| 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 | 34.3 | Very low | 51.4 | Low | 247 Ų | 247 | 108.3 Ų | 108.3 | 100% | 1.217 | 57% | 0.572 | S | S | * | * | 0 | 114.1 | 0 | -92.9 | 168.8 | 156.1 | 0 | 0 | 108.2 | R3 | M1-R3 PolarHBondContact O-N 3.21Š| |||
| 2 | V | 37.5 | Very low | 52.7 | Low | 103 Ų | 103 | 106.8 Ų | 106.8 | 62% | 0.624 | 57% | 0.565 | S | S | * | * | trans | -81.4 | 113 | 174.7 | 179.7 | 0 | 0 | 0 | 0 | 106.6 | M4 | V2-M4 PolarHBondContact O-N 3.41Š| ||
| 3 | R | 39 | Very low | 53.8 | Low | 240 Ų | 240 | 110.7 Ų | 110.7 | 91% | 0.906 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 120.3 | 176 | -82.1 | -177.7 | 175.8 | 175.8 | -1.5 | 108.6 | M1 | M1-R3 PolarHBondContact O-N 3.21Š|
| 4 | M | 48.9 | Very low | 54.7 | Low | 141 Ų | 141 | 112.6 Ų | 112.6 | 70% | 0.695 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 149.1 | 173.6 | -58.9 | -154.5 | -157.9 | 0 | 0 | 109.5 | V2 Q582 | V2-M4 PolarHBondContact O-N 3.41Å; M4-Q582 HydrophobicContact SD-CG 3.85Å |
| 5 | G | 51.3 | Low | 55.6 | Low | 26 Ų | 26 | 106.7 Ų | 106.7 | 27% | 0.268 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 159.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | D7 | G5-D7 PolarHBondContact O-N 2.99Š|
| 6 | P | 51.8 | Low | 56.7 | Low | 120 Ų | 120 | 105.3 Ų | 105.3 | 78% | 0.779 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 131.1 | 177.4 | 25.9 | -32.4 | 0 | 0 | 0 | 111.1 | V8 | P6-V8 VanDerWaalsContact C-N 3.31Å; P6-V8 PolarHBondContact O-N 3.37Å |
| 7 | D | 55 | Low | 57.7 | Low | 83 Ų | 83 | 104.1 Ų | 104.1 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | trans | -76.9 | 81.2 | 175.5 | -68.2 | -63.9 | 0 | 0 | 0 | 110.8 | G5 Q582 | G5-D7 PolarHBondContact O-N 2.99Å; D7-Q582 WeakPolarHBondContact OD1-CG 3.5Å; D7-Q582 WeakPolarHBondContact OD2-CG 3.43Å; D7-Q582 PolarHBondContact OD2-NE2 2.84Å | ||
| 8 | V | 58.7 | Low | 58.5 | Low | 73 Ų | 73 | 99.1 Ų | 99.1 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | trans | -75.3 | 127.5 | 169.3 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | P6 | P6-V8 VanDerWaalsContact C-N 3.31Å; P6-V8 PolarHBondContact O-N 3.37Å | ||
| 9 | P | 60.7 | Low | 59.5 | Low | 75 Ų | 75 | 96.3 Ų | 96.3 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | trans | -60.3 | 148.4 | -179.9 | 23.5 | -33.1 | 0 | 0 | 0 | 112 | L11 R1176 | P9-L11 VanDerWaalsContact C-N 3.33Å; P9-L11 PolarHBondContact O-N 3.4Å; P9-R1176 PolarHBondContact O-NH2 3.13Å | ||
| 10 | L | 63.4 | Low | 60.5 | Low | 62 Ų | 62 | 98.6 Ų | 98.6 | 33% | 0.325 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -68.2 | -25.4 | -178.2 | -85.2 | 172.8 | 0 | 0 | 0 | 114.7 | F616 L618 R1176 | L10-F616 HydrophobicContact CD2-CB 3.72Å; L10-F616 HydrophobicContact CD2-CD2 3.85Å; L10-F616 HydrophobicContact CD2-CG 3.91Å; L10-L618 HydrophobicContact CD1-CD1 3.73Å; L10-L618 HydrophobicContact CD2-CD1 3.77Å; L10-L618 HydrophobicContact CD2-CG 4.4Å; L10-L618 HydrophobicContact CG-CD1 4.3Å; L10-R1176 PolarHBondContact O-NH1 3.26Å; L10-R1176 PolarHBondContact O-NH2 3.47Å |
| 11 | L | 64.4 | Low | 61.4 | Low | 21 Ų | 21 | 95.8 Ų | 95.8 | 11% | 0.11 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -139.7 | 136 | 169 | -72.6 | 169.6 | 0 | 0 | 0 | 106.5 | P9 K15 Q16 F19 F616 | P9-L11 VanDerWaalsContact C-N 3.33Å; P9-L11 PolarHBondContact O-N 3.4Å; L11-K15 HydrophobicContact CB-CB 4.32Å; L11-K15 HydrophobicContact CD2-CB 4.18Å; L11-Q16 HydrophobicContact CB-CG 3.53Å; L11-Q16 HydrophobicContact CD1-CG 4.48Å; L11-Q16 PolarHBondContact O-NE2 3.35Å; L11-F19 HydrophobicContact CD1-CB 4.25Å; L11-F19 HydrophobicContact CD1-CG 4.49Å; L11-F616 HydrophobicContact CD1-CZ 4.47Å; L11-F616 HydrophobicContact CD2-CE1 4.22Å; L11-F616 HydrophobicContact CD2-CZ 4Å; L11-F616 HydrophobicContact CG-CZ 4.14Å |
| 12 | N | 67.4 | Low | 63.7 | Low | 91 Ų | 91 | 84.6 Ų | 84.6 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | trans | -63 | 155.4 | 171.3 | -162.1 | 1.5 | 0 | 0 | 0 | 109.6 | Y14 K15 Q16 | N12-Y14 VanDerWaalsContact C-N 3.31Å; N12-Y14 PolarHBondContact O-N 3.49Å; N12-K15 HydrophobicContact CB-CD 4.44Å; N12-K15 HydrophobicContact CB-CG 4.49Å; N12-K15 CarbonylContact O-C 3.6Å; N12-K15 WeakPolarHBondContact O-CA 3.33Å; N12-K15 WeakPolarHBondContact O-CB 3.39Å; N12-K15 PolarHBondContact O-N 3.4Å; N12-Q16 PolarHBondContact O-N 2.99Å | ||
| 13 | E | 67.7 | Low | 65.9 | Low | 157 Ų | 157 | 83.3 Ų | 83.3 | 73% | 0.734 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -55.6 | -43.8 | -172.8 | -68 | -174.3 | 168.4 | 0 | 0 | 112.5 | K15 Q16 E17 | E13-K15 VanDerWaalsContact C-N 3.33Å; E13-K15 PolarHBondContact O-N 3Å; E13-Q16 WeakPolarHBondContact O-CB 3.43Å; E13-Q16 PolarHBondContact O-N 3.22Å; E13-E17 PolarHBondContact O-N 3.22Å; E13-E17 VanDerWaalsContact O-N 3.11Å |
| 14 | Y | 65.8 | Low | 68.2 | Low | 138 Ų | 138 | 74 Ų | 74 | 54% | 0.541 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -54.1 | -46.6 | 171.6 | 178.1 | -100.3 | 0 | 0 | 0 | 112.6 | N12 Q16 E17 F18 E117 | N12-Y14 VanDerWaalsContact C-N 3.31Å; N12-Y14 PolarHBondContact O-N 3.49Å; Y14-Q16 PolarHBondContact O-N 3.34Å; Y14-E17 WeakPolarHBondContact O-CB 3.49Å; Y14-E17 PolarHBondContact O-N 2.92Å; Y14-F18 PolarHBondContact O-N 3.05Å; Y14-F18 VanDerWaalsContact O-N 3.09Å; Y14-E117 PolarHBondContact OH-OE2 3.19Å |
| 15 | K | 68.2 | Low | 70 | Confident | 24 Ų | 24 | 68 Ų | 68 | 10% | 0.104 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.1 | -28.5 | -178.8 | -65.8 | -179.9 | 173.2 | 169.2 | 0 | 112.4 | L11 N12 E13 F18 F19 N1171 | L11-K15 HydrophobicContact CB-CB 4.32Å; L11-K15 HydrophobicContact CD2-CB 4.18Å; N12-K15 HydrophobicContact CB-CD 4.44Å; N12-K15 HydrophobicContact CB-CG 4.49Å; N12-K15 CarbonylContact O-C 3.6Å; N12-K15 WeakPolarHBondContact O-CA 3.33Å; N12-K15 WeakPolarHBondContact O-CB 3.39Å; N12-K15 PolarHBondContact O-N 3.4Å; E13-K15 VanDerWaalsContact C-N 3.33Å; E13-K15 PolarHBondContact O-N 3Å; K15-F18 WeakPolarHBondContact O-CB 3.36Å; K15-F18 PolarHBondContact O-N 3.03Å; K15-F19 PolarHBondContact O-N 3.12Å; K15-N1171 PolarHBondContact NZ-OD1 3.05Å |
| 16 | Q | 72.6 | Confident | 71.7 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 172.2 | -68.8 | -179.1 | 22.8 | 0 | 0 | 110.6 | L11 N12 E13 Y14 F18 F19 W20 | L11-Q16 HydrophobicContact CB-CG 3.53Å; L11-Q16 HydrophobicContact CD1-CG 4.48Å; L11-Q16 PolarHBondContact O-NE2 3.35Å; N12-Q16 PolarHBondContact O-N 2.99Å; E13-Q16 WeakPolarHBondContact O-CB 3.43Å; E13-Q16 PolarHBondContact O-N 3.22Å; Y14-Q16 PolarHBondContact O-N 3.34Å; Q16-F18 PolarHBondContact O-N 3.21Å; Q16-F19 PolarHBondContact O-N 2.96Å; Q16-W20 PolarHBondContact O-N 3.38Å |
| 17 | E | 73.6 | Confident | 73.5 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 175.9 | -159.3 | -165.6 | 138.7 | 0 | 0 | 110.8 | E13 Y14 W20 K21 | E13-E17 PolarHBondContact O-N 3.22Å; E13-E17 VanDerWaalsContact O-N 3.11Å; Y14-E17 WeakPolarHBondContact O-CB 3.49Å; Y14-E17 PolarHBondContact O-N 2.92Å; E17-W20 PolarHBondContact O-N 3.33Å; E17-K21 WeakPolarHBondContact O-CG 3.25Å; E17-K21 PolarHBondContact O-N 3.31Å; E17-K21 WeakPolarHBondContact OE1-CE 3.48Å; E17-K21 IonicContact OE1-NZ 2.95Å; E17-K21 PolarHBondContact OE1-NZ 3.31Å |
| 18 | F | 72.6 | Confident | 75.1 | Confident | 14 Ų | 14 | 61.9 Ų | 61.9 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.5 | -49.6 | 175.5 | -172.2 | -93.8 | 0 | 0 | 0 | 113.4 | Y14 K15 Q16 W20 K21 R22 E117 T1170 | Y14-F18 PolarHBondContact O-N 3.05Å; Y14-F18 VanDerWaalsContact O-N 3.09Å; K15-F18 WeakPolarHBondContact O-CB 3.36Å; K15-F18 PolarHBondContact O-N 3.03Å; Q16-F18 PolarHBondContact O-N 3.21Å; F18-W20 VanDerWaalsContact C-N 3.29Å; F18-W20 PolarHBondContact O-N 3.47Å; F18-K21 WeakPolarHBondContact O-CB 3.4Å; F18-K21 PolarHBondContact O-N 3.48Å; F18-R22 VanDerWaalsContact CE1-CD 3.43Å; F18-R22 HydrophobicContact CE1-CG 4.28Å; F18-R22 VanDerWaalsContact CE1-CZ 3.4Å; F18-R22 VanDerWaalsContact CZ-NH2 3.31Å; F18-R22 PolarHBondContact O-N 3.43Å; F18-R22 VanDerWaalsContact O-N 3.12Å; F18-E117 VanDerWaalsContact CD2-OE1 3.24Å; F18-E117 WeakPolarHBondContact CD2-OE1 3.43Å; F18-E117 WeakPolarHBondContact CE2-OE1 3.32Å; F18-T1170 WeakPolarHBondContact CD1-OG1 3.47Å; F18-T1170 HydrophobicContact CE1-CG2 3.52Å; F18-T1170 WeakPolarHBondContact CE1-OG1 3.12Å; F18-T1170 HydrophobicContact CZ-CG2 3.45Å; F18-T1170 VanDerWaalsContact CZ-CG2 3.45Å; F18-T1170 WeakPolarHBondContact CZ-OG1 3.35Å |
| 19 | F | 77.8 | Confident | 76.2 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 20% | 0.202 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 175.4 | 177.7 | -92.3 | 0 | 0 | 0 | 111.6 | L11 K15 Q16 K21 R22 F23 W1164 Y1168 | L11-F19 HydrophobicContact CD1-CB 4.25Å; L11-F19 HydrophobicContact CD1-CG 4.49Å; K15-F19 PolarHBondContact O-N 3.12Å; Q16-F19 PolarHBondContact O-N 2.96Å; F19-K21 VanDerWaalsContact C-N 3.26Å; F19-K21 PolarHBondContact O-N 3.13Å; F19-R22 PolarHBondContact O-N 2.94Å; F19-F23 HydrophobicContact CD1-CB 4.36Å; F19-F23 HydrophobicContact CE1-CB 3.94Å; F19-F23 HydrophobicContact CE1-CD2 4.33Å; F19-F23 HydrophobicContact CE1-CG 4.13Å; F19-F23 HydrophobicContact CZ-CB 4.03Å; F19-F23 AromaticContact CZ-CD2 3.81Å; F19-F23 HydrophobicContact CZ-CD2 3.81Å; F19-F23 HydrophobicContact CZ-CG 4.06Å; F19-F23 WeakPolarHBondContact O-CB 3.38Å; F19-F23 PolarHBondContact O-N 3.35Å; F19-W1164 HydrophobicContact CE2-CH2 4.28Å; F19-W1164 HydrophobicContact CE2-CZ2 4.16Å; F19-Y1168 HydrophobicContact CD2-CE1 4.15Å; F19-Y1168 AromaticContact CE2-CE1 3.92Å; F19-Y1168 HydrophobicContact CE2-CE1 3.92Å |
| 20 | W | 79.9 | Confident | 77.3 | Confident | 141 Ų | 141 | 54.9 Ų | 54.9 | 53% | 0.534 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.8 | -17.1 | 177.9 | -77.8 | 116.1 | 0 | 0 | 0 | 114.2 | Q16 E17 F18 P24 | Q16-W20 PolarHBondContact O-N 3.38Å; E17-W20 PolarHBondContact O-N 3.33Å; F18-W20 VanDerWaalsContact C-N 3.29Å; F18-W20 PolarHBondContact O-N 3.47Å; W20-P24 VanDerWaalsContact O-CD 3.23Å; W20-P24 WeakPolarHBondContact O-CD 3.22Å; W20-P24 WeakPolarHBondContact O-CG 3.29Å |
| 21 | K | 78.9 | Confident | 78.4 | Confident | 41 Ų | 41 | 52 Ų | 52 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -76.8 | -44.9 | 168.1 | -70.2 | 171 | -171.1 | 174.8 | 0 | 110.8 | E17 F18 F19 Q25 K34 | E17-K21 WeakPolarHBondContact O-CG 3.25Å; E17-K21 PolarHBondContact O-N 3.31Å; E17-K21 WeakPolarHBondContact OE1-CE 3.48Å; E17-K21 IonicContact OE1-NZ 2.95Å; E17-K21 PolarHBondContact OE1-NZ 3.31Å; F18-K21 WeakPolarHBondContact O-CB 3.4Å; F18-K21 PolarHBondContact O-N 3.48Å; F19-K21 VanDerWaalsContact C-N 3.26Å; F19-K21 PolarHBondContact O-N 3.13Å; K21-Q25 WeakPolarHBondContact O-CG 3.47Å; K21-Q25 PolarHBondContact O-NE2 3.48Å; K21-K34 HydrophobicContact CG-CG 4.41Å |
| 22 | R | 81.7 | Confident | 79.3 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -78.2 | -43.7 | -175.5 | -72.1 | -171.8 | 170.9 | -168.1 | -6.8 | 114.5 | F18 F19 Q25 T26 N113 A201 L1167 Y1168 T1170 | F18-R22 VanDerWaalsContact CE1-CD 3.43Å; F18-R22 HydrophobicContact CE1-CG 4.28Å; F18-R22 VanDerWaalsContact CE1-CZ 3.4Å; F18-R22 VanDerWaalsContact CZ-NH2 3.31Å; F18-R22 PolarHBondContact O-N 3.43Å; F18-R22 VanDerWaalsContact O-N 3.12Å; F19-R22 PolarHBondContact O-N 2.94Å; R22-Q25 WeakPolarHBondContact O-CA 3.23Å; R22-Q25 VanDerWaalsContact O-CB 3.26Å; R22-Q25 WeakPolarHBondContact O-CB 3.46Å; R22-Q25 PolarHBondContact O-N 3.03Å; R22-T26 PolarHBondContact O-N 3.17Å; R22-T26 PolarHBondContact O-OG1 3.26Å; R22-T26 VanDerWaalsContact O-OG1 3.05Å; R22-N113 PolarHBondContact NH2-O 3.3Å; R22-A201 HydrophobicContact CG-CB 4.48Å; R22-L1167 PolarHBondContact NH1-O 3.45Å; R22-Y1168 PolarHBondContact NH1-O 2.67Å; R22-T1170 VanDerWaalsContact NH1-CG2 3.28Å |
| 23 | F | 85.4 | Confident | 80 | Confident | 76 Ų | 76 | 52 Ų | 52 | 33% | 0.333 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.4 | -44.9 | -173 | -179.5 | -99.2 | 0 | 0 | 0 | 114 | F19 Q25 T26 V27 | F19-F23 HydrophobicContact CD1-CB 4.36Å; F19-F23 HydrophobicContact CE1-CB 3.94Å; F19-F23 HydrophobicContact CE1-CD2 4.33Å; F19-F23 HydrophobicContact CE1-CG 4.13Å; F19-F23 HydrophobicContact CZ-CB 4.03Å; F19-F23 AromaticContact CZ-CD2 3.81Å; F19-F23 HydrophobicContact CZ-CD2 3.81Å; F19-F23 HydrophobicContact CZ-CG 4.06Å; F19-F23 WeakPolarHBondContact O-CB 3.38Å; F19-F23 PolarHBondContact O-N 3.35Å; F23-Q25 VanDerWaalsContact C-N 3.31Å; F23-Q25 PolarHBondContact O-N 3.16Å; F23-T26 WeakPolarHBondContact O-CB 3.49Å; F23-T26 PolarHBondContact O-N 3.15Å; F23-V27 HydrophobicContact CD1-CG2 4.38Å; F23-V27 HydrophobicContact CE1-CG2 3.96Å; F23-V27 HydrophobicContact CE2-CG2 4.25Å; F23-V27 HydrophobicContact CZ-CG2 3.9Å; F23-V27 WeakPolarHBondContact O-CG2 3.29Å; F23-V27 PolarHBondContact O-N 3.36Å |
| 24 | P | 86.3 | Confident | 80.7 | Confident | 44 Ų | 44 | 49.1 Ų | 49.1 | 29% | 0.286 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63 | -35.4 | 173.6 | -22.2 | 34.6 | 0 | 0 | 0 | 113.4 | W20 T26 V27 L28 | W20-P24 VanDerWaalsContact O-CD 3.23Å; W20-P24 WeakPolarHBondContact O-CD 3.22Å; W20-P24 WeakPolarHBondContact O-CG 3.29Å; P24-T26 VanDerWaalsContact C-N 3.34Å; P24-V27 PolarHBondContact O-N 2.94Å; P24-L28 WeakPolarHBondContact O-CB 3.11Å; P24-L28 WeakPolarHBondContact O-CG 3.48Å; P24-L28 PolarHBondContact O-N 3.36Å |
| 25 | Q | 86.5 | Confident | 81 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.5 | -41.3 | 176.4 | -58.5 | 173 | 11.5 | 0 | 0 | 110.6 | K21 R22 F23 L28 G29 G30 P31 R32 | K21-Q25 WeakPolarHBondContact O-CG 3.47Å; K21-Q25 PolarHBondContact O-NE2 3.48Å; R22-Q25 WeakPolarHBondContact O-CA 3.23Å; R22-Q25 VanDerWaalsContact O-CB 3.26Å; R22-Q25 WeakPolarHBondContact O-CB 3.46Å; R22-Q25 PolarHBondContact O-N 3.03Å; F23-Q25 VanDerWaalsContact C-N 3.31Å; F23-Q25 PolarHBondContact O-N 3.16Å; Q25-L28 PolarHBondContact O-N 3.14Å; Q25-G29 PolarHBondContact O-N 3.33Å; Q25-G30 PolarHBondContact O-N 3.49Å; Q25-P31 WeakPolarHBondContact CG-O 3.27Å; Q25-R32 HydrophobicContact CG-CG 4.24Å |
| 26 | T | 88.1 | Confident | 81 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.9 | -48.5 | 175.6 | -44.1 | 0 | 0 | 0 | 0 | 111.5 | R22 F23 P24 L28 G29 A201 T203 R219 Y1168 | R22-T26 PolarHBondContact O-N 3.17Å; R22-T26 PolarHBondContact O-OG1 3.26Å; R22-T26 VanDerWaalsContact O-OG1 3.05Å; F23-T26 WeakPolarHBondContact O-CB 3.49Å; F23-T26 PolarHBondContact O-N 3.15Å; P24-T26 VanDerWaalsContact C-N 3.34Å; T26-L28 VanDerWaalsContact C-N 3.35Å; T26-L28 PolarHBondContact O-N 3.05Å; T26-G29 PolarHBondContact O-N 3.25Å; T26-A201 WeakPolarHBondContact CG2-O 3.18Å; T26-A201 PolarHBondContact OG1-O 2.78Å; T26-T203 HydrophobicContact CG2-CG2 4.39Å; T26-R219 PolarHBondContact O-NH1 3.33Å; T26-R219 PolarHBondContact O-NH2 3.43Å; T26-Y1168 HydrophobicContact CG2-CE2 4.46Å; T26-Y1168 PolarHBondContact OG1-OH 3.42Å |
| 27 | V | 88.4 | Confident | 81.1 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 29% | 0.285 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.8 | -40.6 | -179.3 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | F23 P24 A261 | F23-V27 HydrophobicContact CD1-CG2 4.38Å; F23-V27 HydrophobicContact CE1-CG2 3.96Å; F23-V27 HydrophobicContact CE2-CG2 4.25Å; F23-V27 HydrophobicContact CZ-CG2 3.9Å; F23-V27 WeakPolarHBondContact O-CG2 3.29Å; F23-V27 PolarHBondContact O-N 3.36Å; P24-V27 PolarHBondContact O-N 2.94Å; V27-A261 HydrophobicContact CG2-CB 3.88Å |
| 28 | L | 88.6 | Confident | 81 | Confident | 54 Ų | 54 | 45.7 Ų | 45.7 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -90.1 | -5.8 | -176.6 | -62.6 | 173.2 | 0 | 0 | 0 | 114.2 | P24 Q25 T26 P31 F33 F51 | P24-L28 WeakPolarHBondContact O-CB 3.11Å; P24-L28 WeakPolarHBondContact O-CG 3.48Å; P24-L28 PolarHBondContact O-N 3.36Å; Q25-L28 PolarHBondContact O-N 3.14Å; T26-L28 VanDerWaalsContact C-N 3.35Å; T26-L28 PolarHBondContact O-N 3.05Å; L28-P31 HydrophobicContact CB-CG 4.27Å; L28-P31 WeakPolarHBondContact O-CD 3.38Å; L28-F33 HydrophobicContact CD1-CD2 3.7Å; L28-F33 HydrophobicContact CD1-CE2 3.79Å; L28-F51 WeakPolarHBondContact O-CE2 3.34Å |
| 29 | G | 82.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 30 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q25 T26 P31 Y193 | Q25-G29 PolarHBondContact O-N 3.33Å; T26-G29 PolarHBondContact O-N 3.25Å; G29-P31 VanDerWaalsContact C-CD 3.45Å; G29-Y193 WeakPolarHBondContact O-CD1 3.24Å |
| 30 | G | 82.9 | Confident | 81.8 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 128.5 | -29.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q25 R32 | Q25-G30 PolarHBondContact O-N 3.49Å; G30-R32 PolarHBondContact O-N 3.41Å |
