact SD-CZ 3.82Å; M740-I755 HydrophobicContact CE-CD1 3.99Å; M740-I755 HydrophobicContact SD-CD1 3.97Å; M740-L770 HydrophobicContact CE-CD1 3.95Å; M740-D783 CarbonylContact O-C 3.44Å; M740-D783 WeakPolarHBondContact O-CA 3.42Å; M740-V784 PolarHBondContact N-O 3.36Å; M740-V784 PolarHBondContact O-N 3.44Å; M740-L786 HydrophobicContact CE-CB 3.72Å; M740-L786 HydrophobicContact CE-CD2 3.84Å; M740-L786 HydrophobicContact CE-CG 4.44Å |
| 741 | N | 97.4 | Very high | 92.8 | Very high | 27 Ų | 27 | 56.5 Ų | 56.5 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 116.1 | 166.2 | -176.8 | -86.9 | 0 | 0 | 0 | 108.2 | I725 S726 T743 I782 D783 | I725-N741 WeakPolarHBondContact CA-O 2.99Å; S726-N741 PolarHBondContact N-O 2.86Å; S726-N741 VanDerWaalsContact N-O 3.08Å; S726-N741 PolarHBondContact O-N 3.48Å; N741-T743 PolarHBondContact OD1-OG1 3.48Å; N741-I782 WeakPolarHBondContact CA-O 3.4Å; N741-D783 WeakPolarHBondContact CB-OD1 3.1Å; N741-D783 PolarHBondContact ND2-OD1 2.95Å |
| 742 | F | 98 | Very high | 93 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 123 | 176.3 | -68 | -104.6 | 0 | 0 | 0 | 108.3 | L723 I725 M740 F753 L770 I772 L776 S781 I782 V784 V807 | L723-F742 HydrophobicContact CD1-CD1 4.24Å; I725-F742 HydrophobicContact CD1-CD1 3.93Å; I725-F742 HydrophobicContact CD1-CE1 3.55Å; I725-F742 HydrophobicContact CD1-CZ 4.34Å; I725-F742 HydrophobicContact CG1-CD1 3.84Å; I725-F742 HydrophobicContact CG1-CE1 3.95Å; M740-F742 HydrophobicContact CB-CD2 4.07Å; M740-F742 HydrophobicContact CB-CE2 3.53Å; M740-F742 HydrophobicContact CB-CZ 4.36Å; M740-F742 HydrophobicContact CE-CE2 4.13Å; M740-F742 HydrophobicContact CE-CZ 4.29Å; M740-F742 HydrophobicContact CG-CE2 4.28Å; M740-F742 HydrophobicContact SD-CE2 3.88Å; M740-F742 HydrophobicContact SD-CZ 3.82Å; F742-F753 HydrophobicContact CD1-CD1 4.39Å; F742-F753 HydrophobicContact CD1-CE1 4.11Å; F742-F753 HydrophobicContact CE1-CD1 4.48Å; F742-L770 HydrophobicContact CE1-CD2 4.35Å; F742-L770 HydrophobicContact CE2-CD1 4.35Å; F742-L770 HydrophobicContact CZ-CD1 4.25Å; F742-L770 HydrophobicContact CZ-CD2 3.94Å; F742-I772 HydrophobicContact CD1-CD1 4.1Å; F742-I772 HydrophobicContact CD2-CD1 3.8Å; F742-I772 HydrophobicContact CE1-CD1 4.24Å; F742-I772 HydrophobicContact CE2-CD1 3.95Å; F742-I772 HydrophobicContact CG-CD1 3.89Å; F742-I772 HydrophobicContact CZ-CD1 4.18Å; F742-L776 HydrophobicContact CB-CD2 4.13Å; F742-S781 CarbonylContact O-C 3.59Å; F742-S781 WeakPolarHBondContact O-CA 3.29Å; F742-I782 HydrophobicContact CB-CG2 3.89Å; F742-I782 PolarHBondContact N-O 3.47Å; F742-I782 PolarHBondContact O-N 3.22Å; F742-V784 HydrophobicContact CD2-CB 4.4Å; F742-V784 HydrophobicContact CD2-CG2 3.93Å; F742-V784 HydrophobicContact CE2-CB 4.19Å; F742-V784 HydrophobicContact CE2-CG2 4.09Å; F742-V807 HydrophobicContact CE1-CG1 3.99Å; F742-V807 HydrophobicContact CE1-CG2 4.4Å |
| 743 | T | 97.6 | Very high | 93.6 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124.3 | 178.8 | -63.9 | 0 | 0 | 0 | 0 | 110.1 | E724 N741 K745 S781 | E724-T743 PolarHBondContact N-O 3.09Å; E724-T743 PolarHBondContact O-N 3.28Å; N741-T743 PolarHBondContact OD1-OG1 3.48Å; T743-K745 HydrophobicContact CG2-CG 4.01Å; T743-S781 WeakPolarHBondContact CB-OG 3.5Å; T743-S781 WeakPolarHBondContact CG2-OG 3.38Å; T743-S781 WeakPolarHBondContact OG1-CB 3.4Å; T743-S781 PolarHBondContact OG1-OG 2.83Å |
| 744 | N | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 106.9 | 175.5 | -178.9 | 3.2 | 0 | 0 | 0 | 110.2 | A746 Q748 M750 L776 N779 Q780 | N744-A746 WeakPolarHBondContact OD1-CA 3.46Å; N744-A746 WeakPolarHBondContact OD1-CB 3.31Å; N744-A746 PolarHBondContact OD1-N 3.13Å; N744-A746 PolarHBondContact OD1-O 3.17Å; N744-Q748 PolarHBondContact ND2-O 3.47Å; N744-M750 HydrophobicContact CB-CE 4.42Å; N744-M750 HydrophobicContact CB-SD 4.04Å; N744-M750 WeakPolarHBondContact OD1-CE 3.3Å; N744-L776 HydrophobicContact CB-CD2 3.8Å; N744-L776 HydrophobicContact CB-CG 3.8Å; N744-L776 PolarHBondContact ND2-O 3.04Å; N744-N779 WeakPolarHBondContact O-CA 3.43Å; N744-N779 PolarHBondContact O-N 3.2Å; N744-Q780 PolarHBondContact N-O 3.26Å |
| 745 | K | 95.9 | Very high | 95.1 | Very high | 105 Ų | 105 | 47 Ų | 47 | 46% | 0.457 | 24% | 0.24 | S | C | . | . | trans | -98.6 | 6.7 | 172.9 | -58.9 | -171.3 | -180 | 164.9 | 0 | 113.1 | A717 G722 E724 T743 | A717-K745 HydrophobicContact CB-CB 4.29Å; A717-K745 HydrophobicContact CB-CD 3.93Å; A717-K745 HydrophobicContact CB-CG 4.41Å; G722-K745 WeakPolarHBondContact O-CA 3.31Å; G722-K745 WeakPolarHBondContact O-CB 3.33Å; G722-K745 PolarHBondContact O-N 3.18Å; E724-K745 WeakPolarHBondContact OE1-CE 3.38Å; E724-K745 IonicContact OE1-NZ 3.5Å; E724-K745 PolarHBondContact OE1-NZ 2.96Å; E724-K745 IonicContact OE2-NZ 3.41Å; E724-K745 PolarHBondContact OE2-NZ 3.43Å; T743-K745 HydrophobicContact CG2-CG 4.01Å | ||
| 746 | A | 92.9 | Very high | 95.4 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 17% | 0.165 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -85.4 | 165.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N744 Q748 M750 P778 | N744-A746 WeakPolarHBondContact OD1-CA 3.46Å; N744-A746 WeakPolarHBondContact OD1-CB 3.31Å; N744-A746 PolarHBondContact OD1-N 3.13Å; N744-A746 PolarHBondContact OD1-O 3.17Å; A746-Q748 VanDerWaalsContact C-N 3.33Å; A746-M750 HydrophobicContact CB-CE 3.85Å; A746-P778 VanDerWaalsContact O-CB 3.26Å; A746-P778 WeakPolarHBondContact O-CB 3.42Å |
| 747 | L | 89.7 | Confident | 95.6 | Very high | 173 Ų | 173 | 48.7 Ų | 48.7 | 91% | 0.906 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -80.3 | -13.6 | 173.3 | -70 | 170.5 | 0 | 0 | 0 | 113.3 | P778 | L747-P778 WeakPolarHBondContact O-CG 3.26Š|
| 748 | Q | 91 | Very high | 95.6 | Very high | 110 Ų | 110 | 49.7 Ų | 49.7 | 51% | 0.514 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -98.7 | 143.7 | -179.8 | -170.4 | 174.8 | 2.8 | 0 | 0 | 110.6 | N744 A746 | N744-Q748 PolarHBondContact ND2-O 3.47Å; A746-Q748 VanDerWaalsContact C-N 3.33Å |
| 749 | H | 92.4 | Very high | 95.5 | Very high | 91 Ų | 91 | 52.1 Ų | 52.1 | 42% | 0.421 | 27% | 0.267 | S | S | . | . | trans | -70.2 | 142.5 | 172.9 | 59.8 | -91.4 | 0 | 0 | 0 | 110.9 | M777 N810 | H749-M777 HydrophobicContact CB-SD 3.98Å; H749-N810 PolarHBondContact O-ND2 3.26Å; H749-N810 VanDerWaalsContact O-ND2 3.16Å | ||
| 750 | M | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -106.3 | 131.2 | 179.3 | -65.2 | 172.7 | -175.7 | 0 | 0 | 110.7 | L723 N744 A746 F753 L776 N810 I811 | L723-M750 HydrophobicContact CB-CE 3.85Å; L723-M750 HydrophobicContact CB-SD 3.91Å; L723-M750 HydrophobicContact CD1-SD 3.81Å; L723-M750 HydrophobicContact CG-SD 4.33Å; N744-M750 HydrophobicContact CB-CE 4.42Å; N744-M750 HydrophobicContact CB-SD 4.04Å; N744-M750 WeakPolarHBondContact OD1-CE 3.3Å; A746-M750 HydrophobicContact CB-CE 3.85Å; M750-F753 HydrophobicContact CB-CE2 3.79Å; M750-F753 HydrophobicContact CB-CZ 3.54Å; M750-F753 HydrophobicContact SD-CZ 4.35Å; M750-L776 HydrophobicContact CB-CB 4.4Å; M750-L776 PolarHBondContact N-O 3.47Å; M750-L776 PolarHBondContact O-N 3.04Å; M750-N810 VanDerWaalsContact CA-OD1 3.27Å; M750-N810 WeakPolarHBondContact CA-OD1 3.48Å; M750-I811 HydrophobicContact CE-CD1 3.74Å; M750-I811 HydrophobicContact CG-CD1 3.73Å; M750-I811 HydrophobicContact CG-CG1 4.48Å; M750-I811 HydrophobicContact SD-CD1 4.44Å |
| 751 | T | 94.8 | Very high | 95.4 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | trans | -133.8 | 177.6 | 179.3 | 56.3 | 0 | 0 | 0 | 0 | 110.6 | F753 P775 N809 N810 | T751-F753 VanDerWaalsContact C-N 3.34Å; T751-F753 PolarHBondContact O-N 2.99Å; T751-P775 HydrophobicContact CG2-CB 3.59Å; T751-P775 HydrophobicContact CG2-CG 3.79Å; T751-N809 CarbonylContact O-C 3.51Å; T751-N809 WeakPolarHBondContact O-CA 3.33Å; T751-N809 WeakPolarHBondContact O-CB 3.11Å; T751-N810 VanDerWaalsContact N-CG 3.33Å; T751-N810 PolarHBondContact N-OD1 3.07Å; T751-N810 PolarHBondContact O-N 2.91Å; T751-N810 PolarHBondContact O-OD1 3.48Å; T751-N810 WeakPolarHBondContact OG1-CB 3.29Å; T751-N810 PolarHBondContact OG1-ND2 2.83Å | ||
| 752 | D | 92.3 | Very high | 95.3 | Very high | 117 Ų | 117 | 51 Ų | 51 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | trans | 60.6 | 41.6 | 170 | -48.2 | -52.9 | 0 | 0 | 0 | 113.7 | ||||
| 753 | F | 96.7 | Very high | 95.3 | Very high | 17 Ų | 17 | 51 Ų | 51 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | trans | -68 | 130.5 | -179.9 | -75.9 | -85 | 0 | 0 | 0 | 111.8 | L723 F742 M750 T751 L770 I772 L776 V807 K808 N809 | L723-F753 HydrophobicContact CD1-CE1 4.22Å; L723-F753 HydrophobicContact CD2-CE1 4.18Å; F742-F753 HydrophobicContact CD1-CD1 4.39Å; F742-F753 HydrophobicContact CD1-CE1 4.11Å; F742-F753 HydrophobicContact CE1-CD1 4.48Å; M750-F753 HydrophobicContact CB-CE2 3.79Å; M750-F753 HydrophobicContact CB-CZ 3.54Å; M750-F753 HydrophobicContact SD-CZ 4.35Å; T751-F753 VanDerWaalsContact C-N 3.34Å; T751-F753 PolarHBondContact O-N 2.99Å; F753-L770 HydrophobicContact CB-CD2 3.96Å; F753-I772 HydrophobicContact CB-CB 3.99Å; F753-I772 HydrophobicContact CB-CD1 4.01Å; F753-I772 HydrophobicContact CB-CG1 4.47Å; F753-I772 HydrophobicContact CB-CG2 4.45Å; F753-I772 HydrophobicContact CD1-CD1 4.04Å; F753-I772 HydrophobicContact CD2-CB 4.03Å; F753-I772 HydrophobicContact CD2-CD1 4.16Å; F753-I772 HydrophobicContact CD2-CG2 3.53Å; F753-I772 HydrophobicContact CE2-CG2 4Å; F753-I772 HydrophobicContact CG-CB 4.19Å; F753-I772 HydrophobicContact CG-CD1 3.82Å; F753-I772 HydrophobicContact CG-CG2 4.17Å; F753-L776 HydrophobicContact CE2-CB 4.02Å; F753-L776 HydrophobicContact CZ-CB 4.29Å; F753-L776 HydrophobicContact CZ-CD2 4.1Å; F753-V807 HydrophobicContact CD1-CG1 4.35Å; F753-K808 CarbonylContact C-O 3.56Å; F753-K808 VanDerWaalsContact CA-O 3.23Å; F753-K808 WeakPolarHBondContact CA-O 3.41Å; F753-N809 HydrophobicContact CD1-CB 3.96Å; F753-N809 HydrophobicContact CE1-CB 3.93Å; F753-N809 HydrophobicContact CG-CB 4.37Å; F753-N809 HydrophobicContact CZ-CB 4.32Å | ||
| 754 | A | 96 | Very high | 95.2 | Very high | 47 Ų | 47 | 50.4 Ų | 50.4 | 39% | 0.388 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 154.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V807 K808 | A754-V807 CarbonylContact O-C 3.59Å; A754-V807 WeakPolarHBondContact O-CA 3.37Å; A754-K808 HydrophobicContact CB-CB 4.39Å; A754-K808 PolarHBondContact N-O 3.27Å; A754-K808 PolarHBondContact O-N 3.03Å |
| 755 | I | 96.9 | Very high | 95.2 | Very high | 25 Ų | 25 | 53.2 Ų | 53.2 | 13% | 0.128 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.2 | 179.6 | -162.7 | 165.6 | 0 | 0 | 0 | 110.4 | M740 F757 P766 L770 L786 V805 A806 V807 | M740-I755 HydrophobicContact CE-CD1 3.99Å; M740-I755 HydrophobicContact SD-CD1 3.97Å; I755-F757 HydrophobicContact CD1-CE1 3.72Å; I755-F757 HydrophobicContact CG1-CD1 4.31Å; I755-F757 HydrophobicContact CG1-CE1 3.85Å; I755-P766 HydrophobicContact CG2-CG 4.14Å; I755-L770 HydrophobicContact CB-CB 4.24Å; I755-L770 HydrophobicContact CB-CD2 4.12Å; I755-L770 HydrophobicContact CG2-CB 3.78Å; I755-L770 HydrophobicContact CG2-CD1 4.33Å; I755-L770 HydrophobicContact CG2-CD2 4.5Å; I755-L770 HydrophobicContact CG2-CG 4.43Å; I755-L786 HydrophobicContact CD1-CD2 4Å; I755-L786 HydrophobicContact CG2-CD2 3.77Å; I755-V805 HydrophobicContact CD1-CG1 3.82Å; I755-V805 HydrophobicContact CG1-CG1 3.76Å; I755-A806 CarbonylContact C-O 3.56Å; I755-A806 WeakPolarHBondContact CA-O 3.48Å; I755-V807 HydrophobicContact CB-CG2 4.47Å; I755-V807 HydrophobicContact CD1-CG2 4Å; I755-V807 HydrophobicContact CG1-CG2 3.87Å |
| 756 | Q | 96.1 | Very high | 95.3 | Very high | 143 Ų | 143 | 49.4 Ų | 49.4 | 67% | 0.668 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 141.8 | 173.5 | -168.4 | 173.3 | 22.3 | 0 | 0 | 109.3 | A806 | Q756-A806 PolarHBondContact N-O 3.07Å; Q756-A806 PolarHBondContact O-N 3.33Å |
| 757 | F | 97.3 | Very high | 95.3 | Very high | 19 Ų | 19 | 51.2 Ų | 51.2 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 144.9 | 175.2 | -62.7 | -4.8 | 0 | 0 | 0 | 109.4 | M738 I755 V764 P766 L786 L788 L803 V805 | M738-F757 HydrophobicContact SD-CE1 3.9Å; M738-F757 HydrophobicContact SD-CE2 4.41Å; M738-F757 HydrophobicContact SD-CZ 3.42Å; M738-F757 WeakPolarHBondContact SD-CZ 3.46Å; I755-F757 HydrophobicContact CD1-CE1 3.72Å; I755-F757 HydrophobicContact CG1-CD1 4.31Å; I755-F757 HydrophobicContact CG1-CE1 3.85Å; F757-V764 HydrophobicContact CD2-CG1 4.23Å; F757-V764 HydrophobicContact CE2-CG1 4.12Å; F757-P766 HydrophobicContact CD1-CG 4.14Å; F757-P766 HydrophobicContact CD2-CG 4.15Å; F757-P766 HydrophobicContact CE1-CG 3.92Å; F757-P766 HydrophobicContact CE2-CG 3.93Å; F757-P766 HydrophobicContact CG-CG 4.22Å; F757-P766 HydrophobicContact CZ-CG 3.79Å; F757-L786 HydrophobicContact CZ-CD2 4.14Å; F757-L788 HydrophobicContact CE2-CD1 4.24Å; F757-L788 HydrophobicContact CE2-CD2 3.55Å; F757-L788 HydrophobicContact CE2-CG 4.49Å; F757-L788 HydrophobicContact CZ-CD2 3.75Å; F757-L803 HydrophobicContact CB-CD1 4.17Å; F757-L803 HydrophobicContact CD2-CD1 3.87Å; F757-L803 HydrophobicContact CD2-CD2 3.95Å; F757-L803 HydrophobicContact CD2-CG 4.38Å; F757-L803 HydrophobicContact CE2-CD2 3.84Å; F757-L803 HydrophobicContact CG-CD1 4.12Å; F757-L803 HydrophobicContact CG-CD2 4.4Å; F757-L803 HydrophobicContact CZ-CD2 4.21Å; F757-V805 HydrophobicContact CD1-CB 4.34Å; F757-V805 HydrophobicContact CD1-CG1 3.94Å; F757-V805 HydrophobicContact CD1-CG2 3.88Å; F757-V805 HydrophobicContact CE1-CG1 3.9Å; F757-V805 HydrophobicContact CE1-CG2 4.01Å |
| 758 | N | 96 | Very high | 95.5 | Very high | 77 Ų | 77 | 46.2 Ų | 46.2 | 41% | 0.412 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -74.5 | 165.3 | 168.9 | -155.3 | -3.6 | 0 | 0 | 0 | 110.6 | N760 Q804 | N758-N760 PolarHBondContact O-N 2.94Å; N758-N760 PolarHBondContact O-ND2 3.37Å; N758-N760 VanDerWaalsContact O-ND2 3.07Å; N758-Q804 HydrophobicContact CB-CB 3.85Å; N758-Q804 PolarHBondContact N-O 2.86Å; N758-Q804 PolarHBondContact ND2-OE1 3.23Å |
| 759 | K | 96.3 | Very high | 95.5 | Very high | 51 Ų | 51 | 46.5 Ų | 46.5 | 22% | 0.222 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 137.1 | 168.2 | -55.8 | -167.3 | 174.8 | -175.1 | 0 | 108.7 | E297 P793 M795 | E297-K759 IonicContact OE1-NZ 2.85Å; E297-K759 PolarHBondContact OE1-NZ 3.45Å; E297-K759 VanDerWaalsContact OE1-NZ 3.07Å; K759-P793 HydrophobicContact CD-CB 4Å; K759-P793 HydrophobicContact CD-CG 4.5Å; K759-P793 HydrophobicContact CG-CB 3.86Å; K759-P793 HydrophobicContact CG-CG 3.86Å; K759-M795 HydrophobicContact CB-CB 3.53Å; K759-M795 HydrophobicContact CD-CB 4.43Å |
| 760 | N | 96.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -145.9 | 167.5 | -175.8 | 61 | 80.5 | 0 | 0 | 0 | 111.4 | N758 F762 G763 V764 V794 M795 M797 L803 | N758-N760 PolarHBondContact O-N 2.94Å; N758-N760 PolarHBondContact O-ND2 3.37Å; N758-N760 VanDerWaalsContact O-ND2 3.07Å; N760-F762 PolarHBondContact O-N 3Å; N760-F762 PolarHBondContact OD1-N 3.25Å; N760-G763 PolarHBondContact O-N 3.35Å; N760-G763 PolarHBondContact OD1-N 2.67Å; N760-G763 VanDerWaalsContact OD1-N 3.07Å; N760-V764 PolarHBondContact ND2-N 3.35Å; N760-V764 PolarHBondContact ND2-O 2.96Å; N760-V764 PolarHBondContact OD1-N 3.35Å; N760-V794 VanDerWaalsContact O-CA 3.31Å; N760-V794 WeakPolarHBondContact O-CA 3.43Å; N760-M795 CarbonylContact C-O 3.57Å; N760-M795 WeakPolarHBondContact CA-O 3.41Å; N760-M795 PolarHBondContact O-N 3.24Å; N760-M797 HydrophobicContact CB-CG 4.32Å; N760-L803 HydrophobicContact CB-CD1 4.08Å |
| 761 | S | 96.2 | Very high | 95.1 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19 | -167.6 | -46 | 0 | 0 | 0 | 0 | 114.5 | V794 M795 M797 L800 | S761-V794 WeakPolarHBondContact O-CG1 3.16Å; S761-M795 VanDerWaalsContact CA-O 3.31Å; S761-M795 WeakPolarHBondContact CA-O 3.34Å; S761-M795 PolarHBondContact N-O 3.01Å; S761-M797 WeakPolarHBondContact OG-CB 3.38Å; S761-M797 PolarHBondContact OG-N 3.16Å; S761-L800 WeakPolarHBondContact CB-O 3.44Å; S761-L800 PolarHBondContact OG-O 2.7Å |
| 762 | F | 96 | Very high | 94.8 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | 10.3 | -174.9 | -60.1 | -80.1 | 0 | 0 | 0 | 113.2 | N760 V764 T790 L800 L822 L825 L893 | N760-F762 PolarHBondContact O-N 3Å; N760-F762 PolarHBondContact OD1-N 3.25Å; F762-V764 HydrophobicContact CB-CG2 4.04Å; F762-V764 PolarHBondContact O-N 3.04Å; F762-T790 WeakPolarHBondContact O-CB 3.42Å; F762-L800 WeakPolarHBondContact CE2-O 3.34Å; F762-L822 HydrophobicContact CD2-CD2 4.36Å; F762-L822 HydrophobicContact CE1-CD2 4.42Å; F762-L822 HydrophobicContact CE2-CD2 3.58Å; F762-L822 HydrophobicContact CZ-CD2 3.61Å; F762-L825 HydrophobicContact CB-CD1 3.82Å; F762-L825 HydrophobicContact CD1-CD1 3.84Å; F762-L825 HydrophobicContact CD2-CD1 3.64Å; F762-L825 HydrophobicContact CE1-CD1 4.32Å; F762-L825 HydrophobicContact CE2-CD1 4.15Å; F762-L825 HydrophobicContact CG-CD1 3.47Å; F762-L825 VanDerWaalsContact CG-CD1 3.47Å; F762-L825 HydrophobicContact CZ-CD1 4.46Å; F762-L893 HydrophobicContact CE1-CD1 3.89Å |