| 31 | P | 86.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | trans | -58.2 | 127.4 | -178.2 | -25.3 | 33 | 0 | 0 | 0 | 112.8 | Q25 L28 G29 F33 F51 Y193 | Q25-P31 WeakPolarHBondContact CG-O 3.27Å; L28-P31 HydrophobicContact CB-CG 4.27Å; L28-P31 WeakPolarHBondContact O-CD 3.38Å; G29-P31 VanDerWaalsContact C-CD 3.45Å; P31-F33 HydrophobicContact CB-CD2 4.04Å; P31-F33 HydrophobicContact CB-CE2 3.53Å; P31-F33 HydrophobicContact CB-CZ 3.86Å; P31-F33 HydrophobicContact CG-CE2 4.41Å; P31-F33 PolarHBondContact O-N 3.22Å; P31-F51 HydrophobicContact CG-CD2 3.76Å; P31-F51 HydrophobicContact CG-CE2 4.33Å; P31-F51 HydrophobicContact CG-CG 4.32Å; P31-Y193 HydrophobicContact CB-CE1 4.46Å; P31-Y193 VanDerWaalsContact CD-CE1 3.5Å; P31-Y193 HydrophobicContact CG-CD1 4.08Å; P31-Y193 HydrophobicContact CG-CD2 4.34Å; P31-Y193 HydrophobicContact CG-CE1 3.75Å; P31-Y193 HydrophobicContact CG-CE2 4.01Å; P31-Y193 HydrophobicContact CG-CG 4.33Å | ||
| 32 | R | 84.2 | Confident | 82.6 | Confident | 26 Ų | 26 | 43.8 Ų | 43.8 | 10% | 0.098 | 25% | 0.245 | C | C | . | . | trans | -97.1 | 74.9 | -177.2 | -56.5 | -170 | 176.6 | 175.9 | -1.4 | 111 | Q25 G30 K34 L35 D116 N198 | Q25-R32 HydrophobicContact CG-CG 4.24Å; G30-R32 PolarHBondContact O-N 3.41Å; R32-K34 VanDerWaalsContact C-N 3.29Å; R32-K34 PolarHBondContact O-N 3.38Å; R32-L35 HydrophobicContact CB-CD2 3.67Å; R32-D116 IonicContact CZ-OD1 3.99Å; R32-D116 IonicContact CZ-OD2 3.98Å; R32-D116 IonicContact NH1-OD1 3.78Å; R32-D116 IonicContact NH2-OD1 2.81Å; R32-D116 PolarHBondContact NH2-OD1 3.37Å; R32-D116 IonicContact NH2-OD2 2.94Å; R32-D116 PolarHBondContact NH2-OD2 3.49Å; R32-D116 VanDerWaalsContact NH2-OD2 3.15Å; R32-N198 VanDerWaalsContact CZ-ND2 3.31Å; R32-N198 PolarHBondContact NE-ND2 3.24Å; R32-N198 PolarHBondContact NH2-ND2 2.87Å | ||
| 33 | F | 82.6 | Confident | 82.8 | Confident | 85 Ų | 85 | 43.2 Ų | 43.2 | 37% | 0.373 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -77.4 | -9.7 | 178.2 | -65.7 | -57.1 | 0 | 0 | 0 | 114.7 | L28 P31 Y44 A48 | L28-F33 HydrophobicContact CD1-CD2 3.7Å; L28-F33 HydrophobicContact CD1-CE2 3.79Å; P31-F33 HydrophobicContact CB-CD2 4.04Å; P31-F33 HydrophobicContact CB-CE2 3.53Å; P31-F33 HydrophobicContact CB-CZ 3.86Å; P31-F33 HydrophobicContact CG-CE2 4.41Å; P31-F33 PolarHBondContact O-N 3.22Å; F33-Y44 HydrophobicContact CD1-CD1 4.1Å; F33-Y44 WeakPolarHBondContact O-CE1 3.42Å; F33-A48 HydrophobicContact CE1-CB 4.39Å; F33-A48 HydrophobicContact CZ-CB 4.4Å |
| 34 | K | 81.2 | Confident | 82.9 | Confident | 97 Ų | 97 | 42.5 Ų | 42.5 | 42% | 0.422 | 24% | 0.239 | S | C | . | . | trans | -132 | 104.4 | 176.2 | -168.8 | 176.9 | -177.5 | -177.5 | 0 | 109.5 | K21 R32 | K21-K34 HydrophobicContact CG-CG 4.41Å; R32-K34 VanDerWaalsContact C-N 3.29Å; R32-K34 PolarHBondContact O-N 3.38Å | ||
| 35 | L | 72.3 | Confident | 83.1 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 10% | 0.099 | 25% | 0.25 | C | C | . | . | trans | -98.2 | -18.3 | -173.8 | -66.5 | 169 | 0 | 0 | 0 | 113.9 | R32 Y37 A39 Y44 F133 | R32-L35 HydrophobicContact CB-CD2 3.67Å; L35-Y37 HydrophobicContact CB-CD1 4.31Å; L35-Y37 HydrophobicContact CB-CE1 4.11Å; L35-Y37 WeakPolarHBondContact O-CD1 3.14Å; L35-Y37 PolarHBondContact O-N 3.3Å; L35-A39 HydrophobicContact CD1-CB 3.49Å; L35-A39 VanDerWaalsContact CD1-CB 3.49Å; L35-Y44 HydrophobicContact CD1-CE1 3.98Å; L35-Y44 HydrophobicContact CG-CE1 4.32Å; L35-F133 HydrophobicContact CD1-CE1 4.43Å; L35-F133 HydrophobicContact CD1-CZ 4.18Å; L35-F133 HydrophobicContact CD2-CE1 4.44Å; L35-F133 HydrophobicContact CD2-CE2 4.42Å; L35-F133 HydrophobicContact CD2-CZ 3.58Å | ||
| 36 | G | 69 | Low | 83.2 | Confident | 47 Ų | 47 | 46.2 Ų | 46.2 | 49% | 0.485 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 84.7 | -15.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 37 | Y | 73.5 | Confident | 83.3 | Confident | 59 Ų | 59 | 46.4 Ų | 46.4 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -129 | 167.2 | 173.1 | 60.1 | -89.1 | 0 | 0 | 0 | 111.2 | L35 A39 E119 F122 | L35-Y37 HydrophobicContact CB-CD1 4.31Å; L35-Y37 HydrophobicContact CB-CE1 4.11Å; L35-Y37 WeakPolarHBondContact O-CD1 3.14Å; L35-Y37 PolarHBondContact O-N 3.3Å; Y37-A39 PolarHBondContact O-N 3.4Å; Y37-E119 HydrophobicContact CD1-CG 4.38Å; Y37-F122 AromaticContact CE2-CE2 3.95Å; Y37-F122 HydrophobicContact CE2-CE2 3.95Å |
| 38 | C | 73.3 | Confident | 83.4 | Confident | 135 Ų | 135 | 45.7 Ų | 45.7 | 91% | 0.912 | 26% | 0.26 | S | S | * | . | trans | -74.6 | 93.6 | -176.2 | -69.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 39 | A | 80.2 | Confident | 83.5 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | trans | -91.5 | 141.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L35 Y37 I43 Y44 F122 | L35-A39 HydrophobicContact CD1-CB 3.49Å; L35-A39 VanDerWaalsContact CD1-CB 3.49Å; Y37-A39 PolarHBondContact O-N 3.4Å; A39-I43 HydrophobicContact CB-CD1 3.93Å; A39-Y44 HydrophobicContact CB-CE2 4.17Å; A39-F122 HydrophobicContact CB-CD2 4.49Å; A39-F122 HydrophobicContact CB-CE2 4.18Å | ||
| 40 | P | 86.4 | Confident | 83.9 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 23% | 0.234 | 28% | 0.282 | C | S | . | . | trans | -54.7 | 146.5 | 174.4 | -29.1 | 33.4 | 0 | 0 | 0 | 114.5 | Y42 I43 F122 | P40-Y42 HydrophobicContact CB-CD1 3.5Å; P40-Y42 VanDerWaalsContact CB-CD1 3.5Å; P40-Y42 HydrophobicContact CB-CE1 3.12Å; P40-Y42 HydrophobicContact CB-CE2 4.26Å; P40-Y42 HydrophobicContact CB-CG 4.23Å; P40-Y42 HydrophobicContact CG-CE1 3.76Å; P40-Y42 PolarHBondContact O-N 2.88Å; P40-Y42 VanDerWaalsContact O-N 3.13Å; P40-I43 HydrophobicContact CB-CD1 4.3Å; P40-I43 HydrophobicContact CG-CD1 4.26Å; P40-I43 PolarHBondContact O-N 3.36Å; P40-I43 VanDerWaalsContact O-N 3.14Å; P40-F122 HydrophobicContact CG-CB 4.06Å | ||
| 41 | P | 87.2 | Confident | 84.4 | Confident | 101 Ų | 101 | 50.5 Ų | 50.5 | 66% | 0.656 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.7 | -28.5 | -174.5 | 23.8 | -33.9 | 0 | 0 | 0 | 113.6 | I43 Y44 V45 | P41-I43 PolarHBondContact O-N 2.8Å; P41-Y44 PolarHBondContact O-N 3.27Å; P41-V45 WeakPolarHBondContact O-CG2 3.41Å; P41-V45 PolarHBondContact O-N 3.26Å |
| 42 | Y | 87.3 | Confident | 84.7 | Confident | 49 Ų | 49 | 54.5 Ų | 54.5 | 19% | 0.192 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.5 | -23.5 | -179.9 | 61.8 | -105.6 | 0 | 0 | 0 | 113.4 | P40 N46 F122 C125 T130 | P40-Y42 HydrophobicContact CB-CD1 3.5Å; P40-Y42 VanDerWaalsContact CB-CD1 3.5Å; P40-Y42 HydrophobicContact CB-CE1 3.12Å; P40-Y42 HydrophobicContact CB-CE2 4.26Å; P40-Y42 HydrophobicContact CB-CG 4.23Å; P40-Y42 HydrophobicContact CG-CE1 3.76Å; P40-Y42 PolarHBondContact O-N 2.88Å; P40-Y42 VanDerWaalsContact O-N 3.13Å; Y42-N46 VanDerWaalsContact O-CB 3.31Å; Y42-N46 WeakPolarHBondContact O-CB 3.49Å; Y42-N46 PolarHBondContact O-N 2.74Å; Y42-N46 PolarHBondContact O-ND2 2.8Å; Y42-N46 PolarHBondContact O-OD1 3.27Å; Y42-F122 WeakPolarHBondContact OH-CB 3.47Å; Y42-C125 HydrophobicContact CD2-CB 4.13Å; Y42-C125 HydrophobicContact CE2-CB 4.42Å; Y42-C125 HydrophobicContact CG-CB 4.48Å; Y42-T130 HydrophobicContact CE2-CG2 4.1Å |
| 43 | I | 85.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69 | -46.8 | 178.8 | -65.2 | 161.6 | 0 | 0 | 0 | 110.2 | A39 P40 P41 V45 N46 Q47 F122 F133 | A39-I43 HydrophobicContact CB-CD1 3.93Å; P40-I43 HydrophobicContact CB-CD1 4.3Å; P40-I43 HydrophobicContact CG-CD1 4.26Å; P40-I43 PolarHBondContact O-N 3.36Å; P40-I43 VanDerWaalsContact O-N 3.14Å; P41-I43 PolarHBondContact O-N 2.8Å; I43-V45 VanDerWaalsContact C-N 3.34Å; I43-N46 PolarHBondContact O-N 3.08Å; I43-Q47 WeakPolarHBondContact O-CG 3.42Å; I43-Q47 PolarHBondContact O-N 3.07Å; I43-F122 HydrophobicContact CD1-CB 4.07Å; I43-F122 HydrophobicContact CD1-CD1 3.62Å; I43-F122 HydrophobicContact CD1-CD2 3.32Å; I43-F122 HydrophobicContact CD1-CE1 3.78Å; I43-F122 HydrophobicContact CD1-CE2 3.47Å; I43-F122 VanDerWaalsContact CD1-CE2 3.47Å; I43-F122 HydrophobicContact CD1-CG 3.39Å; I43-F122 HydrophobicContact CD1-CZ 3.7Å; I43-F122 HydrophobicContact CG1-CD1 4.41Å; I43-F133 HydrophobicContact CG2-CD1 4.21Å; I43-F133 HydrophobicContact CG2-CE1 3.87Å |
| 44 | Y | 88.6 | Confident | 85.6 | Confident | 60 Ų | 60 | 50.4 Ų | 50.4 | 24% | 0.235 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 177.3 | -57.3 | -67.2 | 0 | 0 | 0 | 111.6 | F33 L35 A39 P41 Q47 A48 | F33-Y44 HydrophobicContact CD1-CD1 4.1Å; F33-Y44 WeakPolarHBondContact O-CE1 3.42Å; L35-Y44 HydrophobicContact CD1-CE1 3.98Å; L35-Y44 HydrophobicContact CG-CE1 4.32Å; A39-Y44 HydrophobicContact CB-CE2 4.17Å; P41-Y44 PolarHBondContact O-N 3.27Å; Y44-Q47 PolarHBondContact O-N 3.27Å; Y44-A48 WeakPolarHBondContact O-CB 3.42Å; Y44-A48 PolarHBondContact O-N 3.29Å |
| 45 | V | 90.1 | Very high | 86.2 | Confident | 85 Ų | 85 | 49.6 Ų | 49.6 | 52% | 0.515 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.4 | -47.6 | 175.9 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | P41 I43 Q47 A48 V49 | P41-V45 WeakPolarHBondContact O-CG2 3.41Å; P41-V45 PolarHBondContact O-N 3.26Å; I43-V45 VanDerWaalsContact C-N 3.34Å; V45-Q47 VanDerWaalsContact C-N 3.34Å; V45-Q47 PolarHBondContact O-N 2.88Å; V45-A48 PolarHBondContact O-N 2.65Å; V45-V49 HydrophobicContact CG1-CG2 4.31Å; V45-V49 VanDerWaalsContact O-CG2 3.31Å; V45-V49 WeakPolarHBondContact O-CG2 3.41Å; V45-V49 PolarHBondContact O-N 2.68Å |
| 46 | N | 88.5 | Confident | 87.3 | Confident | 52 Ų | 52 | 53.9 Ų | 53.9 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 178.6 | -72.6 | -13 | 0 | 0 | 0 | 112 | Y42 I43 V49 L50 I134 | Y42-N46 VanDerWaalsContact O-CB 3.31Å; Y42-N46 WeakPolarHBondContact O-CB 3.49Å; Y42-N46 PolarHBondContact O-N 2.74Å; Y42-N46 PolarHBondContact O-ND2 2.8Å; Y42-N46 PolarHBondContact O-OD1 3.27Å; I43-N46 PolarHBondContact O-N 3.08Å; N46-V49 PolarHBondContact O-N 3.43Å; N46-L50 WeakPolarHBondContact O-CG 3.29Å; N46-L50 PolarHBondContact O-N 2.68Å; N46-I134 HydrophobicContact CB-CD1 3.75Å |
| 47 | Q | 89.9 | Confident | 88.5 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 2% | 0.023 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.5 | -71.7 | -178 | 26.1 | 0 | 0 | 112.3 | I43 Y44 V45 L50 F51 | I43-Q47 WeakPolarHBondContact O-CG 3.42Å; I43-Q47 PolarHBondContact O-N 3.07Å; Y44-Q47 PolarHBondContact O-N 3.27Å; V45-Q47 VanDerWaalsContact C-N 3.34Å; V45-Q47 PolarHBondContact O-N 2.88Å; Q47-L50 PolarHBondContact O-N 2.74Å; Q47-F51 VanDerWaalsContact O-CB 3.32Å; Q47-F51 WeakPolarHBondContact O-CB 3.39Å; Q47-F51 PolarHBondContact O-N 2.92Å |
| 48 | A | 90.8 | Very high | 89.4 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F33 Y44 V45 F51 L52 | F33-A48 HydrophobicContact CE1-CB 4.39Å; F33-A48 HydrophobicContact CZ-CB 4.4Å; Y44-A48 WeakPolarHBondContact O-CB 3.42Å; Y44-A48 PolarHBondContact O-N 3.29Å; V45-A48 PolarHBondContact O-N 2.65Å; A48-F51 PolarHBondContact O-N 3.11Å; A48-L52 WeakPolarHBondContact O-CG 3.35Å; A48-L52 PolarHBondContact O-N 2.77Å |
| 49 | V | 91.2 | Very high | 90.2 | Very high | 87 Ų | 87 | 45.3 Ų | 45.3 | 53% | 0.527 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.5 | -47.7 | 176 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | V45 N46 F51 L52 T53 | V45-V49 HydrophobicContact CG1-CG2 4.31Å; V45-V49 VanDerWaalsContact O-CG2 3.31Å; V45-V49 WeakPolarHBondContact O-CG2 3.41Å; V45-V49 PolarHBondContact O-N 2.68Å; N46-V49 PolarHBondContact O-N 3.43Å; V49-F51 VanDerWaalsContact C-N 3.31Å; V49-F51 PolarHBondContact O-N 2.64Å; V49-L52 PolarHBondContact O-N 3.49Å; V49-T53 PolarHBondContact O-N 3.2Å; V49-T53 PolarHBondContact O-OG1 3.39Å |
| 50 | L | 90.8 | Very high | 90.8 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 177.4 | -70.2 | 172.1 | 0 | 0 | 0 | 112.1 | N46 Q47 T53 V90 I134 Y193 V197 | N46-L50 WeakPolarHBondContact O-CG 3.29Å; N46-L50 PolarHBondContact O-N 2.68Å; Q47-L50 PolarHBondContact O-N 2.74Å; L50-T53 WeakPolarHBondContact O-CB 3.26Å; L50-T53 PolarHBondContact O-N 3.13Å; L50-T53 PolarHBondContact O-OG1 3.25Å; L50-V90 HydrophobicContact CD2-CG2 3.84Å; L50-I134 HydrophobicContact CD1-CG2 3.48Å; L50-I134 VanDerWaalsContact CD1-CG2 3.48Å; L50-Y193 HydrophobicContact CB-CE2 4.35Å; L50-V197 HydrophobicContact CB-CG2 4.11Å; L50-V197 HydrophobicContact CD1-CG1 4.35Å; L50-V197 HydrophobicContact CD1-CG2 4.03Å |
| 51 | F | 92.6 | Very high | 91 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 12% | 0.123 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.7 | -38.5 | 176.4 | -179.2 | -99.1 | 0 | 0 | 0 | 113.4 | L28 P31 Q47 A48 V49 P54 C189 I190 Y193 | L28-F51 WeakPolarHBondContact O-CE2 3.34Å; P31-F51 HydrophobicContact CG-CD2 3.76Å; P31-F51 HydrophobicContact CG-CE2 4.33Å; P31-F51 HydrophobicContact CG-CG 4.32Å; Q47-F51 VanDerWaalsContact O-CB 3.32Å; Q47-F51 WeakPolarHBondContact O-CB 3.39Å; Q47-F51 PolarHBondContact O-N 2.92Å; A48-F51 PolarHBondContact O-N 3.11Å; V49-F51 VanDerWaalsContact C-N 3.31Å; V49-F51 PolarHBondContact O-N 2.64Å; F51-P54 WeakPolarHBondContact O-CD 3.19Å; F51-C189 HydrophobicContact CD2-CB 4.5Å; F51-C189 HydrophobicContact CE1-CB 4.13Å; F51-C189 HydrophobicContact CE2-CB 4.06Å; F51-C189 HydrophobicContact CZ-CB 3.87Å; F51-C189 WeakPolarHBondContact O-CB 3.39Å; F51-I190 HydrophobicContact CE2-CG1 3.98Å; F51-I190 HydrophobicContact CZ-CG1 3.91Å; F51-Y193 HydrophobicContact CB-CD2 3.93Å; F51-Y193 HydrophobicContact CB-CE2 3.98Å; F51-Y193 AromaticContact CD2-CD2 3.89Å; F51-Y193 HydrophobicContact CD2-CD2 3.89Å; F51-Y193 HydrophobicContact CD2-CE2 4.5Å; F51-Y193 HydrophobicContact CD2-CG 4.17Å; F51-Y193 HydrophobicContact CG-CD2 4.43Å |
| 52 | L | 93.3 | Very high | 91.1 | Very high | 85 Ų | 85 | 41.7 Ų | 41.7 | 45% | 0.445 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -86.7 | -4.4 | -179.3 | -66.7 | 174.3 | 0 | 0 | 0 | 114 | A48 V49 W55 L56 | A48-L52 WeakPolarHBondContact O-CG 3.35Å; A48-L52 PolarHBondContact O-N 2.77Å; V49-L52 PolarHBondContact O-N 3.49Å; L52-W55 HydrophobicContact CD2-CE3 4.15Å; L52-W55 PolarHBondContact O-N 2.86Å; L52-L56 PolarHBondContact O-N 3.14Å |
| 53 | T | 92.8 | Very high | 91.3 | Very high | 21 Ų | 21 | 43.9 Ų | 43.9 | 13% | 0.129 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.5 | -44.3 | -177.1 | -63 | 0 | 0 | 0 | 0 | 113.1 | V49 L50 W55 L56 F57 M83 A86 | V49-T53 PolarHBondContact O-N 3.2Å; V49-T53 PolarHBondContact O-OG1 3.39Å; L50-T53 WeakPolarHBondContact O-CB 3.26Å; L50-T53 PolarHBondContact O-N 3.13Å; L50-T53 PolarHBondContact O-OG1 3.25Å; T53-W55 PolarHBondContact O-N 3.41Å; T53-L56 PolarHBondContact O-N 3.1Å; T53-F57 HydrophobicContact CG2-CD2 3.64Å; T53-F57 HydrophobicContact CG2-CE2 3.2Å; T53-F57 HydrophobicContact CG2-CZ 4.05Å; T53-F57 WeakPolarHBondContact O-CD2 3.36Å; T53-F57 PolarHBondContact O-N 3.39Å; T53-F57 VanDerWaalsContact O-N 3.1Å; T53-M83 HydrophobicContact CG2-CE 4.19Å; T53-M83 HydrophobicContact CG2-SD 3.91Å; T53-A86 HydrophobicContact CG2-CB 4.34Å |
| 54 | P | 93.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 174.9 | -27.9 | 37.8 | 0 | 0 | 0 | 113.8 | F51 G58 M83 E192 | F51-P54 WeakPolarHBondContact O-CD 3.19Å; P54-G58 PolarHBondContact O-N 2.86Å; P54-M83 HydrophobicContact CG-CE 4.08Å; P54-M83 HydrophobicContact CG-SD 4.24Å; P54-E192 VanDerWaalsContact CB-OE2 3.26Å; P54-E192 WeakPolarHBondContact CB-OE2 3.31Å; P54-E192 HydrophobicContact CG-CB 4.02Å; P54-E192 HydrophobicContact CG-CG 3.9Å; P54-E192 WeakPolarHBondContact CG-OE2 3.43Å |
| 55 | W | 94 | Very high | 91.5 | Very high | 81 Ų | 81 | 44 Ų | 44 | 31% | 0.307 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.6 | -41.4 | 176.4 | -170.2 | -12.2 | 0 | 0 | 0 | 110.7 | L52 T53 F57 G59 V182 W185 V186 | L52-W55 HydrophobicContact CD2-CE3 4.15Å; L52-W55 PolarHBondContact O-N 2.86Å; T53-W55 PolarHBondContact O-N 3.41Å; W55-F57 PolarHBondContact O-N 3.27Å; W55-G59 VanDerWaalsContact O-CA 3.27Å; W55-G59 WeakPolarHBondContact O-CA 3.48Å; W55-G59 PolarHBondContact O-N 3.37Å; W55-V182 HydrophobicContact CH2-CG1 3.99Å; W55-V182 HydrophobicContact CZ2-CG1 4.46Å; W55-W185 HydrophobicContact CB-CE3 4.23Å; W55-W185 HydrophobicContact CD2-CB 3.89Å; W55-W185 HydrophobicContact CD2-CG 4.35Å; W55-W185 HydrophobicContact CE3-CB 4.15Å; W55-W185 HydrophobicContact CG-CB 4.18Å; W55-W185 HydrophobicContact CG-CD2 4.35Å; W55-W185 HydrophobicContact CG-CE3 4.42Å; W55-W185 HydrophobicContact CG-CG 4.24Å; W55-V186 HydrophobicContact CZ3-CG2 4.11Å |
| 56 | L | 94.6 | Very high | 91.4 | Very high | 108 Ų | 108 | 45 Ų | 45 | 57% | 0.565 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -58.4 | -52.4 | 177.8 | -179.6 | 65.9 | 0 | 0 | 0 | 111.7 | L52 T53 G59 I60 | L52-L56 PolarHBondContact O-N 3.14Å; T53-L56 PolarHBondContact O-N 3.1Å; L56-G59 PolarHBondContact O-N 3.5Å; L56-I60 WeakPolarHBondContact O-CG1 3.38Å; L56-I60 PolarHBondContact O-N 3.16Å |
| 57 | F | 94.4 | Very high | 91.5 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 18% | 0.18 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.6 | -39.9 | -177.1 | -63 | -41.1 | 0 | 0 | 0 | 113.1 | T53 W55 G59 I60 G61 L82 M83 A86 | T53-F57 HydrophobicContact CG2-CD2 3.64Å; T53-F57 HydrophobicContact CG2-CE2 3.2Å; T53-F57 HydrophobicContact CG2-CZ 4.05Å; T53-F57 WeakPolarHBondContact O-CD2 3.36Å; T53-F57 PolarHBondContact O-N 3.39Å; T53-F57 VanDerWaalsContact O-N 3.1Å; W55-F57 PolarHBondContact O-N 3.27Å; F57-G59 VanDerWaalsContact C-N 3.34Å; F57-I60 HydrophobicContact CD1-CD1 4.34Å; F57-I60 PolarHBondContact O-N 3.2Å; F57-G61 PolarHBondContact O-N 3.37Å; F57-L82 HydrophobicContact CB-CB 4.02Å; F57-L82 HydrophobicContact CB-CD1 4.4Å; F57-L82 HydrophobicContact CD1-CB 3.92Å; F57-L82 HydrophobicContact CD1-CD1 4.08Å; F57-L82 HydrophobicContact CD2-CB 4.24Å; F57-L82 HydrophobicContact CE1-CB 4.46Å; F57-L82 HydrophobicContact CG-CB 3.81Å; F57-L82 HydrophobicContact CG-CD1 4.49Å; F57-M83 HydrophobicContact CD2-CB 4.41Å; F57-M83 HydrophobicContact CD2-SD 3.75Å; F57-M83 HydrophobicContact CE2-SD 4.27Å; F57-A86 HydrophobicContact CE2-CB 3.54Å; F57-A86 HydrophobicContact CZ-CB 4.17Å |
| 58 | G | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62 | -42 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P54 I60 G61 T62 W185 | P54-G58 PolarHBondContact O-N 2.86Å; G58-I60 PolarHBondContact O-N 3.42Å; G58-G61 CarbonylContact O-C 3.54Å; G58-G61 WeakPolarHBondContact O-CA 3.3Å; G58-G61 PolarHBondContact O-N 3.23Å; G58-G61 VanDerWaalsContact O-N 3.1Å; G58-T62 WeakPolarHBondContact O-CG2 3.5Å; G58-T62 PolarHBondContact O-N 2.96Å; G58-W185 VanDerWaalsContact CA-CH2 3.41Å |
| 59 | G | 90.9 | Very high | 91.2 | Very high | 20 Ų | 20 | 60.4 Ų | 60.4 | 21% | 0.206 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W55 L56 F57 G61 T62 L63 | W55-G59 VanDerWaalsContact O-CA 3.27Å; W55-G59 WeakPolarHBondContact O-CA 3.48Å; W55-G59 PolarHBondContact O-N 3.37Å; L56-G59 PolarHBondContact O-N 3.5Å; F57-G59 VanDerWaalsContact C-N 3.34Å; G59-G61 VanDerWaalsContact C-N 3.32Å; G59-G61 PolarHBondContact O-N 3.1Å; G59-T62 WeakPolarHBondContact CA-OG1 3.4Å; G59-T62 PolarHBondContact O-N 3.49Å; G59-T62 PolarHBondContact O-OG1 3.47Å; G59-L63 WeakPolarHBondContact O-CB 3.41Å; G59-L63 PolarHBondContact O-N 3.44Å |
| 60 | I | 92.6 | Very high | 91 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 36% | 0.359 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.7 | -46.9 | 172.9 | -68.3 | 163.5 | 0 | 0 | 0 | 110.6 | L56 F57 G58 L63 L64 | L56-I60 WeakPolarHBondContact O-CG1 3.38Å; L56-I60 PolarHBondContact O-N 3.16Å; F57-I60 HydrophobicContact CD1-CD1 4.34Å; F57-I60 PolarHBondContact O-N 3.2Å; G58-I60 PolarHBondContact O-N 3.42Å; I60-L63 PolarHBondContact O-N 2.95Å; I60-L64 HydrophobicContact CG2-CD1 3.91Å; I60-L64 HydrophobicContact CG2-CG 4.48Å; I60-L64 VanDerWaalsContact O-CG 3.28Å; I60-L64 WeakPolarHBondContact O-CG 3.49Å; I60-L64 PolarHBondContact O-N 3.48Å |
| 61 | G | 90.4 | Very high | 91 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.3 | -49.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F57 G58 G59 L63 L64 C65 A75 | F57-G61 PolarHBondContact O-N 3.37Å; G58-G61 CarbonylContact O-C 3.54Å; G58-G61 WeakPolarHBondContact O-CA 3.3Å; G58-G61 PolarHBondContact O-N 3.23Å; G58-G61 VanDerWaalsContact O-N 3.1Å; G59-G61 VanDerWaalsContact C-N 3.32Å; G59-G61 PolarHBondContact O-N 3.1Å; G61-L63 PolarHBondContact O-N 3.12Å; G61-L64 PolarHBondContact O-N 3.34Å; G61-C65 WeakPolarHBondContact O-CB 3.43Å; G61-C65 PolarHBondContact O-N 3.2Å; G61-A75 WeakPolarHBondContact O-CB 3.47Å |
| 62 | T | 90.3 | Very high | 90.8 | Very high | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.043 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 179.5 | 62.3 | 0 | 0 | 0 | 0 | 113.1 | G58 G59 C65 Q66 T159 L163 F181 W185 | G58-T62 WeakPolarHBondContact O-CG2 3.5Å; G58-T62 PolarHBondContact O-N 2.96Å; G59-T62 WeakPolarHBondContact CA-OG1 3.4Å; G59-T62 PolarHBondContact O-N 3.49Å; G59-T62 PolarHBondContact O-OG1 3.47Å; T62-C65 WeakPolarHBondContact O-CB 3.34Å; T62-C65 PolarHBondContact O-N 3.04Å; T62-Q66 WeakPolarHBondContact O-CG 3.5Å; T62-Q66 PolarHBondContact O-N 2.88Å; T62-T159 HydrophobicContact CG2-CG2 3.78Å; T62-L163 HydrophobicContact CG2-CD2 4.16Å; T62-F181 HydrophobicContact CG2-CE2 4.2Å; T62-W185 HydrophobicContact CG2-CZ2 4.09Å |
| 63 | L | 90.4 | Very high | 90.6 | Very high | 94 Ų | 94 | 66.4 Ų | 66.4 | 49% | 0.492 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 179.2 | -178.1 | 123.4 | 0 | 0 | 0 | 111.3 | G59 I60 G61 C65 Q66 L67 | G59-L63 WeakPolarHBondContact O-CB 3.41Å; G59-L63 PolarHBondContact O-N 3.44Å; I60-L63 PolarHBondContact O-N 2.95Å; G61-L63 PolarHBondContact O-N 3.12Å; L63-C65 VanDerWaalsContact C-N 3.25Å; L63-C65 PolarHBondContact O-N 3.46Å; L63-Q66 PolarHBondContact O-N 3.04Å; L63-Q66 VanDerWaalsContact O-N 3.17Å; L63-L67 HydrophobicContact CD2-CD1 3.69Å; L63-L67 HydrophobicContact CG-CD1 4.09Å; L63-L67 WeakPolarHBondContact O-CB 3.35Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.38Å; L63-L67 PolarHBondContact O-N 3.44Å |
| 64 | L | 91.2 | Very high | 90.5 | Very high | 39 Ų | 39 | 72.1 Ų | 72.1 | 20% | 0.204 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.8 | -34.6 | 176.1 | -68.4 | 172.6 | 0 | 0 | 0 | 112.1 | I60 G61 Q68 L69 L70 L78 | I60-L64 HydrophobicContact CG2-CD1 3.91Å; I60-L64 HydrophobicContact CG2-CG 4.48Å; I60-L64 VanDerWaalsContact O-CG 3.28Å; I60-L64 WeakPolarHBondContact O-CG 3.49Å; I60-L64 PolarHBondContact O-N 3.48Å; G61-L64 PolarHBondContact O-N 3.34Å; L64-Q68 PolarHBondContact O-N 3.36Å; L64-L69 HydrophobicContact CD2-CB 4.46Å; L64-L69 HydrophobicContact CD2-CD1 3.78Å; L64-L69 PolarHBondContact O-N 3.12Å; L64-L70 HydrophobicContact CB-CB 4.46Å; L64-L70 HydrophobicContact CB-CD1 3.79Å; L64-L70 HydrophobicContact CD1-CD1 3.68Å; L64-L70 HydrophobicContact CG-CD1 4.26Å; L64-L70 PolarHBondContact O-N 2.93Å; L64-L78 HydrophobicContact CD1-CD2 3.78Å |
| 65 | C | 88.5 | Confident | 90.4 | Very high | 24 Ų | 24 | 72 Ų | 72 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 173 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | G61 T62 L63 L67 Q68 A75 L163 | G61-C65 WeakPolarHBondContact O-CB 3.43Å; G61-C65 PolarHBondContact O-N 3.2Å; T62-C65 WeakPolarHBondContact O-CB 3.34Å; T62-C65 PolarHBondContact O-N 3.04Å; L63-C65 VanDerWaalsContact C-N 3.25Å; L63-C65 PolarHBondContact O-N 3.46Å; C65-L67 VanDerWaalsContact C-N 3.35Å; C65-Q68 PolarHBondContact O-N 3.48Å; C65-Q68 VanDerWaalsContact O-N 3.13Å; C65-A75 HydrophobicContact CB-CB 3.95Å; C65-L163 HydrophobicContact CB-CD2 4.31Å |
| 66 | Q | 87.3 | Confident | 90.4 | Very high | 107 Ų | 107 | 68.4 Ų | 68.4 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.6 | -34 | 178 | -75.2 | 177.6 | 0.6 | 0 | 0 | 112.9 | T62 L63 Q68 L164 | T62-Q66 WeakPolarHBondContact O-CG 3.5Å; T62-Q66 PolarHBondContact O-N 2.88Å; L63-Q66 PolarHBondContact O-N 3.04Å; L63-Q66 VanDerWaalsContact O-N 3.17Å; Q66-Q68 PolarHBondContact O-N 3.18Å; Q66-L164 VanDerWaalsContact NE2-CD2 3.29Å |
| 67 | L | 89.4 | Confident | 90.4 | Very high | 106 Ų | 106 | 67.3 Ų | 67.3 | 56% | 0.555 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 4.2 | 173.6 | -66.4 | 174.2 | 0 | 0 | 0 | 113.2 | L63 C65 L69 | L63-L67 HydrophobicContact CD2-CD1 3.69Å; L63-L67 HydrophobicContact CG-CD1 4.09Å; L63-L67 WeakPolarHBondContact O-CB 3.35Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.38Å; L63-L67 PolarHBondContact O-N 3.44Å; C65-L67 VanDerWaalsContact C-N 3.35Å; L67-L69 HydrophobicContact CB-CD1 3.96Å; L67-L69 HydrophobicContact CB-CG 4.01Å; L67-L69 HydrophobicContact CD1-CD1 4.21Å; L67-L69 PolarHBondContact O-N 3.36Å; L67-L69 VanDerWaalsContact O-N 3.14Å |
| 68 | Q | 86.1 | Confident | 90.4 | Very high | 182 Ų | 182 | 68.3 Ų | 68.3 | 85% | 0.85 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 21.5 | -178.3 | -56.4 | -179.2 | -10.6 | 0 | 0 | 114.1 | L64 C65 Q66 | L64-Q68 PolarHBondContact O-N 3.36Å; C65-Q68 PolarHBondContact O-N 3.48Å; C65-Q68 VanDerWaalsContact O-N 3.13Å; Q66-Q68 PolarHBondContact O-N 3.18Å |
| 69 | L | 88.6 | Confident | 90.6 | Very high | 123 Ų | 123 | 68.3 Ų | 68.3 | 64% | 0.644 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -82.6 | -25.3 | 178.7 | -66.2 | 171.2 | 0 | 0 | 0 | 112.2 | L64 L67 | L64-L69 HydrophobicContact CD2-CB 4.46Å; L64-L69 HydrophobicContact CD2-CD1 3.78Å; L64-L69 PolarHBondContact O-N 3.12Å; L67-L69 HydrophobicContact CB-CD1 3.96Å; L67-L69 HydrophobicContact CB-CG 4.01Å; L67-L69 HydrophobicContact CD1-CD1 4.21Å; L67-L69 PolarHBondContact O-N 3.36Å; L67-L69 VanDerWaalsContact O-N 3.14Å |
| 70 | L | 87.8 | Confident | 90.8 | Very high | 56 Ų | 56 | 67.7 Ų | 67.7 | 29% | 0.293 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -138 | 144 | -179.6 | -88.9 | 137.9 | 0 | 0 | 0 | 110.2 | L64 Y74 A75 L78 | L64-L70 HydrophobicContact CB-CB 4.46Å; L64-L70 HydrophobicContact CB-CD1 3.79Å; L64-L70 HydrophobicContact CD1-CD1 3.68Å; L64-L70 HydrophobicContact CG-CD1 4.26Å; L64-L70 PolarHBondContact O-N 2.93Å; L70-Y74 VanDerWaalsContact CD2-CB 3.44Å; L70-Y74 HydrophobicContact CD2-CG 4.49Å; L70-A75 HydrophobicContact CB-CB 4.46Å; L70-L78 HydrophobicContact CD1-CD2 4.25Å |
| 71 | Q | 90.1 | Very high | 91 | Very high | 138 Ų | 138 | 70 Ų | 70 | 65% | 0.645 | 35% | 0.35 | S | S | * | . | trans | -73 | 156.4 | 170.4 | -56.2 | 177.1 | -21.6 | 0 | 0 | 110.4 | L73 Y74 A75 | Q71-L73 VanDerWaalsContact C-N 3.29Å; Q71-L73 PolarHBondContact O-N 3.1Å; Q71-L73 VanDerWaalsContact O-N 3.17Å; Q71-Y74 HydrophobicContact CB-CD2 3.93Å; Q71-Y74 HydrophobicContact CG-CD2 4.34Å; Q71-Y74 PolarHBondContact O-N 3.49Å; Q71-A75 PolarHBondContact O-N 3.48Å | ||
| 72 | E | 88.6 | Confident | 91.2 | Very high | 85 Ų | 85 | 72.9 Ų | 72.9 | 40% | 0.397 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -48.9 | -45.9 | -175.4 | -61 | -172.2 | 179.2 | 0 | 0 | 113.8 | A75 A76 L163 R234 | E72-A75 PolarHBondContact O-N 3.44Å; E72-A76 PolarHBondContact O-N 3.07Å; E72-A76 VanDerWaalsContact O-N 3.12Å; E72-L163 HydrophobicContact CB-CD1 3.65Å; E72-L163 HydrophobicContact CG-CD1 3.71Å; E72-R234 IonicContact OE2-NH1 3.56Å |
| 73 | L | 89.1 | Confident | 91.5 | Very high | 89 Ų | 89 | 72.7 Ų | 72.7 | 47% | 0.466 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67 | -43.4 | -178.7 | -169.3 | 75.8 | 0 | 0 | 0 | 111.9 | Q71 A75 A76 V77 W160 | Q71-L73 VanDerWaalsContact C-N 3.29Å; Q71-L73 PolarHBondContact O-N 3.1Å; Q71-L73 VanDerWaalsContact O-N 3.17Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.41Å; L73-A76 PolarHBondContact O-N 3.4Å; L73-V77 WeakPolarHBondContact O-CG2 3.32Å; L73-V77 PolarHBondContact O-N 3.46Å; L73-W160 HydrophobicContact CD1-CE3 4.26Å; L73-W160 HydrophobicContact CD1-CH2 3.7Å; L73-W160 HydrophobicContact CD1-CZ2 4.03Å; L73-W160 HydrophobicContact CD1-CZ3 3.82Å |
| 74 | Y | 91.5 | Very high | 91.8 | Very high | 141 Ų | 141 | 72 Ų | 72 | 55% | 0.553 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.1 | -33 | 179 | -65.4 | -64.4 | 0 | 0 | 0 | 111.9 | L70 Q71 V77 L78 | L70-Y74 VanDerWaalsContact CD2-CB 3.44Å; L70-Y74 HydrophobicContact CD2-CG 4.49Å; Q71-Y74 HydrophobicContact CB-CD2 3.93Å; Q71-Y74 HydrophobicContact CG-CD2 4.34Å; Q71-Y74 PolarHBondContact O-N 3.49Å; Y74-V77 PolarHBondContact O-N 3.44Å; Y74-L78 WeakPolarHBondContact O-CB 3.28Å; Y74-L78 PolarHBondContact O-N 3.08Å |
| 75 | A | 91.8 | Very high | 92 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.5 | -42 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G61 C65 L70 Q71 E72 L73 L78 S79 | G61-A75 WeakPolarHBondContact O-CB 3.47Å; C65-A75 HydrophobicContact CB-CB 3.95Å; L70-A75 HydrophobicContact CB-CB 4.46Å; Q71-A75 PolarHBondContact O-N 3.48Å; E72-A75 PolarHBondContact O-N 3.44Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.41Å; A75-L78 PolarHBondContact O-N 2.65Å; A75-S79 PolarHBondContact O-N 3.44Å; A75-S79 VanDerWaalsContact O-N 3.11Å; A75-S79 PolarHBondContact O-OG 2.98Å |
| 76 | A | 92.9 | Very high | 92.2 | Very high | 6 Ų | 6 | 73.3 Ų | 73.3 | 5% | 0.05 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E72 L73 S79 G80 G156 W160 | E72-A76 PolarHBondContact O-N 3.07Å; E72-A76 VanDerWaalsContact O-N 3.12Å; L73-A76 PolarHBondContact O-N 3.4Å; A76-S79 PolarHBondContact O-OG 3Å; A76-G80 PolarHBondContact O-N 2.88Å; A76-G80 VanDerWaalsContact O-N 3.11Å; A76-G156 WeakPolarHBondContact CB-O 3.37Å; A76-G156 WeakPolarHBondContact O-CA 3.4Å; A76-W160 HydrophobicContact CB-CB 3.87Å; A76-W160 HydrophobicContact CB-CG 4.35Å |
| 77 | V | 94.9 | Very high | 92.5 | Very high | 85 Ų | 85 | 68.2 Ų | 68.2 | 52% | 0.515 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 175.4 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | L73 Y74 G80 M81 | L73-V77 WeakPolarHBondContact O-CG2 3.32Å; L73-V77 PolarHBondContact O-N 3.46Å; Y74-V77 PolarHBondContact O-N 3.44Å; V77-G80 PolarHBondContact O-N 3.16Å; V77-M81 HydrophobicContact CG1-CG 4.36Å; V77-M81 WeakPolarHBondContact O-CG 3.49Å; V77-M81 PolarHBondContact O-N 3.3Å |
| 78 | L | 94.8 | Very high | 92.6 | Very high | 62 Ų | 62 | 65.1 Ų | 65.1 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -47.4 | 178.2 | 179 | 63.8 | 0 | 0 | 0 | 111.9 | L64 L70 Y74 A75 G80 M81 L82 | L64-L78 HydrophobicContact CD1-CD2 3.78Å; L70-L78 HydrophobicContact CD1-CD2 4.25Å; Y74-L78 WeakPolarHBondContact O-CB 3.28Å; Y74-L78 PolarHBondContact O-N 3.08Å; A75-L78 PolarHBondContact O-N 2.65Å; L78-G80 VanDerWaalsContact C-N 3.33Å; L78-G80 PolarHBondContact O-N 3.5Å; L78-M81 PolarHBondContact O-N 3.29Å; L78-L82 HydrophobicContact CD1-CD1 4.37Å; L78-L82 HydrophobicContact CD1-CG 4.39Å; L78-L82 HydrophobicContact CG-CD1 4.22Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 3.16Å |
| 79 | S | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 178.4 | 58 | 0 | 0 | 0 | 0 | 111.8 | A75 A76 M81 L82 M83 T159 | A75-S79 PolarHBondContact O-N 3.44Å; A75-S79 VanDerWaalsContact O-N 3.11Å; A75-S79 PolarHBondContact O-OG 2.98Å; A76-S79 PolarHBondContact O-OG 3Å; S79-M81 PolarHBondContact O-N 3.47Å; S79-L82 PolarHBondContact O-N 3.09Å; S79-M83 WeakPolarHBondContact O-CB 3.39Å; S79-M83 PolarHBondContact O-N 3.35Å; S79-T159 WeakPolarHBondContact CB-OG1 3.49Å; S79-T159 WeakPolarHBondContact OG-CB 3.37Å; S79-T159 PolarHBondContact OG-OG1 2.93Å |
| 80 | G | 95.7 | Very high | 93 | Very high | 8 Ų | 8 | 53.8 Ų | 53.8 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A76 V77 L78 M83 F84 G152 | A76-G80 PolarHBondContact O-N 2.88Å; A76-G80 VanDerWaalsContact O-N 3.11Å; V77-G80 PolarHBondContact O-N 3.16Å; L78-G80 VanDerWaalsContact C-N 3.33Å; L78-G80 PolarHBondContact O-N 3.5Å; G80-M83 PolarHBondContact O-N 3.45Å; G80-F84 WeakPolarHBondContact O-CB 3.49Å; G80-F84 PolarHBondContact O-N 3.4Å; G80-G152 WeakPolarHBondContact CA-O 3.41Å; G80-G152 WeakPolarHBondContact O-CA 3.34Å |
| 81 | M | 96.3 | Very high | 93 | Very high | 118 Ų | 118 | 51.7 Ų | 51.7 | 58% | 0.581 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -67.1 | -41.9 | 177.1 | -73.9 | -59.9 | -62 | 0 | 0 | 112.8 | V77 L78 S79 M83 F84 A85 | V77-M81 HydrophobicContact CG1-CG 4.36Å; V77-M81 WeakPolarHBondContact O-CG 3.49Å; V77-M81 PolarHBondContact O-N 3.3Å; L78-M81 PolarHBondContact O-N 3.29Å; S79-M81 PolarHBondContact O-N 3.47Å; M81-M83 VanDerWaalsContact C-N 3.3Å; M81-M83 PolarHBondContact O-N 3.33Å; M81-F84 PolarHBondContact O-N 2.95Å; M81-A85 PolarHBondContact O-N 3.33Å; M81-A85 VanDerWaalsContact O-N 3.09Å |
| 82 | L | 96.1 | Very high | 93 | Very high | 60 Ų | 60 | 48 Ų | 48 | 31% | 0.314 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 175.1 | -71.9 | 172.3 | 0 | 0 | 0 | 110.9 | F57 L78 S79 A85 A86 | F57-L82 HydrophobicContact CB-CB 4.02Å; F57-L82 HydrophobicContact CB-CD1 4.4Å; F57-L82 HydrophobicContact CD1-CB 3.92Å; F57-L82 HydrophobicContact CD1-CD1 4.08Å; F57-L82 HydrophobicContact CD2-CB 4.24Å; F57-L82 HydrophobicContact CE1-CB 4.46Å; F57-L82 HydrophobicContact CG-CB 3.81Å; F57-L82 HydrophobicContact CG-CD1 4.49Å; L78-L82 HydrophobicContact CD1-CD1 4.37Å; L78-L82 HydrophobicContact CD1-CG 4.39Å; L78-L82 HydrophobicContact CG-CD1 4.22Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 3.16Å; S79-L82 PolarHBondContact O-N 3.09Å; L82-A85 PolarHBondContact O-N 2.97Å; L82-A86 PolarHBondContact O-N 3.24Å |