| 763 | G | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | 63.6 | 27.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N760 I765 T790 L791 G792 | N760-G763 PolarHBondContact O-N 3.35Å; N760-G763 PolarHBondContact OD1-N 2.67Å; N760-G763 VanDerWaalsContact OD1-N 3.07Å; G763-I765 PolarHBondContact O-N 3.29Å; G763-T790 CarbonylContact O-C 3.41Å; G763-T790 WeakPolarHBondContact O-CA 3.47Å; G763-L791 PolarHBondContact O-N 2.87Å; G763-G792 VanDerWaalsContact CA-O 3.28Å; G763-G792 WeakPolarHBondContact CA-O 3.4Å; G763-G792 VanDerWaalsContact O-CA 3.22Å; G763-G792 WeakPolarHBondContact O-CA 3.43Å; G763-G792 PolarHBondContact O-N 3.38Å | ||
| 764 | V | 97.5 | Very high | 94 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | trans | -67.9 | 127.3 | -178 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | F757 N760 F762 L788 N789 T790 L803 I820 L825 | F757-V764 HydrophobicContact CD2-CG1 4.23Å; F757-V764 HydrophobicContact CE2-CG1 4.12Å; N760-V764 PolarHBondContact ND2-N 3.35Å; N760-V764 PolarHBondContact ND2-O 2.96Å; N760-V764 PolarHBondContact OD1-N 3.35Å; F762-V764 HydrophobicContact CB-CG2 4.04Å; F762-V764 PolarHBondContact O-N 3.04Å; V764-L788 HydrophobicContact CG1-CB 4.28Å; V764-L788 HydrophobicContact CG1-CD1 3.78Å; V764-N789 CarbonylContact C-O 3.4Å; V764-N789 VanDerWaalsContact CA-O 3.29Å; V764-N789 WeakPolarHBondContact CA-O 3.35Å; V764-T790 HydrophobicContact CG2-CG2 4.24Å; V764-L803 HydrophobicContact CB-CD1 4.43Å; V764-I820 HydrophobicContact CB-CD1 4.27Å; V764-I820 HydrophobicContact CG1-CD1 4.36Å; V764-I820 HydrophobicContact CG2-CD1 3.85Å; V764-L825 HydrophobicContact CG2-CD2 4.38Å | ||
| 765 | I | 97.3 | Very high | 93.7 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 30% | 0.303 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 150 | 179.7 | -167.5 | 168.8 | 0 | 0 | 0 | 110.6 | G763 S767 L788 N789 | G763-I765 PolarHBondContact O-N 3.29Å; I765-S767 PolarHBondContact O-N 3.2Å; I765-L788 WeakPolarHBondContact O-CA 3.48Å; I765-N789 WeakPolarHBondContact CG2-OD1 3.44Å; I765-N789 PolarHBondContact N-O 3.12Å; I765-N789 PolarHBondContact O-N 2.7Å |
| 766 | P | 97.2 | Very high | 93.7 | Very high | 25 Ų | 25 | 49.9 Ų | 49.9 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 130.5 | 171.2 | -23.3 | 36 | 0 | 0 | 0 | 111.5 | I755 F757 L786 | I755-P766 HydrophobicContact CG2-CG 4.14Å; F757-P766 HydrophobicContact CD1-CG 4.14Å; F757-P766 HydrophobicContact CD2-CG 4.15Å; F757-P766 HydrophobicContact CE1-CG 3.92Å; F757-P766 HydrophobicContact CE2-CG 3.93Å; F757-P766 HydrophobicContact CG-CG 4.22Å; F757-P766 HydrophobicContact CZ-CG 3.79Å; P766-L786 HydrophobicContact CB-CD1 4.21Å; P766-L786 HydrophobicContact CB-CD2 3.99Å; P766-L786 HydrophobicContact CB-CG 4.24Å; P766-L786 HydrophobicContact CG-CD2 3.99Å |
| 767 | S | 93.5 | Very high | 93.6 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 41% | 0.406 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -77.8 | -24.6 | 175.3 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | I765 P787 L788 N789 | I765-S767 PolarHBondContact O-N 3.2Å; S767-P787 WeakPolarHBondContact CB-O 3.33Å; S767-P787 PolarHBondContact N-O 3.14Å; S767-L788 PolarHBondContact OG-O 3.31Å; S767-N789 WeakPolarHBondContact OG-CB 3.37Å; S767-N789 PolarHBondContact OG-N 3.31Å; S767-N789 PolarHBondContact OG-ND2 3.08Å |
| 768 | T | 93.3 | Very high | 93.5 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -135.7 | 158.2 | 178.9 | 61.4 | 0 | 0 | 0 | 0 | 110.2 | L786 P787 | T768-L786 WeakPolarHBondContact O-CD1 3.17Å; T768-P787 HydrophobicContact CG2-CG 3.99Å; T768-P787 WeakPolarHBondContact OG1-CD 3.45Å; T768-P787 VanDerWaalsContact OG1-CG 3.24Å; T768-P787 WeakPolarHBondContact OG1-CG 3.37Å |
| 769 | P | 91.1 | Very high | 93.4 | Very high | 117 Ų | 117 | 52.2 Ų | 52.2 | 76% | 0.76 | 30% | 0.301 | S | S | * | . | trans | -56.9 | 156.9 | 169.3 | -23.4 | 34.2 | 0 | 0 | 0 | 112.6 | A771 | P769-A771 PolarHBondContact O-N 3.48Š| ||
| 770 | L | 92.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | trans | -67.6 | 115.5 | 177.4 | -173.2 | 65.8 | 0 | 0 | 0 | 110.7 | M740 F742 F753 I755 I772 V784 L786 | M740-L770 HydrophobicContact CE-CD1 3.95Å; F742-L770 HydrophobicContact CE1-CD2 4.35Å; F742-L770 HydrophobicContact CE2-CD1 4.35Å; F742-L770 HydrophobicContact CZ-CD1 4.25Å; F742-L770 HydrophobicContact CZ-CD2 3.94Å; F753-L770 HydrophobicContact CB-CD2 3.96Å; I755-L770 HydrophobicContact CB-CB 4.24Å; I755-L770 HydrophobicContact CB-CD2 4.12Å; I755-L770 HydrophobicContact CG2-CB 3.78Å; I755-L770 HydrophobicContact CG2-CD1 4.33Å; I755-L770 HydrophobicContact CG2-CD2 4.5Å; I755-L770 HydrophobicContact CG2-CG 4.43Å; L770-I772 HydrophobicContact CD2-CD1 3.9Å; L770-I772 HydrophobicContact CD2-CG1 4.43Å; L770-I772 HydrophobicContact CG-CD1 4.14Å; L770-I772 HydrophobicContact CG-CG1 4.17Å; L770-I772 PolarHBondContact O-N 3.31Å; L770-V784 HydrophobicContact CD1-CG1 3.75Å; L770-L786 HydrophobicContact CD1-CD1 4.45Å | ||
| 771 | A | 86.4 | Confident | 93.3 | Very high | 56 Ų | 56 | 56.4 Ų | 56.4 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | trans | -86.1 | 64.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P769 | P769-A771 PolarHBondContact O-N 3.48Š| ||
| 772 | I | 90 | Very high | 93.3 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | trans | -111 | 89.6 | 169.2 | -57.8 | 174 | 0 | 0 | 0 | 108.1 | F742 F753 L770 I782 V784 | F742-I772 HydrophobicContact CD1-CD1 4.1Å; F742-I772 HydrophobicContact CD2-CD1 3.8Å; F742-I772 HydrophobicContact CE1-CD1 4.24Å; F742-I772 HydrophobicContact CE2-CD1 3.95Å; F742-I772 HydrophobicContact CG-CD1 3.89Å; F742-I772 HydrophobicContact CZ-CD1 4.18Å; F753-I772 HydrophobicContact CB-CB 3.99Å; F753-I772 HydrophobicContact CB-CD1 4.01Å; F753-I772 HydrophobicContact CB-CG1 4.47Å; F753-I772 HydrophobicContact CB-CG2 4.45Å; F753-I772 HydrophobicContact CD1-CD1 4.04Å; F753-I772 HydrophobicContact CD2-CB 4.03Å; F753-I772 HydrophobicContact CD2-CD1 4.16Å; F753-I772 HydrophobicContact CD2-CG2 3.53Å; F753-I772 HydrophobicContact CE2-CG2 4Å; F753-I772 HydrophobicContact CG-CB 4.19Å; F753-I772 HydrophobicContact CG-CD1 3.82Å; F753-I772 HydrophobicContact CG-CG2 4.17Å; L770-I772 HydrophobicContact CD2-CD1 3.9Å; L770-I772 HydrophobicContact CD2-CG1 4.43Å; L770-I772 HydrophobicContact CG-CD1 4.14Å; L770-I772 HydrophobicContact CG-CG1 4.17Å; L770-I772 PolarHBondContact O-N 3.31Å; I772-I782 HydrophobicContact CD1-CG2 4.42Å; I772-I782 HydrophobicContact CG2-CD1 4.42Å; I772-V784 HydrophobicContact CD1-CG2 3.92Å; I772-V784 HydrophobicContact CG1-CG2 3.6Å | ||
| 773 | H | 84.6 | Confident | 93.3 | Very high | 166 Ų | 166 | 62.2 Ų | 62.2 | 77% | 0.769 | 36% | 0.358 | S | S | * | . | trans | -90.6 | -21.6 | -173.5 | -59.3 | -59.9 | 0 | 0 | 0 | 113.9 | ||||
| 774 | T | 87.1 | Confident | 93.3 | Very high | 86 Ų | 86 | 62.7 Ų | 62.7 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -97.3 | 139.7 | 179.3 | 47.2 | 0 | 0 | 0 | 0 | 110.7 | L776 | T774-L776 PolarHBondContact O-N 3.29Š|
| 775 | P | 90.5 | Very high | 93.2 | Very high | 60 Ų | 60 | 65 Ų | 65 | 39% | 0.39 | 38% | 0.377 | S | S | . | . | trans | -54.9 | 126.7 | 170.8 | -25.1 | 33.6 | 0 | 0 | 0 | 111.2 | T751 M777 | T751-P775 HydrophobicContact CG2-CB 3.59Å; T751-P775 HydrophobicContact CG2-CG 3.79Å; P775-M777 PolarHBondContact O-N 3.07Å | ||
| 776 | L | 95 | Very high | 93.2 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -83 | 104.3 | 178.2 | -170.7 | 65.2 | 0 | 0 | 0 | 109 | F742 N744 M750 F753 T774 Q780 I782 | F742-L776 HydrophobicContact CB-CD2 4.13Å; N744-L776 HydrophobicContact CB-CD2 3.8Å; N744-L776 HydrophobicContact CB-CG 3.8Å; N744-L776 PolarHBondContact ND2-O 3.04Å; M750-L776 HydrophobicContact CB-CB 4.4Å; M750-L776 PolarHBondContact N-O 3.47Å; M750-L776 PolarHBondContact O-N 3.04Å; F753-L776 HydrophobicContact CE2-CB 4.02Å; F753-L776 HydrophobicContact CZ-CB 4.29Å; F753-L776 HydrophobicContact CZ-CD2 4.1Å; T774-L776 PolarHBondContact O-N 3.29Å; L776-Q780 HydrophobicContact CD1-CB 3.99Å; L776-Q780 HydrophobicContact CD1-CG 4.02Å; L776-I782 HydrophobicContact CD1-CB 4.06Å; L776-I782 HydrophobicContact CD1-CG2 3.81Å; L776-I782 HydrophobicContact CD2-CG2 4.36Å |
| 777 | M | 95.7 | Very high | 93.2 | Very high | 101 Ų | 101 | 62.6 Ų | 62.6 | 50% | 0.498 | 37% | 0.365 | S | S | . | . | trans | -71.4 | 159.3 | -176.1 | -63.2 | -62.9 | -166.8 | 0 | 0 | 112 | H749 P775 N779 Q780 | H749-M777 HydrophobicContact CB-SD 3.98Å; P775-M777 PolarHBondContact O-N 3.07Å; M777-N779 PolarHBondContact O-N 3.42Å; M777-Q780 HydrophobicContact CB-CB 4.32Å; M777-Q780 WeakPolarHBondContact O-CB 3.32Å; M777-Q780 PolarHBondContact O-N 3.06Å | ||
| 778 | P | 95.2 | Very high | 93.4 | Very high | 49 Ų | 49 | 60.2 Ų | 60.2 | 32% | 0.318 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 134.5 | 172.4 | -31.2 | 39 | 0 | 0 | 0 | 112.9 | A746 L747 Q780 | A746-P778 VanDerWaalsContact O-CB 3.26Å; A746-P778 WeakPolarHBondContact O-CB 3.42Å; L747-P778 WeakPolarHBondContact O-CG 3.26Å; P778-Q780 PolarHBondContact O-N 3.39Å |
| 779 | N | 92.2 | Very high | 93.5 | Very high | 137 Ų | 137 | 59.2 Ų | 59.2 | 73% | 0.733 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 18.1 | -175.6 | -56.7 | -50.6 | 0 | 0 | 0 | 115.5 | N744 M777 | N744-N779 WeakPolarHBondContact O-CA 3.43Å; N744-N779 PolarHBondContact O-N 3.2Å; M777-N779 PolarHBondContact O-N 3.42Å |
| 780 | Q | 96.1 | Very high | 93.7 | Very high | 83 Ų | 83 | 55.4 Ų | 55.4 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | trans | -98.7 | 148.1 | 174.3 | -165.1 | 179.6 | 5.2 | 0 | 0 | 110.9 | N744 L776 M777 P778 | N744-Q780 PolarHBondContact N-O 3.26Å; L776-Q780 HydrophobicContact CD1-CB 3.99Å; L776-Q780 HydrophobicContact CD1-CG 4.02Å; M777-Q780 HydrophobicContact CB-CB 4.32Å; M777-Q780 WeakPolarHBondContact O-CB 3.32Å; M777-Q780 PolarHBondContact O-N 3.06Å; P778-Q780 PolarHBondContact O-N 3.39Å | ||
| 781 | S | 96.1 | Very high | 93.7 | Very high | 61 Ų | 61 | 62.3 Ų | 62.3 | 43% | 0.427 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150 | 171.2 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | F742 T743 | F742-S781 CarbonylContact O-C 3.59Å; F742-S781 WeakPolarHBondContact O-CA 3.29Å; T743-S781 WeakPolarHBondContact CB-OG 3.5Å; T743-S781 WeakPolarHBondContact CG2-OG 3.38Å; T743-S781 WeakPolarHBondContact OG1-CB 3.4Å; T743-S781 PolarHBondContact OG1-OG 2.83Å |
| 782 | I | 96.2 | Very high | 94 | Very high | 41 Ų | 41 | 60.2 Ų | 60.2 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 132.7 | 172.9 | -170.4 | 168.1 | 0 | 0 | 0 | 110.1 | N741 F742 I772 L776 V784 | N741-I782 WeakPolarHBondContact CA-O 3.4Å; F742-I782 HydrophobicContact CB-CG2 3.89Å; F742-I782 PolarHBondContact N-O 3.47Å; F742-I782 PolarHBondContact O-N 3.22Å; I772-I782 HydrophobicContact CD1-CG2 4.42Å; I772-I782 HydrophobicContact CG2-CD1 4.42Å; L776-I782 HydrophobicContact CD1-CB 4.06Å; L776-I782 HydrophobicContact CD1-CG2 3.81Å; L776-I782 HydrophobicContact CD2-CG2 4.36Å; I782-V784 HydrophobicContact CG1-CG2 4.44Å; I782-V784 HydrophobicContact CG2-CG2 4.36Å |
| 783 | D | 96.2 | Very high | 94.1 | Very high | 104 Ų | 104 | 62.8 Ų | 62.8 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 135.9 | 171.3 | -72.2 | -59.7 | 0 | 0 | 0 | 110.2 | K711 M740 N741 | K711-D783 IonicContact NZ-OD1 2.72Å; K711-D783 PolarHBondContact NZ-OD1 3.23Å; K711-D783 VanDerWaalsContact NZ-OD1 3.09Å; M740-D783 CarbonylContact O-C 3.44Å; M740-D783 WeakPolarHBondContact O-CA 3.42Å; N741-D783 WeakPolarHBondContact CB-OD1 3.1Å; N741-D783 PolarHBondContact ND2-OD1 2.95Å |
| 784 | V | 95.5 | Very high | 94.5 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 126.7 | -177.2 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | M740 F742 L770 I772 I782 | M740-V784 PolarHBondContact N-O 3.36Å; M740-V784 PolarHBondContact O-N 3.44Å; F742-V784 HydrophobicContact CD2-CB 4.4Å; F742-V784 HydrophobicContact CD2-CG2 3.93Å; F742-V784 HydrophobicContact CE2-CB 4.19Å; F742-V784 HydrophobicContact CE2-CG2 4.09Å; L770-V784 HydrophobicContact CD1-CG1 3.75Å; I772-V784 HydrophobicContact CD1-CG2 3.92Å; I772-V784 HydrophobicContact CG1-CG2 3.6Å; I782-V784 HydrophobicContact CG1-CG2 4.44Å; I782-V784 HydrophobicContact CG2-CG2 4.36Å |
| 785 | S | 95.7 | Very high | 94.8 | Very high | 53 Ų | 53 | 59.6 Ų | 59.6 | 37% | 0.371 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 105.9 | 172.9 | 172.2 | 0 | 0 | 0 | 0 | 109.1 | Y737 E739 | Y737-S785 VanDerWaalsContact CD1-OG 3.27Å; Y737-S785 WeakPolarHBondContact CD1-OG 3.25Å; E739-S785 VanDerWaalsContact OE2-CB 3.29Å; E739-S785 WeakPolarHBondContact OE2-CB 3.39Å |
| 786 | L | 97 | Very high | 94.9 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 114 | -178.4 | -177.6 | 68.5 | 0 | 0 | 0 | 110.5 | Y737 M738 M740 I755 F757 P766 T768 L770 L788 | Y737-L786 WeakPolarHBondContact CA-O 3.38Å; M738-L786 HydrophobicContact CB-CB 4.32Å; M738-L786 PolarHBondContact N-O 2.96Å; M738-L786 PolarHBondContact O-N 3.03Å; M740-L786 HydrophobicContact CE-CB 3.72Å; M740-L786 HydrophobicContact CE-CD2 3.84Å; M740-L786 HydrophobicContact CE-CG 4.44Å; I755-L786 HydrophobicContact CD1-CD2 4Å; I755-L786 HydrophobicContact CG2-CD2 3.77Å; F757-L786 HydrophobicContact CZ-CD2 4.14Å; P766-L786 HydrophobicContact CB-CD1 4.21Å; P766-L786 HydrophobicContact CB-CD2 3.99Å; P766-L786 HydrophobicContact CB-CG 4.24Å; P766-L786 HydrophobicContact CG-CD2 3.99Å; T768-L786 WeakPolarHBondContact O-CD1 3.17Å; L770-L786 HydrophobicContact CD1-CD1 4.45Å; L786-L788 HydrophobicContact CD2-CD2 4.12Å; L786-L788 HydrophobicContact CG-CD2 4.11Å |
| 787 | P | 96.7 | Very high | 94.8 | Very high | 31 Ų | 31 | 63.2 Ų | 63.2 | 20% | 0.201 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 136.9 | 175.3 | 27.9 | -34 | 0 | 0 | 0 | 110.8 | Y737 S767 T768 | Y737-P787 HydrophobicContact CD1-CB 4.03Å; Y737-P787 HydrophobicContact CE1-CB 3.76Å; S767-P787 WeakPolarHBondContact CB-O 3.33Å; S767-P787 PolarHBondContact N-O 3.14Å; T768-P787 HydrophobicContact CG2-CG 3.99Å; T768-P787 WeakPolarHBondContact OG1-CD 3.45Å; T768-P787 VanDerWaalsContact OG1-CG 3.24Å; T768-P787 WeakPolarHBondContact OG1-CG 3.37Å |
| 788 | L | 97.6 | Very high | 94.6 | Very high | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.037 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 157.3 | -179.8 | -50.7 | -178.4 | 0 | 0 | 0 | 110.9 | F729 I736 M738 F757 V764 I765 S767 L786 | F729-L788 HydrophobicContact CD1-CD1 4.09Å; F729-L788 HydrophobicContact CE1-CD1 4.01Å; I736-L788 HydrophobicContact CB-CB 4.21Å; I736-L788 HydrophobicContact CG2-CB 4.16Å; I736-L788 HydrophobicContact CG2-CD1 4.02Å; I736-L788 HydrophobicContact CG2-CG 4.47Å; I736-L788 PolarHBondContact O-N 3.45Å; M738-L788 HydrophobicContact CB-CD1 3.83Å; M738-L788 HydrophobicContact CB-CD2 4.14Å; M738-L788 HydrophobicContact CB-CG 4.15Å; F757-L788 HydrophobicContact CE2-CD1 4.24Å; F757-L788 HydrophobicContact CE2-CD2 3.55Å; F757-L788 HydrophobicContact CE2-CG 4.49Å; F757-L788 HydrophobicContact CZ-CD2 3.75Å; V764-L788 HydrophobicContact CG1-CB 4.28Å; V764-L788 HydrophobicContact CG1-CD1 3.78Å; I765-L788 WeakPolarHBondContact O-CA 3.48Å; S767-L788 PolarHBondContact OG-O 3.31Å; L786-L788 HydrophobicContact CD2-CD2 4.12Å; L786-L788 HydrophobicContact CG-CD2 4.11Å |
| 789 | N | 95.5 | Very high | 94.5 | Very high | 46 Ų | 46 | 65 Ų | 65 | 25% | 0.246 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 175 | 165.5 | 69 | 70.5 | 0 | 0 | 0 | 109.9 | V764 I765 S767 L791 | V764-N789 CarbonylContact C-O 3.4Å; V764-N789 VanDerWaalsContact CA-O 3.29Å; V764-N789 WeakPolarHBondContact CA-O 3.35Å; I765-N789 WeakPolarHBondContact CG2-OD1 3.44Å; I765-N789 PolarHBondContact N-O 3.12Å; I765-N789 PolarHBondContact O-N 2.7Å; S767-N789 WeakPolarHBondContact OG-CB 3.37Å; S767-N789 PolarHBondContact OG-N 3.31Å; S767-N789 PolarHBondContact OG-ND2 3.08Å; N789-L791 WeakPolarHBondContact OD1-CB 3.12Å; N789-L791 PolarHBondContact OD1-N 3.35Å |
| 790 | T | 95.7 | Very high | 94.5 | Very high | 37 Ų | 37 | 59.2 Ų | 59.2 | 23% | 0.227 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -116.2 | 30.8 | -177.4 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | I736 F762 G763 V764 L825 T894 | I736-T790 HydrophobicContact CD1-CG2 4.06Å; F762-T790 WeakPolarHBondContact O-CB 3.42Å; G763-T790 CarbonylContact O-C 3.41Å; G763-T790 WeakPolarHBondContact O-CA 3.47Å; V764-T790 HydrophobicContact CG2-CG2 4.24Å; T790-L825 HydrophobicContact CG2-CD2 4.25Å; T790-T894 HydrophobicContact CG2-CG2 3.94Å; T790-T894 WeakPolarHBondContact OG1-CB 3.22Å |
| 791 | L | 93.9 | Very high | 94.4 | Very high | 159 Ų | 159 | 55.9 Ų | 55.9 | 83% | 0.832 | 31% | 0.309 | S | S | * | . | trans | -98.4 | 3.5 | 179.4 | -59.3 | 175.9 | 0 | 0 | 0 | 112.7 | G763 N789 | G763-L791 PolarHBondContact O-N 2.87Å; N789-L791 WeakPolarHBondContact OD1-CB 3.12Å; N789-L791 PolarHBondContact OD1-N 3.35Å | ||
| 792 | G | 92.4 | Very high | 94.5 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 12% | 0.124 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -74.8 | 172.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | G763 V794 | G763-G792 VanDerWaalsContact CA-O 3.28Å; G763-G792 WeakPolarHBondContact CA-O 3.4Å; G763-G792 VanDerWaalsContact O-CA 3.22Å; G763-G792 WeakPolarHBondContact O-CA 3.43Å; G763-G792 PolarHBondContact O-N 3.38Å; G792-V794 PolarHBondContact O-N 3.43Å |