| 83 | M | 95.7 | Very high | 93 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.2 | -39.8 | -179.6 | -166.4 | 61.6 | -151.4 | 0 | 0 | 113 | T53 P54 F57 S79 G80 M81 A85 A86 A87 C155 E192 I196 | T53-M83 HydrophobicContact CG2-CE 4.19Å; T53-M83 HydrophobicContact CG2-SD 3.91Å; P54-M83 HydrophobicContact CG-CE 4.08Å; P54-M83 HydrophobicContact CG-SD 4.24Å; F57-M83 HydrophobicContact CD2-CB 4.41Å; F57-M83 HydrophobicContact CD2-SD 3.75Å; F57-M83 HydrophobicContact CE2-SD 4.27Å; S79-M83 WeakPolarHBondContact O-CB 3.39Å; S79-M83 PolarHBondContact O-N 3.35Å; G80-M83 PolarHBondContact O-N 3.45Å; M81-M83 VanDerWaalsContact C-N 3.3Å; M81-M83 PolarHBondContact O-N 3.33Å; M83-A85 VanDerWaalsContact C-N 3.32Å; M83-A85 PolarHBondContact O-N 3.47Å; M83-A86 PolarHBondContact O-N 3.38Å; M83-A87 WeakPolarHBondContact O-CB 3.14Å; M83-A87 PolarHBondContact O-N 3.43Å; M83-C155 HydrophobicContact CB-CB 3.67Å; M83-C155 HydrophobicContact CG-CB 3.62Å; M83-E192 HydrophobicContact CE-CG 4.49Å; M83-E192 VanDerWaalsContact CE-OE1 3.22Å; M83-E192 WeakPolarHBondContact CE-OE1 3.46Å; M83-E192 WeakPolarHBondContact CG-OE1 3.33Å; M83-I196 HydrophobicContact CE-CD1 3.01Å |
| 84 | F | 95.8 | Very high | 92.8 | Very high | 80 Ų | 80 | 43.7 Ų | 43.7 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.7 | -46.5 | 171.8 | 174.7 | -98.8 | 0 | 0 | 0 | 111.6 | G80 M81 A86 A87 A88 V149 | G80-F84 WeakPolarHBondContact O-CB 3.49Å; G80-F84 PolarHBondContact O-N 3.4Å; M81-F84 PolarHBondContact O-N 2.95Å; F84-A86 VanDerWaalsContact C-N 3.35Å; F84-A86 PolarHBondContact O-N 3.33Å; F84-A87 PolarHBondContact O-N 2.97Å; F84-A88 VanDerWaalsContact O-CB 3.3Å; F84-A88 WeakPolarHBondContact O-CB 3.49Å; F84-A88 PolarHBondContact O-N 3.42Å; F84-V149 HydrophobicContact CE2-CG2 3.93Å |
| 85 | A | 95.6 | Very high | 92.4 | Very high | 61 Ų | 61 | 41.4 Ų | 41.4 | 50% | 0.504 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M81 L82 M83 G89 | M81-A85 PolarHBondContact O-N 3.33Å; M81-A85 VanDerWaalsContact O-N 3.09Å; L82-A85 PolarHBondContact O-N 2.97Å; M83-A85 VanDerWaalsContact C-N 3.32Å; M83-A85 PolarHBondContact O-N 3.47Å; A85-G89 PolarHBondContact O-N 3.16Å |
| 86 | A | 93.7 | Very high | 92 | Very high | 28 Ų | 28 | 45.4 Ų | 45.4 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.2 | -46.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T53 F57 L82 M83 F84 A88 G89 V90 | T53-A86 HydrophobicContact CG2-CB 4.34Å; F57-A86 HydrophobicContact CE2-CB 3.54Å; F57-A86 HydrophobicContact CZ-CB 4.17Å; L82-A86 PolarHBondContact O-N 3.24Å; M83-A86 PolarHBondContact O-N 3.38Å; F84-A86 VanDerWaalsContact C-N 3.35Å; F84-A86 PolarHBondContact O-N 3.33Å; A86-A88 VanDerWaalsContact C-N 3.35Å; A86-A88 PolarHBondContact O-N 3.46Å; A86-G89 PolarHBondContact O-N 2.86Å; A86-G89 VanDerWaalsContact O-N 3.15Å; A86-V90 WeakPolarHBondContact O-CG2 3.48Å; A86-V90 PolarHBondContact O-N 3.39Å |
| 87 | A | 92.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | M83 F84 G89 V90 Q91 T148 A151 I196 | M83-A87 WeakPolarHBondContact O-CB 3.14Å; M83-A87 PolarHBondContact O-N 3.43Å; F84-A87 PolarHBondContact O-N 2.97Å; A87-G89 VanDerWaalsContact C-N 3.32Å; A87-G89 PolarHBondContact O-N 3.39Å; A87-V90 PolarHBondContact O-N 2.97Å; A87-Q91 WeakPolarHBondContact O-CG 3.46Å; A87-Q91 PolarHBondContact O-N 3.14Å; A87-T148 HydrophobicContact CB-CG2 4.2Å; A87-A151 HydrophobicContact CB-CB 4.16Å; A87-I196 HydrophobicContact CB-CD1 3.99Å; A87-I196 HydrophobicContact CB-CG1 4.07Å |
| 88 | A | 92.8 | Very high | 90.5 | Very high | 40 Ų | 40 | 45 Ų | 45 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F84 A86 A92 | F84-A88 VanDerWaalsContact O-CB 3.3Å; F84-A88 WeakPolarHBondContact O-CB 3.49Å; F84-A88 PolarHBondContact O-N 3.42Å; A86-A88 VanDerWaalsContact C-N 3.35Å; A86-A88 PolarHBondContact O-N 3.46Å; A88-A92 VanDerWaalsContact O-CB 3.24Å; A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 3.37Å |
| 89 | G | 92.3 | Very high | 89.6 | Confident | 41 Ų | 41 | 51 Ų | 51 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A85 A86 A87 A92 L93 | A85-G89 PolarHBondContact O-N 3.16Å; A86-G89 PolarHBondContact O-N 2.86Å; A86-G89 VanDerWaalsContact O-N 3.15Å; A87-G89 VanDerWaalsContact C-N 3.32Å; A87-G89 PolarHBondContact O-N 3.39Å; G89-A92 PolarHBondContact O-N 2.98Å; G89-L93 WeakPolarHBondContact O-CB 3.32Å; G89-L93 PolarHBondContact O-N 3.21Å |
| 90 | V | 89.9 | Confident | 88.6 | Confident | 27 Ų | 27 | 59.7 Ų | 59.7 | 16% | 0.164 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 177.5 | 175 | 0 | 0 | 0 | 0 | 111.2 | L50 A86 A87 L93 A94 A135 I196 | L50-V90 HydrophobicContact CD2-CG2 3.84Å; A86-V90 WeakPolarHBondContact O-CG2 3.48Å; A86-V90 PolarHBondContact O-N 3.39Å; A87-V90 PolarHBondContact O-N 2.97Å; V90-L93 WeakPolarHBondContact O-CB 3.3Å; V90-L93 PolarHBondContact O-N 3.42Å; V90-A94 PolarHBondContact O-N 2.99Å; V90-A135 HydrophobicContact CG1-CB 3.79Å; V90-I196 HydrophobicContact CB-CG2 4.03Å; V90-I196 HydrophobicContact CG1-CG2 3.9Å; V90-I196 HydrophobicContact CG2-CG2 4.34Å |
| 91 | Q | 89 | Confident | 87 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.056 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.6 | -36.6 | 178.3 | -69.7 | -65.1 | -31.9 | 0 | 0 | 112.6 | A87 L93 A94 L95 V144 T148 I196 | A87-Q91 WeakPolarHBondContact O-CG 3.46Å; A87-Q91 PolarHBondContact O-N 3.14Å; Q91-L93 VanDerWaalsContact C-N 3.32Å; Q91-L93 PolarHBondContact O-N 3.17Å; Q91-A94 PolarHBondContact O-N 3.41Å; Q91-L95 WeakPolarHBondContact O-CB 3.31Å; Q91-L95 PolarHBondContact O-N 3.21Å; Q91-V144 HydrophobicContact CB-CG1 3.97Å; Q91-V144 HydrophobicContact CG-CG1 4.19Å; Q91-T148 HydrophobicContact CB-CG2 4.19Å; Q91-T148 HydrophobicContact CG-CG2 3.65Å; Q91-I196 PolarHBondContact NE2-O 3.4Å |
| 92 | A | 88.8 | Confident | 84.7 | Confident | 60 Ų | 60 | 59.3 Ų | 59.3 | 50% | 0.496 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A88 G89 L95 H96 | A88-A92 VanDerWaalsContact O-CB 3.24Å; A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 3.37Å; G89-A92 PolarHBondContact O-N 2.98Å; A92-L95 PolarHBondContact O-N 3.16Å; A92-H96 WeakPolarHBondContact O-CB 3.45Å; A92-H96 PolarHBondContact O-N 3.12Å |
| 93 | L | 88 | Confident | 82.1 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 41% | 0.414 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 174.7 | -174.2 | 64.7 | 0 | 0 | 0 | 111.7 | G89 V90 Q91 L95 H96 A97 V126 V131 | G89-L93 WeakPolarHBondContact O-CB 3.32Å; G89-L93 PolarHBondContact O-N 3.21Å; V90-L93 WeakPolarHBondContact O-CB 3.3Å; V90-L93 PolarHBondContact O-N 3.42Å; Q91-L93 VanDerWaalsContact C-N 3.32Å; Q91-L93 PolarHBondContact O-N 3.17Å; L93-L95 PolarHBondContact O-N 3.43Å; L93-H96 PolarHBondContact O-N 3.38Å; L93-A97 WeakPolarHBondContact O-CB 3.48Å; L93-A97 PolarHBondContact O-N 3.33Å; L93-V126 HydrophobicContact CD1-CG1 4.24Å; L93-V131 HydrophobicContact CD2-CG1 4.46Å; L93-V131 HydrophobicContact CD2-CG2 4.2Å; L93-V131 HydrophobicContact CG-CG1 4.05Å; L93-V131 HydrophobicContact CG-CG2 4.21Å |
| 94 | A | 85.3 | Confident | 79.4 | Confident | 5 Ų | 5 | 68 Ų | 68 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V90 Q91 A97 A98 V131 A135 | V90-A94 PolarHBondContact O-N 2.99Å; Q91-A94 PolarHBondContact O-N 3.41Å; A94-A97 PolarHBondContact O-N 3.17Å; A94-A98 WeakPolarHBondContact O-CB 3.36Å; A94-A98 PolarHBondContact O-N 3.26Å; A94-V131 HydrophobicContact CB-CG1 4.46Å; A94-A135 WeakPolarHBondContact CB-O 3.41Å |
| 95 | L | 83.4 | Confident | 76.5 | Confident | 93 Ų | 93 | 67.8 Ų | 67.8 | 49% | 0.487 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 175.7 | -169.7 | 76.3 | 0 | 0 | 0 | 112 | Q91 A92 L93 A98 R99 | Q91-L95 WeakPolarHBondContact O-CB 3.31Å; Q91-L95 PolarHBondContact O-N 3.21Å; A92-L95 PolarHBondContact O-N 3.16Å; L93-L95 PolarHBondContact O-N 3.43Å; L95-A98 PolarHBondContact O-N 2.62Å; L95-R99 WeakPolarHBondContact O-CG 3.18Å; L95-R99 PolarHBondContact O-N 3.01Å; L95-R99 VanDerWaalsContact O-N 3.09Å |
| 96 | H | 84.1 | Confident | 73.4 | Confident | 84 Ų | 84 | 72 Ų | 72 | 39% | 0.389 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | 177.8 | -173.8 | 69.7 | 0 | 0 | 0 | 112.3 | A92 L93 R99 R100 | A92-H96 WeakPolarHBondContact O-CB 3.45Å; A92-H96 PolarHBondContact O-N 3.12Å; L93-H96 PolarHBondContact O-N 3.38Å; H96-R99 PolarHBondContact O-N 3.42Å; H96-R100 VanDerWaalsContact NE2-CZ 3.29Å; H96-R100 PolarHBondContact NE2-NE 3.47Å; H96-R100 PolarHBondContact NE2-NH2 3.26Å; H96-R100 PolarHBondContact O-N 3.17Å; H96-R100 VanDerWaalsContact O-N 3.16Å |
| 97 | A | 80.4 | Confident | 70.5 | Confident | 9 Ų | 9 | 82.6 Ų | 82.6 | 7% | 0.074 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61 | -46.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L93 A94 R99 R100 S101 P128 V131 | L93-A97 WeakPolarHBondContact O-CB 3.48Å; L93-A97 PolarHBondContact O-N 3.33Å; A94-A97 PolarHBondContact O-N 3.17Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 3.21Å; A97-R100 PolarHBondContact O-N 3.34Å; A97-S101 PolarHBondContact O-N 2.68Å; A97-P128 HydrophobicContact CB-CB 4.36Å; A97-V131 HydrophobicContact CB-CB 3.84Å; A97-V131 HydrophobicContact CB-CG1 3.7Å |
| 98 | A | 75.4 | Confident | 67.6 | Low | 72 Ų | 72 | 87.8 Ų | 87.8 | 60% | 0.595 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.1 | -39 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A94 L95 | A94-A98 WeakPolarHBondContact O-CB 3.36Å; A94-A98 PolarHBondContact O-N 3.26Å; L95-A98 PolarHBondContact O-N 2.62Å |
| 99 | R | 76.4 | Confident | 64.6 | Low | 189 Ų | 189 | 88.7 Ų | 88.7 | 71% | 0.713 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.6 | -33.3 | 177.7 | -73.3 | 174.5 | -178.8 | -177.7 | 0.3 | 113.6 | L95 H96 A97 | L95-R99 WeakPolarHBondContact O-CG 3.18Å; L95-R99 PolarHBondContact O-N 3.01Å; L95-R99 VanDerWaalsContact O-N 3.09Å; H96-R99 PolarHBondContact O-N 3.42Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 3.21Å |
| 100 | R | 73.3 | Confident | 61.8 | Low | 182 Ų | 182 | 88.1 Ų | 88.1 | 69% | 0.687 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -77.1 | -24.7 | -178.6 | -83 | -170.1 | 173.7 | 178.5 | 0.9 | 114 | H96 A97 G102 | H96-R100 VanDerWaalsContact NE2-CZ 3.29Å; H96-R100 PolarHBondContact NE2-NE 3.47Å; H96-R100 PolarHBondContact NE2-NH2 3.26Å; H96-R100 PolarHBondContact O-N 3.17Å; H96-R100 VanDerWaalsContact O-N 3.16Å; A97-R100 PolarHBondContact O-N 3.34Å; R100-G102 PolarHBondContact O-N 3.26Å |
| 101 | S | 62.5 | Low | 59.4 | Low | 50 Ų | 50 | 90.2 Ų | 90.2 | 35% | 0.35 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -11.9 | -173.6 | -116.1 | 0 | 0 | 0 | 0 | 115 | A97 T103 | A97-S101 PolarHBondContact O-N 2.68Å; S101-T103 PolarHBondContact O-N 2.96Å; S101-T103 PolarHBondContact O-OG1 3.17Å |
| 102 | G | 48.2 | Very low | 57.2 | Low | 69 Ų | 69 | 90.9 Ų | 90.9 | 71% | 0.711 | 50% | 0.504 | S | S | * | . | trans | 61.7 | -16.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | R100 V104 | R100-G102 PolarHBondContact O-N 3.26Å; G102-V104 PolarHBondContact O-N 3.26Å | ||
| 103 | T | 40.8 | Very low | 55 | Low | 103 Ų | 103 | 91.3 Ų | 91.3 | 63% | 0.632 | 50% | 0.498 | S | S | * | . | trans | -78.7 | 116 | 168.4 | 38.4 | 0 | 0 | 0 | 0 | 107.9 | S101 V105 | S101-T103 PolarHBondContact O-N 2.96Å; S101-T103 PolarHBondContact O-OG1 3.17Å; T103-V105 PolarHBondContact O-N 3.28Å | ||
| 104 | V | 38.6 | Very low | 52.9 | Low | 144 Ų | 144 | 90 Ų | 90 | 87% | 0.873 | 49% | 0.491 | S | S | * | . | trans | -58.7 | 88.7 | 159.8 | 177.1 | 0 | 0 | 0 | 0 | 105.7 | G102 E106 | G102-V104 PolarHBondContact O-N 3.26Å; V104-E106 PolarHBondContact O-N 3.2Å; V104-E106 VanDerWaalsContact O-N 3.07Å | ||
| 105 | V | 35.3 | Very low | 50.8 | Low | 75 Ų | 75 | 93.5 Ų | 93.5 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | trans | -63.7 | 110.9 | 167.8 | 174.6 | 0 | 0 | 0 | 0 | 103.9 | T103 R107 | T103-V105 PolarHBondContact O-N 3.28Å; V105-R107 PolarHBondContact O-N 2.97Å | ||
| 106 | E | 30.1 | Very low | 49.2 | Very low | 148 Ų | 148 | 92.5 Ų | 92.5 | 69% | 0.692 | 51% | 0.507 | S | S | * | . | trans | -37 | 136.1 | 156.5 | -82.2 | -180 | 140.9 | 0 | 0 | 107.6 | V104 L108 | V104-E106 PolarHBondContact O-N 3.2Å; V104-E106 VanDerWaalsContact O-N 3.07Å; E106-L108 HydrophobicContact CB-CD1 4.44Å; E106-L108 PolarHBondContact O-N 3.44Å | ||
| 107 | R | 34.3 | Very low | 47.7 | Very low | 251 Ų | 251 | 92.9 Ų | 92.9 | 95% | 0.947 | 51% | 0.508 | S | S | * | . | trans | -65.4 | 63.4 | 169.5 | -61 | 176.1 | -162 | 159.5 | 4.9 | 108.6 | V105 G109 | V105-R107 PolarHBondContact O-N 2.97Å; R107-G109 PolarHBondContact O-N 3.3Å | ||
| 108 | L | 31.5 | Very low | 46.6 | Very low | 111 Ų | 111 | 99.6 Ų | 99.6 | 58% | 0.581 | 54% | 0.538 | S | S | * | . | trans | -51.5 | 133.9 | 164.8 | -90.2 | 141 | 0 | 0 | 0 | 105.9 | E106 | E106-L108 HydrophobicContact CB-CD1 4.44Å; E106-L108 PolarHBondContact O-N 3.44Å | ||
| 109 | G | 29.6 | Very low | 46 | Very low | 59 Ų | 59 | 103.7 Ų | 103.7 | 61% | 0.608 | 55% | 0.545 | S | S | * | . | trans | -52.2 | 175.8 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R107 | R107-G109 PolarHBondContact O-N 3.3Š| ||
| 110 | A | 32.6 | Very low | 45.7 | Very low | 28 Ų | 28 | 96.5 Ų | 96.5 | 23% | 0.231 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -36.4 | 135.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N112 Q209 | A110-N112 VanDerWaalsContact C-N 3.32Å; A110-N112 PolarHBondContact O-N 3.48Å; A110-Q209 HydrophobicContact CB-CB 4.48Å; A110-Q209 HydrophobicContact CB-CG 4.49Å |
| 111 | P | 39.9 | Very low | 45.7 | Very low | 71 Ų | 71 | 96.1 Ų | 96.1 | 46% | 0.461 | 53% | 0.528 | S | S | . | . | trans | -67.7 | 102.9 | -176.8 | 17 | 3.1 | 0 | 0 | 0 | 104.3 | N113 R139 | P111-N113 PolarHBondContact O-N 3.21Å; P111-R139 VanDerWaalsContact CG-NH2 3.34Å | ||
| 112 | N | 43.7 | Very low | 46.5 | Very low | 26 Ų | 26 | 95.1 Ų | 95.1 | 14% | 0.139 | 52% | 0.518 | C | S | . | . | trans | -59.1 | 135.7 | 171 | -89.1 | -9.3 | 0 | 0 | 0 | 105.8 | A110 L114 V115 Q209 L894 | A110-N112 VanDerWaalsContact C-N 3.32Å; A110-N112 PolarHBondContact O-N 3.48Å; N112-L114 HydrophobicContact CB-CB 4.44Å; N112-L114 PolarHBondContact O-N 2.99Å; N112-V115 HydrophobicContact CB-CG2 3.93Å; N112-V115 PolarHBondContact O-N 3.46Å; N112-Q209 PolarHBondContact OD1-NE2 3.01Å; N112-L894 WeakPolarHBondContact ND2-CD2 3.4Å | ||
| 113 | N | 42.2 | Very low | 47.9 | Very low | 69 Ų | 69 | 96.1 Ų | 96.1 | 37% | 0.369 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -5.5 | 174.3 | -68.2 | -29.4 | 0 | 0 | 0 | 112.9 | R22 P111 | R22-N113 PolarHBondContact NH2-O 3.3Å; P111-N113 PolarHBondContact O-N 3.21Å |
| 114 | L | 43.8 | Very low | 49.8 | Very low | 53 Ų | 53 | 96.4 Ų | 96.4 | 28% | 0.277 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -12 | 177.1 | -57.7 | 174.7 | 0 | 0 | 0 | 113.6 | N112 D116 P895 T1170 | N112-L114 HydrophobicContact CB-CB 4.44Å; N112-L114 PolarHBondContact O-N 2.99Å; L114-D116 VanDerWaalsContact C-N 3.28Å; L114-D116 PolarHBondContact O-N 2.97Å; L114-P895 HydrophobicContact CB-CG 4.1Å; L114-P895 HydrophobicContact CD1-CB 3.76Å; L114-P895 HydrophobicContact CD1-CG 3.96Å; L114-T1170 HydrophobicContact CD2-CG2 3.23Å |
| 115 | V | 41.7 | Very low | 51.7 | Low | 77 Ų | 77 | 92.4 Ų | 92.4 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | trans | -87.6 | 7.2 | -174.9 | -178.8 | 0 | 0 | 0 | 0 | 112.5 | N112 E117 | N112-V115 HydrophobicContact CB-CG2 3.93Å; N112-V115 PolarHBondContact O-N 3.46Å; V115-E117 PolarHBondContact O-N 3.4Å | ||
| 116 | D | 49.5 | Very low | 53.8 | Low | 73 Ų | 73 | 93.5 Ų | 93.5 | 39% | 0.39 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 9.7 | -176.6 | -99 | -15.7 | 0 | 0 | 0 | 115.2 | R32 L114 | R32-D116 IonicContact CZ-OD1 3.99Å; R32-D116 IonicContact CZ-OD2 3.98Å; R32-D116 IonicContact NH1-OD1 3.78Å; R32-D116 IonicContact NH2-OD1 2.81Å; R32-D116 PolarHBondContact NH2-OD1 3.37Å; R32-D116 IonicContact NH2-OD2 2.94Å; R32-D116 PolarHBondContact NH2-OD2 3.49Å; R32-D116 VanDerWaalsContact NH2-OD2 3.15Å; L114-D116 VanDerWaalsContact C-N 3.28Å; L114-D116 PolarHBondContact O-N 2.97Å |
| 117 | E | 51.8 | Low | 56.2 | Low | 91 Ų | 91 | 86.4 Ų | 86.4 | 43% | 0.425 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 10.1 | -168.4 | -57.9 | -151.3 | 143.5 | 0 | 0 | 115.5 | Y14 F18 V115 E119 | Y14-E117 PolarHBondContact OH-OE2 3.19Å; F18-E117 VanDerWaalsContact CD2-OE1 3.24Å; F18-E117 WeakPolarHBondContact CD2-OE1 3.43Å; F18-E117 WeakPolarHBondContact CE2-OE1 3.32Å; V115-E117 PolarHBondContact O-N 3.4Å; E117-E119 PolarHBondContact O-N 2.95Å; E117-E119 VanDerWaalsContact O-N 3.12Å |
| 118 | E | 56.8 | Low | 58.3 | Low | 150 Ų | 150 | 76.4 Ų | 76.4 | 70% | 0.701 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 116.9 | 168.5 | -72.1 | -176.8 | 179.9 | 0 | 0 | 109.6 | V120 | E118-V120 PolarHBondContact O-N 3.18Š|
| 119 | E | 63.2 | Low | 60.6 | Low | 159 Ų | 159 | 75.2 Ų | 75.2 | 74% | 0.743 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 117.2 | 170.5 | -68.7 | -172.1 | 168.4 | 0 | 0 | 108.6 | Y37 E117 | Y37-E119 HydrophobicContact CD1-CG 4.38Å; E117-E119 PolarHBondContact O-N 2.95Å; E117-E119 VanDerWaalsContact O-N 3.12Å |
| 120 | V | 70.4 | Confident | 63.1 | Low | 38 Ų | 38 | 72.4 Ų | 72.4 | 23% | 0.23 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -97.9 | 119.7 | -179.8 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | E118 F122 E129 F133 | E118-V120 PolarHBondContact O-N 3.18Å; V120-F122 HydrophobicContact CB-CE1 4.12Å; V120-F122 HydrophobicContact CB-CE2 4.22Å; V120-F122 HydrophobicContact CB-CZ 3.82Å; V120-F122 HydrophobicContact CG1-CD1 4.09Å; V120-F122 HydrophobicContact CG1-CE1 3.72Å; V120-F122 HydrophobicContact CG1-CZ 3.97Å; V120-F122 WeakPolarHBondContact O-CD2 3.26Å; V120-F122 VanDerWaalsContact O-CE2 3.26Å; V120-F122 WeakPolarHBondContact O-CE2 3.45Å; V120-E129 HydrophobicContact CG1-CB 4.25Å; V120-F133 HydrophobicContact CG2-CD2 4.11Å |
| 121 | E | 73 | Confident | 65.5 | Low | 173 Ų | 173 | 71.6 Ų | 71.6 | 81% | 0.808 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 124.5 | 169.1 | -68.2 | -172.2 | 174.2 | 0 | 0 | 110 | ||
| 122 | F | 80.4 | Confident | 67.3 | Low | 30 Ų | 30 | 75.2 Ų | 75.2 | 13% | 0.132 | 38% | 0.382 | C | S | . | . | trans | -104.3 | 111.5 | -175.6 | -62.2 | -76.2 | 0 | 0 | 0 | 111.8 | Y37 A39 P40 Y42 I43 V120 F133 | Y37-F122 AromaticContact CE2-CE2 3.95Å; Y37-F122 HydrophobicContact CE2-CE2 3.95Å; A39-F122 HydrophobicContact CB-CD2 4.49Å; A39-F122 HydrophobicContact CB-CE2 4.18Å; P40-F122 HydrophobicContact CG-CB 4.06Å; Y42-F122 WeakPolarHBondContact OH-CB 3.47Å; I43-F122 HydrophobicContact CD1-CB 4.07Å; I43-F122 HydrophobicContact CD1-CD1 3.62Å; I43-F122 HydrophobicContact CD1-CD2 3.32Å; I43-F122 HydrophobicContact CD1-CE1 3.78Å; I43-F122 HydrophobicContact CD1-CE2 3.47Å; I43-F122 VanDerWaalsContact CD1-CE2 3.47Å; I43-F122 HydrophobicContact CD1-CG 3.39Å; I43-F122 HydrophobicContact CD1-CZ 3.7Å; I43-F122 HydrophobicContact CG1-CD1 4.41Å; V120-F122 HydrophobicContact CB-CE1 4.12Å; V120-F122 HydrophobicContact CB-CE2 4.22Å; V120-F122 HydrophobicContact CB-CZ 3.82Å; V120-F122 HydrophobicContact CG1-CD1 4.09Å; V120-F122 HydrophobicContact CG1-CE1 3.72Å; V120-F122 HydrophobicContact CG1-CZ 3.97Å; V120-F122 WeakPolarHBondContact O-CD2 3.26Å; V120-F122 VanDerWaalsContact O-CE2 3.26Å; V120-F122 WeakPolarHBondContact O-CE2 3.45Å; F122-F133 HydrophobicContact CE1-CB 3.92Å; F122-F133 AromaticContact CE1-CD1 3.82Å; F122-F133 HydrophobicContact CE1-CD1 3.82Å; F122-F133 HydrophobicContact CE1-CD2 4.41Å; F122-F133 HydrophobicContact CE1-CE1 4.5Å; F122-F133 AromaticContact CE1-CG 3.78Å; F122-F133 HydrophobicContact CE1-CG 3.78Å; F122-F133 HydrophobicContact CZ-CB 4.42Å; F122-F133 AromaticContact CZ-CD1 3.76Å; F122-F133 HydrophobicContact CZ-CD1 3.76Å; F122-F133 HydrophobicContact CZ-CD2 4.08Å; F122-F133 HydrophobicContact CZ-CE1 4Å; F122-F133 HydrophobicContact CZ-CE2 4.31Å; F122-F133 AromaticContact CZ-CG 3.81Å; F122-F133 HydrophobicContact CZ-CG 3.81Å; F122-F133 HydrophobicContact CZ-CZ 4.28Å | ||
| 123 | T | 77.4 | Confident | 69.1 | Low | 89 Ų | 89 | 75.2 Ų | 75.2 | 55% | 0.546 | 38% | 0.381 | S | S | . | . | trans | -80.6 | -49.5 | -178.1 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | S127 E129 | T123-S127 WeakPolarHBondContact OG1-CB 3.49Å; T123-S127 PolarHBondContact OG1-OG 2.94Å; T123-E129 PolarHBondContact OG1-OE2 3.28Å | ||
| 124 | H | 80.2 | Confident | 70.9 | Confident | 109 Ų | 109 | 72.6 Ų | 72.6 | 51% | 0.505 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -163.4 | 164 | 178.5 | 47.4 | -84.1 | 0 | 0 | 0 | 112.2 | V126 S127 T130 | H124-V126 PolarHBondContact O-N 3.4Å; H124-S127 WeakPolarHBondContact O-CB 3.41Å; H124-S127 PolarHBondContact O-N 2.7Å; H124-S127 PolarHBondContact O-OG 3.46Å; H124-T130 PolarHBondContact O-OG1 3.05Å; H124-T130 VanDerWaalsContact O-OG1 3.05Å |
| 125 | C | 79.2 | Confident | 72.7 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 41% | 0.412 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -23.3 | -167.8 | -57 | 0 | 0 | 0 | 0 | 117.5 | Y42 | Y42-C125 HydrophobicContact CD2-CB 4.13Å; Y42-C125 HydrophobicContact CE2-CB 4.42Å; Y42-C125 HydrophobicContact CG-CB 4.48Å |
| 126 | V | 78.5 | Confident | 74.3 | Confident | 97 Ų | 97 | 68.6 Ų | 68.6 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | 21 | -178.4 | -160.5 | 0 | 0 | 0 | 0 | 110.8 | L93 H124 V131 | L93-V126 HydrophobicContact CD1-CG1 4.24Å; H124-V126 PolarHBondContact O-N 3.4Å; V126-V131 HydrophobicContact CG1-CG2 4.34Å |
| 127 | S | 80.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | trans | -63.8 | 151.9 | 174 | 75.2 | 0 | 0 | 0 | 0 | 110.3 | T123 H124 E129 T130 V131 | T123-S127 WeakPolarHBondContact OG1-CB 3.49Å; T123-S127 PolarHBondContact OG1-OG 2.94Å; H124-S127 WeakPolarHBondContact O-CB 3.41Å; H124-S127 PolarHBondContact O-N 2.7Å; H124-S127 PolarHBondContact O-OG 3.46Å; S127-E129 PolarHBondContact O-N 2.99Å; S127-T130 PolarHBondContact O-N 3.14Å; S127-T130 VanDerWaalsContact O-N 3.11Å; S127-T130 WeakPolarHBondContact OG-CB 3.32Å; S127-T130 PolarHBondContact OG-N 3.31Å; S127-T130 PolarHBondContact OG-OG1 2.94Å; S127-V131 WeakPolarHBondContact O-CG2 3.41Å; S127-V131 PolarHBondContact O-N 3.06Å | ||
| 128 | P | 78.8 | Confident | 76.7 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 26% | 0.26 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.6 | -36.7 | 178.4 | -22.6 | 32.7 | 0 | 0 | 0 | 112.6 | A97 R132 | A97-P128 HydrophobicContact CB-CB 4.36Å; P128-R132 WeakPolarHBondContact O-CB 3.45Å; P128-R132 PolarHBondContact O-N 2.68Å |
| 129 | E | 78.9 | Confident | 77.6 | Confident | 86 Ų | 86 | 62.9 Ų | 62.9 | 40% | 0.402 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.6 | -48.3 | 175.5 | -63.8 | 147.1 | 179.2 | 0 | 0 | 111.6 | V120 T123 S127 V131 R132 F133 | V120-E129 HydrophobicContact CG1-CB 4.25Å; T123-E129 PolarHBondContact OG1-OE2 3.28Å; S127-E129 PolarHBondContact O-N 2.99Å; E129-V131 PolarHBondContact O-N 2.86Å; E129-R132 PolarHBondContact O-N 2.9Å; E129-F133 VanDerWaalsContact O-CB 3.28Å; E129-F133 WeakPolarHBondContact O-CB 3.4Å; E129-F133 PolarHBondContact O-N 2.92Å |
| 130 | T | 82.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 179.1 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | Y42 H124 S127 F133 I134 | Y42-T130 HydrophobicContact CE2-CG2 4.1Å; H124-T130 PolarHBondContact O-OG1 3.05Å; H124-T130 VanDerWaalsContact O-OG1 3.05Å; S127-T130 PolarHBondContact O-N 3.14Å; S127-T130 VanDerWaalsContact O-N 3.11Å; S127-T130 WeakPolarHBondContact OG-CB 3.32Å; S127-T130 PolarHBondContact OG-N 3.31Å; S127-T130 PolarHBondContact OG-OG1 2.94Å; T130-F133 PolarHBondContact O-N 2.88Å; T130-I134 HydrophobicContact CG2-CD1 3.86Å; T130-I134 WeakPolarHBondContact O-CG1 3.31Å; T130-I134 PolarHBondContact O-N 2.97Å |
| 131 | V | 82.2 | Confident | 79 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 177.5 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | L93 A94 A97 V126 S127 E129 F133 I134 A135 | L93-V131 HydrophobicContact CD2-CG1 4.46Å; L93-V131 HydrophobicContact CD2-CG2 4.2Å; L93-V131 HydrophobicContact CG-CG1 4.05Å; L93-V131 HydrophobicContact CG-CG2 4.21Å; A94-V131 HydrophobicContact CB-CG1 4.46Å; A97-V131 HydrophobicContact CB-CB 3.84Å; A97-V131 HydrophobicContact CB-CG1 3.7Å; V126-V131 HydrophobicContact CG1-CG2 4.34Å; S127-V131 WeakPolarHBondContact O-CG2 3.41Å; S127-V131 PolarHBondContact O-N 3.06Å; E129-V131 PolarHBondContact O-N 2.86Å; V131-F133 VanDerWaalsContact C-N 3.31Å; V131-F133 PolarHBondContact O-N 3.15Å; V131-I134 PolarHBondContact O-N 2.99Å; V131-A135 CarbonylContact O-C 3.5Å; V131-A135 WeakPolarHBondContact O-CA 3.28Å; V131-A135 PolarHBondContact O-N 3.1Å |
| 132 | R | 79.2 | Confident | 79.7 | Confident | 147 Ų | 147 | 58.8 Ų | 58.8 | 56% | 0.555 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.7 | -34.2 | 177.9 | -175.2 | 175.3 | -179.9 | 168.3 | -2.8 | 112.4 | P128 E129 P136 | P128-R132 WeakPolarHBondContact O-CB 3.45Å; P128-R132 PolarHBondContact O-N 2.68Å; E129-R132 PolarHBondContact O-N 2.9Å; R132-P136 VanDerWaalsContact O-CA 3.29Å; R132-P136 WeakPolarHBondContact O-CA 3.34Å |
| 133 | F | 80.8 | Confident | 80 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 11% | 0.11 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.7 | -45.2 | 176.2 | 178.5 | -98.5 | 0 | 0 | 0 | 112.4 | L35 I43 V120 F122 E129 T130 V131 | L35-F133 HydrophobicContact CD1-CE1 4.43Å; L35-F133 HydrophobicContact CD1-CZ 4.18Å; L35-F133 HydrophobicContact CD2-CE1 4.44Å; L35-F133 HydrophobicContact CD2-CE2 4.42Å; L35-F133 HydrophobicContact CD2-CZ 3.58Å; I43-F133 HydrophobicContact CG2-CD1 4.21Å; I43-F133 HydrophobicContact CG2-CE1 3.87Å; V120-F133 HydrophobicContact CG2-CD2 4.11Å; F122-F133 HydrophobicContact CE1-CB 3.92Å; F122-F133 AromaticContact CE1-CD1 3.82Å; F122-F133 HydrophobicContact CE1-CD1 3.82Å; F122-F133 HydrophobicContact CE1-CD2 4.41Å; F122-F133 HydrophobicContact CE1-CE1 4.5Å; F122-F133 AromaticContact CE1-CG 3.78Å; F122-F133 HydrophobicContact CE1-CG 3.78Å; F122-F133 HydrophobicContact CZ-CB 4.42Å; F122-F133 AromaticContact CZ-CD1 3.76Å; F122-F133 HydrophobicContact CZ-CD1 3.76Å; F122-F133 HydrophobicContact CZ-CD2 4.08Å; F122-F133 HydrophobicContact CZ-CE1 4Å; F122-F133 HydrophobicContact CZ-CE2 4.31Å; F122-F133 AromaticContact CZ-CG 3.81Å; F122-F133 HydrophobicContact CZ-CG 3.81Å; F122-F133 HydrophobicContact CZ-CZ 4.28Å; E129-F133 VanDerWaalsContact O-CB 3.28Å; E129-F133 WeakPolarHBondContact O-CB 3.4Å; E129-F133 PolarHBondContact O-N 2.92Å; T130-F133 PolarHBondContact O-N 2.88Å; V131-F133 VanDerWaalsContact C-N 3.31Å; V131-F133 PolarHBondContact O-N 3.15Å |
| 134 | I | 80.6 | Confident | 80.5 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74.2 | -56.1 | -179.5 | -64.5 | 172.4 | 0 | 0 | 0 | 109.9 | N46 L50 T130 V131 P136 V197 | N46-I134 HydrophobicContact CB-CD1 3.75Å; L50-I134 HydrophobicContact CD1-CG2 3.48Å; L50-I134 VanDerWaalsContact CD1-CG2 3.48Å; T130-I134 HydrophobicContact CG2-CD1 3.86Å; T130-I134 WeakPolarHBondContact O-CG1 3.31Å; T130-I134 PolarHBondContact O-N 2.97Å; V131-I134 PolarHBondContact O-N 2.99Å; I134-P136 WeakPolarHBondContact O-CD 3.33Å; I134-V197 HydrophobicContact CG2-CG1 3.98Å; I134-V197 WeakPolarHBondContact O-CG1 3.25Å |
| 135 | A | 81.8 | Confident | 81 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -120.1 | 80.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V90 A94 V131 G137 | V90-A135 HydrophobicContact CG1-CB 3.79Å; A94-A135 WeakPolarHBondContact CB-O 3.41Å; V131-A135 CarbonylContact O-C 3.5Å; V131-A135 WeakPolarHBondContact O-CA 3.28Å; V131-A135 PolarHBondContact O-N 3.1Å; A135-G137 PolarHBondContact O-N 3.12Å; A135-G137 VanDerWaalsContact O-N 3.16Å |
| 136 | P | 74.4 | Confident | 81.5 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 121.9 | 173 | 24.2 | -33.7 | 0 | 0 | 0 | 109.3 | R132 I134 V197 | R132-P136 VanDerWaalsContact O-CA 3.29Å; R132-P136 WeakPolarHBondContact O-CA 3.34Å; I134-P136 WeakPolarHBondContact O-CD 3.33Å; P136-V197 WeakPolarHBondContact CD-O 3.48Å |
| 137 | G | 72.4 | Confident | 82.1 | Confident | 44 Ų | 44 | 51.4 Ų | 51.4 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 143.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A135 | A135-G137 PolarHBondContact O-N 3.12Å; A135-G137 VanDerWaalsContact O-N 3.16Å |
| 138 | K | 79.6 | Confident | 82.7 | Confident | 32 Ų | 32 | 52 Ų | 52 | 14% | 0.139 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 147.2 | 177.5 | -53.9 | -62.4 | 179.6 | -177.6 | 0 | 111 | N143 V144 H147 | K138-N143 HydrophobicContact CB-CB 4.47Å; K138-V144 HydrophobicContact CB-CG2 3.77Å; K138-V144 HydrophobicContact CG-CG2 4.28Å; K138-H147 WeakPolarHBondContact CE-ND1 3.47Å |
| 139 | R | 74.4 | Confident | 83.4 | Confident | 119 Ų | 119 | 53.3 Ų | 53.3 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -69.8 | -39.4 | -177.2 | -67 | 166 | 166.4 | -132.9 | -19.9 | 112.2 | P111 E213 | P111-R139 VanDerWaalsContact CG-NH2 3.34Å; R139-E213 WeakPolarHBondContact CB-OE1 3.48Å; R139-E213 WeakPolarHBondContact CD-OE1 3.49Å; R139-E213 WeakPolarHBondContact CG-OE1 3.4Å; R139-E213 PolarHBondContact N-OE1 3.35Å |
| 140 | F | 81.3 | Confident | 84.2 | Confident | 96 Ų | 96 | 51 Ų | 51 | 42% | 0.421 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -103.8 | 127.5 | -177.8 | -58.3 | -78.5 | 0 | 0 | 0 | 110.9 | L142 N143 V144 E213 | F140-L142 PolarHBondContact O-N 2.89Å; F140-N143 HydrophobicContact CB-CB 4.22Å; F140-N143 WeakPolarHBondContact O-CB 3.41Å; F140-N143 PolarHBondContact O-N 2.83Å; F140-V144 PolarHBondContact O-N 2.73Å; F140-E213 HydrophobicContact CD2-CG 4.39Å |
| 141 | G | 83.1 | Confident | 84.7 | Confident | 59 Ų | 59 | 51 Ų | 51 | 61% | 0.608 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.1 | -31.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N143 V144 V145 | G141-N143 VanDerWaalsContact C-N 3.35Å; G141-V144 WeakPolarHBondContact O-CB 3.44Å; G141-V144 PolarHBondContact O-N 2.88Å; G141-V145 PolarHBondContact O-N 2.7Å |
| 142 | L | 86.3 | Confident | 85.3 | Confident | 128 Ų | 128 | 50.7 Ų | 50.7 | 67% | 0.67 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.3 | -37.3 | 174.3 | -173 | 140.5 | 0 | 0 | 0 | 112 | F140 V145 L146 | F140-L142 PolarHBondContact O-N 2.89Å; L142-V145 PolarHBondContact O-N 2.98Å; L142-L146 WeakPolarHBondContact O-CB 3.47Å; L142-L146 PolarHBondContact O-N 2.96Å |
| 143 | N | 87.1 | Confident | 86.1 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 11% | 0.107 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.3 | -33.6 | 177.7 | -69.5 | -4.3 | 0 | 0 | 0 | 111.7 | K138 F140 G141 V145 L146 H147 Y212 E213 | K138-N143 HydrophobicContact CB-CB 4.47Å; F140-N143 HydrophobicContact CB-CB 4.22Å; F140-N143 WeakPolarHBondContact O-CB 3.41Å; F140-N143 PolarHBondContact O-N 2.83Å; G141-N143 VanDerWaalsContact C-N 3.35Å; N143-V145 PolarHBondContact O-N 2.91Å; N143-L146 PolarHBondContact O-N 3.41Å; N143-H147 VanDerWaalsContact O-CB 3.32Å; N143-H147 WeakPolarHBondContact O-CB 3.28Å; N143-H147 PolarHBondContact O-CD2 3.38Å; N143-H147 VanDerWaalsContact O-CD2 3.25Å; N143-H147 PolarHBondContact O-N 2.83Å; N143-Y212 PolarHBondContact ND2-O 3.2Å; N143-E213 PolarHBondContact ND2-OE2 3.28Å |
| 144 | V | 87.6 | Confident | 86.8 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.2 | -49 | 172.5 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | Q91 K138 F140 G141 T148 | Q91-V144 HydrophobicContact CB-CG1 3.97Å; Q91-V144 HydrophobicContact CG-CG1 4.19Å; K138-V144 HydrophobicContact CB-CG2 3.77Å; K138-V144 HydrophobicContact CG-CG2 4.28Å; F140-V144 PolarHBondContact O-N 2.73Å; G141-V144 WeakPolarHBondContact O-CB 3.44Å; G141-V144 PolarHBondContact O-N 2.88Å; V144-T148 WeakPolarHBondContact O-CB 3.24Å; V144-T148 VanDerWaalsContact O-CG2 3.24Å; V144-T148 WeakPolarHBondContact O-CG2 3.46Å; V144-T148 PolarHBondContact O-N 2.66Å; V144-T148 PolarHBondContact O-OG1 3.24Å |
| 145 | V | 90.9 | Very high | 87.5 | Confident | 92 Ų | 92 | 44.7 Ų | 44.7 | 56% | 0.558 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.4 | -44.7 | 179 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | G141 L142 N143 H147 T148 V149 | G141-V145 PolarHBondContact O-N 2.7Å; L142-V145 PolarHBondContact O-N 2.98Å; N143-V145 PolarHBondContact O-N 2.91Å; V145-H147 PolarHBondContact O-N 3.2Å; V145-T148 WeakPolarHBondContact CA-OG1 3.49Å; V145-T148 PolarHBondContact O-OG1 3.04Å; V145-V149 HydrophobicContact CG1-CG2 4.48Å; V145-V149 VanDerWaalsContact O-CG2 3.31Å; V145-V149 WeakPolarHBondContact O-CG2 3.38Å; V145-V149 PolarHBondContact O-N 3.41Å; V145-V149 VanDerWaalsContact O-N 3.1Å |
| 146 | L | 91.1 | Very high | 88.2 | Confident | 79 Ų | 79 | 44.8 Ų | 44.8 | 41% | 0.414 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | -179.2 | -178.8 | 63.7 | 0 | 0 | 0 | 111.8 | L142 N143 V149 L150 | L142-L146 WeakPolarHBondContact O-CB 3.47Å; L142-L146 PolarHBondContact O-N 2.96Å; N143-L146 PolarHBondContact O-N 3.41Å; L146-V149 PolarHBondContact O-N 3.28Å; L146-L150 VanDerWaalsContact O-CB 3.26Å; L146-L150 WeakPolarHBondContact O-CB 3.39Å; L146-L150 PolarHBondContact O-N 2.9Å |