| 793 | P | 92.1 | Very high | 94.6 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 45% | 0.448 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 133.6 | 180 | 27.1 | -35 | 0 | 0 | 0 | 111.9 | K759 | K759-P793 HydrophobicContact CD-CB 4Å; K759-P793 HydrophobicContact CD-CG 4.5Å; K759-P793 HydrophobicContact CG-CB 3.86Å; K759-P793 HydrophobicContact CG-CG 3.86Å |
| 794 | V | 93.1 | Very high | 94.7 | Very high | 98 Ų | 98 | 50.5 Ų | 50.5 | 59% | 0.594 | 27% | 0.274 | S | S | * | . | B | Isolated β-bridge | trans | -96.8 | 130.9 | -176.6 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | N760 S761 G792 | N760-V794 VanDerWaalsContact O-CA 3.31Å; N760-V794 WeakPolarHBondContact O-CA 3.43Å; S761-V794 WeakPolarHBondContact O-CG1 3.16Å; G792-V794 PolarHBondContact O-N 3.43Å |
| 795 | M | 93.8 | Very high | 94.8 | Very high | 86 Ų | 86 | 50.1 Ų | 50.1 | 42% | 0.424 | 27% | 0.272 | S | S | . | . | trans | -142 | 126.9 | 167.4 | -176.2 | 174.9 | 78.6 | 0 | 0 | 108 | K759 N760 S761 M797 | K759-M795 HydrophobicContact CB-CB 3.53Å; K759-M795 HydrophobicContact CD-CB 4.43Å; N760-M795 CarbonylContact C-O 3.57Å; N760-M795 WeakPolarHBondContact CA-O 3.41Å; N760-M795 PolarHBondContact O-N 3.24Å; S761-M795 VanDerWaalsContact CA-O 3.31Å; S761-M795 WeakPolarHBondContact CA-O 3.34Å; S761-M795 PolarHBondContact N-O 3.01Å; M795-M797 HydrophobicContact CE-CE 4.39Å; M795-M797 HydrophobicContact CE-SD 3.48Å; M795-M797 WeakPolarHBondContact CE-SD 3.4Å; M795-M797 PolarHBondContact O-N 3.36Å | ||
| 796 | K | 91.5 | Very high | 94.9 | Very high | 125 Ų | 125 | 48.5 Ų | 48.5 | 54% | 0.543 | 26% | 0.261 | S | S | . | . | trans | -61.9 | 120.1 | 179.1 | -176 | 179.7 | 172.6 | 178.9 | 0 | 109.4 | L800 E922 | K796-L800 HydrophobicContact CG-CD2 3.83Å; K796-E922 WeakPolarHBondContact CE-OE2 3.45Å; K796-E922 IonicContact NZ-OE1 3.6Å; K796-E922 PolarHBondContact NZ-OE1 3.44Å; K796-E922 IonicContact NZ-OE2 3.64Å; K796-E922 PolarHBondContact NZ-OE2 3.15Å | ||
| 797 | M | 93.7 | Very high | 94.9 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | trans | -101.1 | 156.4 | 176.7 | -57.2 | -58.3 | -72.6 | 0 | 0 | 110.5 | N760 S761 M795 P799 L800 N802 Q804 | N760-M797 HydrophobicContact CB-CG 4.32Å; S761-M797 WeakPolarHBondContact OG-CB 3.38Å; S761-M797 PolarHBondContact OG-N 3.16Å; M795-M797 HydrophobicContact CE-CE 4.39Å; M795-M797 HydrophobicContact CE-SD 3.48Å; M795-M797 WeakPolarHBondContact CE-SD 3.4Å; M795-M797 PolarHBondContact O-N 3.36Å; M797-P799 CarbonylContact C-O 3.42Å; M797-P799 WeakPolarHBondContact CB-O 3.04Å; M797-P799 CarbonylContact O-C 3.58Å; M797-P799 VanDerWaalsContact O-C 3.3Å; M797-L800 VanDerWaalsContact O-CA 3.29Å; M797-L800 WeakPolarHBondContact O-CA 3.46Å; M797-L800 PolarHBondContact O-N 2.89Å; M797-N802 HydrophobicContact CB-CB 4.2Å; M797-Q804 HydrophobicContact CE-CG 4.12Å | ||
| 798 | E | 90.1 | Very high | 94.8 | Very high | 145 Ų | 145 | 52.4 Ų | 52.4 | 68% | 0.678 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -121.6 | 117 | 167.1 | -167.9 | 59.8 | -128.3 | 0 | 0 | 108.4 | ||
| 799 | P | 93.7 | Very high | 94.6 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | S | Bend | cis | -66 | 158.1 | -5.7 | 27.2 | -32.5 | 0 | 0 | 0 | 113 | M797 N801 N802 L819 Y926 | M797-P799 CarbonylContact C-O 3.42Å; M797-P799 WeakPolarHBondContact CB-O 3.04Å; M797-P799 CarbonylContact O-C 3.58Å; M797-P799 VanDerWaalsContact O-C 3.3Å; P799-N801 PolarHBondContact O-N 2.78Å; P799-N801 VanDerWaalsContact O-N 3.11Å; P799-N802 HydrophobicContact CG-CB 4.02Å; P799-N802 WeakPolarHBondContact O-CB 3.4Å; P799-N802 PolarHBondContact O-N 2.92Å; P799-L819 HydrophobicContact CG-CD2 3.77Å; P799-Y926 VanDerWaalsContact CA-OH 3.24Å; P799-Y926 WeakPolarHBondContact CA-OH 3.11Å; P799-Y926 HydrophobicContact CB-CE1 3.82Å; P799-Y926 WeakPolarHBondContact CB-OH 3.34Å |
| 800 | L | 92.6 | Very high | 94.6 | Very high | 15 Ų | 15 | 52.7 Ų | 52.7 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -33.2 | -175.2 | -79.2 | 176.3 | 0 | 0 | 0 | 113.3 | S761 F762 K796 M797 N802 E922 V923 Y926 | S761-L800 WeakPolarHBondContact CB-O 3.44Å; S761-L800 PolarHBondContact OG-O 2.7Å; F762-L800 WeakPolarHBondContact CE2-O 3.34Å; K796-L800 HydrophobicContact CG-CD2 3.83Å; M797-L800 VanDerWaalsContact O-CA 3.29Å; M797-L800 WeakPolarHBondContact O-CA 3.46Å; M797-L800 PolarHBondContact O-N 2.89Å; L800-N802 VanDerWaalsContact C-N 3.32Å; L800-E922 HydrophobicContact CD1-CB 3.86Å; L800-V923 HydrophobicContact CD1-CG2 4.18Å; L800-Y926 HydrophobicContact CB-CD2 4.21Å; L800-Y926 HydrophobicContact CB-CE2 3.71Å; L800-Y926 HydrophobicContact CD1-CD2 4.12Å; L800-Y926 HydrophobicContact CD1-CE2 3.77Å; L800-Y926 HydrophobicContact CG-CE2 3.95Å; L800-Y926 PolarHBondContact N-OH 3.06Å |
| 801 | N | 94.7 | Very high | 94.4 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.07 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 12.7 | -179.5 | 69 | -23.7 | 0 | 0 | 0 | 114 | P799 L819 I820 L822 Y926 | P799-N801 PolarHBondContact O-N 2.78Å; P799-N801 VanDerWaalsContact O-N 3.11Å; N801-L819 WeakPolarHBondContact O-CA 3.23Å; N801-I820 VanDerWaalsContact CB-O 3.31Å; N801-I820 WeakPolarHBondContact CB-O 3.47Å; N801-I820 PolarHBondContact ND2-O 3.25Å; N801-I820 VanDerWaalsContact ND2-O 3.09Å; N801-I820 PolarHBondContact O-N 2.91Å; N801-L822 HydrophobicContact CB-CD2 4.24Å; N801-Y926 HydrophobicContact CB-CD1 4.38Å; N801-Y926 WeakPolarHBondContact OD1-CE1 3.38Å |
| 802 | N | 97.2 | Very high | 94.3 | Very high | 19 Ų | 19 | 48.8 Ų | 48.8 | 10% | 0.102 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 128.6 | 176.3 | -166 | 19.2 | 0 | 0 | 0 | 111.5 | M797 P799 L800 S817 L819 | M797-N802 HydrophobicContact CB-CB 4.2Å; P799-N802 HydrophobicContact CG-CB 4.02Å; P799-N802 WeakPolarHBondContact O-CB 3.4Å; P799-N802 PolarHBondContact O-N 2.92Å; L800-N802 VanDerWaalsContact C-N 3.32Å; N802-S817 WeakPolarHBondContact OD1-CB 3.48Å; N802-L819 HydrophobicContact CB-CD2 4.29Å |
| 803 | L | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 118.1 | 173.8 | -176.7 | 68.8 | 0 | 0 | 0 | 109.4 | F729 F757 N760 V764 V805 S817 C818 I820 | F729-L803 HydrophobicContact CE1-CD2 4.2Å; F729-L803 HydrophobicContact CZ-CD2 4.03Å; F757-L803 HydrophobicContact CB-CD1 4.17Å; F757-L803 HydrophobicContact CD2-CD1 3.87Å; F757-L803 HydrophobicContact CD2-CD2 3.95Å; F757-L803 HydrophobicContact CD2-CG 4.38Å; F757-L803 HydrophobicContact CE2-CD2 3.84Å; F757-L803 HydrophobicContact CG-CD1 4.12Å; F757-L803 HydrophobicContact CG-CD2 4.4Å; F757-L803 HydrophobicContact CZ-CD2 4.21Å; N760-L803 HydrophobicContact CB-CD1 4.08Å; V764-L803 HydrophobicContact CB-CD1 4.43Å; L803-V805 HydrophobicContact CD2-CG2 3.97Å; L803-V805 HydrophobicContact CG-CG2 3.89Å; L803-S817 CarbonylContact O-C 3.17Å; L803-S817 VanDerWaalsContact O-CA 3.29Å; L803-S817 WeakPolarHBondContact O-CA 3.34Å; L803-C818 PolarHBondContact N-O 3.39Å; L803-C818 PolarHBondContact O-N 3.12Å; L803-I820 HydrophobicContact CB-CD1 3.87Å; L803-I820 HydrophobicContact CB-CG1 3.92Å; L803-I820 HydrophobicContact CD1-CD1 4.34Å; L803-I820 HydrophobicContact CD2-CD1 4.1Å; L803-I820 HydrophobicContact CD2-CG1 4.3Å; L803-I820 HydrophobicContact CG-CD1 4.32Å |
| 804 | Q | 98 | Very high | 94.7 | Very high | 74 Ų | 74 | 47.9 Ų | 47.9 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.9 | 173.8 | -65 | 176.2 | -13.5 | 0 | 0 | 109.9 | N758 M797 | N758-Q804 HydrophobicContact CB-CB 3.85Å; N758-Q804 PolarHBondContact N-O 2.86Å; N758-Q804 PolarHBondContact ND2-OE1 3.23Å; M797-Q804 HydrophobicContact CE-CG 4.12Å |
| 805 | V | 97.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 133.9 | -169.7 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | M738 I755 F757 L803 V807 Y815 F816 | M738-V805 HydrophobicContact CE-CG2 4.22Å; I755-V805 HydrophobicContact CD1-CG1 3.82Å; I755-V805 HydrophobicContact CG1-CG1 3.76Å; F757-V805 HydrophobicContact CD1-CB 4.34Å; F757-V805 HydrophobicContact CD1-CG1 3.94Å; F757-V805 HydrophobicContact CD1-CG2 3.88Å; F757-V805 HydrophobicContact CE1-CG1 3.9Å; F757-V805 HydrophobicContact CE1-CG2 4.01Å; L803-V805 HydrophobicContact CD2-CG2 3.97Å; L803-V805 HydrophobicContact CG-CG2 3.89Å; V805-V807 HydrophobicContact CG1-CG2 4.21Å; V805-Y815 WeakPolarHBondContact O-CA 3.29Å; V805-F816 HydrophobicContact CB-CD1 4.39Å; V805-F816 HydrophobicContact CB-CD2 4.22Å; V805-F816 HydrophobicContact CB-CE1 3.99Å; V805-F816 HydrophobicContact CB-CE2 3.81Å; V805-F816 HydrophobicContact CB-CZ 3.69Å; V805-F816 HydrophobicContact CG1-CE1 3.76Å; V805-F816 HydrophobicContact CG1-CE2 4.15Å; V805-F816 HydrophobicContact CG1-CZ 3.53Å; V805-F816 HydrophobicContact CG2-CE2 4.05Å; V805-F816 HydrophobicContact CG2-CZ 4.26Å; V805-F816 PolarHBondContact N-O 3.08Å; V805-F816 PolarHBondContact O-N 3.08Å |
| 806 | A | 97.7 | Very high | 95 | Very high | 18 Ų | 18 | 45.8 Ų | 45.8 | 15% | 0.149 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | I755 Q756 V813 F814 Y815 | I755-A806 CarbonylContact C-O 3.56Å; I755-A806 WeakPolarHBondContact CA-O 3.48Å; Q756-A806 PolarHBondContact N-O 3.07Å; Q756-A806 PolarHBondContact O-N 3.33Å; A806-V813 HydrophobicContact CB-CG1 4.33Å; A806-F814 CarbonylContact C-O 3.59Å; A806-F814 WeakPolarHBondContact CA-O 3.37Å; A806-Y815 HydrophobicContact CB-CD1 3.64Å; A806-Y815 HydrophobicContact CB-CE1 3.56Å |
| 807 | V | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.5 | 172.4 | 170.7 | 0 | 0 | 0 | 0 | 108.4 | L723 I725 F742 F753 A754 I755 V805 F814 F816 | L723-V807 HydrophobicContact CD2-CG1 4.34Å; I725-V807 HydrophobicContact CD1-CB 4.21Å; I725-V807 HydrophobicContact CD1-CG1 4.22Å; I725-V807 HydrophobicContact CD1-CG2 3.93Å; F742-V807 HydrophobicContact CE1-CG1 3.99Å; F742-V807 HydrophobicContact CE1-CG2 4.4Å; F753-V807 HydrophobicContact CD1-CG1 4.35Å; A754-V807 CarbonylContact O-C 3.59Å; A754-V807 WeakPolarHBondContact O-CA 3.37Å; I755-V807 HydrophobicContact CB-CG2 4.47Å; I755-V807 HydrophobicContact CD1-CG2 4Å; I755-V807 HydrophobicContact CG1-CG2 3.87Å; V805-V807 HydrophobicContact CG1-CG2 4.21Å; V807-F814 PolarHBondContact N-O 2.89Å; V807-F814 PolarHBondContact O-N 3.44Å; V807-F816 HydrophobicContact CG2-CE1 3.86Å |
| 808 | K | 95.3 | Very high | 95.4 | Very high | 116 Ų | 116 | 42.7 Ų | 42.7 | 50% | 0.504 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 145.7 | 173.4 | 175.6 | 178.2 | 175 | -173.7 | 0 | 109.9 | F753 A754 V813 | F753-K808 CarbonylContact C-O 3.56Å; F753-K808 VanDerWaalsContact CA-O 3.23Å; F753-K808 WeakPolarHBondContact CA-O 3.41Å; A754-K808 HydrophobicContact CB-CB 4.39Å; A754-K808 PolarHBondContact N-O 3.27Å; A754-K808 PolarHBondContact O-N 3.03Å; K808-V813 HydrophobicContact CB-CG1 4.49Å; K808-V813 HydrophobicContact CB-CG2 4.03Å; K808-V813 HydrophobicContact CD-CG2 4.27Å; K808-V813 HydrophobicContact CG-CG2 3.98Å |
| 809 | N | 94.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | trans | -138.6 | -169 | 160.3 | 66 | 13.4 | 0 | 0 | 0 | 110.1 | T751 F753 I811 D812 | T751-N809 CarbonylContact O-C 3.51Å; T751-N809 WeakPolarHBondContact O-CA 3.33Å; T751-N809 WeakPolarHBondContact O-CB 3.11Å; F753-N809 HydrophobicContact CD1-CB 3.96Å; F753-N809 HydrophobicContact CE1-CB 3.93Å; F753-N809 HydrophobicContact CG-CB 4.37Å; F753-N809 HydrophobicContact CZ-CB 4.32Å; N809-I811 PolarHBondContact O-N 3.3Å; N809-I811 WeakPolarHBondContact OD1-CA 3.31Å; N809-I811 WeakPolarHBondContact OD1-CB 3.4Å; N809-I811 PolarHBondContact OD1-N 3.12Å; N809-D812 PolarHBondContact N-O 3.32Å; N809-D812 PolarHBondContact OD1-N 3.24Å; N809-D812 PolarHBondContact OD1-O 3.09Å | ||
| 810 | N | 94.2 | Very high | 95.7 | Very high | 55 Ų | 55 | 38.5 Ų | 38.5 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -65.2 | -13.9 | 175.4 | 66.2 | -36.2 | 0 | 0 | 0 | 114.9 | H749 M750 T751 | H749-N810 PolarHBondContact O-ND2 3.26Å; H749-N810 VanDerWaalsContact O-ND2 3.16Å; M750-N810 VanDerWaalsContact CA-OD1 3.27Å; M750-N810 WeakPolarHBondContact CA-OD1 3.48Å; T751-N810 VanDerWaalsContact N-CG 3.33Å; T751-N810 PolarHBondContact N-OD1 3.07Å; T751-N810 PolarHBondContact O-N 2.91Å; T751-N810 PolarHBondContact O-OD1 3.48Å; T751-N810 WeakPolarHBondContact OG1-CB 3.29Å; T751-N810 PolarHBondContact OG1-ND2 2.83Å |
| 811 | I | 91.5 | Very high | 95.7 | Very high | 45 Ų | 45 | 39 Ų | 39 | 23% | 0.231 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -92.4 | -52.8 | 179.7 | -58.4 | 178.2 | 0 | 0 | 0 | 110.6 | K721 M750 N809 F814 | K721-I811 HydrophobicContact CB-CG2 4.36Å; K721-I811 HydrophobicContact CD-CG2 3.86Å; M750-I811 HydrophobicContact CE-CD1 3.74Å; M750-I811 HydrophobicContact CG-CD1 3.73Å; M750-I811 HydrophobicContact CG-CG1 4.48Å; M750-I811 HydrophobicContact SD-CD1 4.44Å; N809-I811 PolarHBondContact O-N 3.3Å; N809-I811 WeakPolarHBondContact OD1-CA 3.31Å; N809-I811 WeakPolarHBondContact OD1-CB 3.4Å; N809-I811 PolarHBondContact OD1-N 3.12Å; I811-F814 HydrophobicContact CG2-CZ 4.47Å |
| 812 | D | 92.8 | Very high | 95.7 | Very high | 69 Ų | 69 | 38.5 Ų | 38.5 | 37% | 0.369 | 20% | 0.199 | S | C | . | . | trans | -164.3 | -177.8 | -176.7 | -142.5 | -29.7 | 0 | 0 | 0 | 112.3 | K721 N809 F814 | K721-D812 IonicContact NZ-OD2 3.9Å; K721-D812 PolarHBondContact NZ-OD2 2.95Å; N809-D812 PolarHBondContact N-O 3.32Å; N809-D812 PolarHBondContact OD1-N 3.24Å; N809-D812 PolarHBondContact OD1-O 3.09Å; D812-F814 HydrophobicContact CB-CE1 3.83Å; D812-F814 HydrophobicContact CB-CE2 4.14Å; D812-F814 HydrophobicContact CB-CZ 3.62Å | ||
| 813 | V | 95.4 | Very high | 95.5 | Very high | 49 Ų | 49 | 38 Ų | 38 | 30% | 0.297 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.8 | 164.7 | -170.1 | 0 | 0 | 0 | 0 | 109.4 | A806 K808 Y815 | A806-V813 HydrophobicContact CB-CG1 4.33Å; K808-V813 HydrophobicContact CB-CG1 4.49Å; K808-V813 HydrophobicContact CB-CG2 4.03Å; K808-V813 HydrophobicContact CD-CG2 4.27Å; K808-V813 HydrophobicContact CG-CG2 3.98Å; V813-Y815 HydrophobicContact CB-CE2 4.26Å; V813-Y815 HydrophobicContact CG1-CE1 4.15Å; V813-Y815 HydrophobicContact CG1-CE2 3.89Å; V813-Y815 WeakPolarHBondContact CG1-OH 3.45Å |
| 814 | F | 96.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 6% | 0.057 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.8 | -179.6 | -53.5 | -71.3 | 0 | 0 | 0 | 110.8 | L715 A720 K721 L723 A806 V807 I811 D812 | L715-F814 HydrophobicContact CD2-CB 3.77Å; L715-F814 HydrophobicContact CD2-CG 4.41Å; A720-F814 VanDerWaalsContact C-CE1 3.45Å; A720-F814 VanDerWaalsContact CA-CE1 3.44Å; A720-F814 HydrophobicContact CB-CB 4.26Å; A720-F814 HydrophobicContact CB-CD1 3.49Å; A720-F814 VanDerWaalsContact CB-CD1 3.49Å; A720-F814 HydrophobicContact CB-CD2 4.3Å; A720-F814 HydrophobicContact CB-CE1 3.83Å; A720-F814 HydrophobicContact CB-CG 3.74Å; A720-F814 HydrophobicContact CB-CZ 4.36Å; A720-F814 WeakPolarHBondContact O-CZ 3.06Å; K721-F814 HydrophobicContact CB-CE1 4.29Å; K721-F814 HydrophobicContact CB-CZ 4.19Å; K721-F814 HydrophobicContact CD-CE1 4.29Å; K721-F814 HydrophobicContact CD-CZ 4.39Å; K721-F814 HydrophobicContact CG-CE1 4.22Å; K721-F814 HydrophobicContact CG-CZ 4.48Å; L723-F814 HydrophobicContact CD2-CD2 3.92Å; L723-F814 HydrophobicContact CD2-CE2 4.19Å; A806-F814 CarbonylContact C-O 3.59Å; A806-F814 WeakPolarHBondContact CA-O 3.37Å; V807-F814 PolarHBondContact N-O 2.89Å; V807-F814 PolarHBondContact O-N 3.44Å; I811-F814 HydrophobicContact CG2-CZ 4.47Å; D812-F814 HydrophobicContact CB-CE1 3.83Å; D812-F814 HydrophobicContact CB-CE2 4.14Å; D812-F814 HydrophobicContact CB-CZ 3.62Å |
| 815 | Y | 96.7 | Very high | 95.2 | Very high | 122 Ų | 122 | 34.7 Ų | 34.7 | 48% | 0.478 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.6 | -178.4 | -55.4 | -92.3 | 0 | 0 | 0 | 110.1 | Y328 V805 A806 V813 | Y328-Y815 HydrophobicContact CE2-CE1 4.47Å; Y328-Y815 PolarHBondContact OH-OH 3.47Å; V805-Y815 WeakPolarHBondContact O-CA 3.29Å; A806-Y815 HydrophobicContact CB-CD1 3.64Å; A806-Y815 HydrophobicContact CB-CE1 3.56Å; V813-Y815 HydrophobicContact CB-CE2 4.26Å; V813-Y815 HydrophobicContact CG1-CE1 4.15Å; V813-Y815 HydrophobicContact CG1-CE2 3.89Å; V813-Y815 WeakPolarHBondContact CG1-OH 3.45Å |
| 816 | F | 97.2 | Very high | 95 | Very high | 18 Ų | 18 | 34.5 Ų | 34.5 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 164.6 | 171.1 | 62.9 | -88.1 | 0 | 0 | 0 | 110.6 | W714 L715 I725 M738 V805 V807 | W714-F816 HydrophobicContact CB-CD2 3.54Å; W714-F816 HydrophobicContact CB-CE2 3.66Å; W714-F816 HydrophobicContact CB-CG 4.34Å; W714-F816 HydrophobicContact CD2-CE2 4.18Å; W714-F816 AromaticContact CE3-CE2 3.83Å; W714-F816 HydrophobicContact CE3-CE2 3.83Å; W714-F816 HydrophobicContact CE3-CZ 4.31Å; W714-F816 HydrophobicContact CG-CD2 4.35Å; W714-F816 HydrophobicContact CG-CE2 4.18Å; L715-F816 HydrophobicContact CB-CB 4.33Å; L715-F816 HydrophobicContact CB-CD1 4.04Å; L715-F816 HydrophobicContact CB-CG 4.25Å; L715-F816 HydrophobicContact CD1-CB 4.26Å; L715-F816 HydrophobicContact CD2-CD1 4.14Å; I725-F816 HydrophobicContact CD1-CE1 3.81Å; I725-F816 HydrophobicContact CD1-CZ 4.43Å; I725-F816 HydrophobicContact CG2-CZ 4.42Å; M738-F816 HydrophobicContact CE-CE2 4.37Å; M738-F816 HydrophobicContact CE-CZ 4.43Å; V805-F816 HydrophobicContact CB-CD1 4.39Å; V805-F816 HydrophobicContact CB-CD2 4.22Å; V805-F816 HydrophobicContact CB-CE1 3.99Å; V805-F816 HydrophobicContact CB-CE2 3.81Å; V805-F816 HydrophobicContact CB-CZ 3.69Å; V805-F816 HydrophobicContact CG1-CE1 3.76Å; V805-F816 HydrophobicContact CG1-CE2 4.15Å; V805-F816 HydrophobicContact CG1-CZ 3.53Å; V805-F816 HydrophobicContact CG2-CE2 4.05Å; V805-F816 HydrophobicContact CG2-CZ 4.26Å; V805-F816 PolarHBondContact N-O 3.08Å; V805-F816 PolarHBondContact O-N 3.08Å; V807-F816 HydrophobicContact CG2-CE1 3.86Å |