| 147 | H | 90.5 | Very high | 89.2 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.2 | -35.2 | -176.1 | -67.5 | -166.4 | 0 | 0 | 0 | 112.3 | K138 N143 V145 L150 A151 L195 | K138-H147 WeakPolarHBondContact CE-ND1 3.47Å; N143-H147 VanDerWaalsContact O-CB 3.32Å; N143-H147 WeakPolarHBondContact O-CB 3.28Å; N143-H147 PolarHBondContact O-CD2 3.38Å; N143-H147 VanDerWaalsContact O-CD2 3.25Å; N143-H147 PolarHBondContact O-N 2.83Å; V145-H147 PolarHBondContact O-N 3.2Å; H147-L150 PolarHBondContact O-N 3.43Å; H147-A151 WeakPolarHBondContact O-CB 3.2Å; H147-A151 PolarHBondContact O-N 3.07Å; H147-L195 HydrophobicContact CB-CD2 4.38Å |
| 148 | T | 92.9 | Very high | 90.2 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.4 | -43.7 | 175.8 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | A87 Q91 V144 V145 G152 | A87-T148 HydrophobicContact CB-CG2 4.2Å; Q91-T148 HydrophobicContact CB-CG2 4.19Å; Q91-T148 HydrophobicContact CG-CG2 3.65Å; V144-T148 WeakPolarHBondContact O-CB 3.24Å; V144-T148 VanDerWaalsContact O-CG2 3.24Å; V144-T148 WeakPolarHBondContact O-CG2 3.46Å; V144-T148 PolarHBondContact O-N 2.66Å; V144-T148 PolarHBondContact O-OG1 3.24Å; V145-T148 WeakPolarHBondContact CA-OG1 3.49Å; V145-T148 PolarHBondContact O-OG1 3.04Å; T148-G152 PolarHBondContact O-N 2.99Å |
| 149 | V | 94.4 | Very high | 90.9 | Very high | 68 Ų | 68 | 43 Ų | 43 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 172.9 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | F84 V145 L146 A151 G152 V153 | F84-V149 HydrophobicContact CE2-CG2 3.93Å; V145-V149 HydrophobicContact CG1-CG2 4.48Å; V145-V149 VanDerWaalsContact O-CG2 3.31Å; V145-V149 WeakPolarHBondContact O-CG2 3.38Å; V145-V149 PolarHBondContact O-N 3.41Å; V145-V149 VanDerWaalsContact O-N 3.1Å; L146-V149 PolarHBondContact O-N 3.28Å; V149-A151 VanDerWaalsContact C-N 3.33Å; V149-A151 PolarHBondContact O-N 2.96Å; V149-G152 PolarHBondContact O-N 2.71Å; V149-V153 HydrophobicContact CG1-CG2 4.24Å; V149-V153 WeakPolarHBondContact O-CG2 3.22Å; V149-V153 PolarHBondContact O-N 3.3Å |
| 150 | L | 94.3 | Very high | 91.8 | Very high | 37 Ų | 37 | 39 Ų | 39 | 19% | 0.194 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64 | -37.2 | -178 | -163.7 | 67.2 | 0 | 0 | 0 | 112.3 | L146 H147 V153 L154 L195 L217 P220 F224 | L146-L150 VanDerWaalsContact O-CB 3.26Å; L146-L150 WeakPolarHBondContact O-CB 3.39Å; L146-L150 PolarHBondContact O-N 2.9Å; H147-L150 PolarHBondContact O-N 3.43Å; L150-V153 PolarHBondContact O-N 2.85Å; L150-L154 WeakPolarHBondContact O-CB 3.33Å; L150-L154 PolarHBondContact O-N 3.45Å; L150-L195 HydrophobicContact CB-CD1 4.25Å; L150-L195 HydrophobicContact CD2-CD1 4.14Å; L150-L195 HydrophobicContact CD2-CD2 3.93Å; L150-L195 HydrophobicContact CG-CD1 4.14Å; L150-L217 HydrophobicContact CD2-CD2 3.61Å; L150-P220 HydrophobicContact CD2-CB 4.41Å; L150-F224 HydrophobicContact CD1-CD2 4.45Å; L150-F224 HydrophobicContact CD1-CE2 3.39Å; L150-F224 HydrophobicContact CD1-CZ 3.58Å; L150-F224 HydrophobicContact CD2-CE2 4.25Å; L150-F224 HydrophobicContact CG-CE2 3.79Å; L150-F224 HydrophobicContact CG-CZ 4.12Å |
| 151 | A | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -49.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A87 H147 V149 V153 L154 C155 E192 L195 I196 | A87-A151 HydrophobicContact CB-CB 4.16Å; H147-A151 WeakPolarHBondContact O-CB 3.2Å; H147-A151 PolarHBondContact O-N 3.07Å; V149-A151 VanDerWaalsContact C-N 3.33Å; V149-A151 PolarHBondContact O-N 2.96Å; A151-V153 PolarHBondContact O-N 2.83Å; A151-L154 PolarHBondContact O-N 2.88Å; A151-C155 WeakPolarHBondContact O-CB 3.48Å; A151-C155 PolarHBondContact O-N 3.44Å; A151-E192 HydrophobicContact CB-CG 4.49Å; A151-L195 HydrophobicContact CB-CD1 4.38Å; A151-I196 HydrophobicContact CB-CD1 3.9Å; A151-I196 HydrophobicContact CB-CG1 3.97Å |
| 152 | G | 95.8 | Very high | 92.8 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 5% | 0.052 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G80 T148 V149 G156 | G80-G152 WeakPolarHBondContact CA-O 3.41Å; G80-G152 WeakPolarHBondContact O-CA 3.34Å; T148-G152 PolarHBondContact O-N 2.99Å; V149-G152 PolarHBondContact O-N 2.71Å; G152-G156 PolarHBondContact O-N 3.47Å |
| 153 | V | 95.8 | Very high | 93.1 | Very high | 58 Ų | 58 | 26 Ų | 26 | 35% | 0.352 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -63.9 | -43.3 | 177.7 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | V149 L150 A151 G156 F157 F224 | V149-V153 HydrophobicContact CG1-CG2 4.24Å; V149-V153 WeakPolarHBondContact O-CG2 3.22Å; V149-V153 PolarHBondContact O-N 3.3Å; L150-V153 PolarHBondContact O-N 2.85Å; A151-V153 PolarHBondContact O-N 2.83Å; V153-G156 PolarHBondContact O-N 3.36Å; V153-F157 HydrophobicContact CG1-CD2 3.58Å; V153-F157 HydrophobicContact CG1-CE2 3.74Å; V153-F157 WeakPolarHBondContact O-CD2 3.32Å; V153-F157 PolarHBondContact O-N 2.94Å; V153-F224 HydrophobicContact CG1-CE1 4.03Å; V153-F224 HydrophobicContact CG1-CZ 4.19Å |
| 154 | L | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 179.5 | -175.5 | 64.2 | 0 | 0 | 0 | 111.6 | L150 A151 G156 G158 E192 L195 P220 V223 F224 I227 | L150-L154 WeakPolarHBondContact O-CB 3.33Å; L150-L154 PolarHBondContact O-N 3.45Å; A151-L154 PolarHBondContact O-N 2.88Å; L154-G156 PolarHBondContact O-N 2.88Å; L154-G158 WeakPolarHBondContact O-CA 3.47Å; L154-G158 PolarHBondContact O-N 3.41Å; L154-E192 HydrophobicContact CD2-CB 4.03Å; L154-E192 HydrophobicContact CD2-CG 4.32Å; L154-L195 HydrophobicContact CD2-CD1 4.19Å; L154-P220 HydrophobicContact CD2-CB 4.08Å; L154-P220 HydrophobicContact CD2-CG 4.35Å; L154-V223 HydrophobicContact CD1-CB 4.01Å; L154-V223 HydrophobicContact CD1-CG1 3.56Å; L154-F224 HydrophobicContact CB-CE1 4.39Å; L154-F224 HydrophobicContact CB-CE2 4.38Å; L154-F224 HydrophobicContact CB-CZ 3.76Å; L154-F224 HydrophobicContact CD1-CD1 4.34Å; L154-F224 HydrophobicContact CD1-CD2 4.33Å; L154-F224 HydrophobicContact CD1-CE1 3.92Å; L154-F224 HydrophobicContact CD1-CE2 3.89Å; L154-F224 HydrophobicContact CD1-CZ 3.69Å; L154-F224 HydrophobicContact CG-CZ 4.32Å; L154-I227 HydrophobicContact CD1-CD1 4.49Å |
| 155 | C | 95.5 | Very high | 93 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 177.8 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | M83 A151 T159 | M83-C155 HydrophobicContact CB-CB 3.67Å; M83-C155 HydrophobicContact CG-CB 3.62Å; A151-C155 WeakPolarHBondContact O-CB 3.48Å; A151-C155 PolarHBondContact O-N 3.44Å; C155-T159 WeakPolarHBondContact O-CB 3.48Å; C155-T159 PolarHBondContact O-N 3.33Å; C155-T159 PolarHBondContact O-OG1 2.87Å |
| 156 | G | 95.3 | Very high | 92.8 | Very high | 7 Ų | 7 | 25.2 Ų | 25.2 | 7% | 0.072 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.9 | -56.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A76 G152 V153 L154 G158 T159 W160 | A76-G156 WeakPolarHBondContact CB-O 3.37Å; A76-G156 WeakPolarHBondContact O-CA 3.4Å; G152-G156 PolarHBondContact O-N 3.47Å; V153-G156 PolarHBondContact O-N 3.36Å; L154-G156 PolarHBondContact O-N 2.88Å; G156-G158 VanDerWaalsContact C-N 3.33Å; G156-G158 PolarHBondContact O-N 3.43Å; G156-T159 WeakPolarHBondContact O-CB 3.44Å; G156-T159 PolarHBondContact O-N 3.33Å; G156-W160 PolarHBondContact O-N 3.19Å; G156-W160 VanDerWaalsContact O-N 3.14Å |
| 157 | F | 95.1 | Very high | 92.7 | Very high | 80 Ų | 80 | 21.5 Ų | 21.5 | 35% | 0.351 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -65.6 | -34.9 | 177.7 | -78.3 | -64.5 | 0 | 0 | 0 | 113 | V153 T159 W160 Y161 I227 L231 | V153-F157 HydrophobicContact CG1-CD2 3.58Å; V153-F157 HydrophobicContact CG1-CE2 3.74Å; V153-F157 WeakPolarHBondContact O-CD2 3.32Å; V153-F157 PolarHBondContact O-N 2.94Å; F157-T159 VanDerWaalsContact C-N 3.33Å; F157-W160 HydrophobicContact CD1-CE3 4.02Å; F157-W160 HydrophobicContact CE1-CE3 4.14Å; F157-W160 HydrophobicContact CE1-CZ3 4.21Å; F157-W160 WeakPolarHBondContact O-CB 3.22Å; F157-W160 PolarHBondContact O-N 3.32Å; F157-W160 VanDerWaalsContact O-N 3.17Å; F157-Y161 WeakPolarHBondContact O-CB 3.18Å; F157-Y161 PolarHBondContact O-N 2.82Å; F157-I227 HydrophobicContact CB-CD1 4.03Å; F157-I227 HydrophobicContact CB-CG2 3.98Å; F157-I227 HydrophobicContact CD1-CG2 4.49Å; F157-I227 HydrophobicContact CG-CG2 4.42Å; F157-L231 HydrophobicContact CD1-CD1 4.21Å; F157-L231 HydrophobicContact CE1-CD1 4.11Å |
| 158 | G | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | L154 G156 W160 Y161 V162 | L154-G158 WeakPolarHBondContact O-CA 3.47Å; L154-G158 PolarHBondContact O-N 3.41Å; G156-G158 VanDerWaalsContact C-N 3.33Å; G156-G158 PolarHBondContact O-N 3.43Å; G158-W160 VanDerWaalsContact C-N 3.31Å; G158-W160 PolarHBondContact O-N 3.19Å; G158-Y161 PolarHBondContact O-N 2.71Å; G158-V162 WeakPolarHBondContact O-CG2 3.48Å; G158-V162 PolarHBondContact O-N 3.36Å |
| 159 | T | 93.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 172.4 | -55.3 | 0 | 0 | 0 | 0 | 110.6 | T62 S79 C155 G156 F157 L163 | T62-T159 HydrophobicContact CG2-CG2 3.78Å; S79-T159 WeakPolarHBondContact CB-OG1 3.49Å; S79-T159 WeakPolarHBondContact OG-CB 3.37Å; S79-T159 PolarHBondContact OG-OG1 2.93Å; C155-T159 WeakPolarHBondContact O-CB 3.48Å; C155-T159 PolarHBondContact O-N 3.33Å; C155-T159 PolarHBondContact O-OG1 2.87Å; G156-T159 WeakPolarHBondContact O-CB 3.44Å; G156-T159 PolarHBondContact O-N 3.33Å; F157-T159 VanDerWaalsContact C-N 3.33Å; T159-L163 WeakPolarHBondContact O-CG 3.45Å; T159-L163 PolarHBondContact O-N 3.04Å |
| 160 | W | 92.9 | Very high | 92 | Very high | 33 Ų | 33 | 23.5 Ų | 23.5 | 13% | 0.125 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.4 | -36.9 | 179.6 | -160.9 | 14.1 | 0 | 0 | 0 | 113 | L73 A76 G156 F157 G158 L231 R234 F235 | L73-W160 HydrophobicContact CD1-CE3 4.26Å; L73-W160 HydrophobicContact CD1-CH2 3.7Å; L73-W160 HydrophobicContact CD1-CZ2 4.03Å; L73-W160 HydrophobicContact CD1-CZ3 3.82Å; A76-W160 HydrophobicContact CB-CB 3.87Å; A76-W160 HydrophobicContact CB-CG 4.35Å; G156-W160 PolarHBondContact O-N 3.19Å; G156-W160 VanDerWaalsContact O-N 3.14Å; F157-W160 HydrophobicContact CD1-CE3 4.02Å; F157-W160 HydrophobicContact CE1-CE3 4.14Å; F157-W160 HydrophobicContact CE1-CZ3 4.21Å; F157-W160 WeakPolarHBondContact O-CB 3.22Å; F157-W160 PolarHBondContact O-N 3.32Å; F157-W160 VanDerWaalsContact O-N 3.17Å; G158-W160 VanDerWaalsContact C-N 3.31Å; G158-W160 PolarHBondContact O-N 3.19Å; W160-L231 HydrophobicContact CE3-CD2 3.89Å; W160-L231 HydrophobicContact CH2-CD2 4.24Å; W160-L231 HydrophobicContact CZ3-CD2 3.66Å; W160-R234 PolarHBondContact O-NH2 3.36Å; W160-F235 HydrophobicContact CH2-CZ 4.15Å |
| 161 | Y | 92.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.4 | -44.1 | 177.2 | -178.4 | -109.6 | 0 | 0 | 0 | 111.9 | F157 G158 I227 D230 H250 F253 | F157-Y161 WeakPolarHBondContact O-CB 3.18Å; F157-Y161 PolarHBondContact O-N 2.82Å; G158-Y161 PolarHBondContact O-N 2.71Å; Y161-I227 HydrophobicContact CD1-CG1 4.46Å; Y161-I227 HydrophobicContact CD2-CG1 4.13Å; Y161-I227 HydrophobicContact CG-CG1 3.97Å; Y161-D230 HydrophobicContact CD2-CB 3.71Å; Y161-D230 HydrophobicContact CE2-CB 3.64Å; Y161-H250 AromaticContact CD2-NE2 3.74Å; Y161-H250 AromaticContact CE1-CD2 3.91Å; Y161-H250 AromaticContact CE2-CD2 3.91Å; Y161-H250 AromaticContact CE2-CE1 3.42Å; Y161-H250 VanDerWaalsContact CE2-CE1 3.42Å; Y161-H250 WeakPolarHBondContact CE2-CE1 3.29Å; Y161-H250 AromaticContact CE2-NE2 3.29Å; Y161-H250 VanDerWaalsContact CE2-NE2 3.29Å; Y161-H250 WeakPolarHBondContact CE2-NE2 3.43Å; Y161-H250 AromaticContact CZ-CD2 3.51Å; Y161-H250 AromaticContact CZ-CE1 3.75Å; Y161-H250 AromaticContact CZ-CG 3.93Å; Y161-H250 AromaticContact CZ-NE2 3.41Å; Y161-H250 PolarHBondContact OH-CD2 3.06Å; Y161-F253 HydrophobicContact CD1-CZ 4.5Å; Y161-F253 HydrophobicContact CE1-CD1 4.01Å; Y161-F253 AromaticContact CE1-CD2 3.97Å; Y161-F253 HydrophobicContact CE1-CD2 3.97Å; Y161-F253 HydrophobicContact CE1-CE1 4.13Å; Y161-F253 HydrophobicContact CE1-CE2 4.1Å; Y161-F253 AromaticContact CE1-CG 3.94Å; Y161-F253 HydrophobicContact CE1-CG 3.94Å; Y161-F253 HydrophobicContact CE1-CZ 4.18Å |
| 162 | V | 93.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -90.9 | 4.4 | -173.9 | -174.5 | 0 | 0 | 0 | 0 | 113 | G158 L164 L167 F181 L188 | G158-V162 WeakPolarHBondContact O-CG2 3.48Å; G158-V162 PolarHBondContact O-N 3.36Å; V162-L164 PolarHBondContact O-N 3.5Å; V162-L167 HydrophobicContact CG1-CD1 4.36Å; V162-L167 WeakPolarHBondContact O-CD1 3.22Å; V162-F181 HydrophobicContact CG1-CB 4.49Å; V162-F181 HydrophobicContact CG1-CD2 3.6Å; V162-F181 HydrophobicContact CG1-CE2 4.09Å; V162-F181 HydrophobicContact CG1-CG 4.24Å; V162-F181 VanDerWaalsContact O-CD2 3.23Å; V162-F181 WeakPolarHBondContact O-CD2 3.41Å; V162-L188 HydrophobicContact CG2-CD1 3.69Å |
| 163 | L | 91.2 | Very high | 90.9 | Very high | 7 Ų | 7 | 31 Ų | 31 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | trans | -50.3 | 128 | -179.6 | -82.5 | 176.6 | 0 | 0 | 0 | 112.6 | T62 C65 E72 T159 G165 R166 L167 | T62-L163 HydrophobicContact CG2-CD2 4.16Å; C65-L163 HydrophobicContact CB-CD2 4.31Å; E72-L163 HydrophobicContact CB-CD1 3.65Å; E72-L163 HydrophobicContact CG-CD1 3.71Å; T159-L163 WeakPolarHBondContact O-CG 3.45Å; T159-L163 PolarHBondContact O-N 3.04Å; L163-G165 PolarHBondContact O-N 3.38Å; L163-R166 HydrophobicContact CB-CB 4.34Å; L163-R166 WeakPolarHBondContact O-CB 3.46Å; L163-R166 PolarHBondContact O-N 3.27Å; L163-L167 PolarHBondContact O-N 3.03Å; L163-L167 VanDerWaalsContact O-N 3.09Å | ||
| 164 | L | 86.8 | Confident | 90.4 | Very high | 42 Ų | 42 | 33.7 Ų | 33.7 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -32.9 | -175.7 | -166.2 | 66.5 | 0 | 0 | 0 | 112.8 | Q66 V162 R166 L167 T168 F181 | Q66-L164 VanDerWaalsContact NE2-CD2 3.29Å; V162-L164 PolarHBondContact O-N 3.5Å; L164-R166 VanDerWaalsContact C-N 3.33Å; L164-R166 PolarHBondContact O-N 3.33Å; L164-L167 PolarHBondContact O-N 2.91Å; L164-T168 WeakPolarHBondContact O-CB 3.47Å; L164-T168 WeakPolarHBondContact O-CG2 3.41Å; L164-T168 PolarHBondContact O-N 3.01Å; L164-T168 PolarHBondContact O-OG1 2.69Å; L164-F181 HydrophobicContact CD1-CB 4.09Å; L164-F181 HydrophobicContact CD1-CD2 4.4Å; L164-F181 HydrophobicContact CD1-CG 4.34Å |
| 165 | G | 85.8 | Confident | 90 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 46% | 0.464 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.5 | -36.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L163 T168 A169 | L163-G165 PolarHBondContact O-N 3.38Å; G165-T168 WeakPolarHBondContact CA-OG1 3.41Å; G165-T168 PolarHBondContact O-OG1 3.41Å; G165-A169 WeakPolarHBondContact O-CB 3.36Å; G165-A169 PolarHBondContact O-N 3.12Å |
| 166 | R | 87.2 | Confident | 89.6 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 17% | 0.174 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72 | -46.9 | 175.4 | 176.9 | 62.2 | 170.8 | 171 | 1.3 | 111.5 | L163 L164 T168 A169 L170 D230 D233 | L163-R166 HydrophobicContact CB-CB 4.34Å; L163-R166 WeakPolarHBondContact O-CB 3.46Å; L163-R166 PolarHBondContact O-N 3.27Å; L164-R166 VanDerWaalsContact C-N 3.33Å; L164-R166 PolarHBondContact O-N 3.33Å; R166-T168 VanDerWaalsContact C-N 3.3Å; R166-T168 PolarHBondContact O-N 3.47Å; R166-A169 WeakPolarHBondContact O-CB 3.49Å; R166-A169 PolarHBondContact O-N 3.28Å; R166-A169 VanDerWaalsContact O-N 3.15Å; R166-L170 HydrophobicContact CG-CD1 4.2Å; R166-L170 WeakPolarHBondContact O-CG 3.43Å; R166-L170 PolarHBondContact O-N 3.31Å; R166-D230 IonicContact CZ-OD1 3.57Å; R166-D230 IonicContact NE-OD1 2.67Å; R166-D230 PolarHBondContact NE-OD1 3.15Å; R166-D230 IonicContact NH2-OD1 3.34Å; R166-D230 PolarHBondContact NH2-OD1 3.23Å; R166-D233 IonicContact CZ-OD2 2.72Å; R166-D233 IonicContact NH1-OD2 3.65Å; R166-D233 IonicContact NH2-OD2 2.97Å; R166-D233 PolarHBondContact NH2-OD2 3.44Å |
| 167 | L | 89.3 | Confident | 89.4 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 179.3 | -65.3 | 176 | 0 | 0 | 0 | 111.6 | V162 L163 L164 A169 L170 Y171 S177 V180 F181 | V162-L167 HydrophobicContact CG1-CD1 4.36Å; V162-L167 WeakPolarHBondContact O-CD1 3.22Å; L163-L167 PolarHBondContact O-N 3.03Å; L163-L167 VanDerWaalsContact O-N 3.09Å; L164-L167 PolarHBondContact O-N 2.91Å; L167-A169 VanDerWaalsContact C-N 3.35Å; L167-A169 PolarHBondContact O-N 2.99Å; L167-L170 PolarHBondContact O-N 3.15Å; L167-Y171 HydrophobicContact CD2-CE2 4.4Å; L167-Y171 WeakPolarHBondContact O-CD2 3.36Å; L167-Y171 PolarHBondContact O-N 3.09Å; L167-S177 VanDerWaalsContact C-OG 3.26Å; L167-S177 PolarHBondContact O-OG 3.27Å; L167-V180 HydrophobicContact CD1-CG1 4.25Å; L167-V180 HydrophobicContact CD2-CG1 3.91Å; L167-F181 HydrophobicContact CD1-CB 3.89Å; L167-F181 HydrophobicContact CD1-CD2 4.46Å |
| 168 | T | 89.1 | Confident | 89.1 | Confident | 43 Ų | 43 | 38.2 Ų | 38.2 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 175.3 | 43.2 | 0 | 0 | 0 | 0 | 112.7 | L164 G165 R166 L170 G172 T174 S177 | L164-T168 WeakPolarHBondContact O-CB 3.47Å; L164-T168 WeakPolarHBondContact O-CG2 3.41Å; L164-T168 PolarHBondContact O-N 3.01Å; L164-T168 PolarHBondContact O-OG1 2.69Å; G165-T168 WeakPolarHBondContact CA-OG1 3.41Å; G165-T168 PolarHBondContact O-OG1 3.41Å; R166-T168 VanDerWaalsContact C-N 3.3Å; R166-T168 PolarHBondContact O-N 3.47Å; T168-L170 VanDerWaalsContact C-N 3.34Å; T168-G172 WeakPolarHBondContact O-CA 3.37Å; T168-G172 PolarHBondContact O-N 2.9Å; T168-T174 HydrophobicContact CG2-CG2 4.12Å; T168-S177 VanDerWaalsContact CA-OG 3.28Å; T168-S177 WeakPolarHBondContact CA-OG 3.43Å; T168-S177 PolarHBondContact N-OG 3.42Å |
| 169 | A | 87.3 | Confident | 89 | Confident | 73 Ų | 73 | 42.3 Ų | 42.3 | 60% | 0.603 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.7 | -34.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | G165 R166 L167 | G165-A169 WeakPolarHBondContact O-CB 3.36Å; G165-A169 PolarHBondContact O-N 3.12Å; R166-A169 WeakPolarHBondContact O-CB 3.49Å; R166-A169 PolarHBondContact O-N 3.28Å; R166-A169 VanDerWaalsContact O-N 3.15Å; L167-A169 VanDerWaalsContact C-N 3.35Å; L167-A169 PolarHBondContact O-N 2.99Å |
| 170 | L | 86.2 | Confident | 88.9 | Confident | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -76.8 | -39.4 | -179.3 | -72.8 | 174.1 | 0 | 0 | 0 | 113.4 | R166 L167 T168 Q247 | R166-L170 HydrophobicContact CG-CD1 4.2Å; R166-L170 WeakPolarHBondContact O-CG 3.43Å; R166-L170 PolarHBondContact O-N 3.31Å; L167-L170 PolarHBondContact O-N 3.15Å; T168-L170 VanDerWaalsContact C-N 3.34Å; L170-Q247 HydrophobicContact CB-CG 4.28Å; L170-Q247 HydrophobicContact CD2-CG 3.94Å; L170-Q247 PolarHBondContact O-NE2 3.41Å |
| 171 | Y | 87.4 | Confident | 88.9 | Confident | 67 Ų | 67 | 42.6 Ų | 42.6 | 26% | 0.263 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -107.1 | -11.8 | -173.1 | -65.1 | -73 | 0 | 0 | 0 | 114.9 | L167 S173 V180 Q247 H250 V251 | L167-Y171 HydrophobicContact CD2-CE2 4.4Å; L167-Y171 WeakPolarHBondContact O-CD2 3.36Å; L167-Y171 PolarHBondContact O-N 3.09Å; Y171-S173 PolarHBondContact O-N 3.07Å; Y171-V180 HydrophobicContact CE2-CG2 4.37Å; Y171-Q247 PolarHBondContact OH-O 3.28Å; Y171-H250 HydrophobicContact CE2-CB 4.46Å; Y171-H250 WeakPolarHBondContact OH-CB 3.39Å; Y171-V251 HydrophobicContact CE1-CG2 4.19Å; Y171-V251 WeakPolarHBondContact OH-CG2 3.43Å |
| 172 | G | 84.4 | Confident | 88.9 | Confident | 75 Ų | 75 | 45.2 Ų | 45.2 | 77% | 0.773 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 65.9 | 2.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | T168 | T168-G172 WeakPolarHBondContact O-CA 3.37Å; T168-G172 PolarHBondContact O-N 2.9Å |
| 173 | S | 89.9 | Confident | 88.9 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 40% | 0.399 | 32% | 0.321 | S | S | . | . | trans | -129.6 | 126.9 | 179.7 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | Y171 S177 | Y171-S173 PolarHBondContact O-N 3.07Å; S173-S177 WeakPolarHBondContact O-CB 3.43Å; S173-S177 PolarHBondContact O-N 3.45Å; S173-S177 PolarHBondContact O-OG 3.35Å | ||
| 174 | T | 85.8 | Confident | 89.1 | Confident | 115 Ų | 115 | 48.5 Ų | 48.5 | 71% | 0.706 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.9 | -37.7 | 177.4 | 47.6 | 0 | 0 | 0 | 0 | 112.1 | T168 S177 L178 | T168-T174 HydrophobicContact CG2-CG2 4.12Å; T174-S177 PolarHBondContact O-N 2.88Å; T174-L178 PolarHBondContact O-N 3.44Å |
| 175 | G | 86.7 | Confident | 89.4 | Confident | 43 Ų | 43 | 46.6 Ų | 46.6 | 44% | 0.443 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.8 | -48.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S177 L178 V179 | G175-S177 VanDerWaalsContact C-N 3.32Å; G175-S177 PolarHBondContact O-N 3.3Å; G175-L178 PolarHBondContact O-N 3.23Å; G175-V179 PolarHBondContact O-N 3.35Å |
| 176 | A | 86.6 | Confident | 89.8 | Confident | 43 Ų | 43 | 46.8 Ų | 46.8 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L178 V179 V180 | A176-L178 VanDerWaalsContact C-N 3.34Å; A176-L178 PolarHBondContact O-N 2.78Å; A176-V179 PolarHBondContact O-N 3.41Å; A176-V180 WeakPolarHBondContact O-CG2 3.24Å; A176-V180 PolarHBondContact O-N 3.23Å |
| 177 | S | 90.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 178.7 | -57 | 0 | 0 | 0 | 0 | 112.7 | L167 T168 S173 T174 G175 F181 | L167-S177 VanDerWaalsContact C-OG 3.26Å; L167-S177 PolarHBondContact O-OG 3.27Å; T168-S177 VanDerWaalsContact CA-OG 3.28Å; T168-S177 WeakPolarHBondContact CA-OG 3.43Å; T168-S177 PolarHBondContact N-OG 3.42Å; S173-S177 WeakPolarHBondContact O-CB 3.43Å; S173-S177 PolarHBondContact O-N 3.45Å; S173-S177 PolarHBondContact O-OG 3.35Å; T174-S177 PolarHBondContact O-N 2.88Å; G175-S177 VanDerWaalsContact C-N 3.32Å; G175-S177 PolarHBondContact O-N 3.3Å; S177-F181 WeakPolarHBondContact O-CB 3.39Å; S177-F181 PolarHBondContact O-N 2.72Å |
| 178 | L | 90.4 | Very high | 90.4 | Very high | 98 Ų | 98 | 44.7 Ų | 44.7 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 176.8 | -169.5 | 77.3 | 0 | 0 | 0 | 111.9 | T174 G175 A176 F181 V182 | T174-L178 PolarHBondContact O-N 3.44Å; G175-L178 PolarHBondContact O-N 3.23Å; A176-L178 VanDerWaalsContact C-N 3.34Å; A176-L178 PolarHBondContact O-N 2.78Å; L178-F181 WeakPolarHBondContact O-CB 3.46Å; L178-F181 PolarHBondContact O-N 3.39Å; L178-V182 WeakPolarHBondContact O-CG2 3.4Å; L178-V182 PolarHBondContact O-N 3.35Å |
| 179 | V | 91.4 | Very high | 90.6 | Very high | 86 Ų | 86 | 42.7 Ų | 42.7 | 52% | 0.521 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 177.1 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | G175 A176 F181 V182 L183 | G175-V179 PolarHBondContact O-N 3.35Å; A176-V179 PolarHBondContact O-N 3.41Å; V179-F181 VanDerWaalsContact C-N 3.3Å; V179-F181 PolarHBondContact O-N 3.04Å; V179-V182 PolarHBondContact O-N 3.21Å; V179-L183 HydrophobicContact CG1-CD1 3.87Å; V179-L183 WeakPolarHBondContact O-CG 3.48Å; V179-L183 PolarHBondContact O-N 3.44Å; V179-L183 VanDerWaalsContact O-N 3.08Å |
| 180 | V | 91.8 | Very high | 90.8 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 176.4 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | L167 Y171 A176 S184 I254 | L167-V180 HydrophobicContact CD1-CG1 4.25Å; L167-V180 HydrophobicContact CD2-CG1 3.91Å; Y171-V180 HydrophobicContact CE2-CG2 4.37Å; A176-V180 WeakPolarHBondContact O-CG2 3.24Å; A176-V180 PolarHBondContact O-N 3.23Å; V180-S184 WeakPolarHBondContact O-CB 3.08Å; V180-S184 PolarHBondContact O-N 3.35Å; V180-S184 PolarHBondContact O-OG 3.43Å; V180-I254 HydrophobicContact CG1-CG2 4.49Å |
| 181 | F | 93.2 | Very high | 91.1 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 11% | 0.114 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.9 | -54.5 | 176.6 | 175.3 | -94.4 | 0 | 0 | 0 | 112.2 | T62 V162 L164 L167 S177 L178 V179 S184 W185 | T62-F181 HydrophobicContact CG2-CE2 4.2Å; V162-F181 HydrophobicContact CG1-CB 4.49Å; V162-F181 HydrophobicContact CG1-CD2 3.6Å; V162-F181 HydrophobicContact CG1-CE2 4.09Å; V162-F181 HydrophobicContact CG1-CG 4.24Å; V162-F181 VanDerWaalsContact O-CD2 3.23Å; V162-F181 WeakPolarHBondContact O-CD2 3.41Å; L164-F181 HydrophobicContact CD1-CB 4.09Å; L164-F181 HydrophobicContact CD1-CD2 4.4Å; L164-F181 HydrophobicContact CD1-CG 4.34Å; L167-F181 HydrophobicContact CD1-CB 3.89Å; L167-F181 HydrophobicContact CD1-CD2 4.46Å; S177-F181 WeakPolarHBondContact O-CB 3.39Å; S177-F181 PolarHBondContact O-N 2.72Å; L178-F181 WeakPolarHBondContact O-CB 3.46Å; L178-F181 PolarHBondContact O-N 3.39Å; V179-F181 VanDerWaalsContact C-N 3.3Å; V179-F181 PolarHBondContact O-N 3.04Å; F181-S184 PolarHBondContact O-N 3.19Å; F181-W185 AromaticContact CD1-CD1 3.99Å; F181-W185 AromaticContact CD2-NE1 3.87Å; F181-W185 AromaticContact CE1-CD1 3.65Å; F181-W185 AromaticContact CE1-NE1 3.81Å; F181-W185 AromaticContact CE2-CD1 3.73Å; F181-W185 AromaticContact CE2-NE1 3.18Å; F181-W185 AromaticContact CZ-CD1 3.51Å; F181-W185 AromaticContact CZ-NE1 3.15Å; F181-W185 VanDerWaalsContact O-CD1 3.27Å; F181-W185 PolarHBondContact O-N 2.95Å; F181-W185 VanDerWaalsContact O-N 3.1Å |
| 182 | V | 92.9 | Very high | 91.3 | Very high | 59 Ų | 59 | 35.8 Ų | 35.8 | 36% | 0.358 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.9 | -48 | -177.6 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | W55 L178 V179 S184 W185 V186 | W55-V182 HydrophobicContact CH2-CG1 3.99Å; W55-V182 HydrophobicContact CZ2-CG1 4.46Å; L178-V182 WeakPolarHBondContact O-CG2 3.4Å; L178-V182 PolarHBondContact O-N 3.35Å; V179-V182 PolarHBondContact O-N 3.21Å; V182-S184 VanDerWaalsContact C-N 3.33Å; V182-S184 PolarHBondContact O-N 3.28Å; V182-W185 PolarHBondContact O-N 3.48Å; V182-V186 PolarHBondContact O-N 3.27Å |
| 183 | L | 93.9 | Very high | 91.5 | Very high | 77 Ų | 77 | 32.5 Ų | 32.5 | 40% | 0.403 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.7 | -33.5 | -179.3 | -65.2 | 176.9 | 0 | 0 | 0 | 112.3 | V179 V186 T187 I254 | V179-L183 HydrophobicContact CG1-CD1 3.87Å; V179-L183 WeakPolarHBondContact O-CG 3.48Å; V179-L183 PolarHBondContact O-N 3.44Å; V179-L183 VanDerWaalsContact O-N 3.08Å; L183-V186 WeakPolarHBondContact O-CB 3.44Å; L183-V186 PolarHBondContact O-N 3.4Å; L183-T187 PolarHBondContact O-N 2.86Å; L183-T187 VanDerWaalsContact O-N 3.1Å; L183-T187 PolarHBondContact O-OG1 2.89Å; L183-I254 HydrophobicContact CB-CB 4.08Å; L183-I254 HydrophobicContact CB-CG2 4.05Å; L183-I254 HydrophobicContact CD1-CB 4.46Å; L183-I254 HydrophobicContact CD1-CD1 4.36Å |
| 184 | S | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.9 | -37.6 | 175.8 | -61.4 | 0 | 0 | 0 | 0 | 112 | V180 F181 V182 V186 T187 L188 | V180-S184 WeakPolarHBondContact O-CB 3.08Å; V180-S184 PolarHBondContact O-N 3.35Å; V180-S184 PolarHBondContact O-OG 3.43Å; F181-S184 PolarHBondContact O-N 3.19Å; V182-S184 VanDerWaalsContact C-N 3.33Å; V182-S184 PolarHBondContact O-N 3.28Å; S184-V186 VanDerWaalsContact C-N 3.3Å; S184-V186 PolarHBondContact O-N 3.38Å; S184-T187 PolarHBondContact O-N 3.23Å; S184-L188 WeakPolarHBondContact O-CG 3.27Å; S184-L188 PolarHBondContact O-N 2.69Å |
| 185 | W | 94.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -36.9 | 172.9 | -85.2 | 111.3 | 0 | 0 | 0 | 112.7 | W55 G58 T62 F181 V182 L188 C189 | W55-W185 HydrophobicContact CB-CE3 4.23Å; W55-W185 HydrophobicContact CD2-CB 3.89Å; W55-W185 HydrophobicContact CD2-CG 4.35Å; W55-W185 HydrophobicContact CE3-CB 4.15Å; W55-W185 HydrophobicContact CG-CB 4.18Å; W55-W185 HydrophobicContact CG-CD2 4.35Å; W55-W185 HydrophobicContact CG-CE3 4.42Å; W55-W185 HydrophobicContact CG-CG 4.24Å; G58-W185 VanDerWaalsContact CA-CH2 3.41Å; T62-W185 HydrophobicContact CG2-CZ2 4.09Å; F181-W185 AromaticContact CD1-CD1 3.99Å; F181-W185 AromaticContact CD2-NE1 3.87Å; F181-W185 AromaticContact CE1-CD1 3.65Å; F181-W185 AromaticContact CE1-NE1 3.81Å; F181-W185 AromaticContact CE2-CD1 3.73Å; F181-W185 AromaticContact CE2-NE1 3.18Å; F181-W185 AromaticContact CZ-CD1 3.51Å; F181-W185 AromaticContact CZ-NE1 3.15Å; F181-W185 VanDerWaalsContact O-CD1 3.27Å; F181-W185 PolarHBondContact O-N 2.95Å; F181-W185 VanDerWaalsContact O-N 3.1Å; V182-W185 PolarHBondContact O-N 3.48Å; W185-L188 HydrophobicContact CD2-CD1 4.35Å; W185-L188 HydrophobicContact CE3-CB 4.33Å; W185-L188 HydrophobicContact CE3-CD1 3.9Å; W185-L188 HydrophobicContact CH2-CD1 4.29Å; W185-L188 HydrophobicContact CZ3-CD1 3.88Å; W185-L188 PolarHBondContact O-N 3.28Å; W185-C189 PolarHBondContact O-N 2.87Å; W185-C189 PolarHBondContact O-SG 3.27Å |
| 186 | V | 93.6 | Very high | 91.1 | Very high | 50 Ų | 50 | 23 Ų | 23 | 30% | 0.303 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -61.1 | -48 | 172.9 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | W55 V182 L183 S184 L188 C189 I190 | W55-V186 HydrophobicContact CZ3-CG2 4.11Å; V182-V186 PolarHBondContact O-N 3.27Å; L183-V186 WeakPolarHBondContact O-CB 3.44Å; L183-V186 PolarHBondContact O-N 3.4Å; S184-V186 VanDerWaalsContact C-N 3.3Å; S184-V186 PolarHBondContact O-N 3.38Å; V186-L188 VanDerWaalsContact C-N 3.34Å; V186-L188 PolarHBondContact O-N 3.24Å; V186-C189 PolarHBondContact O-N 2.91Å; V186-I190 HydrophobicContact CG1-CD1 3.79Å; V186-I190 HydrophobicContact CG1-CG1 4.47Å; V186-I190 VanDerWaalsContact O-CG1 3.24Å; V186-I190 WeakPolarHBondContact O-CG1 3.39Å; V186-I190 PolarHBondContact O-N 2.98Å |
| 187 | T | 94.4 | Very high | 91 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.1 | -42.1 | 176 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | L183 S184 I190 A191 F253 L256 P257 W260 | L183-T187 PolarHBondContact O-N 2.86Å; L183-T187 VanDerWaalsContact O-N 3.1Å; L183-T187 PolarHBondContact O-OG1 2.89Å; S184-T187 PolarHBondContact O-N 3.23Å; T187-I190 PolarHBondContact O-N 2.67Å; T187-A191 PolarHBondContact O-N 3.16Å; T187-F253 HydrophobicContact CG2-CD1 4.18Å; T187-F253 HydrophobicContact CG2-CE1 3.76Å; T187-F253 HydrophobicContact CG2-CE2 4.14Å; T187-F253 HydrophobicContact CG2-CZ 3.73Å; T187-F253 WeakPolarHBondContact CG2-O 3.34Å; T187-F253 PolarHBondContact OG1-O 2.83Å; T187-L256 HydrophobicContact CG2-CB 3.89Å; T187-L256 HydrophobicContact CG2-CD1 3.96Å; T187-P257 HydrophobicContact CG2-CG 4.5Å; T187-W260 HydrophobicContact CG2-CH2 4.09Å; T187-W260 HydrophobicContact CG2-CZ3 4.21Å |
| 188 | L | 94.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 177.1 | -73.9 | 174.7 | 0 | 0 | 0 | 112 | V162 S184 W185 V186 I190 A191 E192 V223 F253 | V162-L188 HydrophobicContact CG2-CD1 3.69Å; S184-L188 WeakPolarHBondContact O-CG 3.27Å; S184-L188 PolarHBondContact O-N 2.69Å; W185-L188 HydrophobicContact CD2-CD1 4.35Å; W185-L188 HydrophobicContact CE3-CB 4.33Å; W185-L188 HydrophobicContact CE3-CD1 3.9Å; W185-L188 HydrophobicContact CH2-CD1 4.29Å; W185-L188 HydrophobicContact CZ3-CD1 3.88Å; W185-L188 PolarHBondContact O-N 3.28Å; V186-L188 VanDerWaalsContact C-N 3.34Å; V186-L188 PolarHBondContact O-N 3.24Å; L188-I190 VanDerWaalsContact C-N 3.32Å; L188-I190 PolarHBondContact O-N 3.41Å; L188-A191 PolarHBondContact O-N 3.28Å; L188-E192 VanDerWaalsContact O-CB 3.31Å; L188-E192 WeakPolarHBondContact O-CB 3.25Å; L188-E192 PolarHBondContact O-N 2.91Å; L188-V223 HydrophobicContact CD2-CG1 3.6Å; L188-F253 HydrophobicContact CD2-CZ 3.9Å; L188-F253 HydrophobicContact CG-CE1 4.32Å; L188-F253 HydrophobicContact CG-CZ 4.09Å |
| 189 | C | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 177 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | F51 W185 V186 A191 E192 Y193 | F51-C189 HydrophobicContact CD2-CB 4.5Å; F51-C189 HydrophobicContact CE1-CB 4.13Å; F51-C189 HydrophobicContact CE2-CB 4.06Å; F51-C189 HydrophobicContact CZ-CB 3.87Å; F51-C189 WeakPolarHBondContact O-CB 3.39Å; W185-C189 PolarHBondContact O-N 2.87Å; W185-C189 PolarHBondContact O-SG 3.27Å; V186-C189 PolarHBondContact O-N 2.91Å; C189-A191 PolarHBondContact O-N 2.88Å; C189-E192 PolarHBondContact O-N 2.86Å; C189-Y193 WeakPolarHBondContact O-CB 3.4Å; C189-Y193 PolarHBondContact O-N 3.23Å |
| 190 | I | 92.4 | Very high | 89 | Confident | 3 Ų | 3 | 15.5 Ų | 15.5 | 2% | 0.015 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 176.9 | -70.2 | 167.9 | 0 | 0 | 0 | 111.4 | F51 V186 T187 L188 P257 W260 | F51-I190 HydrophobicContact CE2-CG1 3.98Å; F51-I190 HydrophobicContact CZ-CG1 3.91Å; V186-I190 HydrophobicContact CG1-CD1 3.79Å; V186-I190 HydrophobicContact CG1-CG1 4.47Å; V186-I190 VanDerWaalsContact O-CG1 3.24Å; V186-I190 WeakPolarHBondContact O-CG1 3.39Å; V186-I190 PolarHBondContact O-N 2.98Å; T187-I190 PolarHBondContact O-N 2.67Å; L188-I190 VanDerWaalsContact C-N 3.32Å; L188-I190 PolarHBondContact O-N 3.41Å; I190-P257 HydrophobicContact CD1-CB 3.88Å; I190-P257 HydrophobicContact CD1-CG 3.61Å; I190-W260 HydrophobicContact CB-CZ3 4.47Å; I190-W260 HydrophobicContact CG2-CE3 3.99Å; I190-W260 HydrophobicContact CG2-CZ3 3.74Å |
| 191 | A | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.1 | -43.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T187 L188 C189 S194 R219 V223 W260 | T187-A191 PolarHBondContact O-N 3.16Å; L188-A191 PolarHBondContact O-N 3.28Å; C189-A191 PolarHBondContact O-N 2.88Å; A191-S194 PolarHBondContact O-OG 3.05Å; A191-R219 HydrophobicContact CB-CB 4.04Å; A191-V223 HydrophobicContact CB-CG2 3.59Å; A191-W260 HydrophobicContact CB-CH2 4.25Å |
| 192 | E | 91.2 | Very high | 87.8 | Confident | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -74.5 | -31.5 | -173.3 | -168.8 | 163.1 | 174.6 | 0 | 0 | 113.8 | P54 M83 A151 L154 L188 C189 S194 L195 I196 | P54-E192 VanDerWaalsContact CB-OE2 3.26Å; P54-E192 WeakPolarHBondContact CB-OE2 3.31Å; P54-E192 HydrophobicContact CG-CB 4.02Å; P54-E192 HydrophobicContact CG-CG 3.9Å; P54-E192 WeakPolarHBondContact CG-OE2 3.43Å; M83-E192 HydrophobicContact CE-CG 4.49Å; M83-E192 VanDerWaalsContact CE-OE1 3.22Å; M83-E192 WeakPolarHBondContact CE-OE1 3.46Å; M83-E192 WeakPolarHBondContact CG-OE1 3.33Å; A151-E192 HydrophobicContact CB-CG 4.49Å; L154-E192 HydrophobicContact CD2-CB 4.03Å; L154-E192 HydrophobicContact CD2-CG 4.32Å; L188-E192 VanDerWaalsContact O-CB 3.31Å; L188-E192 WeakPolarHBondContact O-CB 3.25Å; L188-E192 PolarHBondContact O-N 2.91Å; C189-E192 PolarHBondContact O-N 2.86Å; E192-S194 PolarHBondContact O-N 3.22Å; E192-L195 WeakPolarHBondContact O-CB 3.49Å; E192-L195 PolarHBondContact O-N 3.27Å; E192-L195 VanDerWaalsContact O-N 3.08Å; E192-I196 HydrophobicContact CG-CD1 4.26Å |