| 817 | S | 96.2 | Very high | 94.8 | Very high | 69 Ų | 69 | 35.1 Ų | 35.1 | 48% | 0.483 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 148.2 | 169.8 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | N802 L803 | N802-S817 WeakPolarHBondContact OD1-CB 3.48Å; L803-S817 CarbonylContact O-C 3.17Å; L803-S817 VanDerWaalsContact O-CA 3.29Å; L803-S817 WeakPolarHBondContact O-CA 3.34Å |
| 818 | C | 96.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 155.3 | 174.9 | 59.9 | 0 | 0 | 0 | 0 | 109.9 | W714 L803 | W714-C818 HydrophobicContact CB-CB 4.49Å; W714-C818 HydrophobicContact CD2-CB 3.76Å; W714-C818 HydrophobicContact CG-CB 3.74Å; W714-C818 HydrophobicContact CZ2-CB 4.23Å; L803-C818 PolarHBondContact N-O 3.39Å; L803-C818 PolarHBondContact O-N 3.12Å |
| 819 | L | 95.6 | Very high | 94.3 | Very high | 96 Ų | 96 | 39.6 Ų | 39.6 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 126.1 | -179.6 | -59.1 | -178 | 0 | 0 | 0 | 109.8 | P799 N801 N802 P821 | P799-L819 HydrophobicContact CG-CD2 3.77Å; N801-L819 WeakPolarHBondContact O-CA 3.23Å; N802-L819 HydrophobicContact CB-CD2 4.29Å; L819-P821 WeakPolarHBondContact O-CD 3.45Å |
| 820 | I | 95 | Very high | 94.1 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 123.8 | 176 | -56.9 | 174.5 | 0 | 0 | 0 | 108.7 | F729 V764 N801 L803 L822 V824 L825 | F729-I820 HydrophobicContact CE1-CG1 4.21Å; F729-I820 HydrophobicContact CE2-CG1 4.28Å; F729-I820 HydrophobicContact CZ-CG1 3.96Å; V764-I820 HydrophobicContact CB-CD1 4.27Å; V764-I820 HydrophobicContact CG1-CD1 4.36Å; V764-I820 HydrophobicContact CG2-CD1 3.85Å; N801-I820 VanDerWaalsContact CB-O 3.31Å; N801-I820 WeakPolarHBondContact CB-O 3.47Å; N801-I820 PolarHBondContact ND2-O 3.25Å; N801-I820 VanDerWaalsContact ND2-O 3.09Å; N801-I820 PolarHBondContact O-N 2.91Å; L803-I820 HydrophobicContact CB-CD1 3.87Å; L803-I820 HydrophobicContact CB-CG1 3.92Å; L803-I820 HydrophobicContact CD1-CD1 4.34Å; L803-I820 HydrophobicContact CD2-CD1 4.1Å; L803-I820 HydrophobicContact CD2-CG1 4.3Å; L803-I820 HydrophobicContact CG-CD1 4.32Å; I820-L822 PolarHBondContact O-N 2.75Å; I820-V824 HydrophobicContact CG2-CG2 3.62Å; I820-L825 HydrophobicContact CG2-CG 4.41Å |
| 821 | P | 93.2 | Very high | 94.1 | Very high | 25 Ų | 25 | 43.5 Ų | 43.5 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 116.1 | 168.2 | -18.5 | 32.6 | 0 | 0 | 0 | 109.7 | A709 F729 L819 N823 V824 | A709-P821 HydrophobicContact CB-CG 3.9Å; F729-P821 HydrophobicContact CD2-CG 4.45Å; L819-P821 WeakPolarHBondContact O-CD 3.45Å; P821-N823 WeakPolarHBondContact CB-OD1 3.42Å; P821-N823 PolarHBondContact O-N 3.35Å; P821-V824 WeakPolarHBondContact O-CG2 3.26Å; P821-V824 PolarHBondContact O-N 3.37Å |
| 822 | L | 94.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -61.1 | -20.5 | -172.2 | -75.6 | -170.6 | 0 | 0 | 0 | 114.1 | F762 N801 I820 V824 L825 F826 V923 Y926 I927 V930 | F762-L822 HydrophobicContact CD2-CD2 4.36Å; F762-L822 HydrophobicContact CE1-CD2 4.42Å; F762-L822 HydrophobicContact CE2-CD2 3.58Å; F762-L822 HydrophobicContact CZ-CD2 3.61Å; N801-L822 HydrophobicContact CB-CD2 4.24Å; I820-L822 PolarHBondContact O-N 2.75Å; L822-V824 PolarHBondContact O-N 3.32Å; L822-L825 HydrophobicContact CD2-CD1 3.78Å; L822-L825 WeakPolarHBondContact O-CA 3.46Å; L822-L825 WeakPolarHBondContact O-CB 3.46Å; L822-L825 PolarHBondContact O-N 3.03Å; L822-F826 HydrophobicContact CB-CE1 4.11Å; L822-F826 WeakPolarHBondContact O-CD1 3.19Å; L822-F826 WeakPolarHBondContact O-CE1 3.39Å; L822-V923 HydrophobicContact CD1-CG1 4.22Å; L822-Y926 HydrophobicContact CD1-CG 4.22Å; L822-I927 HydrophobicContact CD1-CD1 3.99Å; L822-V930 HydrophobicContact CB-CG2 3.9Å |
| 823 | N | 93 | Very high | 94.2 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.043 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -59.5 | -25.6 | 175.8 | 64.5 | -63.6 | 0 | 0 | 0 | 113.2 | Y707 P821 L825 F826 V930 I934 | Y707-N823 PolarHBondContact O-ND2 3.34Å; P821-N823 WeakPolarHBondContact CB-OD1 3.42Å; P821-N823 PolarHBondContact O-N 3.35Å; N823-L825 PolarHBondContact O-N 2.89Å; N823-F826 HydrophobicContact CB-CD2 4.41Å; N823-F826 HydrophobicContact CB-CE2 4.23Å; N823-F826 PolarHBondContact O-N 2.93Å; N823-V930 HydrophobicContact CB-CG1 3.69Å; N823-V930 HydrophobicContact CB-CG2 4.31Å; N823-I934 HydrophobicContact CB-CD1 4.39Å |
| 824 | V | 94.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -72.3 | -16.3 | 174.7 | -58 | 0 | 0 | 0 | 0 | 112.9 | F729 H731 I736 I820 P821 L822 | F729-V824 HydrophobicContact CB-CG1 4Å; F729-V824 HydrophobicContact CB-CG2 4.15Å; H731-V824 HydrophobicContact CB-CB 4.21Å; H731-V824 HydrophobicContact CB-CG1 4.27Å; I736-V824 WeakPolarHBondContact CG1-O 3.4Å; I736-V824 HydrophobicContact CG2-CB 4.37Å; I736-V824 HydrophobicContact CG2-CG2 4.23Å; I820-V824 HydrophobicContact CG2-CG2 3.62Å; P821-V824 WeakPolarHBondContact O-CG2 3.26Å; P821-V824 PolarHBondContact O-N 3.37Å; L822-V824 PolarHBondContact O-N 3.32Å |
| 825 | L | 95.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -95.3 | 6.9 | 177.8 | -54.2 | -175.4 | 0 | 0 | 0 | 112.7 | I736 F762 V764 T790 I820 L822 N823 L893 T894 | I736-L825 HydrophobicContact CD1-CD2 3.72Å; F762-L825 HydrophobicContact CB-CD1 3.82Å; F762-L825 HydrophobicContact CD1-CD1 3.84Å; F762-L825 HydrophobicContact CD2-CD1 3.64Å; F762-L825 HydrophobicContact CE1-CD1 4.32Å; F762-L825 HydrophobicContact CE2-CD1 4.15Å; F762-L825 HydrophobicContact CG-CD1 3.47Å; F762-L825 VanDerWaalsContact CG-CD1 3.47Å; F762-L825 HydrophobicContact CZ-CD1 4.46Å; V764-L825 HydrophobicContact CG2-CD2 4.38Å; T790-L825 HydrophobicContact CG2-CD2 4.25Å; I820-L825 HydrophobicContact CG2-CG 4.41Å; L822-L825 HydrophobicContact CD2-CD1 3.78Å; L822-L825 WeakPolarHBondContact O-CA 3.46Å; L822-L825 WeakPolarHBondContact O-CB 3.46Å; L822-L825 PolarHBondContact O-N 3.03Å; N823-L825 PolarHBondContact O-N 2.89Å; L825-L893 CarbonylContact O-C 3.3Å; L825-L893 WeakPolarHBondContact O-CA 3.49Å; L825-T894 HydrophobicContact CB-CG2 4.45Å; L825-T894 PolarHBondContact O-N 3.12Å; L825-T894 VanDerWaalsContact O-N 3.08Å |
| 826 | F | 94.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -83.8 | 124.9 | 179.7 | -64.4 | 2.1 | 0 | 0 | 0 | 110 | L822 N823 N871 N872 V873 L891 K892 L893 I927 V930 | L822-F826 HydrophobicContact CB-CE1 4.11Å; L822-F826 WeakPolarHBondContact O-CD1 3.19Å; L822-F826 WeakPolarHBondContact O-CE1 3.39Å; N823-F826 HydrophobicContact CB-CD2 4.41Å; N823-F826 HydrophobicContact CB-CE2 4.23Å; N823-F826 PolarHBondContact O-N 2.93Å; F826-N871 VanDerWaalsContact CD2-O 3.25Å; F826-N871 WeakPolarHBondContact CD2-O 3.5Å; F826-N872 HydrophobicContact CB-CB 3.9Å; F826-N872 PolarHBondContact O-ND2 3.4Å; F826-V873 HydrophobicContact CD2-CG2 3.68Å; F826-V873 HydrophobicContact CE2-CG2 3.57Å; F826-L891 HydrophobicContact CD1-CD1 4.18Å; F826-L891 HydrophobicContact CD2-CD2 4.42Å; F826-L891 HydrophobicContact CE1-CD1 4Å; F826-L891 HydrophobicContact CE2-CD1 4.44Å; F826-L891 HydrophobicContact CE2-CD2 3.89Å; F826-L891 HydrophobicContact CG-CD1 4.48Å; F826-L891 HydrophobicContact CZ-CD1 4.15Å; F826-L891 HydrophobicContact CZ-CD2 4.03Å; F826-K892 WeakPolarHBondContact CA-O 3.5Å; F826-L893 HydrophobicContact CD1-CD2 3.41Å; F826-L893 VanDerWaalsContact CD1-CD2 3.41Å; F826-L893 HydrophobicContact CE1-CD2 3.54Å; F826-I927 HydrophobicContact CE1-CD1 3.59Å; F826-I927 HydrophobicContact CZ-CD1 3.66Å; F826-V930 HydrophobicContact CE2-CG1 3.81Å; F826-V930 HydrophobicContact CZ-CB 4.36Å; F826-V930 HydrophobicContact CZ-CG1 3.77Å; F826-V930 HydrophobicContact CZ-CG2 4.44Å |
| 827 | V | 92.6 | Very high | 93.3 | Very high | 31 Ų | 31 | 50.4 Ų | 50.4 | 19% | 0.188 | 25% | 0.25 | C | S | . | . | trans | -89.8 | 151.2 | -176.9 | -65 | 0 | 0 | 0 | 0 | 112.4 | D829 G830 K892 T894 | V827-D829 WeakPolarHBondContact CB-OD1 3.49Å; V827-D829 WeakPolarHBondContact CG2-OD1 3.23Å; V827-D829 PolarHBondContact O-N 3.26Å; V827-G830 PolarHBondContact O-N 3.04Å; V827-G830 VanDerWaalsContact O-N 3.17Å; V827-K892 HydrophobicContact CG2-CB 3.63Å; V827-K892 HydrophobicContact CG2-CD 3.7Å; V827-K892 HydrophobicContact CG2-CG 3.64Å; V827-K892 WeakPolarHBondContact CG2-O 3.36Å; V827-K892 PolarHBondContact N-O 2.79Å; V827-T894 HydrophobicContact CG1-CG2 3.85Å | ||
| 828 | E | 90.1 | Very high | 93 | Very high | 119 Ų | 119 | 51.3 Ų | 51.3 | 56% | 0.556 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22.9 | -176.5 | -61.4 | -177.9 | 171.4 | 0 | 0 | 113.5 | G830 Y874 | E828-G830 PolarHBondContact O-N 3.26Å; E828-Y874 WeakPolarHBondContact CA-OH 3.33Å; E828-Y874 PolarHBondContact O-OH 3.3Å |
| 829 | D | 91.7 | Very high | 92.9 | Very high | 90 Ų | 90 | 53.9 Ų | 53.9 | 48% | 0.481 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 21.5 | 175.3 | 74 | -32.7 | 0 | 0 | 0 | 113 | V827 K831 K892 W898 | V827-D829 WeakPolarHBondContact CB-OD1 3.49Å; V827-D829 WeakPolarHBondContact CG2-OD1 3.23Å; V827-D829 PolarHBondContact O-N 3.26Å; D829-K831 PolarHBondContact O-N 3.27Å; D829-K892 IonicContact OD1-NZ 3.9Å; D829-K892 IonicContact OD2-NZ 3.53Å; D829-K892 PolarHBondContact OD2-NZ 3.4Å; D829-W898 WeakPolarHBondContact O-CH2 3.44Å |
| 830 | G | 90.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -74.4 | 5.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V827 E828 S890 W898 | V827-G830 PolarHBondContact O-N 3.04Å; V827-G830 VanDerWaalsContact O-N 3.17Å; E828-G830 PolarHBondContact O-N 3.26Å; G830-S890 CarbonylContact O-C 3.56Å; G830-S890 PolarHBondContact O-OG 3.42Å; G830-W898 WeakPolarHBondContact O-CZ3 3.36Å | ||
| 831 | K | 94.3 | Very high | 92.6 | Very high | 141 Ų | 141 | 52.5 Ų | 52.5 | 61% | 0.613 | 26% | 0.262 | S | S | * | . | trans | -89.1 | 114.3 | 179.3 | -172 | 175.1 | -178.7 | 177.9 | 0 | 111.1 | D829 Y874 I876 | D829-K831 PolarHBondContact O-N 3.27Å; K831-Y874 HydrophobicContact CB-CD1 4.1Å; K831-Y874 HydrophobicContact CB-CD2 3.82Å; K831-Y874 HydrophobicContact CB-CE2 4.38Å; K831-Y874 HydrophobicContact CB-CG 3.65Å; K831-Y874 HydrophobicContact CD-CD1 4.35Å; K831-Y874 HydrophobicContact CD-CG 4.48Å; K831-Y874 HydrophobicContact CG-CD1 4.45Å; K831-Y874 HydrophobicContact CG-CG 4.09Å; K831-I876 HydrophobicContact CG-CD1 3.94Å | ||
| 832 | M | 92.7 | Very high | 92.6 | Very high | 14 Ų | 14 | 59.7 Ų | 59.7 | 7% | 0.069 | 29% | 0.291 | C | S | . | . | trans | -89.6 | 144.6 | 177.1 | -164.6 | 173.8 | -72.9 | 0 | 0 | 111.6 | V836 F837 I876 S890 W898 L900 | M832-V836 HydrophobicContact CG-CB 3.79Å; M832-V836 HydrophobicContact CG-CG1 3.72Å; M832-V836 HydrophobicContact SD-CB 4.24Å; M832-V836 HydrophobicContact SD-CG1 3.78Å; M832-F837 HydrophobicContact CG-CB 4.26Å; M832-F837 WeakPolarHBondContact SD-CA 3.07Å; M832-F837 HydrophobicContact SD-CB 3.97Å; M832-F837 HydrophobicContact SD-CD2 4.34Å; M832-F837 PolarHBondContact SD-N 3.34Å; M832-F837 VanDerWaalsContact SD-N 3.4Å; M832-I876 WeakPolarHBondContact O-CD1 3.42Å; M832-S890 PolarHBondContact N-OG 3.19Å; M832-W898 HydrophobicContact CB-CH2 4.48Å; M832-W898 HydrophobicContact CB-CZ3 4Å; M832-W898 HydrophobicContact CE-CB 4.34Å; M832-W898 HydrophobicContact CE-CD2 3.6Å; M832-W898 HydrophobicContact CE-CE3 3.35Å; M832-W898 HydrophobicContact CE-CG 4.06Å; M832-W898 HydrophobicContact CE-CH2 4.42Å; M832-W898 HydrophobicContact CE-CZ3 3.79Å; M832-L900 HydrophobicContact SD-CD2 4.49Å | ||
| 833 | E | 92.2 | Very high | 92.5 | Very high | 101 Ų | 101 | 64 Ų | 64 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | trans | -69.1 | 147.4 | 170.1 | -67.1 | -169.4 | 162.8 | 0 | 0 | 111.1 | Q835 V836 F837 | E833-Q835 VanDerWaalsContact C-N 3.3Å; E833-Q835 PolarHBondContact O-N 3.48Å; E833-V836 HydrophobicContact CB-CB 4.4Å; E833-V836 HydrophobicContact CB-CG2 4.05Å; E833-V836 PolarHBondContact O-N 3.4Å; E833-F837 PolarHBondContact O-N 3.01Å | ||
| 834 | R | 90 | Very high | 92.5 | Very high | 125 Ų | 125 | 63.8 Ų | 63.8 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.4 | -38.1 | -175.2 | -174.5 | 175.4 | -179.2 | 158 | 2.9 | 114.3 | L838 I876 | R834-L838 WeakPolarHBondContact O-CG 3.31Å; R834-L838 PolarHBondContact O-N 3.43Å; R834-I876 HydrophobicContact CB-CG2 3.97Å; R834-I876 HydrophobicContact CG-CG2 4.38Å |
| 835 | Q | 90.2 | Very high | 92.3 | Very high | 163 Ų | 163 | 66.5 Ų | 66.5 | 76% | 0.762 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -69.7 | -41.2 | 178 | -68.7 | -179.9 | -1.7 | 0 | 0 | 111.3 | E833 L838 A839 | E833-Q835 VanDerWaalsContact C-N 3.3Å; E833-Q835 PolarHBondContact O-N 3.48Å; Q835-L838 PolarHBondContact O-N 3.27Å; Q835-A839 WeakPolarHBondContact O-CB 3.5Å; Q835-A839 PolarHBondContact O-N 2.86Å |
| 836 | V | 92.2 | Very high | 92.1 | Very high | 53 Ų | 53 | 72.4 Ų | 72.4 | 32% | 0.321 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | M832 E833 L838 A839 T840 | M832-V836 HydrophobicContact CG-CB 3.79Å; M832-V836 HydrophobicContact CG-CG1 3.72Å; M832-V836 HydrophobicContact SD-CB 4.24Å; M832-V836 HydrophobicContact SD-CG1 3.78Å; E833-V836 HydrophobicContact CB-CB 4.4Å; E833-V836 HydrophobicContact CB-CG2 4.05Å; E833-V836 PolarHBondContact O-N 3.4Å; V836-L838 VanDerWaalsContact C-N 3.34Å; V836-L838 PolarHBondContact O-N 3.38Å; V836-A839 PolarHBondContact O-N 3.13Å; V836-A839 VanDerWaalsContact O-N 3.12Å; V836-T840 WeakPolarHBondContact O-CB 3.37Å; V836-T840 PolarHBondContact O-N 2.78Å; V836-T840 PolarHBondContact O-OG1 3.37Å |
| 837 | F | 95.2 | Very high | 91.9 | Very high | 6 Ų | 6 | 80 Ų | 80 | 3% | 0.026 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -54.2 | -49 | 175.5 | -176.1 | -85 | 0 | 0 | 0 | 112.3 | M832 E833 A839 W841 I876 Y888 Q889 L900 | M832-F837 HydrophobicContact CG-CB 4.26Å; M832-F837 WeakPolarHBondContact SD-CA 3.07Å; M832-F837 HydrophobicContact SD-CB 3.97Å; M832-F837 HydrophobicContact SD-CD2 4.34Å; M832-F837 PolarHBondContact SD-N 3.34Å; M832-F837 VanDerWaalsContact SD-N 3.4Å; E833-F837 PolarHBondContact O-N 3.01Å; F837-A839 VanDerWaalsContact C-N 3.35Å; F837-A839 PolarHBondContact O-N 3.47Å; F837-W841 HydrophobicContact CE1-CD2 4.45Å; F837-W841 AromaticContact CE1-CE3 3.99Å; F837-W841 HydrophobicContact CE1-CE3 3.99Å; F837-W841 HydrophobicContact CE2-CE3 4.49Å; F837-W841 AromaticContact CZ-CE3 3.67Å; F837-W841 HydrophobicContact CZ-CE3 3.67Å; F837-W841 HydrophobicContact CZ-CZ3 4.09Å; F837-W841 WeakPolarHBondContact O-CB 3.47Å; F837-W841 PolarHBondContact O-N 3.43Å; F837-I876 HydrophobicContact CB-CG2 4.18Å; F837-I876 HydrophobicContact CD2-CG1 4.15Å; F837-I876 HydrophobicContact CG-CG2 4.42Å; F837-Y888 AromaticContact CE1-CD1 3.76Å; F837-Y888 HydrophobicContact CE1-CD1 3.76Å; F837-Y888 HydrophobicContact CE1-CG 4.21Å; F837-Y888 HydrophobicContact CZ-CD1 4.14Å; F837-Q889 VanDerWaalsContact CE2-O 3.28Å; F837-Q889 WeakPolarHBondContact CE2-O 3.35Å; F837-L900 HydrophobicContact CD2-CD2 3.74Å; F837-L900 HydrophobicContact CD2-CG 4.07Å; F837-L900 HydrophobicContact CE2-CB 3.73Å; F837-L900 HydrophobicContact CE2-CD2 3.7Å; F837-L900 HydrophobicContact CE2-CG 3.78Å; F837-L900 HydrophobicContact CG-CD2 4.24Å; F837-L900 HydrophobicContact CZ-CB 4.14Å; F837-L900 HydrophobicContact CZ-CD2 4.16Å; F837-L900 HydrophobicContact CZ-CG 4.5Å |
| 838 | L | 90.4 | Very high | 91.9 | Very high | 88 Ų | 88 | 80 Ų | 80 | 46% | 0.461 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66 | -36.7 | 179 | -72.2 | 169.9 | 0 | 0 | 0 | 112.8 | R834 Q835 V836 K842 | R834-L838 WeakPolarHBondContact O-CG 3.31Å; R834-L838 PolarHBondContact O-N 3.43Å; Q835-L838 PolarHBondContact O-N 3.27Å; V836-L838 VanDerWaalsContact C-N 3.34Å; V836-L838 PolarHBondContact O-N 3.38Å; L838-K842 WeakPolarHBondContact O-CG 3.34Å; L838-K842 PolarHBondContact O-N 2.86Å |
| 839 | A | 92.8 | Very high | 92.1 | Very high | 59 Ų | 59 | 76.6 Ų | 76.6 | 49% | 0.488 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.3 | -51.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q835 V836 F837 W841 K842 D843 | Q835-A839 WeakPolarHBondContact O-CB 3.5Å; Q835-A839 PolarHBondContact O-N 2.86Å; V836-A839 PolarHBondContact O-N 3.13Å; V836-A839 VanDerWaalsContact O-N 3.12Å; F837-A839 VanDerWaalsContact C-N 3.35Å; F837-A839 PolarHBondContact O-N 3.47Å; A839-W841 VanDerWaalsContact C-N 3.35Å; A839-W841 PolarHBondContact O-N 3.39Å; A839-K842 PolarHBondContact O-N 3.45Å; A839-D843 WeakPolarHBondContact O-CB 3.45Å; A839-D843 PolarHBondContact O-N 3.21Å |
| 840 | T | 92.4 | Very high | 92.3 | Very high | 32 Ų | 32 | 75.5 Ų | 75.5 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 179.2 | -53.1 | 0 | 0 | 0 | 0 | 112.2 | V836 K842 D843 I844 L900 | V836-T840 WeakPolarHBondContact O-CB 3.37Å; V836-T840 PolarHBondContact O-N 2.78Å; V836-T840 PolarHBondContact O-OG1 3.37Å; T840-K842 VanDerWaalsContact C-N 3.31Å; T840-K842 PolarHBondContact O-N 3.5Å; T840-D843 PolarHBondContact O-N 2.78Å; T840-I844 HydrophobicContact CG2-CD1 3.99Å; T840-I844 HydrophobicContact CG2-CG1 4.42Å; T840-I844 WeakPolarHBondContact O-CG1 3.23Å; T840-I844 PolarHBondContact O-N 2.94Å; T840-L900 HydrophobicContact CG2-CD1 3.86Å; T840-L900 HydrophobicContact CG2-CD2 4.08Å |
| 841 | W | 93.4 | Very high | 92.6 | Very high | 40 Ų | 40 | 81.7 Ų | 81.7 | 15% | 0.152 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 175.8 | -173.6 | -82.9 | 0 | 0 | 0 | 113.1 | F837 A839 L900 E902 K917 | F837-W841 HydrophobicContact CE1-CD2 4.45Å; F837-W841 AromaticContact CE1-CE3 3.99Å; F837-W841 HydrophobicContact CE1-CE3 3.99Å; F837-W841 HydrophobicContact CE2-CE3 4.49Å; F837-W841 AromaticContact CZ-CE3 3.67Å; F837-W841 HydrophobicContact CZ-CE3 3.67Å; F837-W841 HydrophobicContact CZ-CZ3 4.09Å; F837-W841 WeakPolarHBondContact O-CB 3.47Å; F837-W841 PolarHBondContact O-N 3.43Å; A839-W841 VanDerWaalsContact C-N 3.35Å; A839-W841 PolarHBondContact O-N 3.39Å; W841-L900 HydrophobicContact CB-CD2 4.05Å; W841-L900 HydrophobicContact CE3-CB 3.64Å; W841-L900 HydrophobicContact CE3-CD2 4.01Å; W841-L900 HydrophobicContact CE3-CG 4.5Å; W841-L900 HydrophobicContact CZ3-CB 3.79Å; W841-E902 HydrophobicContact CH2-CB 3.76Å; W841-E902 HydrophobicContact CZ2-CB 4.29Å; W841-E902 HydrophobicContact CZ3-CB 4.44Å; W841-K917 HydrophobicContact CD2-CD 3.94Å; W841-K917 HydrophobicContact CE3-CB 4.39Å; W841-K917 HydrophobicContact CE3-CD 4.28Å; W841-K917 HydrophobicContact CG-CD 4.36Å; W841-K917 HydrophobicContact CH2-CD 4.4Å; W841-K917 HydrophobicContact CH2-CG 4.15Å; W841-K917 HydrophobicContact CZ2-CD 4.07Å; W841-K917 HydrophobicContact CZ2-CG 4.22Å; W841-K917 HydrophobicContact CZ3-CB 4.22Å; W841-K917 HydrophobicContact CZ3-CD 4.5Å; W841-K917 HydrophobicContact CZ3-CG 4.3Å; W841-K917 PolarHBondContact O-NZ 2.91Å |
| 842 | K | 91.7 | Very high | 92.7 | Very high | 176 Ų | 176 | 76.9 Ų | 76.9 | 77% | 0.765 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -77.8 | -32.3 | 177 | -72.9 | 179.3 | 178.8 | -173.9 | 0 | 112.7 | L838 A839 T840 | L838-K842 WeakPolarHBondContact O-CG 3.34Å; L838-K842 PolarHBondContact O-N 2.86Å; A839-K842 PolarHBondContact O-N 3.45Å; T840-K842 VanDerWaalsContact C-N 3.31Å; T840-K842 PolarHBondContact O-N 3.5Å |
| 843 | D | 93.4 | Very high | 92.8 | Very high | 94 Ų | 94 | 81.2 Ų | 81.2 | 50% | 0.503 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.5 | -35.2 | -179.6 | 178.5 | 75 | 0 | 0 | 0 | 112.6 | A839 T840 P845 R919 | A839-D843 WeakPolarHBondContact O-CB 3.45Å; A839-D843 PolarHBondContact O-N 3.21Å; T840-D843 PolarHBondContact O-N 2.78Å; D843-P845 WeakPolarHBondContact O-CD 3.4Å; D843-R919 IonicContact OD2-CZ 2.77Å; D843-R919 IonicContact OD2-NE 3.31Å; D843-R919 IonicContact OD2-NH2 2.86Å; D843-R919 PolarHBondContact OD2-NH2 3.35Å |
| 844 | I | 92 | Very high | 92.8 | Very high | 3 Ų | 3 | 76.4 Ų | 76.4 | 2% | 0.015 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -72.2 | 122.2 | 175.6 | -63.8 | 168.6 | 0 | 0 | 0 | 109.8 | T840 N848 L900 K917 R919 | T840-I844 HydrophobicContact CG2-CD1 3.99Å; T840-I844 HydrophobicContact CG2-CG1 4.42Å; T840-I844 WeakPolarHBondContact O-CG1 3.23Å; T840-I844 PolarHBondContact O-N 2.94Å; I844-N848 HydrophobicContact CG2-CB 3.9Å; I844-L900 HydrophobicContact CD1-CD1 3.88Å; I844-K917 HydrophobicContact CB-CD 4.3Å; I844-K917 HydrophobicContact CD1-CB 4.34Å; I844-K917 HydrophobicContact CG2-CB 4.2Å; I844-K917 HydrophobicContact CG2-CD 4.28Å; I844-K917 HydrophobicContact CG2-CG 4.5Å; I844-K917 PolarHBondContact O-NZ 3.39Å; I844-R919 HydrophobicContact CD1-CG 4.35Å; I844-R919 HydrophobicContact CG1-CG 4.01Å |
| 845 | P | 91.1 | Very high | 92.9 | Very high | 60 Ų | 60 | 76 Ų | 76 | 39% | 0.39 | 38% | 0.382 | S | S | . | . | trans | -51.2 | 142 | 177.6 | -29.7 | 37.1 | 0 | 0 | 0 | 112.9 | D843 E847 N848 | D843-P845 WeakPolarHBondContact O-CD 3.4Å; P845-E847 HydrophobicContact CB-CG 3.7Å; P845-E847 PolarHBondContact O-N 3.41Å; P845-N848 WeakPolarHBondContact O-CB 3.49Å; P845-N848 PolarHBondContact O-N 3.07Å | ||
| 846 | N | 90.1 | Very high | 92.7 | Very high | 124 Ų | 124 | 75.7 Ų | 75.7 | 66% | 0.663 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -65.5 | -22.8 | -179.5 | -68.7 | -21.1 | 0 | 0 | 0 | 113 | N848 E849 K917 | N846-N848 PolarHBondContact O-N 3.26Å; N846-E849 VanDerWaalsContact O-CB 3.29Å; N846-E849 WeakPolarHBondContact O-CB 3.37Å; N846-E849 PolarHBondContact O-N 2.9Å; N846-E849 VanDerWaalsContact O-N 3.07Å; N846-K917 PolarHBondContact OD1-NZ 3.16Å |
| 847 | E | 91 | Very high | 92.5 | Very high | 160 Ų | 160 | 73.3 Ų | 73.3 | 75% | 0.748 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -62.8 | -22.8 | 171.9 | 62.6 | -168.4 | 171.9 | 0 | 0 | 113.3 | P845 E849 | P845-E847 HydrophobicContact CB-CG 3.7Å; P845-E847 PolarHBondContact O-N 3.41Å; E847-E849 VanDerWaalsContact C-N 3.32Å |
| 848 | N | 92.6 | Very high | 92.1 | Very high | 31 Ų | 31 | 80.6 Ų | 80.6 | 17% | 0.166 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -90.9 | 5.5 | 175.4 | -68.3 | -9.1 | 0 | 0 | 0 | 112.9 | I844 P845 N846 C918 P921 | I844-N848 HydrophobicContact CG2-CB 3.9Å; P845-N848 WeakPolarHBondContact O-CB 3.49Å; P845-N848 PolarHBondContact O-N 3.07Å; N846-N848 PolarHBondContact O-N 3.26Å; N848-C918 WeakPolarHBondContact CB-O 3.49Å; N848-P921 HydrophobicContact CB-CB 4.38Å |
| 849 | E | 94.7 | Very high | 92 | Very high | 49 Ų | 49 | 78.1 Ų | 78.1 | 23% | 0.229 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 117.4 | 172.1 | -168.6 | 176.4 | 154.4 | 0 | 0 | 110.2 | N846 E847 S915 L916 K917 | N846-E849 VanDerWaalsContact O-CB 3.29Å; N846-E849 WeakPolarHBondContact O-CB 3.37Å; N846-E849 PolarHBondContact O-N 2.9Å; N846-E849 VanDerWaalsContact O-N 3.07Å; E847-E849 VanDerWaalsContact C-N 3.32Å; E849-S915 WeakPolarHBondContact OE1-CB 3.19Å; E849-L916 CarbonylContact C-O 3.5Å; E849-L916 WeakPolarHBondContact CA-O 3.44Å; E849-K917 HydrophobicContact CB-CD 4.4Å; E849-K917 HydrophobicContact CB-CG 3.76Å; E849-K917 HydrophobicContact CG-CG 3.79Å; E849-K917 WeakPolarHBondContact OE2-CE 3.41Å; E849-K917 IonicContact OE2-NZ 3.01Å |
| 850 | L | 95.6 | Very high | 91.8 | Very high | 66 Ų | 66 | 79.7 Ų | 79.7 | 35% | 0.346 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.5 | 175 | -63 | -177.2 | 0 | 0 | 0 | 110.2 | F852 L916 | L850-F852 HydrophobicContact CB-CE2 3.57Å; L850-F852 HydrophobicContact CB-CZ 3.81Å; L850-F852 HydrophobicContact CD1-CZ 4.25Å; L850-L916 PolarHBondContact N-O 3.43Å; L850-L916 PolarHBondContact O-N 3.02Å |
| 851 | Q | 96.2 | Very high | 91.7 | Very high | 130 Ų | 130 | 78.2 Ų | 78.2 | 61% | 0.607 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 135.7 | 178.7 | -63.8 | -169.2 | 7.2 | 0 | 0 | 111.4 | L914 S915 | Q851-L914 CarbonylContact C-O 3.35Å; Q851-L914 WeakPolarHBondContact CA-O 3.48Å; Q851-S915 WeakPolarHBondContact CG-OG 3.26Å |
| 852 | F | 96.9 | Very high | 91.5 | Very high | 40 Ų | 40 | 81 Ų | 81 | 18% | 0.175 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 156.3 | -179.7 | -56.8 | -85.1 | 0 | 0 | 0 | 110.9 | L850 L914 L916 Y928 | L850-F852 HydrophobicContact CB-CE2 3.57Å; L850-F852 HydrophobicContact CB-CZ 3.81Å; L850-F852 HydrophobicContact CD1-CZ 4.25Å; F852-L914 PolarHBondContact N-O 3.04Å; F852-L914 PolarHBondContact O-N 3.46Å; F852-L916 HydrophobicContact CD2-CD1 4.11Å; F852-L916 HydrophobicContact CE2-CD1 3.95Å; F852-Y928 HydrophobicContact CB-CD1 4.48Å; F852-Y928 HydrophobicContact CB-CD2 3.32Å; F852-Y928 HydrophobicContact CB-CE2 3.72Å; F852-Y928 HydrophobicContact CB-CG 3.75Å; F852-Y928 AromaticContact CD1-CD1 3.74Å; F852-Y928 HydrophobicContact CD1-CD1 3.74Å; F852-Y928 HydrophobicContact CD1-CD2 4.12Å; F852-Y928 HydrophobicContact CD1-CE1 4.27Å; F852-Y928 AromaticContact CD1-CG 3.64Å; F852-Y928 HydrophobicContact CD1-CG 3.64Å; F852-Y928 HydrophobicContact CD2-CD2 4.43Å; F852-Y928 HydrophobicContact CD2-CG 4.13Å; F852-Y928 HydrophobicContact CE1-CD1 4.19Å; F852-Y928 HydrophobicContact CE1-CG 4.26Å; F852-Y928 HydrophobicContact CG-CD1 4.16Å; F852-Y928 AromaticContact CG-CD2 3.72Å; F852-Y928 HydrophobicContact CG-CD2 3.72Å; F852-Y928 HydrophobicContact CG-CE2 4.4Å; F852-Y928 AromaticContact CG-CG 3.57Å; F852-Y928 HydrophobicContact CG-CG 3.57Å |
| 853 | Q | 94.8 | Very high | 91.4 | Very high | 106 Ų | 106 | 75.3 Ų | 75.3 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 122.5 | 173.1 | -73.7 | -170.9 | -3.8 | 0 | 0 | 110.7 | Y912 Y928 | Q853-Y912 WeakPolarHBondContact CA-O 3.4Å; Q853-Y928 PolarHBondContact O-OH 3.31Å |
| 854 | I | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 111.7 | 171.1 | -58.4 | 174.9 | 0 | 0 | 0 | 106.7 | C857 L903 N911 Y912 L914 Y928 Y931 L935 | I854-C857 HydrophobicContact CG2-CB 4.44Å; I854-L903 HydrophobicContact CD1-CD1 4.35Å; I854-N911 CarbonylContact O-C 3.6Å; I854-N911 WeakPolarHBondContact O-CA 3.36Å; I854-Y912 PolarHBondContact N-O 3.02Å; I854-Y912 PolarHBondContact O-N 3.27Å; I854-L914 HydrophobicContact CD1-CB 4.3Å; I854-L914 HydrophobicContact CD1-CD2 4.26Å; I854-Y928 HydrophobicContact CG1-CD2 4.34Å; I854-Y928 HydrophobicContact CG1-CE2 4.04Å; I854-Y931 HydrophobicContact CD1-CD1 4.46Å; I854-L935 HydrophobicContact CD1-CD1 3.86Å |
| 855 | K | 91.1 | Very high | 91.5 | Very high | 117 Ų | 117 | 71.5 Ų | 71.5 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | trans | -93.8 | 155 | -174.9 | -61.4 | -179 | -179.6 | 177.6 | 0 | 111.6 | C857 N911 K936 | K855-C857 PolarHBondContact O-N 3.32Å; K855-N911 WeakPolarHBondContact CA-OD1 3.44Å; K855-K936 WeakPolarHBondContact O-CE 3.36Å | ||
| 856 | E | 86.9 | Confident | 91.5 | Very high | 155 Ų | 155 | 71.7 Ų | 71.7 | 72% | 0.724 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 61.3 | 36.4 | 172.1 | -58.3 | 179.4 | 171.4 | 0 | 0 | 114.6 | P910 | E856-P910 PolarHBondContact N-O 3.37Š|
| 857 | C | 87.1 | Confident | 91.6 | Very high | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.02 | 34% | 0.338 | C | S | . | . | trans | -104.9 | 125.2 | 176.3 | -165.6 | 0 | 0 | 0 | 0 | 111.2 | I854 K855 P910 Y912 | I854-C857 HydrophobicContact CG2-CB 4.44Å; K855-C857 PolarHBondContact O-N 3.32Å; C857-P910 PolarHBondContact N-O 3.25Å; C857-P910 CarbonylContact O-C 3.56Å; C857-P910 WeakPolarHBondContact O-CA 3.04Å; C857-Y912 HydrophobicContact CB-CD2 3.97Å; C857-Y912 HydrophobicContact CB-CE1 4.3Å; C857-Y912 HydrophobicContact CB-CE2 3.59Å; C857-Y912 WeakPolarHBondContact O-CE1 3.27Å; C857-Y912 PolarHBondContact O-OH 3.17Å; C857-Y912 VanDerWaalsContact O-OH 3.06Å; C857-Y912 WeakPolarHBondContact SG-CE2 3.26Å | ||
| 858 | H | 86.4 | Confident | 91.8 | Very high | 159 Ų | 159 | 60.6 Ų | 60.6 | 74% | 0.736 | 30% | 0.303 | S | S | * | . | trans | -116.1 | 39.4 | -177.8 | -65.7 | -82 | 0 | 0 | 0 | 112.5 | ||||
| 859 | L | 89.1 | Confident | 91.8 | Very high | 36 Ų | 36 | 64.2 Ų | 64.2 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | trans | -104.9 | 133 | -177.5 | -59.5 | 178.8 | 0 | 0 | 0 | 111.9 | T863 V864 K867 Y912 L935 | L859-T863 HydrophobicContact CD2-CG2 3.97Å; L859-V864 HydrophobicContact CB-CG2 3.63Å; L859-V864 HydrophobicContact CD1-CG2 4.32Å; L859-K867 HydrophobicContact CD1-CD 3.89Å; L859-Y912 PolarHBondContact N-OH 3.38Å; L859-Y912 PolarHBondContact O-OH 2.87Å; L859-L935 HydrophobicContact CD1-CD2 4.42Å; L859-L935 WeakPolarHBondContact CD1-O 3.43Å | ||
| 860 | N | 88.4 | Confident | 91.6 | Very high | 93 Ų | 93 | 65 Ų | 65 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | trans | -68.3 | 162.7 | 170.9 | 70.3 | 45 | 0 | 0 | 0 | 111.3 | D862 T863 V864 | N860-D862 PolarHBondContact O-N 3.06Å; N860-D862 PolarHBondContact OD1-N 3.49Å; N860-D862 VanDerWaalsContact OD1-N 3.12Å; N860-T863 PolarHBondContact O-N 3.29Å; N860-T863 PolarHBondContact OD1-N 2.99Å; N860-T863 PolarHBondContact OD1-OG1 3.43Å; N860-V864 WeakPolarHBondContact O-CG2 3.46Å; N860-V864 PolarHBondContact O-N 3.49Å | ||
| 861 | A | 88.9 | Confident | 91.4 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.9 | -33.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | S865 D885 L887 I905 | A861-S865 WeakPolarHBondContact O-CB 3.46Å; A861-S865 PolarHBondContact O-N 3.03Å; A861-S865 PolarHBondContact O-OG 3.16Å; A861-D885 HydrophobicContact CB-CB 3.82Å; A861-D885 WeakPolarHBondContact CB-OD2 3.32Å; A861-L887 HydrophobicContact CB-CD1 4.24Å; A861-L887 HydrophobicContact CB-CD2 4.28Å; A861-L887 HydrophobicContact CB-CG 4.47Å; A861-I905 HydrophobicContact CB-CD1 4.1Å |
| 862 | D | 89.8 | Confident | 91.4 | Very high | 99 Ų | 99 | 57.1 Ų | 57.1 | 53% | 0.529 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -73.8 | -39.3 | -179.3 | -60.4 | -41.1 | 0 | 0 | 0 | 111.6 | N860 S865 S866 K878 | N860-D862 PolarHBondContact O-N 3.06Å; N860-D862 PolarHBondContact OD1-N 3.49Å; N860-D862 VanDerWaalsContact OD1-N 3.12Å; D862-S865 PolarHBondContact O-N 3.26Å; D862-S866 WeakPolarHBondContact O-CB 3.09Å; D862-S866 PolarHBondContact O-N 3.11Å; D862-K878 VanDerWaalsContact CG-NZ 3.29Å; D862-K878 IonicContact OD1-NZ 2.67Å; D862-K878 PolarHBondContact OD1-NZ 2.96Å; D862-K878 IonicContact OD2-NZ 2.69Å; D862-K878 PolarHBondContact OD2-NZ 3.25Å |
| 863 | T | 90.5 | Very high | 91.3 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 34% | 0.344 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 172.9 | -52.3 | 0 | 0 | 0 | 0 | 111.3 | L859 N860 S866 K867 | L859-T863 HydrophobicContact CD2-CG2 3.97Å; N860-T863 PolarHBondContact O-N 3.29Å; N860-T863 PolarHBondContact OD1-N 2.99Å; N860-T863 PolarHBondContact OD1-OG1 3.43Å; T863-S866 PolarHBondContact O-N 3.45Å; T863-K867 PolarHBondContact O-N 3.07Å |
| 864 | V | 92.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.4 | -50.9 | 174.4 | 167.9 | 0 | 0 | 0 | 0 | 111 | L859 N860 S866 K867 L868 L887 L903 I905 Y912 L935 | L859-V864 HydrophobicContact CB-CG2 3.63Å; L859-V864 HydrophobicContact CD1-CG2 4.32Å; N860-V864 WeakPolarHBondContact O-CG2 3.46Å; N860-V864 PolarHBondContact O-N 3.49Å; V864-S866 VanDerWaalsContact C-N 3.3Å; V864-S866 PolarHBondContact O-N 2.91Å; V864-K867 PolarHBondContact O-N 3.01Å; V864-L868 HydrophobicContact CG1-CD1 3.69Å; V864-L868 WeakPolarHBondContact O-CB 3.5Å; V864-L868 WeakPolarHBondContact O-CG 3.2Å; V864-L868 PolarHBondContact O-N 3.42Å; V864-L887 HydrophobicContact CB-CD1 4.25Å; V864-L887 HydrophobicContact CG1-CD1 3.8Å; V864-L903 HydrophobicContact CG1-CD2 3.5Å; V864-I905 HydrophobicContact CB-CD1 4.06Å; V864-I905 HydrophobicContact CG1-CD1 4.09Å; V864-I905 HydrophobicContact CG2-CD1 3.84Å; V864-Y912 HydrophobicContact CG2-CE2 4.02Å; V864-L935 HydrophobicContact CB-CD2 4.35Å; V864-L935 HydrophobicContact CG1-CD1 4.41Å; V864-L935 HydrophobicContact CG1-CD2 3.92Å; V864-L935 HydrophobicContact CG2-CD2 4.18Å |
| 865 | S | 93.3 | Very high | 91.6 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 11% | 0.112 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 176.9 | -77.1 | 0 | 0 | 0 | 0 | 112.3 | A861 D862 Q869 T875 | A861-S865 WeakPolarHBondContact O-CB 3.46Å; A861-S865 PolarHBondContact O-N 3.03Å; A861-S865 PolarHBondContact O-OG 3.16Å; D862-S865 PolarHBondContact O-N 3.26Å; S865-Q869 WeakPolarHBondContact O-CB 3.22Å; S865-Q869 PolarHBondContact O-N 3.02Å; S865-T875 WeakPolarHBondContact CB-OG1 2.94Å; S865-T875 PolarHBondContact OG-OG1 3.47Å |
| 866 | S | 91.5 | Very high | 91.8 | Very high | 64 Ų | 64 | 49 Ų | 49 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.3 | -45.1 | 178.7 | -177.7 | 0 | 0 | 0 | 0 | 112.8 | D862 T863 V864 L868 Q869 N870 | D862-S866 WeakPolarHBondContact O-CB 3.09Å; D862-S866 PolarHBondContact O-N 3.11Å; T863-S866 PolarHBondContact O-N 3.45Å; V864-S866 VanDerWaalsContact C-N 3.3Å; V864-S866 PolarHBondContact O-N 2.91Å; S866-L868 VanDerWaalsContact C-N 3.35Å; S866-L868 PolarHBondContact O-N 3.44Å; S866-Q869 PolarHBondContact O-N 3.49Å; S866-N870 PolarHBondContact O-N 2.85Å; S866-N870 VanDerWaalsContact O-N 3.12Å; S866-N870 PolarHBondContact O-OD1 2.77Å |
| 867 | K | 92.4 | Very high | 92.1 | Very high | 51 Ų | 51 | 42.2 Ų | 42.2 | 22% | 0.222 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 177.2 | -79.5 | -166.8 | 172.1 | -167.9 | 0 | 112.3 | L859 T863 V864 N870 N871 I934 N937 | L859-K867 HydrophobicContact CD1-CD 3.89Å; T863-K867 PolarHBondContact O-N 3.07Å; V864-K867 PolarHBondContact O-N 3.01Å; K867-N870 PolarHBondContact O-N 3.24Å; K867-N871 PolarHBondContact O-ND2 3.41Å; K867-I934 HydrophobicContact CB-CG2 4.2Å; K867-N937 PolarHBondContact NZ-O 3.15Å; K867-N937 PolarHBondContact NZ-OXT 3.18Å |
| 868 | L | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.7 | -39.8 | 178.6 | -74.7 | 171.8 | 0 | 0 | 0 | 111.6 | V864 S866 N870 N871 N872 V873 L903 Y931 I934 L935 | V864-L868 HydrophobicContact CG1-CD1 3.69Å; V864-L868 WeakPolarHBondContact O-CB 3.5Å; V864-L868 WeakPolarHBondContact O-CG 3.2Å; V864-L868 PolarHBondContact O-N 3.42Å; S866-L868 VanDerWaalsContact C-N 3.35Å; S866-L868 PolarHBondContact O-N 3.44Å; L868-N870 VanDerWaalsContact C-N 3.31Å; L868-N870 PolarHBondContact O-N 2.97Å; L868-N871 CarbonylContact O-C 3.57Å; L868-N871 WeakPolarHBondContact O-CA 3.23Å; L868-N871 PolarHBondContact O-N 2.94Å; L868-N872 PolarHBondContact O-N 2.86Å; L868-V873 CarbonylContact C-O 3.34Å; L868-V873 VanDerWaalsContact C-O 3.27Å; L868-V873 HydrophobicContact CB-CB 3.92Å; L868-V873 HydrophobicContact CB-CG1 4.07Å; L868-V873 HydrophobicContact CD2-CB 4.36Å; L868-V873 HydrophobicContact CD2-CG1 4.35Å; L868-V873 HydrophobicContact CD2-CG2 4.48Å; L868-V873 WeakPolarHBondContact O-CB 3.3Å; L868-V873 PolarHBondContact O-N 3.29Å; L868-L903 HydrophobicContact CD1-CD2 4.32Å; L868-Y931 HydrophobicContact CD1-CD1 4.15Å; L868-Y931 HydrophobicContact CD1-CE1 3.75Å; L868-Y931 HydrophobicContact CD2-CD1 3.99Å; L868-Y931 HydrophobicContact CD2-CE1 3.99Å; L868-Y931 HydrophobicContact CD2-CG 4.32Å; L868-I934 HydrophobicContact CD2-CB 4.48Å; L868-I934 HydrophobicContact CD2-CD1 4.36Å; L868-I934 HydrophobicContact CD2-CG2 4.03Å; L868-L935 HydrophobicContact CD1-CD2 4.32Å; L868-L935 HydrophobicContact CD2-CD2 4.45Å; L868-L935 HydrophobicContact CG-CD2 4.12Å |
| 869 | Q | 93.1 | Very high | 92.6 | Very high | 107 Ų | 107 | 45 Ų | 45 | 50% | 0.5 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.6 | -34.7 | 177.1 | -174.7 | 172.9 | -8.1 | 0 | 0 | 112.8 | S865 S866 N871 N872 V873 Y874 | S865-Q869 WeakPolarHBondContact O-CB 3.22Å; S865-Q869 PolarHBondContact O-N 3.02Å; S866-Q869 PolarHBondContact O-N 3.49Å; Q869-N871 PolarHBondContact O-N 3.33Å; Q869-N871 VanDerWaalsContact O-N 3.14Å; Q869-N872 PolarHBondContact O-N 3.5Å; Q869-N872 VanDerWaalsContact O-N 3.1Å; Q869-V873 VanDerWaalsContact CA-O 3.23Å; Q869-V873 WeakPolarHBondContact CA-O 3.49Å; Q869-V873 PolarHBondContact N-O 3.3Å; Q869-Y874 HydrophobicContact CG-CD1 4.3Å; Q869-Y874 HydrophobicContact CG-CE1 4.41Å |
| 870 | N | 90.5 | Very high | 92.6 | Very high | 66 Ų | 66 | 48.2 Ų | 48.2 | 35% | 0.353 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -13.2 | 173 | -66.8 | -13.9 | 0 | 0 | 0 | 113.4 | G706 S866 K867 L868 | G706-N870 WeakPolarHBondContact CA-O 3.49Å; S866-N870 PolarHBondContact O-N 2.85Å; S866-N870 VanDerWaalsContact O-N 3.12Å; S866-N870 PolarHBondContact O-OD1 2.77Å; K867-N870 PolarHBondContact O-N 3.24Å; L868-N870 VanDerWaalsContact C-N 3.31Å; L868-N870 PolarHBondContact O-N 2.97Å |
| 871 | N | 92.4 | Very high | 92.5 | Very high | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.059 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 23.1 | 176.3 | -71.4 | -87.7 | 0 | 0 | 0 | 112 | G706 Y707 F826 K867 L868 Q869 V873 I934 | G706-N871 WeakPolarHBondContact CA-OD1 3.4Å; Y707-N871 PolarHBondContact N-ND2 2.89Å; Y707-N871 PolarHBondContact N-OD1 3.23Å; F826-N871 VanDerWaalsContact CD2-O 3.25Å; F826-N871 WeakPolarHBondContact CD2-O 3.5Å; K867-N871 PolarHBondContact O-ND2 3.41Å; L868-N871 CarbonylContact O-C 3.57Å; L868-N871 WeakPolarHBondContact O-CA 3.23Å; L868-N871 PolarHBondContact O-N 2.94Å; Q869-N871 PolarHBondContact O-N 3.33Å; Q869-N871 VanDerWaalsContact O-N 3.14Å; N871-V873 VanDerWaalsContact C-N 3.29Å; N871-V873 PolarHBondContact O-N 2.75Å; N871-I934 HydrophobicContact CB-CD1 3.66Å |
| 872 | N | 94.3 | Very high | 92.3 | Very high | 20 Ų | 20 | 56 Ų | 56 | 11% | 0.107 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 28.6 | -179.3 | -57.5 | -28.1 | 0 | 0 | 0 | 114.9 | H731 F826 L868 Q869 Y874 | H731-N872 PolarHBondContact CE1-ND2 2.89Å; F826-N872 HydrophobicContact CB-CB 3.9Å; F826-N872 PolarHBondContact O-ND2 3.4Å; L868-N872 PolarHBondContact O-N 2.86Å; Q869-N872 PolarHBondContact O-N 3.5Å; Q869-N872 VanDerWaalsContact O-N 3.1Å; N872-Y874 HydrophobicContact CB-CE2 4.17Å; N872-Y874 WeakPolarHBondContact O-CD2 3.46Å; N872-Y874 WeakPolarHBondContact O-CE2 3.28Å; N872-Y874 PolarHBondContact OD1-OH 3.42Å |
| 873 | V | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -107.2 | 114.4 | 169.8 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | F826 L868 Q869 N871 Q889 L891 Y931 | F826-V873 HydrophobicContact CD2-CG2 3.68Å; F826-V873 HydrophobicContact CE2-CG2 3.57Å; L868-V873 CarbonylContact C-O 3.34Å; L868-V873 VanDerWaalsContact C-O 3.27Å; L868-V873 HydrophobicContact CB-CB 3.92Å; L868-V873 HydrophobicContact CB-CG1 4.07Å; L868-V873 HydrophobicContact CD2-CB 4.36Å; L868-V873 HydrophobicContact CD2-CG1 4.35Å; L868-V873 HydrophobicContact CD2-CG2 4.48Å; L868-V873 WeakPolarHBondContact O-CB 3.3Å; L868-V873 PolarHBondContact O-N 3.29Å; Q869-V873 VanDerWaalsContact CA-O 3.23Å; Q869-V873 WeakPolarHBondContact CA-O 3.49Å; Q869-V873 PolarHBondContact N-O 3.3Å; N871-V873 VanDerWaalsContact C-N 3.29Å; N871-V873 PolarHBondContact O-N 2.75Å; V873-Q889 HydrophobicContact CG1-CB 4.19Å; V873-L891 HydrophobicContact CG1-CD2 4.27Å; V873-L891 HydrophobicContact CG2-CB 4.16Å; V873-L891 HydrophobicContact CG2-CD2 3.71Å; V873-Y931 HydrophobicContact CG1-CE2 4.34Å; V873-Y931 WeakPolarHBondContact CG1-OH 3.38Å | ||
| 874 | Y | 96.9 | Very high | 91.9 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 12% | 0.118 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 126.6 | -166.6 | -58.3 | -83 | 0 | 0 | 0 | 111.9 | E828 K831 Q869 N872 I876 Q889 S890 | E828-Y874 WeakPolarHBondContact CA-OH 3.33Å; E828-Y874 PolarHBondContact O-OH 3.3Å; K831-Y874 HydrophobicContact CB-CD1 4.1Å; K831-Y874 HydrophobicContact CB-CD2 3.82Å; K831-Y874 HydrophobicContact CB-CE2 4.38Å; K831-Y874 HydrophobicContact CB-CG 3.65Å; K831-Y874 HydrophobicContact CD-CD1 4.35Å; K831-Y874 HydrophobicContact CD-CG 4.48Å; K831-Y874 HydrophobicContact CG-CD1 4.45Å; K831-Y874 HydrophobicContact CG-CG 4.09Å; Q869-Y874 HydrophobicContact CG-CD1 4.3Å; Q869-Y874 HydrophobicContact CG-CE1 4.41Å; N872-Y874 HydrophobicContact CB-CE2 4.17Å; N872-Y874 WeakPolarHBondContact O-CD2 3.46Å; N872-Y874 WeakPolarHBondContact O-CE2 3.28Å; N872-Y874 PolarHBondContact OD1-OH 3.42Å; Y874-I876 PolarHBondContact O-N 3.15Å; Y874-Q889 CarbonylContact O-C 3.58Å; Y874-Q889 WeakPolarHBondContact O-CA 3.46Å; Y874-S890 PolarHBondContact N-O 3.37Å; Y874-S890 PolarHBondContact O-N 3.25Å |
| 875 | T | 96.5 | Very high | 91.9 | Very high | 36 Ų | 36 | 53.9 Ų | 53.9 | 22% | 0.221 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 118.1 | 172 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | S865 L887 Y888 Q889 | S865-T875 WeakPolarHBondContact CB-OG1 2.94Å; S865-T875 PolarHBondContact OG-OG1 3.47Å; T875-L887 HydrophobicContact CG2-CD2 4.07Å; T875-Y888 CarbonylContact C-O 3.56Å; T875-Q889 PolarHBondContact OG1-NE2 2.95Å; T875-Q889 VanDerWaalsContact OG1-NE2 3.13Å |
| 876 | I | 95.4 | Very high | 91.9 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 14% | 0.138 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -38 | -177.6 | -54 | -44.2 | 0 | 0 | 0 | 111.4 | K831 M832 R834 F837 Y874 Y888 S890 | K831-I876 HydrophobicContact CG-CD1 3.94Å; M832-I876 WeakPolarHBondContact O-CD1 3.42Å; R834-I876 HydrophobicContact CB-CG2 3.97Å; R834-I876 HydrophobicContact CG-CG2 4.38Å; F837-I876 HydrophobicContact CB-CG2 4.18Å; F837-I876 HydrophobicContact CD2-CG1 4.15Å; F837-I876 HydrophobicContact CG-CG2 4.42Å; Y874-I876 PolarHBondContact O-N 3.15Å; I876-Y888 PolarHBondContact N-O 3Å; I876-S890 WeakPolarHBondContact CD1-OG 3.37Å |
| 877 | A | 93 | Very high | 92.2 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 10% | 0.099 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 144 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y888 | A877-Y888 HydrophobicContact CB-CD2 4.11Å; A877-Y888 PolarHBondContact N-O 3.3Å; A877-Y888 PolarHBondContact O-N 3.26Å |
| 878 | K | 91.9 | Very high | 92.4 | Very high | 90 Ų | 90 | 50 Ų | 50 | 39% | 0.391 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.2 | 166.8 | -179.4 | 176.2 | -177.3 | -175.7 | 0 | 108 | D862 M886 L887 | D862-K878 VanDerWaalsContact CG-NZ 3.29Å; D862-K878 IonicContact OD1-NZ 2.67Å; D862-K878 PolarHBondContact OD1-NZ 2.96Å; D862-K878 IonicContact OD2-NZ 2.69Å; D862-K878 PolarHBondContact OD2-NZ 3.25Å; K878-M886 CarbonylContact C-O 3.5Å; K878-M886 WeakPolarHBondContact CA-O 3.43Å; K878-L887 HydrophobicContact CB-CD2 3.92Å; K878-L887 HydrophobicContact CD-CD2 4.07Å; K878-L887 HydrophobicContact CG-CD2 3.73Å |
| 879 | R | 92 | Very high | 92.5 | Very high | 131 Ų | 131 | 50 Ų | 50 | 49% | 0.494 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 142.7 | 172.8 | -75 | -173.8 | 166.3 | 174.8 | -1.7 | 109 | V881 M886 Y888 | R879-V881 HydrophobicContact CB-CG2 4.21Å; R879-M886 HydrophobicContact CB-CB 4.4Å; R879-M886 PolarHBondContact N-O 2.85Å; R879-M886 WeakPolarHBondContact O-CB 3.36Å; R879-M886 PolarHBondContact O-N 3Å; R879-Y888 HydrophobicContact CG-CE2 4.47Å |
| 880 | N | 89.3 | Confident | 92.8 | Very high | 102 Ų | 102 | 45 Ų | 45 | 55% | 0.545 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 119.6 | 165.6 | -168.1 | -85.5 | 0 | 0 | 0 | 107.7 | G883 Q884 D885 | N880-G883 WeakPolarHBondContact OD1-CA 3.37Å; N880-G883 PolarHBondContact OD1-N 3.16Å; N880-Q884 CarbonylContact C-O 3.46Å; N880-Q884 WeakPolarHBondContact CA-O 3.37Å; N880-D885 PolarHBondContact ND2-OD1 3.05Å |
| 881 | V | 86.3 | Confident | 93.1 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 41% | 0.406 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 116.5 | -179.7 | -176.8 | 0 | 0 | 0 | 0 | 107 | R879 G883 Q884 M886 | R879-V881 HydrophobicContact CB-CG2 4.21Å; V881-G883 PolarHBondContact O-N 3.37Å; V881-G883 VanDerWaalsContact O-N 3.15Å; V881-Q884 PolarHBondContact N-O 3.22Å; V881-Q884 WeakPolarHBondContact O-CB 3.33Å; V881-Q884 PolarHBondContact O-N 2.91Å; V881-M886 HydrophobicContact CB-CG 4.17Å; V881-M886 HydrophobicContact CG2-CG 3.97Å |
| 882 | E | 85.1 | Confident | 93.3 | Very high | 190 Ų | 190 | 43.2 Ų | 43.2 | 89% | 0.888 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 35.5 | 179.1 | -59.1 | 179.9 | 172.4 | 0 | 0 | 113.9 | Q884 | E882-Q884 VanDerWaalsContact C-N 3.27Å; E882-Q884 PolarHBondContact O-N 3.49Å |
| 883 | G | 83.3 | Confident | 93.3 | Very high | 41 Ų | 41 | 42.3 Ų | 42.3 | 42% | 0.423 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | -0.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | N880 V881 P907 | N880-G883 WeakPolarHBondContact OD1-CA 3.37Å; N880-G883 PolarHBondContact OD1-N 3.16Å; V881-G883 PolarHBondContact O-N 3.37Å; V881-G883 VanDerWaalsContact O-N 3.15Å; G883-P907 WeakPolarHBondContact O-CD 3.44Å; G883-P907 WeakPolarHBondContact O-CG 3.5Å |
| 884 | Q | 88.7 | Confident | 93.2 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 19% | 0.187 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.4 | 173.9 | -57.3 | -179 | -12.2 | 0 | 0 | 110.4 | N880 V881 E882 R904 Q906 | N880-Q884 CarbonylContact C-O 3.46Å; N880-Q884 WeakPolarHBondContact CA-O 3.37Å; V881-Q884 PolarHBondContact N-O 3.22Å; V881-Q884 WeakPolarHBondContact O-CB 3.33Å; V881-Q884 PolarHBondContact O-N 2.91Å; E882-Q884 VanDerWaalsContact C-N 3.27Å; E882-Q884 PolarHBondContact O-N 3.49Å; Q884-R904 HydrophobicContact CB-CG 4.43Å; Q884-Q906 HydrophobicContact CG-CB 4.11Å; Q884-Q906 HydrophobicContact CG-CG 4.18Å |
| 885 | D | 92.1 | Very high | 92.9 | Very high | 30 Ų | 30 | 46.5 Ų | 46.5 | 16% | 0.16 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 118.6 | 172.9 | -76.7 | -25.4 | 0 | 0 | 0 | 109.9 | A861 N880 I905 | A861-D885 HydrophobicContact CB-CB 3.82Å; A861-D885 WeakPolarHBondContact CB-OD2 3.32Å; N880-D885 PolarHBondContact ND2-OD1 3.05Å; D885-I905 HydrophobicContact CB-CB 4.34Å; D885-I905 PolarHBondContact N-O 3.34Å; D885-I905 PolarHBondContact O-N 3.02Å |
| 886 | M | 94.8 | Very high | 92.7 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 4% | 0.044 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 116.5 | 178.7 | -57.9 | -64 | -72.3 | 0 | 0 | 109.2 | K878 R879 V881 Y888 E902 R904 | K878-M886 CarbonylContact C-O 3.5Å; K878-M886 WeakPolarHBondContact CA-O 3.43Å; R879-M886 HydrophobicContact CB-CB 4.4Å; R879-M886 PolarHBondContact N-O 2.85Å; R879-M886 WeakPolarHBondContact O-CB 3.36Å; R879-M886 PolarHBondContact O-N 3Å; V881-M886 HydrophobicContact CB-CG 4.17Å; V881-M886 HydrophobicContact CG2-CG 3.97Å; M886-Y888 HydrophobicContact CB-CE2 4.1Å; M886-E902 HydrophobicContact CE-CG 3.64Å; M886-E902 WeakPolarHBondContact CE-OE1 3.34Å; M886-R904 HydrophobicContact CE-CB 4.25Å; M886-R904 HydrophobicContact SD-CB 3.66Å; M886-R904 HydrophobicContact SD-CG 3.57Å; M886-R904 VanDerWaalsContact SD-CG 3.57Å |
| 887 | L | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.3 | 176.5 | -60.2 | 177.8 | 0 | 0 | 0 | 109.7 | A861 V864 T875 K878 Q889 E902 L903 I905 | A861-L887 HydrophobicContact CB-CD1 4.24Å; A861-L887 HydrophobicContact CB-CD2 4.28Å; A861-L887 HydrophobicContact CB-CG 4.47Å; V864-L887 HydrophobicContact CB-CD1 4.25Å; V864-L887 HydrophobicContact CG1-CD1 3.8Å; T875-L887 HydrophobicContact CG2-CD2 4.07Å; K878-L887 HydrophobicContact CB-CD2 3.92Å; K878-L887 HydrophobicContact CD-CD2 4.07Å; K878-L887 HydrophobicContact CG-CD2 3.73Å; L887-Q889 HydrophobicContact CB-CG 4.21Å; L887-E902 WeakPolarHBondContact O-CA 3.31Å; L887-L903 HydrophobicContact CB-CB 4.28Å; L887-L903 HydrophobicContact CD1-CD2 4.41Å; L887-L903 PolarHBondContact N-O 3.3Å; L887-L903 PolarHBondContact O-N 3.07Å; L887-I905 HydrophobicContact CD1-CD1 3.77Å |
| 888 | Y | 97.2 | Very high | 92.8 | Very high | 41 Ų | 41 | 50.4 Ų | 50.4 | 16% | 0.161 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 120.6 | 173.3 | -64 | -81.6 | 0 | 0 | 0 | 108.7 | F837 T875 I876 A877 R879 M886 A901 E902 | F837-Y888 AromaticContact CE1-CD1 3.76Å; F837-Y888 HydrophobicContact CE1-CD1 3.76Å; F837-Y888 HydrophobicContact CE1-CG 4.21Å; F837-Y888 HydrophobicContact CZ-CD1 4.14Å; T875-Y888 CarbonylContact C-O 3.56Å; I876-Y888 PolarHBondContact N-O 3Å; A877-Y888 HydrophobicContact CB-CD2 4.11Å; A877-Y888 PolarHBondContact N-O 3.3Å; A877-Y888 PolarHBondContact O-N 3.26Å; R879-Y888 HydrophobicContact CG-CE2 4.47Å; M886-Y888 HydrophobicContact CB-CE2 4.1Å; Y888-A901 WeakPolarHBondContact CA-O 3.46Å; Y888-E902 HydrophobicContact CD1-CB 4.39Å; Y888-E902 HydrophobicContact CD1-CG 4.25Å; Y888-E902 HydrophobicContact CE1-CB 4.3Å; Y888-E902 HydrophobicContact CE1-CG 3.81Å; Y888-E902 WeakPolarHBondContact CE1-OE2 3.31Å; Y888-E902 PolarHBondContact OH-OE2 3.35Å |
| 889 | Q | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 147.6 | -168.8 | -50.9 | 179.4 | -51.9 | 0 | 0 | 111.7 | F837 V873 Y874 T875 L887 A901 Y931 | F837-Q889 VanDerWaalsContact CE2-O 3.28Å; F837-Q889 WeakPolarHBondContact CE2-O 3.35Å; V873-Q889 HydrophobicContact CG1-CB 4.19Å; Y874-Q889 CarbonylContact O-C 3.58Å; Y874-Q889 WeakPolarHBondContact O-CA 3.46Å; T875-Q889 PolarHBondContact OG1-NE2 2.95Å; T875-Q889 VanDerWaalsContact OG1-NE2 3.13Å; L887-Q889 HydrophobicContact CB-CG 4.21Å; Q889-A901 HydrophobicContact CB-CB 4.26Å; Q889-A901 PolarHBondContact N-O 3.14Å; Q889-A901 PolarHBondContact O-N 3Å; Q889-Y931 VanDerWaalsContact OE1-CE1 3.27Å; Q889-Y931 PolarHBondContact OE1-OH 3.13Å |
| 890 | S | 98 | Very high | 93.3 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.3 | 174.6 | 70.4 | 0 | 0 | 0 | 0 | 110.8 | G830 M832 Y874 I876 | G830-S890 CarbonylContact O-C 3.56Å; G830-S890 PolarHBondContact O-OG 3.42Å; M832-S890 PolarHBondContact N-OG 3.19Å; Y874-S890 PolarHBondContact N-O 3.37Å; Y874-S890 PolarHBondContact O-N 3.25Å; I876-S890 WeakPolarHBondContact CD1-OG 3.37Å |
| 891 | L | 97.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 163.4 | 167.7 | 66.6 | 90.7 | 0 | 0 | 0 | 109.4 | F826 V873 L893 I899 I927 Y931 | F826-L891 HydrophobicContact CD1-CD1 4.18Å; F826-L891 HydrophobicContact CD2-CD2 4.42Å; F826-L891 HydrophobicContact CE1-CD1 4Å; F826-L891 HydrophobicContact CE2-CD1 4.44Å; F826-L891 HydrophobicContact CE2-CD2 3.89Å; F826-L891 HydrophobicContact CG-CD1 4.48Å; F826-L891 HydrophobicContact CZ-CD1 4.15Å; F826-L891 HydrophobicContact CZ-CD2 4.03Å; V873-L891 HydrophobicContact CG1-CD2 4.27Å; V873-L891 HydrophobicContact CG2-CB 4.16Å; V873-L891 HydrophobicContact CG2-CD2 3.71Å; L891-L893 HydrophobicContact CD1-CD2 4.25Å; L891-I899 HydrophobicContact CD1-CB 3.79Å; L891-I899 HydrophobicContact CD1-CD1 3.57Å; L891-I899 HydrophobicContact CD1-CG1 4.16Å; L891-I899 HydrophobicContact CG-CB 3.98Å; L891-I899 PolarHBondContact N-O 3.29Å; L891-I899 PolarHBondContact O-N 3.4Å; L891-I927 HydrophobicContact CD1-CD1 4.21Å; L891-I927 HydrophobicContact CD2-CG2 4.07Å; L891-Y931 HydrophobicContact CD2-CE2 4.01Å |
| 892 | K | 96.5 | Very high | 94.2 | Very high | 40 Ų | 40 | 33.3 Ų | 33.3 | 17% | 0.174 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 142 | -179.9 | -177.7 | -174.4 | 173.1 | -170.9 | 0 | 109.1 | F826 V827 D829 I897 W898 | F826-K892 WeakPolarHBondContact CA-O 3.5Å; V827-K892 HydrophobicContact CG2-CB 3.63Å; V827-K892 HydrophobicContact CG2-CD 3.7Å; V827-K892 HydrophobicContact CG2-CG 3.64Å; V827-K892 WeakPolarHBondContact CG2-O 3.36Å; V827-K892 PolarHBondContact N-O 2.79Å; D829-K892 IonicContact OD1-NZ 3.9Å; D829-K892 IonicContact OD2-NZ 3.53Å; D829-K892 PolarHBondContact OD2-NZ 3.4Å; K892-I897 WeakPolarHBondContact CA-O 3.34Å; K892-W898 HydrophobicContact CB-CD2 4.09Å; K892-W898 HydrophobicContact CB-CE3 3.97Å; K892-W898 HydrophobicContact CB-CH2 4.38Å; K892-W898 HydrophobicContact CB-CZ2 4.47Å; K892-W898 HydrophobicContact CB-CZ3 4.13Å; K892-W898 HydrophobicContact CD-CD2 4.34Å; K892-W898 HydrophobicContact CD-CH2 4.22Å; K892-W898 HydrophobicContact CD-CZ2 3.69Å; K892-W898 HydrophobicContact CG-CD2 4.18Å; K892-W898 HydrophobicContact CG-CZ2 4.4Å |
| 893 | L | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -92.5 | 162.3 | 174.7 | -59.7 | -175.2 | 0 | 0 | 0 | 111.5 | F762 L825 F826 L891 N895 G896 I897 I899 V923 I927 | F762-L893 HydrophobicContact CE1-CD1 3.89Å; L825-L893 CarbonylContact O-C 3.3Å; L825-L893 WeakPolarHBondContact O-CA 3.49Å; F826-L893 HydrophobicContact CD1-CD2 3.41Å; F826-L893 VanDerWaalsContact CD1-CD2 3.41Å; F826-L893 HydrophobicContact CE1-CD2 3.54Å; L891-L893 HydrophobicContact CD1-CD2 4.25Å; L893-N895 WeakPolarHBondContact CB-OD1 3.45Å; L893-N895 PolarHBondContact O-N 3.02Å; L893-N895 VanDerWaalsContact O-N 3.17Å; L893-G896 PolarHBondContact O-N 2.83Å; L893-I897 HydrophobicContact CD1-CB 4.44Å; L893-I897 PolarHBondContact N-O 2.87Å; L893-I899 HydrophobicContact CD1-CD1 3.92Å; L893-I899 HydrophobicContact CD2-CD1 4.32Å; L893-I899 HydrophobicContact CG-CD1 3.68Å; L893-V923 HydrophobicContact CD1-CG1 3.76Å; L893-I927 HydrophobicContact CD2-CD1 4.41Å |
| 894 | T | 93 | Very high | 95.3 | Very high | 41 Ų | 41 | 27 Ų | 27 | 25% | 0.252 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -30.1 | 177.3 | 50.3 | 0 | 0 | 0 | 0 | 114.5 | I736 T790 L825 V827 G896 | I736-T894 HydrophobicContact CD1-CG2 4.38Å; T790-T894 HydrophobicContact CG2-CG2 3.94Å; T790-T894 WeakPolarHBondContact OG1-CB 3.22Å; L825-T894 HydrophobicContact CB-CG2 4.45Å; L825-T894 PolarHBondContact O-N 3.12Å; L825-T894 VanDerWaalsContact O-N 3.08Å; V827-T894 HydrophobicContact CG1-CG2 3.85Å; T894-G896 PolarHBondContact O-N 3.2Å |
| 895 | N | 91.9 | Very high | 95.5 | Very high | 78 Ų | 78 | 25.4 Ų | 25.4 | 42% | 0.417 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 7.2 | 176.3 | 67.3 | -1.8 | 0 | 0 | 0 | 113.9 | L893 I897 | L893-N895 WeakPolarHBondContact CB-OD1 3.45Å; L893-N895 PolarHBondContact O-N 3.02Å; L893-N895 VanDerWaalsContact O-N 3.17Å; N895-I897 VanDerWaalsContact ND2-CD1 3.3Å; N895-I897 WeakPolarHBondContact ND2-CD1 3.5Å; N895-I897 WeakPolarHBondContact OD1-CB 3.37Å; N895-I897 VanDerWaalsContact OD1-CG1 3.27Å; N895-I897 WeakPolarHBondContact OD1-CG1 3.3Å; N895-I897 PolarHBondContact OD1-N 2.97Å |
| 896 | G | 92.2 | Very high | 95.3 | Very high | 35 Ų | 35 | 28 Ų | 28 | 36% | 0.361 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 85.2 | 0.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L893 T894 W898 | L893-G896 PolarHBondContact O-N 2.83Å; T894-G896 PolarHBondContact O-N 3.2Å; G896-W898 PolarHBondContact O-N 3.1Å |
| 897 | I | 94.1 | Very high | 94.7 | Very high | 43 Ų | 43 | 31.7 Ų | 31.7 | 22% | 0.221 | 16% | 0.162 | C | C | . | . | trans | -68.5 | 127.2 | 175.5 | -63.6 | 176.4 | 0 | 0 | 0 | 109.6 | K892 L893 N895 I899 C918 A920 | K892-I897 WeakPolarHBondContact CA-O 3.34Å; L893-I897 HydrophobicContact CD1-CB 4.44Å; L893-I897 PolarHBondContact N-O 2.87Å; N895-I897 VanDerWaalsContact ND2-CD1 3.3Å; N895-I897 WeakPolarHBondContact ND2-CD1 3.5Å; N895-I897 WeakPolarHBondContact OD1-CB 3.37Å; N895-I897 VanDerWaalsContact OD1-CG1 3.27Å; N895-I897 WeakPolarHBondContact OD1-CG1 3.3Å; N895-I897 PolarHBondContact OD1-N 2.97Å; I897-I899 HydrophobicContact CG2-CD1 3.94Å; I897-I899 HydrophobicContact CG2-CG1 4.48Å; I897-C918 VanDerWaalsContact CG2-SG 3.52Å; I897-A920 HydrophobicContact CD1-CB 4.19Å | ||
| 898 | W | 96 | Very high | 93.9 | Very high | 78 Ų | 78 | 35.9 Ų | 35.9 | 30% | 0.295 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 136.6 | 174 | -75.2 | 91.2 | 0 | 0 | 0 | 111.2 | D829 G830 M832 K892 G896 | D829-W898 WeakPolarHBondContact O-CH2 3.44Å; G830-W898 WeakPolarHBondContact O-CZ3 3.36Å; M832-W898 HydrophobicContact CB-CH2 4.48Å; M832-W898 HydrophobicContact CB-CZ3 4Å; M832-W898 HydrophobicContact CE-CB 4.34Å; M832-W898 HydrophobicContact CE-CD2 3.6Å; M832-W898 HydrophobicContact CE-CE3 3.35Å; M832-W898 HydrophobicContact CE-CG 4.06Å; M832-W898 HydrophobicContact CE-CH2 4.42Å; M832-W898 HydrophobicContact CE-CZ3 3.79Å; K892-W898 HydrophobicContact CB-CD2 4.09Å; K892-W898 HydrophobicContact CB-CE3 3.97Å; K892-W898 HydrophobicContact CB-CH2 4.38Å; K892-W898 HydrophobicContact CB-CZ2 4.47Å; K892-W898 HydrophobicContact CB-CZ3 4.13Å; K892-W898 HydrophobicContact CD-CD2 4.34Å; K892-W898 HydrophobicContact CD-CH2 4.22Å; K892-W898 HydrophobicContact CD-CZ2 3.69Å; K892-W898 HydrophobicContact CG-CD2 4.18Å; K892-W898 HydrophobicContact CG-CZ2 4.4Å; G896-W898 PolarHBondContact O-N 3.1Å |
| 899 | I | 97.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.7 | 174.3 | -59.5 | 92.1 | 0 | 0 | 0 | 108.7 | L891 L893 I897 L916 C918 V923 I927 | L891-I899 HydrophobicContact CD1-CB 3.79Å; L891-I899 HydrophobicContact CD1-CD1 3.57Å; L891-I899 HydrophobicContact CD1-CG1 4.16Å; L891-I899 HydrophobicContact CG-CB 3.98Å; L891-I899 PolarHBondContact N-O 3.29Å; L891-I899 PolarHBondContact O-N 3.4Å; L893-I899 HydrophobicContact CD1-CD1 3.92Å; L893-I899 HydrophobicContact CD2-CD1 4.32Å; L893-I899 HydrophobicContact CG-CD1 3.68Å; I897-I899 HydrophobicContact CG2-CD1 3.94Å; I897-I899 HydrophobicContact CG2-CG1 4.48Å; I899-L916 HydrophobicContact CG2-CD2 4.11Å; I899-C918 HydrophobicContact CG1-CB 4.23Å; I899-V923 HydrophobicContact CD1-CG1 4.47Å; I899-I927 HydrophobicContact CD1-CD1 4.49Å; I899-I927 HydrophobicContact CG1-CG1 4.32Å; I899-I927 HydrophobicContact CG2-CG1 4.42Å; I899-I927 HydrophobicContact CG2-CG2 4.28Å |
| 900 | L | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 136.3 | 178.3 | -64.5 | 78.7 | 0 | 0 | 0 | 108.7 | M832 F837 T840 W841 I844 L916 K917 | M832-L900 HydrophobicContact SD-CD2 4.49Å; F837-L900 HydrophobicContact CD2-CD2 3.74Å; F837-L900 HydrophobicContact CD2-CG 4.07Å; F837-L900 HydrophobicContact CE2-CB 3.73Å; F837-L900 HydrophobicContact CE2-CD2 3.7Å; F837-L900 HydrophobicContact CE2-CG 3.78Å; F837-L900 HydrophobicContact CG-CD2 4.24Å; F837-L900 HydrophobicContact CZ-CB 4.14Å; F837-L900 HydrophobicContact CZ-CD2 4.16Å; F837-L900 HydrophobicContact CZ-CG 4.5Å; T840-L900 HydrophobicContact CG2-CD1 3.86Å; T840-L900 HydrophobicContact CG2-CD2 4.08Å; W841-L900 HydrophobicContact CB-CD2 4.05Å; W841-L900 HydrophobicContact CE3-CB 3.64Å; W841-L900 HydrophobicContact CE3-CD2 4.01Å; W841-L900 HydrophobicContact CE3-CG 4.5Å; W841-L900 HydrophobicContact CZ3-CB 3.79Å; I844-L900 HydrophobicContact CD1-CD1 3.88Å; L900-L916 WeakPolarHBondContact O-CA 3.44Å; L900-K917 PolarHBondContact N-O 3.03Å; L900-K917 PolarHBondContact O-N 3.46Å |
| 901 | A | 97.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y888 Q889 L914 S915 L916 Y931 | Y888-A901 WeakPolarHBondContact CA-O 3.46Å; Q889-A901 HydrophobicContact CB-CB 4.26Å; Q889-A901 PolarHBondContact N-O 3.14Å; Q889-A901 PolarHBondContact O-N 3Å; A901-L914 HydrophobicContact CB-CD1 3.98Å; A901-S915 CarbonylContact C-O 3.56Å; A901-S915 VanDerWaalsContact CA-O 3.3Å; A901-S915 WeakPolarHBondContact CA-O 3.26Å; A901-L916 HydrophobicContact CB-CD2 3.61Å; A901-Y931 VanDerWaalsContact CB-OH 3.31Å; A901-Y931 WeakPolarHBondContact CB-OH 3.18Å |
| 902 | E | 96.5 | Very high | 92.4 | Very high | 29 Ų | 29 | 41.4 Ų | 41.4 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 113.2 | 162.4 | -177.7 | -175.7 | 95.1 | 0 | 0 | 107.7 | W841 M886 L887 Y888 R904 S915 | W841-E902 HydrophobicContact CH2-CB 3.76Å; W841-E902 HydrophobicContact CZ2-CB 4.29Å; W841-E902 HydrophobicContact CZ3-CB 4.44Å; M886-E902 HydrophobicContact CE-CG 3.64Å; M886-E902 WeakPolarHBondContact CE-OE1 3.34Å; L887-E902 WeakPolarHBondContact O-CA 3.31Å; Y888-E902 HydrophobicContact CD1-CB 4.39Å; Y888-E902 HydrophobicContact CD1-CG 4.25Å; Y888-E902 HydrophobicContact CE1-CB 4.3Å; Y888-E902 HydrophobicContact CE1-CG 3.81Å; Y888-E902 WeakPolarHBondContact CE1-OE2 3.31Å; Y888-E902 PolarHBondContact OH-OE2 3.35Å; E902-R904 IonicContact OE1-NH2 2.64Å; E902-S915 PolarHBondContact N-O 2.86Å; E902-S915 PolarHBondContact O-N 3.4Å |
| 903 | L | 96.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 118.5 | 177.9 | -179.5 | 65.8 | 0 | 0 | 0 | 109.8 | I854 V864 L868 L887 I905 T913 L914 L935 | I854-L903 HydrophobicContact CD1-CD1 4.35Å; V864-L903 HydrophobicContact CG1-CD2 3.5Å; L868-L903 HydrophobicContact CD1-CD2 4.32Å; L887-L903 HydrophobicContact CB-CB 4.28Å; L887-L903 HydrophobicContact CD1-CD2 4.41Å; L887-L903 PolarHBondContact N-O 3.3Å; L887-L903 PolarHBondContact O-N 3.07Å; L903-I905 HydrophobicContact CD2-CD1 4.37Å; L903-I905 HydrophobicContact CG-CG1 4.28Å; L903-T913 WeakPolarHBondContact CA-O 3.48Å; L903-L914 HydrophobicContact CB-CD1 4.21Å; L903-L914 HydrophobicContact CD1-CB 4.05Å; L903-L914 HydrophobicContact CD1-CD1 4.17Å; L903-L935 HydrophobicContact CD2-CD1 4.26Å |
| 904 | R | 95.1 | Very high | 92.5 | Very high | 99 Ų | 99 | 41.4 Ų | 41.4 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122 | -179.5 | 176.6 | -175.2 | -60.2 | -159.3 | 12.3 | 110.3 | Q884 M886 E902 Y912 T913 | Q884-R904 HydrophobicContact CB-CG 4.43Å; M886-R904 HydrophobicContact CE-CB 4.25Å; M886-R904 HydrophobicContact SD-CB 3.66Å; M886-R904 HydrophobicContact SD-CG 3.57Å; M886-R904 VanDerWaalsContact SD-CG 3.57Å; E902-R904 IonicContact OE1-NH2 2.64Å; R904-Y912 WeakPolarHBondContact O-CA 3.43Å; R904-T913 PolarHBondContact N-O 3.05Å; R904-T913 PolarHBondContact O-N 3.49Å; R904-T913 VanDerWaalsContact O-N 3.1Å |
| 905 | I | 92.7 | Very high | 92.7 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 115.2 | -179.3 | -58.3 | 171.5 | 0 | 0 | 0 | 107.9 | A861 V864 D885 L887 L903 Y912 | A861-I905 HydrophobicContact CB-CD1 4.1Å; V864-I905 HydrophobicContact CB-CD1 4.06Å; V864-I905 HydrophobicContact CG1-CD1 4.09Å; V864-I905 HydrophobicContact CG2-CD1 3.84Å; D885-I905 HydrophobicContact CB-CB 4.34Å; D885-I905 PolarHBondContact N-O 3.34Å; D885-I905 PolarHBondContact O-N 3.02Å; L887-I905 HydrophobicContact CD1-CD1 3.77Å; L903-I905 HydrophobicContact CD2-CD1 4.37Å; L903-I905 HydrophobicContact CG-CG1 4.28Å; I905-Y912 HydrophobicContact CB-CD1 4.44Å; I905-Y912 HydrophobicContact CD1-CD2 4.41Å; I905-Y912 HydrophobicContact CD1-CE2 4.25Å; I905-Y912 HydrophobicContact CG1-CD1 4.26Å; I905-Y912 HydrophobicContact CG1-CD2 3.95Å; I905-Y912 HydrophobicContact CG1-CE1 4.5Å; I905-Y912 HydrophobicContact CG1-CE2 4.1Å; I905-Y912 HydrophobicContact CG1-CG 4.03Å; I905-Y912 HydrophobicContact CG2-CD1 4.15Å; I905-Y912 HydrophobicContact CG2-CE1 3.77Å; I905-Y912 HydrophobicContact CG2-CE2 4.42Å |
| 906 | Q | 88.2 | Confident | 92.9 | Very high | 84 Ų | 84 | 35.9 Ų | 35.9 | 39% | 0.393 | 21% | 0.212 | S | C | . | . | trans | -96.9 | 119.9 | 174.4 | 179.3 | 177.1 | 26.4 | 0 | 0 | 109.2 | Q884 G908 N909 | Q884-Q906 HydrophobicContact CG-CB 4.11Å; Q884-Q906 HydrophobicContact CG-CG 4.18Å; Q906-G908 PolarHBondContact O-N 2.84Å; Q906-N909 HydrophobicContact CB-CB 3.94Å; Q906-N909 HydrophobicContact CG-CB 4.13Å; Q906-N909 PolarHBondContact O-N 3.12Å; Q906-N909 PolarHBondContact OE1-ND2 2.66Å | ||
| 907 | P | 80.7 | Confident | 93.1 | Very high | 87 Ų | 87 | 34.3 Ų | 34.3 | 57% | 0.565 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | 127.5 | 177.2 | -26.8 | 35 | 0 | 0 | 0 | 112 | G883 N909 | G883-P907 WeakPolarHBondContact O-CD 3.44Å; G883-P907 WeakPolarHBondContact O-CG 3.5Å; P907-N909 VanDerWaalsContact C-N 3.31Å; P907-N909 PolarHBondContact O-N 2.8Å |
| 908 | G | 80.6 | Confident | 93.2 | Very high | 88 Ų | 88 | 32.3 Ų | 32.3 | 91% | 0.907 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -13.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q906 | Q906-G908 PolarHBondContact O-N 2.84Š|
| 909 | N | 86.5 | Confident | 93.1 | Very high | 55 Ų | 55 | 37 Ų | 37 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | trans | -97.4 | 119.4 | 173.7 | -174.2 | -8.9 | 0 | 0 | 0 | 109.7 | Q906 P907 N911 | Q906-N909 HydrophobicContact CB-CB 3.94Å; Q906-N909 HydrophobicContact CG-CB 4.13Å; Q906-N909 PolarHBondContact O-N 3.12Å; Q906-N909 PolarHBondContact OE1-ND2 2.66Å; P907-N909 VanDerWaalsContact C-N 3.31Å; P907-N909 PolarHBondContact O-N 2.8Å; N909-N911 PolarHBondContact O-N 3.31Å; N909-N911 WeakPolarHBondContact OD1-CB 3.41Å; N909-N911 PolarHBondContact OD1-N 2.82Å | ||
| 910 | P | 87.5 | Confident | 92.8 | Very high | 36 Ų | 36 | 38.5 Ų | 38.5 | 23% | 0.234 | 21% | 0.214 | C | C | . | . | trans | -75.9 | -3.3 | -179.7 | 31.3 | -35.7 | 0 | 0 | 0 | 114.4 | E856 C857 | E856-P910 PolarHBondContact N-O 3.37Å; C857-P910 PolarHBondContact N-O 3.25Å; C857-P910 CarbonylContact O-C 3.56Å; C857-P910 WeakPolarHBondContact O-CA 3.04Å | ||
| 911 | N | 91.2 | Very high | 92.5 | Very high | 60 Ų | 60 | 40.4 Ų | 40.4 | 32% | 0.321 | 23% | 0.227 | S | C | . | . | trans | -103 | 114.4 | -178.4 | -60.3 | -39.3 | 0 | 0 | 0 | 110.2 | I854 K855 N909 | I854-N911 CarbonylContact O-C 3.6Å; I854-N911 WeakPolarHBondContact O-CA 3.36Å; K855-N911 WeakPolarHBondContact CA-OD1 3.44Å; N909-N911 PolarHBondContact O-N 3.31Å; N909-N911 WeakPolarHBondContact OD1-CB 3.41Å; N909-N911 PolarHBondContact OD1-N 2.82Å | ||
| 912 | Y | 93.8 | Very high | 92.1 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 146.4 | 179.1 | -55 | -12.4 | 0 | 0 | 0 | 110.1 | Q853 I854 C857 L859 V864 R904 I905 L935 | Q853-Y912 WeakPolarHBondContact CA-O 3.4Å; I854-Y912 PolarHBondContact N-O 3.02Å; I854-Y912 PolarHBondContact O-N 3.27Å; C857-Y912 HydrophobicContact CB-CD2 3.97Å; C857-Y912 HydrophobicContact CB-CE1 4.3Å; C857-Y912 HydrophobicContact CB-CE2 3.59Å; C857-Y912 WeakPolarHBondContact O-CE1 3.27Å; C857-Y912 PolarHBondContact O-OH 3.17Å; C857-Y912 VanDerWaalsContact O-OH 3.06Å; C857-Y912 WeakPolarHBondContact SG-CE2 3.26Å; L859-Y912 PolarHBondContact N-OH 3.38Å; L859-Y912 PolarHBondContact O-OH 2.87Å; V864-Y912 HydrophobicContact CG2-CE2 4.02Å; R904-Y912 WeakPolarHBondContact O-CA 3.43Å; I905-Y912 HydrophobicContact CB-CD1 4.44Å; I905-Y912 HydrophobicContact CD1-CD2 4.41Å; I905-Y912 HydrophobicContact CD1-CE2 4.25Å; I905-Y912 HydrophobicContact CG1-CD1 4.26Å; I905-Y912 HydrophobicContact CG1-CD2 3.95Å; I905-Y912 HydrophobicContact CG1-CE1 4.5Å; I905-Y912 HydrophobicContact CG1-CE2 4.1Å; I905-Y912 HydrophobicContact CG1-CG 4.03Å; I905-Y912 HydrophobicContact CG2-CD1 4.15Å; I905-Y912 HydrophobicContact CG2-CE1 3.77Å; I905-Y912 HydrophobicContact CG2-CE2 4.42Å; Y912-L935 HydrophobicContact CD2-CD1 4.38Å |
| 913 | T | 95.4 | Very high | 92 | Very high | 40 Ų | 40 | 44.1 Ų | 44.1 | 25% | 0.245 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.9 | 175.2 | -51.1 | 0 | 0 | 0 | 0 | 109.1 | L903 R904 | L903-T913 WeakPolarHBondContact CA-O 3.48Å; R904-T913 PolarHBondContact N-O 3.05Å; R904-T913 PolarHBondContact O-N 3.49Å; R904-T913 VanDerWaalsContact O-N 3.1Å |
| 914 | L | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 115.4 | 178.7 | 176.1 | 67.7 | 0 | 0 | 0 | 109.3 | Q851 F852 I854 A901 L903 L916 Y928 Y931 | Q851-L914 CarbonylContact C-O 3.35Å; Q851-L914 WeakPolarHBondContact CA-O 3.48Å; F852-L914 PolarHBondContact N-O 3.04Å; F852-L914 PolarHBondContact O-N 3.46Å; I854-L914 HydrophobicContact CD1-CB 4.3Å; I854-L914 HydrophobicContact CD1-CD2 4.26Å; A901-L914 HydrophobicContact CB-CD1 3.98Å; L903-L914 HydrophobicContact CB-CD1 4.21Å; L903-L914 HydrophobicContact CD1-CB 4.05Å; L903-L914 HydrophobicContact CD1-CD1 4.17Å; L914-L916 HydrophobicContact CD1-CD2 4.01Å; L914-L916 HydrophobicContact CD1-CG 4.42Å; L914-L916 HydrophobicContact CD2-CD1 4.05Å; L914-L916 HydrophobicContact CD2-CD2 4.17Å; L914-L916 HydrophobicContact CD2-CG 4.07Å; L914-L916 HydrophobicContact CG-CD1 4.49Å; L914-L916 HydrophobicContact CG-CD2 4.11Å; L914-L916 HydrophobicContact CG-CG 3.99Å; L914-Y928 HydrophobicContact CD2-CD2 4.42Å; L914-Y931 HydrophobicContact CD1-CD1 3.86Å; L914-Y931 HydrophobicContact CD1-CE1 3.73Å; L914-Y931 HydrophobicContact CD1-CG 4.48Å; L914-Y931 HydrophobicContact CD2-CD1 3.86Å; L914-Y931 HydrophobicContact CD2-CD2 4.24Å; L914-Y931 HydrophobicContact CD2-CE1 4.44Å; L914-Y931 HydrophobicContact CD2-CG 3.72Å |
| 915 | S | 97.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.8 | 170 | -55.1 | 0 | 0 | 0 | 0 | 109.6 | E849 Q851 A901 E902 | E849-S915 WeakPolarHBondContact OE1-CB 3.19Å; Q851-S915 WeakPolarHBondContact CG-OG 3.26Å; A901-S915 CarbonylContact C-O 3.56Å; A901-S915 VanDerWaalsContact CA-O 3.3Å; A901-S915 WeakPolarHBondContact CA-O 3.26Å; E902-S915 PolarHBondContact N-O 2.86Å; E902-S915 PolarHBondContact O-N 3.4Å |
| 916 | L | 97.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.2 | 179.2 | -66.2 | 174.6 | 0 | 0 | 0 | 110.3 | E849 L850 F852 I899 L900 A901 L914 S924 I927 | E849-L916 CarbonylContact C-O 3.5Å; E849-L916 WeakPolarHBondContact CA-O 3.44Å; L850-L916 PolarHBondContact N-O 3.43Å; L850-L916 PolarHBondContact O-N 3.02Å; F852-L916 HydrophobicContact CD2-CD1 4.11Å; F852-L916 HydrophobicContact CE2-CD1 3.95Å; I899-L916 HydrophobicContact CG2-CD2 4.11Å; L900-L916 WeakPolarHBondContact O-CA 3.44Å; A901-L916 HydrophobicContact CB-CD2 3.61Å; L914-L916 HydrophobicContact CD1-CD2 4.01Å; L914-L916 HydrophobicContact CD1-CG 4.42Å; L914-L916 HydrophobicContact CD2-CD1 4.05Å; L914-L916 HydrophobicContact CD2-CD2 4.17Å; L914-L916 HydrophobicContact CD2-CG 4.07Å; L914-L916 HydrophobicContact CG-CD1 4.49Å; L914-L916 HydrophobicContact CG-CD2 4.11Å; L914-L916 HydrophobicContact CG-CG 3.99Å; L916-S924 WeakPolarHBondContact CD1-O 3.48Å; L916-I927 HydrophobicContact CD1-CB 3.93Å; L916-I927 HydrophobicContact CD1-CG2 3.91Å; L916-I927 HydrophobicContact CD2-CG2 4.04Å |
| 917 | K | 96.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128.6 | 169.4 | -79.4 | -163.4 | 173.5 | -161.8 | 0 | 110.4 | W841 I844 N846 E849 L900 | W841-K917 HydrophobicContact CD2-CD 3.94Å; W841-K917 HydrophobicContact CE3-CB 4.39Å; W841-K917 HydrophobicContact CE3-CD 4.28Å; W841-K917 HydrophobicContact CG-CD 4.36Å; W841-K917 HydrophobicContact CH2-CD 4.4Å; W841-K917 HydrophobicContact CH2-CG 4.15Å; W841-K917 HydrophobicContact CZ2-CD 4.07Å; W841-K917 HydrophobicContact CZ2-CG 4.22Å; W841-K917 HydrophobicContact CZ3-CB 4.22Å; W841-K917 HydrophobicContact CZ3-CD 4.5Å; W841-K917 HydrophobicContact CZ3-CG 4.3Å; W841-K917 PolarHBondContact O-NZ 2.91Å; I844-K917 HydrophobicContact CB-CD 4.3Å; I844-K917 HydrophobicContact CD1-CB 4.34Å; I844-K917 HydrophobicContact CG2-CB 4.2Å; I844-K917 HydrophobicContact CG2-CD 4.28Å; I844-K917 HydrophobicContact CG2-CG 4.5Å; I844-K917 PolarHBondContact O-NZ 3.39Å; N846-K917 PolarHBondContact OD1-NZ 3.16Å; E849-K917 HydrophobicContact CB-CD 4.4Å; E849-K917 HydrophobicContact CB-CG 3.76Å; E849-K917 HydrophobicContact CG-CG 3.79Å; E849-K917 WeakPolarHBondContact OE2-CE 3.41Å; E849-K917 IonicContact OE2-NZ 3.01Å; L900-K917 PolarHBondContact N-O 3.03Å; L900-K917 PolarHBondContact O-N 3.46Å |
| 918 | C | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 146.7 | 176.8 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | N848 I897 I899 A920 | N848-C918 WeakPolarHBondContact CB-O 3.49Å; I897-C918 VanDerWaalsContact CG2-SG 3.52Å; I899-C918 HydrophobicContact CG1-CB 4.23Å; C918-A920 PolarHBondContact O-N 3Å; C918-A920 PolarHBondContact SG-N 2.81Å; C918-A920 PolarHBondContact SG-O 3.21Å |
| 919 | R | 93.2 | Very high | 93.7 | Very high | 178 Ų | 178 | 39.6 Ų | 39.6 | 67% | 0.672 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -67.2 | -25 | 170.5 | -70.9 | -174.9 | 172.4 | -148.4 | 0.3 | 112.5 | D843 I844 P921 | D843-R919 IonicContact OD2-CZ 2.77Å; D843-R919 IonicContact OD2-NE 3.31Å; D843-R919 IonicContact OD2-NH2 2.86Å; D843-R919 PolarHBondContact OD2-NH2 3.35Å; I844-R919 HydrophobicContact CD1-CG 4.35Å; I844-R919 HydrophobicContact CG1-CG 4.01Å; R919-P921 VanDerWaalsContact O-CD 3.31Å; R919-P921 WeakPolarHBondContact O-CD 3.28Å |
| 920 | A | 91.8 | Very high | 94 | Very high | 31 Ų | 31 | 37.4 Ų | 37.4 | 26% | 0.256 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -108.1 | 85 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | I897 C918 E922 V923 | I897-A920 HydrophobicContact CD1-CB 4.19Å; C918-A920 PolarHBondContact O-N 3Å; C918-A920 PolarHBondContact SG-N 2.81Å; C918-A920 PolarHBondContact SG-O 3.21Å; A920-E922 PolarHBondContact O-N 3.03Å; A920-E922 VanDerWaalsContact O-N 3.15Å; A920-V923 HydrophobicContact CB-CG2 4.12Å; A920-V923 PolarHBondContact O-N 3.39Å |
| 921 | P | 90.7 | Very high | 94.4 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 27% | 0.266 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -61.1 | -27.6 | -170.4 | 23 | -33.7 | 0 | 0 | 0 | 113.2 | N848 R919 V923 S924 | N848-P921 HydrophobicContact CB-CB 4.38Å; R919-P921 VanDerWaalsContact O-CD 3.31Å; R919-P921 WeakPolarHBondContact O-CD 3.28Å; P921-V923 PolarHBondContact O-N 3.41Å; P921-V923 VanDerWaalsContact O-N 3.14Å; P921-S924 VanDerWaalsContact O-CB 3.22Å; P921-S924 WeakPolarHBondContact O-CB 3.35Å; P921-S924 PolarHBondContact O-N 3.29Å; P921-S924 PolarHBondContact O-OG 3.33Å |
| 922 | E | 90.3 | Very high | 94.6 | Very high | 102 Ų | 102 | 34.2 Ų | 34.2 | 48% | 0.477 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -54.8 | -30.6 | 178 | -49.5 | 176.9 | -174.8 | 0 | 0 | 113.5 | K796 L800 A920 S924 Y926 | K796-E922 WeakPolarHBondContact CE-OE2 3.45Å; K796-E922 IonicContact NZ-OE1 3.6Å; K796-E922 PolarHBondContact NZ-OE1 3.44Å; K796-E922 IonicContact NZ-OE2 3.64Å; K796-E922 PolarHBondContact NZ-OE2 3.15Å; L800-E922 HydrophobicContact CD1-CB 3.86Å; A920-E922 PolarHBondContact O-N 3.03Å; A920-E922 VanDerWaalsContact O-N 3.15Å; E922-S924 VanDerWaalsContact C-N 3.29Å; E922-S924 PolarHBondContact O-N 3.39Å; E922-Y926 WeakPolarHBondContact O-CD2 3.36Å; E922-Y926 WeakPolarHBondContact O-CE2 3.36Å |
| 923 | V | 93.7 | Very high | 94.4 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 4% | 0.036 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -72 | -26.8 | -179.8 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | L800 L822 L893 I899 A920 P921 Q925 Y926 I927 | L800-V923 HydrophobicContact CD1-CG2 4.18Å; L822-V923 HydrophobicContact CD1-CG1 4.22Å; L893-V923 HydrophobicContact CD1-CG1 3.76Å; I899-V923 HydrophobicContact CD1-CG1 4.47Å; A920-V923 HydrophobicContact CB-CG2 4.12Å; A920-V923 PolarHBondContact O-N 3.39Å; P921-V923 PolarHBondContact O-N 3.41Å; P921-V923 VanDerWaalsContact O-N 3.14Å; V923-Q925 VanDerWaalsContact C-N 3.33Å; V923-Q925 PolarHBondContact O-N 3.47Å; V923-Y926 PolarHBondContact O-N 3.12Å; V923-Y926 VanDerWaalsContact O-N 3.09Å; V923-I927 HydrophobicContact CG1-CD1 4.23Å; V923-I927 HydrophobicContact CG1-CG1 3.94Å; V923-I927 PolarHBondContact O-N 3.23Å; V923-I927 VanDerWaalsContact O-N 3.14Å |
| 924 | S | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.7 | -35.7 | -168.7 | -47.4 | 0 | 0 | 0 | 0 | 113.2 | L916 P921 E922 Y926 I927 Y928 | L916-S924 WeakPolarHBondContact CD1-O 3.48Å; P921-S924 VanDerWaalsContact O-CB 3.22Å; P921-S924 WeakPolarHBondContact O-CB 3.35Å; P921-S924 PolarHBondContact O-N 3.29Å; P921-S924 PolarHBondContact O-OG 3.33Å; E922-S924 VanDerWaalsContact C-N 3.29Å; E922-S924 PolarHBondContact O-N 3.39Å; S924-Y926 VanDerWaalsContact C-N 3.28Å; S924-Y926 PolarHBondContact O-N 2.92Å; S924-I927 PolarHBondContact O-N 3.32Å; S924-Y928 PolarHBondContact O-N 2.95Å |
| 925 | Q | 93.9 | Very high | 94 | Very high | 108 Ų | 108 | 34 Ų | 34 | 51% | 0.505 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60 | -39.7 | 176.9 | 178.9 | 174.8 | -13.2 | 0 | 0 | 111.9 | V923 Y928 Q929 | V923-Q925 VanDerWaalsContact C-N 3.33Å; V923-Q925 PolarHBondContact O-N 3.47Å; Q925-Y928 WeakPolarHBondContact O-CB 3.34Å; Q925-Y928 PolarHBondContact O-N 2.99Å; Q925-Q929 WeakPolarHBondContact O-CG 3.12Å; Q925-Q929 PolarHBondContact O-N 2.76Å |
| 926 | Y | 94.6 | Very high | 93.6 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -75.8 | -32.2 | 179.3 | -57.6 | -84.4 | 0 | 0 | 0 | 111.9 | P799 L800 N801 L822 E922 V923 S924 Q929 V930 | P799-Y926 VanDerWaalsContact CA-OH 3.24Å; P799-Y926 WeakPolarHBondContact CA-OH 3.11Å; P799-Y926 HydrophobicContact CB-CE1 3.82Å; P799-Y926 WeakPolarHBondContact CB-OH 3.34Å; L800-Y926 HydrophobicContact CB-CD2 4.21Å; L800-Y926 HydrophobicContact CB-CE2 3.71Å; L800-Y926 HydrophobicContact CD1-CD2 4.12Å; L800-Y926 HydrophobicContact CD1-CE2 3.77Å; L800-Y926 HydrophobicContact CG-CE2 3.95Å; L800-Y926 PolarHBondContact N-OH 3.06Å; N801-Y926 HydrophobicContact CB-CD1 4.38Å; N801-Y926 WeakPolarHBondContact OD1-CE1 3.38Å; L822-Y926 HydrophobicContact CD1-CG 4.22Å; E922-Y926 WeakPolarHBondContact O-CD2 3.36Å; E922-Y926 WeakPolarHBondContact O-CE2 3.36Å; V923-Y926 PolarHBondContact O-N 3.12Å; V923-Y926 VanDerWaalsContact O-N 3.09Å; S924-Y926 VanDerWaalsContact C-N 3.28Å; S924-Y926 PolarHBondContact O-N 2.92Å; Y926-Q929 PolarHBondContact O-N 3.17Å; Y926-V930 PolarHBondContact O-N 3.28Å; Y926-V930 VanDerWaalsContact O-N 3.16Å |
| 927 | I | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66 | -40.1 | 171.6 | -59.2 | -60.7 | 0 | 0 | 0 | 110.9 | L822 F826 L891 L893 I899 L916 V923 S924 Q929 V930 Y931 | L822-I927 HydrophobicContact CD1-CD1 3.99Å; F826-I927 HydrophobicContact CE1-CD1 3.59Å; F826-I927 HydrophobicContact CZ-CD1 3.66Å; L891-I927 HydrophobicContact CD1-CD1 4.21Å; L891-I927 HydrophobicContact CD2-CG2 4.07Å; L893-I927 HydrophobicContact CD2-CD1 4.41Å; I899-I927 HydrophobicContact CD1-CD1 4.49Å; I899-I927 HydrophobicContact CG1-CG1 4.32Å; I899-I927 HydrophobicContact CG2-CG1 4.42Å; I899-I927 HydrophobicContact CG2-CG2 4.28Å; L916-I927 HydrophobicContact CD1-CB 3.93Å; L916-I927 HydrophobicContact CD1-CG2 3.91Å; L916-I927 HydrophobicContact CD2-CG2 4.04Å; V923-I927 HydrophobicContact CG1-CD1 4.23Å; V923-I927 HydrophobicContact CG1-CG1 3.94Å; V923-I927 PolarHBondContact O-N 3.23Å; V923-I927 VanDerWaalsContact O-N 3.14Å; S924-I927 PolarHBondContact O-N 3.32Å; I927-Q929 VanDerWaalsContact C-N 3.34Å; I927-Q929 PolarHBondContact O-N 2.78Å; I927-V930 WeakPolarHBondContact O-CB 3.22Å; I927-V930 PolarHBondContact O-N 3.32Å; I927-V930 VanDerWaalsContact O-N 3.17Å; I927-Y931 HydrophobicContact CG2-CD2 3.85Å; I927-Y931 HydrophobicContact CG2-CE2 3.75Å; I927-Y931 WeakPolarHBondContact O-CD2 3.27Å; I927-Y931 PolarHBondContact O-N 3.14Å |
| 928 | Y | 96.1 | Very high | 92.4 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.9 | -46.1 | 172.7 | 155.7 | -108.6 | 0 | 0 | 0 | 111.9 | F852 Q853 I854 L914 S924 Q925 V930 Y931 D932 | F852-Y928 HydrophobicContact CB-CD1 4.48Å; F852-Y928 HydrophobicContact CB-CD2 3.32Å; F852-Y928 HydrophobicContact CB-CE2 3.72Å; F852-Y928 HydrophobicContact CB-CG 3.75Å; F852-Y928 AromaticContact CD1-CD1 3.74Å; F852-Y928 HydrophobicContact CD1-CD1 3.74Å; F852-Y928 HydrophobicContact CD1-CD2 4.12Å; F852-Y928 HydrophobicContact CD1-CE1 4.27Å; F852-Y928 AromaticContact CD1-CG 3.64Å; F852-Y928 HydrophobicContact CD1-CG 3.64Å; F852-Y928 HydrophobicContact CD2-CD2 4.43Å; F852-Y928 HydrophobicContact CD2-CG 4.13Å; F852-Y928 HydrophobicContact CE1-CD1 4.19Å; F852-Y928 HydrophobicContact CE1-CG 4.26Å; F852-Y928 HydrophobicContact CG-CD1 4.16Å; F852-Y928 AromaticContact CG-CD2 3.72Å; F852-Y928 HydrophobicContact CG-CD2 3.72Å; F852-Y928 HydrophobicContact CG-CE2 4.4Å; F852-Y928 AromaticContact CG-CG 3.57Å; F852-Y928 HydrophobicContact CG-CG 3.57Å; Q853-Y928 PolarHBondContact O-OH 3.31Å; I854-Y928 HydrophobicContact CG1-CD2 4.34Å; I854-Y928 HydrophobicContact CG1-CE2 4.04Å; L914-Y928 HydrophobicContact CD2-CD2 4.42Å; S924-Y928 PolarHBondContact O-N 2.95Å; Q925-Y928 WeakPolarHBondContact O-CB 3.34Å; Q925-Y928 PolarHBondContact O-N 2.99Å; Y928-V930 PolarHBondContact O-N 3.15Å; Y928-Y931 PolarHBondContact O-N 3.05Å; Y928-Y931 VanDerWaalsContact O-N 3.13Å; Y928-D932 HydrophobicContact CE2-CB 4.36Å; Y928-D932 PolarHBondContact O-N 3.37Å |
| 929 | Q | 93.8 | Very high | 92.3 | Very high | 84 Ų | 84 | 49.5 Ų | 49.5 | 39% | 0.393 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.4 | -36.7 | 177.2 | -69 | 172.4 | -5.8 | 0 | 0 | 112.5 | Q925 Y926 I927 S933 | Q925-Q929 WeakPolarHBondContact O-CG 3.12Å; Q925-Q929 PolarHBondContact O-N 2.76Å; Y926-Q929 PolarHBondContact O-N 3.17Å; I927-Q929 VanDerWaalsContact C-N 3.34Å; I927-Q929 PolarHBondContact O-N 2.78Å; Q929-S933 WeakPolarHBondContact O-CB 3.41Å; Q929-S933 PolarHBondContact O-N 2.91Å; Q929-S933 PolarHBondContact O-OG 3.41Å |
| 930 | V | 94.1 | Very high | 92.2 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -47.4 | 174.2 | 165.1 | 0 | 0 | 0 | 0 | 111.4 | L822 N823 F826 Y926 I927 Y928 D932 S933 I934 | L822-V930 HydrophobicContact CB-CG2 3.9Å; N823-V930 HydrophobicContact CB-CG1 3.69Å; N823-V930 HydrophobicContact CB-CG2 4.31Å; F826-V930 HydrophobicContact CE2-CG1 3.81Å; F826-V930 HydrophobicContact CZ-CB 4.36Å; F826-V930 HydrophobicContact CZ-CG1 3.77Å; F826-V930 HydrophobicContact CZ-CG2 4.44Å; Y926-V930 PolarHBondContact O-N 3.28Å; Y926-V930 VanDerWaalsContact O-N 3.16Å; I927-V930 WeakPolarHBondContact O-CB 3.22Å; I927-V930 PolarHBondContact O-N 3.32Å; I927-V930 VanDerWaalsContact O-N 3.17Å; Y928-V930 PolarHBondContact O-N 3.15Å; V930-D932 PolarHBondContact O-N 3.38Å; V930-S933 PolarHBondContact O-N 3.13Å; V930-I934 HydrophobicContact CG1-CD1 3.45Å; V930-I934 VanDerWaalsContact CG1-CD1 3.45Å; V930-I934 HydrophobicContact CG1-CG1 4.28Å; V930-I934 WeakPolarHBondContact O-CB 3.39Å; V930-I934 VanDerWaalsContact O-CG1 3.29Å; V930-I934 WeakPolarHBondContact O-CG1 3.23Å; V930-I934 PolarHBondContact O-N 2.73Å |
| 931 | Y | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 176.3 | -91.1 | -112.8 | 0 | 0 | 0 | 111.5 | I854 L868 V873 Q889 L891 A901 L914 I927 Y928 S933 I934 L935 | I854-Y931 HydrophobicContact CD1-CD1 4.46Å; L868-Y931 HydrophobicContact CD1-CD1 4.15Å; L868-Y931 HydrophobicContact CD1-CE1 3.75Å; L868-Y931 HydrophobicContact CD2-CD1 3.99Å; L868-Y931 HydrophobicContact CD2-CE1 3.99Å; L868-Y931 HydrophobicContact CD2-CG 4.32Å; V873-Y931 HydrophobicContact CG1-CE2 4.34Å; V873-Y931 WeakPolarHBondContact CG1-OH 3.38Å; Q889-Y931 VanDerWaalsContact OE1-CE1 3.27Å; Q889-Y931 PolarHBondContact OE1-OH 3.13Å; L891-Y931 HydrophobicContact CD2-CE2 4.01Å; A901-Y931 VanDerWaalsContact CB-OH 3.31Å; A901-Y931 WeakPolarHBondContact CB-OH 3.18Å; L914-Y931 HydrophobicContact CD1-CD1 3.86Å; L914-Y931 HydrophobicContact CD1-CE1 3.73Å; L914-Y931 HydrophobicContact CD1-CG 4.48Å; L914-Y931 HydrophobicContact CD2-CD1 3.86Å; L914-Y931 HydrophobicContact CD2-CD2 4.24Å; L914-Y931 HydrophobicContact CD2-CE1 4.44Å; L914-Y931 HydrophobicContact CD2-CG 3.72Å; I927-Y931 HydrophobicContact CG2-CD2 3.85Å; I927-Y931 HydrophobicContact CG2-CE2 3.75Å; I927-Y931 WeakPolarHBondContact O-CD2 3.27Å; I927-Y931 PolarHBondContact O-N 3.14Å; Y928-Y931 PolarHBondContact O-N 3.05Å; Y928-Y931 VanDerWaalsContact O-N 3.13Å; Y931-S933 VanDerWaalsContact C-N 3.32Å; Y931-S933 PolarHBondContact O-N 3.26Å; Y931-I934 PolarHBondContact O-N 3.28Å; Y931-L935 WeakPolarHBondContact O-CB 3.46Å; Y931-L935 VanDerWaalsContact O-CG 3.26Å; Y931-L935 WeakPolarHBondContact O-CG 3.31Å; Y931-L935 PolarHBondContact O-N 3.27Å |
| 932 | D | 94.4 | Very high | 92.3 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 16% | 0.155 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 177.8 | -168.6 | 68.1 | 0 | 0 | 0 | 111.3 | Y928 V930 K936 | Y928-D932 HydrophobicContact CE2-CB 4.36Å; Y928-D932 PolarHBondContact O-N 3.37Å; V930-D932 PolarHBondContact O-N 3.38Å; D932-K936 WeakPolarHBondContact O-CB 3.16Å; D932-K936 WeakPolarHBondContact O-CG 3.14Å; D932-K936 PolarHBondContact O-N 3.43Å; D932-K936 VanDerWaalsContact O-N 3.14Å; D932-K936 WeakPolarHBondContact OD1-CE 3.47Å; D932-K936 IonicContact OD1-NZ 2.68Å; D932-K936 PolarHBondContact OD1-NZ 2.62Å; D932-K936 IonicContact OD2-NZ 2.79Å; D932-K936 PolarHBondContact OD2-NZ 3.15Å |
| 933 | S | 91.4 | Very high | 92.5 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.1 | -43.4 | 179.4 | -58.3 | 0 | 0 | 0 | 0 | 113.1 | Q929 V930 Y931 N937 | Q929-S933 WeakPolarHBondContact O-CB 3.41Å; Q929-S933 PolarHBondContact O-N 2.91Å; Q929-S933 PolarHBondContact O-OG 3.41Å; V930-S933 PolarHBondContact O-N 3.13Å; Y931-S933 VanDerWaalsContact C-N 3.32Å; Y931-S933 PolarHBondContact O-N 3.26Å; S933-N937 PolarHBondContact O-N 2.76Å; S933-N937 PolarHBondContact O-ND2 2.8Å |
| 934 | I | 92.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.3 | -35.1 | -179.7 | -69.2 | 167 | 0 | 0 | 0 | 111.6 | Y707 N823 K867 L868 N871 V930 Y931 | Y707-I934 HydrophobicContact CD1-CG1 4.23Å; Y707-I934 HydrophobicContact CG-CG1 4.2Å; N823-I934 HydrophobicContact CB-CD1 4.39Å; K867-I934 HydrophobicContact CB-CG2 4.2Å; L868-I934 HydrophobicContact CD2-CB 4.48Å; L868-I934 HydrophobicContact CD2-CD1 4.36Å; L868-I934 HydrophobicContact CD2-CG2 4.03Å; N871-I934 HydrophobicContact CB-CD1 3.66Å; V930-I934 HydrophobicContact CG1-CD1 3.45Å; V930-I934 VanDerWaalsContact CG1-CD1 3.45Å; V930-I934 HydrophobicContact CG1-CG1 4.28Å; V930-I934 WeakPolarHBondContact O-CB 3.39Å; V930-I934 VanDerWaalsContact O-CG1 3.29Å; V930-I934 WeakPolarHBondContact O-CG1 3.23Å; V930-I934 PolarHBondContact O-N 2.73Å; Y931-I934 PolarHBondContact O-N 3.28Å |
| 935 | L | 92.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -82.3 | -27.6 | -176.2 | -64 | -175.2 | 0 | 0 | 0 | 112.7 | I854 L859 V864 L868 L903 Y912 Y931 | I854-L935 HydrophobicContact CD1-CD1 3.86Å; L859-L935 HydrophobicContact CD1-CD2 4.42Å; L859-L935 WeakPolarHBondContact CD1-O 3.43Å; V864-L935 HydrophobicContact CB-CD2 4.35Å; V864-L935 HydrophobicContact CG1-CD1 4.41Å; V864-L935 HydrophobicContact CG1-CD2 3.92Å; V864-L935 HydrophobicContact CG2-CD2 4.18Å; L868-L935 HydrophobicContact CD1-CD2 4.32Å; L868-L935 HydrophobicContact CD2-CD2 4.45Å; L868-L935 HydrophobicContact CG-CD2 4.12Å; L903-L935 HydrophobicContact CD2-CD1 4.26Å; Y912-L935 HydrophobicContact CD2-CD1 4.38Å; Y931-L935 WeakPolarHBondContact O-CB 3.46Å; Y931-L935 VanDerWaalsContact O-CG 3.26Å; Y931-L935 WeakPolarHBondContact O-CG 3.31Å; Y931-L935 PolarHBondContact O-N 3.27Å |
| 936 | K | 87.4 | Confident | 92.1 | Very high | 106 Ų | 106 | 39.6 Ų | 39.6 | 46% | 0.461 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -81.8 | -20.4 | 177.1 | -73.3 | 176.9 | 177 | 163.8 | 0 | 114.8 | K855 D932 | K855-K936 WeakPolarHBondContact O-CE 3.36Å; D932-K936 WeakPolarHBondContact O-CB 3.16Å; D932-K936 WeakPolarHBondContact O-CG 3.14Å; D932-K936 PolarHBondContact O-N 3.43Å; D932-K936 VanDerWaalsContact O-N 3.14Å; D932-K936 WeakPolarHBondContact OD1-CE 3.47Å; D932-K936 IonicContact OD1-NZ 2.68Å; D932-K936 PolarHBondContact OD1-NZ 2.62Å; D932-K936 IonicContact OD2-NZ 2.79Å; D932-K936 PolarHBondContact OD2-NZ 3.15Å |
| 937 | N | 77.4 | Confident | 91.9 | Very high | 126 Ų | 126 | 41.5 Ų | 41.5 | 67% | 0.674 | 21% | 0.205 | S | C | * | . | trans | -101.7 | 0 | 171.7 | -67.8 | -81.6 | 0 | 0 | 0 | 109.3 | Y707 K867 S933 | Y707-N937 HydrophobicContact CD2-CB 3.96Å; Y707-N937 HydrophobicContact CE2-CB 3.97Å; Y707-N937 WeakPolarHBondContact CE2-ND2 3.13Å; K867-N937 PolarHBondContact NZ-O 3.15Å; K867-N937 PolarHBondContact NZ-OXT 3.18Å; S933-N937 PolarHBondContact O-N 2.76Å; S933-N937 PolarHBondContact O-ND2 2.8Å |
Retrieved 937 of 937 residues in 329.2 ms
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