| 193 | Y | 89.9 | Confident | 87.4 | Confident | 7 Ų | 7 | 13.3 Ų | 13.3 | 3% | 0.027 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -54.3 | -40.2 | 178.7 | -169.9 | -95.4 | 0 | 0 | 0 | 112.7 | G29 P31 L50 F51 C189 L195 I196 V197 | G29-Y193 WeakPolarHBondContact O-CD1 3.24Å; P31-Y193 HydrophobicContact CB-CE1 4.46Å; P31-Y193 VanDerWaalsContact CD-CE1 3.5Å; P31-Y193 HydrophobicContact CG-CD1 4.08Å; P31-Y193 HydrophobicContact CG-CD2 4.34Å; P31-Y193 HydrophobicContact CG-CE1 3.75Å; P31-Y193 HydrophobicContact CG-CE2 4.01Å; P31-Y193 HydrophobicContact CG-CG 4.33Å; L50-Y193 HydrophobicContact CB-CE2 4.35Å; F51-Y193 HydrophobicContact CB-CD2 3.93Å; F51-Y193 HydrophobicContact CB-CE2 3.98Å; F51-Y193 AromaticContact CD2-CD2 3.89Å; F51-Y193 HydrophobicContact CD2-CD2 3.89Å; F51-Y193 HydrophobicContact CD2-CE2 4.5Å; F51-Y193 HydrophobicContact CD2-CG 4.17Å; F51-Y193 HydrophobicContact CG-CD2 4.43Å; C189-Y193 WeakPolarHBondContact O-CB 3.4Å; C189-Y193 PolarHBondContact O-N 3.23Å; Y193-L195 PolarHBondContact O-N 3.47Å; Y193-I196 PolarHBondContact O-N 2.88Å; Y193-V197 HydrophobicContact CD1-CB 4.29Å; Y193-V197 HydrophobicContact CD2-CB 4.3Å; Y193-V197 HydrophobicContact CD2-CG2 4.18Å; Y193-V197 HydrophobicContact CE1-CB 3.94Å; Y193-V197 HydrophobicContact CE1-CG1 3.97Å; Y193-V197 HydrophobicContact CE2-CB 3.97Å; Y193-V197 HydrophobicContact CE2-CG1 4Å; Y193-V197 HydrophobicContact CE2-CG2 3.97Å; Y193-V197 HydrophobicContact CG-CB 4.49Å; Y193-V197 PolarHBondContact O-N 2.99Å; Y193-V197 WeakPolarHBondContact OH-CG1 3.31Å |
| 194 | S | 86.4 | Confident | 87.1 | Confident | 3 Ų | 3 | 10.1 Ų | 10.1 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.8 | -26.2 | -178.9 | 69.3 | 0 | 0 | 0 | 0 | 114.3 | A191 E192 P216 | A191-S194 PolarHBondContact O-OG 3.05Å; E192-S194 PolarHBondContact O-N 3.22Å; S194-P216 PolarHBondContact OG-O 3.15Å |
| 195 | L | 86.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -74.7 | -40.1 | 179.4 | -70.2 | 174.8 | 0 | 0 | 0 | 112.3 | H147 L150 A151 L154 E192 Y193 L217 P220 | H147-L195 HydrophobicContact CB-CD2 4.38Å; L150-L195 HydrophobicContact CB-CD1 4.25Å; L150-L195 HydrophobicContact CD2-CD1 4.14Å; L150-L195 HydrophobicContact CD2-CD2 3.93Å; L150-L195 HydrophobicContact CG-CD1 4.14Å; A151-L195 HydrophobicContact CB-CD1 4.38Å; L154-L195 HydrophobicContact CD2-CD1 4.19Å; E192-L195 WeakPolarHBondContact O-CB 3.49Å; E192-L195 PolarHBondContact O-N 3.27Å; E192-L195 VanDerWaalsContact O-N 3.08Å; Y193-L195 PolarHBondContact O-N 3.47Å; L195-L217 HydrophobicContact CD2-CD2 3.86Å; L195-P220 HydrophobicContact CD1-CB 4.19Å; L195-P220 HydrophobicContact CD1-CG 3.7Å; L195-P220 HydrophobicContact CD2-CG 3.86Å; L195-P220 HydrophobicContact CG-CG 3.64Å |
| 196 | I | 81.3 | Confident | 86.1 | Confident | 11 Ų | 11 | 11.7 Ų | 11.7 | 6% | 0.056 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -98.4 | -40.1 | -165.4 | -58.7 | 169.9 | 0 | 0 | 0 | 112 | M83 A87 V90 Q91 A151 E192 Y193 | M83-I196 HydrophobicContact CE-CD1 3.01Å; A87-I196 HydrophobicContact CB-CD1 3.99Å; A87-I196 HydrophobicContact CB-CG1 4.07Å; V90-I196 HydrophobicContact CB-CG2 4.03Å; V90-I196 HydrophobicContact CG1-CG2 3.9Å; V90-I196 HydrophobicContact CG2-CG2 4.34Å; Q91-I196 PolarHBondContact NE2-O 3.4Å; A151-I196 HydrophobicContact CB-CD1 3.9Å; A151-I196 HydrophobicContact CB-CG1 3.97Å; E192-I196 HydrophobicContact CG-CD1 4.26Å; Y193-I196 PolarHBondContact O-N 2.88Å |
| 197 | V | 82.8 | Confident | 85.4 | Confident | 3 Ų | 3 | 12.5 Ų | 12.5 | 2% | 0.018 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -111.9 | -98 | -164.3 | -171.8 | 0 | 0 | 0 | 0 | 110 | L50 I134 P136 Y193 | L50-V197 HydrophobicContact CB-CG2 4.11Å; L50-V197 HydrophobicContact CD1-CG1 4.35Å; L50-V197 HydrophobicContact CD1-CG2 4.03Å; I134-V197 HydrophobicContact CG2-CG1 3.98Å; I134-V197 WeakPolarHBondContact O-CG1 3.25Å; P136-V197 WeakPolarHBondContact CD-O 3.48Å; Y193-V197 HydrophobicContact CD1-CB 4.29Å; Y193-V197 HydrophobicContact CD2-CB 4.3Å; Y193-V197 HydrophobicContact CD2-CG2 4.18Å; Y193-V197 HydrophobicContact CE1-CB 3.94Å; Y193-V197 HydrophobicContact CE1-CG1 3.97Å; Y193-V197 HydrophobicContact CE2-CB 3.97Å; Y193-V197 HydrophobicContact CE2-CG1 4Å; Y193-V197 HydrophobicContact CE2-CG2 3.97Å; Y193-V197 HydrophobicContact CG-CB 4.49Å; Y193-V197 PolarHBondContact O-N 2.99Å; Y193-V197 WeakPolarHBondContact OH-CG1 3.31Å |
| 198 | N | 76.8 | Confident | 84.2 | Confident | 19 Ų | 19 | 13.9 Ų | 13.9 | 10% | 0.102 | 8% | 0.082 | C | C | . | . | trans | -127.9 | 149.9 | -179.3 | -161 | 7.2 | 0 | 0 | 0 | 110.6 | R32 | R32-N198 VanDerWaalsContact CZ-ND2 3.31Å; R32-N198 PolarHBondContact NE-ND2 3.24Å; R32-N198 PolarHBondContact NH2-ND2 2.87Å | ||
| 199 | T | 77.1 | Confident | 83.1 | Confident | 43 Ų | 43 | 18 Ų | 18 | 26% | 0.264 | 10% | 0.101 | S | C | . | . | trans | -85.6 | 140.8 | 174.9 | 43 | 0 | 0 | 0 | 0 | 110.9 | P216 | T199-P216 HydrophobicContact CG2-CB 3.84Å; T199-P216 HydrophobicContact CG2-CG 3.43Å; T199-P216 VanDerWaalsContact CG2-CG 3.43Å | ||
| 200 | A | 77.3 | Confident | 82.1 | Confident | 6 Ų | 6 | 19.8 Ų | 19.8 | 5% | 0.05 | 11% | 0.111 | C | C | . | . | trans | -68 | 149.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E202 | A200-E202 PolarHBondContact O-N 3.21Š| ||
| 201 | A | 75.8 | Confident | 81.2 | Confident | 19 Ų | 19 | 22.5 Ų | 22.5 | 16% | 0.157 | 13% | 0.127 | C | C | . | . | trans | -67.5 | 113 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | R22 T26 Y1168 | R22-A201 HydrophobicContact CG-CB 4.48Å; T26-A201 WeakPolarHBondContact CG2-O 3.18Å; T26-A201 PolarHBondContact OG1-O 2.78Å; A201-Y1168 HydrophobicContact CB-CE2 4.48Å; A201-Y1168 WeakPolarHBondContact O-CE2 3.3Å | ||
| 202 | E | 83.7 | Confident | 80.5 | Confident | 25 Ų | 25 | 30.1 Ų | 30.1 | 12% | 0.117 | 16% | 0.157 | C | C | . | . | trans | -88 | 144.1 | -177.9 | -62.7 | -64.2 | 174.9 | 0 | 0 | 111.6 | A200 A204 T205 T215 R219 Y1168 | A200-E202 PolarHBondContact O-N 3.21Å; E202-A204 VanDerWaalsContact C-N 3.29Å; E202-T205 WeakPolarHBondContact O-CG2 3.37Å; E202-T215 HydrophobicContact CG-CG2 4.38Å; E202-R219 VanDerWaalsContact CD-NH2 3.25Å; E202-R219 IonicContact OE1-CZ 2.75Å; E202-R219 IonicContact OE1-NE 3.95Å; E202-R219 PolarHBondContact OE1-NE 3.18Å; E202-R219 IonicContact OE1-NH2 3.22Å; E202-R219 PolarHBondContact OE1-NH2 3.07Å; E202-R219 IonicContact OE2-CZ 2.58Å; E202-R219 IonicContact OE2-NE 3.64Å; E202-R219 IonicContact OE2-NH2 3.48Å; E202-R219 PolarHBondContact OE2-NH2 3.28Å; E202-Y1168 VanDerWaalsContact O-CD2 3.3Å; E202-Y1168 WeakPolarHBondContact O-CD2 3.45Å | ||
| 203 | T | 85.5 | Confident | 79.9 | Confident | 10 Ų | 10 | 31 Ų | 31 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -72.1 | -26 | 172 | 47.5 | 0 | 0 | 0 | 0 | 112.3 | T26 W260 A261 G263 Y1168 | T26-T203 HydrophobicContact CG2-CG2 4.39Å; T203-W260 PolarHBondContact OG1-O 2.86Å; T203-W260 VanDerWaalsContact OG1-O 3.07Å; T203-A261 WeakPolarHBondContact CG2-O 3.24Å; T203-A261 PolarHBondContact OG1-O 3.27Å; T203-G263 WeakPolarHBondContact OG1-CA 3.01Å; T203-G263 PolarHBondContact OG1-N 3.08Å; T203-G263 VanDerWaalsContact OG1-N 3.12Å; T203-Y1168 HydrophobicContact CG2-CD1 3.95Å; T203-Y1168 HydrophobicContact CG2-CD2 3.82Å; T203-Y1168 HydrophobicContact CG2-CE1 3.67Å; T203-Y1168 HydrophobicContact CG2-CE2 3.52Å; T203-Y1168 HydrophobicContact CG2-CG 4.01Å; T203-Y1168 VanDerWaalsContact CG2-CZ 3.43Å |
| 204 | A | 87.6 | Confident | 79.6 | Confident | 10 Ų | 10 | 32.7 Ų | 32.7 | 8% | 0.083 | 17% | 0.17 | C | C | . | . | trans | -97.8 | 88 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | E202 L265 F625 | E202-A204 VanDerWaalsContact C-N 3.29Å; A204-L265 WeakPolarHBondContact CB-O 3.41Å; A204-F625 HydrophobicContact CB-CB 4.19Å; A204-F625 HydrophobicContact CB-CD1 3.49Å; A204-F625 VanDerWaalsContact CB-CD1 3.49Å; A204-F625 HydrophobicContact CB-CE1 4.05Å; A204-F625 HydrophobicContact CB-CG 3.96Å | ||
| 205 | T | 83.6 | Confident | 79.5 | Confident | 17 Ų | 17 | 34.7 Ų | 34.7 | 10% | 0.104 | 18% | 0.183 | C | C | . | . | trans | -108.2 | 124 | 177 | 44 | 0 | 0 | 0 | 0 | 110.6 | E202 F625 S1163 L1167 | E202-T205 WeakPolarHBondContact O-CG2 3.37Å; T205-F625 WeakPolarHBondContact O-CZ 3.39Å; T205-S1163 PolarHBondContact O-OG 3.26Å; T205-L1167 WeakPolarHBondContact OG1-CB 3.41Å; T205-L1167 WeakPolarHBondContact OG1-CD1 3.39Å | ||
| 206 | F | 83 | Confident | 79.5 | Confident | 16 Ų | 16 | 34.9 Ų | 34.9 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -101.4 | -45.4 | 177.6 | -175.4 | -118.4 | 0 | 0 | 0 | 112.2 | P267 D269 A270 L273 F625 R627 S631 P633 | F206-P267 HydrophobicContact CB-CG 3.69Å; F206-D269 WeakPolarHBondContact CD1-OD2 3.44Å; F206-A270 HydrophobicContact CB-CB 3.93Å; F206-A270 HydrophobicContact CD1-CB 4Å; F206-A270 HydrophobicContact CD2-CB 4.15Å; F206-A270 HydrophobicContact CG-CB 3.77Å; F206-L273 HydrophobicContact CE1-CD1 4.07Å; F206-F625 HydrophobicContact CB-CE2 4.14Å; F206-F625 HydrophobicContact CB-CZ 4.24Å; F206-F625 HydrophobicContact CD2-CE2 4.13Å; F206-F625 HydrophobicContact CD2-CZ 4.43Å; F206-R627 HydrophobicContact CD2-CB 4.42Å; F206-R627 HydrophobicContact CE2-CB 4.24Å; F206-S631 VanDerWaalsContact CE2-O 3.23Å; F206-S631 WeakPolarHBondContact CE2-O 3.44Å; F206-P633 HydrophobicContact CD1-CB 4.02Å; F206-P633 HydrophobicContact CE1-CB 3.62Å; F206-P633 HydrophobicContact CE1-CG 4.42Å; F206-P633 HydrophobicContact CZ-CB 4.11Å; F206-P633 WeakPolarHBondContact O-CG 3.46Å |
| 207 | Q | 78.6 | Confident | 79.9 | Confident | 67 Ų | 67 | 36 Ų | 36 | 31% | 0.313 | 19% | 0.19 | S | C | . | . | trans | -101.4 | 136.9 | 170.3 | -71.4 | 178.5 | 48.9 | 0 | 0 | 109.9 | Q209 D269 P633 | Q207-Q209 VanDerWaalsContact C-N 3.27Å; Q207-Q209 PolarHBondContact O-N 2.93Å; Q207-D269 WeakPolarHBondContact CG-OD2 3.43Å; Q207-D269 PolarHBondContact NE2-OD2 2.86Å; Q207-P633 HydrophobicContact CG-CB 3.45Å; Q207-P633 VanDerWaalsContact CG-CB 3.45Å; Q207-P633 HydrophobicContact CG-CG 3.66Å | ||
| 208 | A | 70.3 | Confident | 80.2 | Confident | 31 Ų | 31 | 36.3 Ų | 36.3 | 26% | 0.256 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -69.3 | -28.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1167 P1197 | A208-L1167 HydrophobicContact CB-CD2 3.98Å; A208-P1197 HydrophobicContact CB-CG 4.01Å |
| 209 | Q | 70 | Confident | 80.9 | Confident | 86 Ų | 86 | 35.5 Ų | 35.5 | 40% | 0.402 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -121.7 | 127.2 | -179.5 | -67.2 | 179.9 | -8 | 0 | 0 | 110.6 | A110 N112 Q207 T211 | A110-Q209 HydrophobicContact CB-CB 4.48Å; A110-Q209 HydrophobicContact CB-CG 4.49Å; N112-Q209 PolarHBondContact OD1-NE2 3.01Å; Q207-Q209 VanDerWaalsContact C-N 3.27Å; Q207-Q209 PolarHBondContact O-N 2.93Å; Q209-T211 PolarHBondContact O-N 3.3Å |
| 210 | D | 73.8 | Confident | 81.7 | Confident | 39 Ų | 39 | 33.4 Ų | 33.4 | 21% | 0.209 | 18% | 0.175 | C | C | . | . | trans | -87.3 | 84.6 | 174.4 | -168.1 | 2.4 | 0 | 0 | 0 | 110.6 | E213 I214 T215 | D210-E213 VanDerWaalsContact OD1-CA 3.3Å; D210-E213 WeakPolarHBondContact OD1-CA 3.25Å; D210-E213 PolarHBondContact OD1-N 3.37Å; D210-E213 VanDerWaalsContact OD2-CA 3.31Å; D210-E213 WeakPolarHBondContact OD2-CA 3.23Å; D210-I214 PolarHBondContact OD1-N 2.95Å; D210-I214 PolarHBondContact OD2-N 2.59Å; D210-I214 VanDerWaalsContact OD2-N 3.14Å; D210-T215 VanDerWaalsContact CG-OG1 3.26Å; D210-T215 WeakPolarHBondContact OD2-CB 3.42Å; D210-T215 PolarHBondContact OD2-N 3.02Å; D210-T215 PolarHBondContact OD2-OG1 3.43Å | ||
| 211 | T | 71.7 | Confident | 82.4 | Confident | 59 Ų | 59 | 35.5 Ų | 35.5 | 36% | 0.362 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -68.8 | -31.4 | -176.4 | 49 | 0 | 0 | 0 | 0 | 113.6 | Q209 | Q209-T211 PolarHBondContact O-N 3.3Š|
| 212 | Y | 77.5 | Confident | 83.2 | Confident | 160 Ų | 160 | 35.4 Ų | 35.4 | 63% | 0.627 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -111.5 | 5.6 | -173.1 | -63.2 | -71.4 | 0 | 0 | 0 | 113.8 | N143 I214 | N143-Y212 PolarHBondContact ND2-O 3.2Å; Y212-I214 HydrophobicContact CD2-CD1 4.32Å |
| 213 | E | 79.9 | Confident | 83.7 | Confident | 21 Ų | 21 | 34.2 Ų | 34.2 | 10% | 0.098 | 18% | 0.175 | C | C | . | . | trans | 56.7 | 47 | -174.4 | -51.6 | 178.8 | 141.9 | 0 | 0 | 112.4 | R139 F140 N143 D210 P216 | R139-E213 WeakPolarHBondContact CB-OE1 3.48Å; R139-E213 WeakPolarHBondContact CD-OE1 3.49Å; R139-E213 WeakPolarHBondContact CG-OE1 3.4Å; R139-E213 PolarHBondContact N-OE1 3.35Å; F140-E213 HydrophobicContact CD2-CG 4.39Å; N143-E213 PolarHBondContact ND2-OE2 3.28Å; D210-E213 VanDerWaalsContact OD1-CA 3.3Å; D210-E213 WeakPolarHBondContact OD1-CA 3.25Å; D210-E213 PolarHBondContact OD1-N 3.37Å; D210-E213 VanDerWaalsContact OD2-CA 3.31Å; D210-E213 WeakPolarHBondContact OD2-CA 3.23Å; E213-P216 WeakPolarHBondContact O-CD 3.29Å | ||
| 214 | I | 82.5 | Confident | 84.2 | Confident | 41 Ų | 41 | 36.1 Ų | 36.1 | 21% | 0.21 | 18% | 0.182 | C | C | . | . | trans | -82.1 | -27.5 | -179.6 | -65.6 | 165.6 | 0 | 0 | 0 | 111.3 | D210 Y212 P216 L217 L268 | D210-I214 PolarHBondContact OD1-N 2.95Å; D210-I214 PolarHBondContact OD2-N 2.59Å; D210-I214 VanDerWaalsContact OD2-N 3.14Å; Y212-I214 HydrophobicContact CD2-CD1 4.32Å; I214-P216 VanDerWaalsContact C-CD 3.44Å; I214-L217 WeakPolarHBondContact O-CB 3.46Å; I214-L217 PolarHBondContact O-N 3.15Å; I214-L268 HydrophobicContact CG2-CB 3.82Å; I214-L268 HydrophobicContact CG2-CD2 3.79Å; I214-L268 HydrophobicContact CG2-CG 4.2Å | ||
| 215 | T | 84.1 | Confident | 84.4 | Confident | 45 Ų | 45 | 39.3 Ų | 39.3 | 28% | 0.276 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -54.8 | -43.4 | -177.2 | -47.7 | 0 | 0 | 0 | 0 | 113.6 | E202 D210 L217 T218 | E202-T215 HydrophobicContact CG-CG2 4.38Å; D210-T215 VanDerWaalsContact CG-OG1 3.26Å; D210-T215 WeakPolarHBondContact OD2-CB 3.42Å; D210-T215 PolarHBondContact OD2-N 3.02Å; D210-T215 PolarHBondContact OD2-OG1 3.43Å; T215-L217 PolarHBondContact O-N 3.47Å; T215-L217 VanDerWaalsContact O-N 3.11Å; T215-T218 WeakPolarHBondContact O-CB 3.45Å; T215-T218 WeakPolarHBondContact O-CG2 3.3Å; T215-T218 PolarHBondContact O-N 2.9Å; T215-T218 PolarHBondContact O-OG1 2.93Å |
| 216 | P | 87.4 | Confident | 84.9 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -54.5 | -26 | 173.3 | -22.9 | 29.1 | 0 | 0 | 0 | 115.4 | S194 T199 E213 I214 P220 | S194-P216 PolarHBondContact OG-O 3.15Å; T199-P216 HydrophobicContact CG2-CB 3.84Å; T199-P216 HydrophobicContact CG2-CG 3.43Å; T199-P216 VanDerWaalsContact CG2-CG 3.43Å; E213-P216 WeakPolarHBondContact O-CD 3.29Å; I214-P216 VanDerWaalsContact C-CD 3.44Å; P216-P220 WeakPolarHBondContact O-CD 3.2Å |
| 217 | L | 89.2 | Confident | 85.5 | Confident | 34 Ų | 34 | 38.9 Ų | 38.9 | 18% | 0.178 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -86.7 | -11.6 | -175 | -59.3 | 175 | 0 | 0 | 0 | 112.9 | L150 L195 I214 T215 L221 | L150-L217 HydrophobicContact CD2-CD2 3.61Å; L195-L217 HydrophobicContact CD2-CD2 3.86Å; I214-L217 WeakPolarHBondContact O-CB 3.46Å; I214-L217 PolarHBondContact O-N 3.15Å; T215-L217 PolarHBondContact O-N 3.47Å; T215-L217 VanDerWaalsContact O-N 3.11Å; L217-L221 WeakPolarHBondContact O-CB 3.33Å; L217-L221 PolarHBondContact O-N 2.98Å; L217-L221 VanDerWaalsContact O-N 3.09Å |
| 218 | T | 89.6 | Confident | 86.2 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -53.3 | -171.5 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | T215 L221 Y222 P267 L268 | T215-T218 WeakPolarHBondContact O-CB 3.45Å; T215-T218 WeakPolarHBondContact O-CG2 3.3Å; T215-T218 PolarHBondContact O-N 2.9Å; T215-T218 PolarHBondContact O-OG1 2.93Å; T218-L221 WeakPolarHBondContact O-CB 2.89Å; T218-L221 PolarHBondContact O-N 3.1Å; T218-Y222 WeakPolarHBondContact O-CD2 3.44Å; T218-P267 HydrophobicContact CG2-CB 4.16Å; T218-L268 HydrophobicContact CG2-CB 4.34Å |
| 219 | R | 91.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.7 | -46.1 | 179.2 | -56.2 | -177.5 | -178 | -141.3 | -5.2 | 112.8 | T26 A191 E202 L221 Y222 V223 W260 | T26-R219 PolarHBondContact O-NH1 3.33Å; T26-R219 PolarHBondContact O-NH2 3.43Å; A191-R219 HydrophobicContact CB-CB 4.04Å; E202-R219 VanDerWaalsContact CD-NH2 3.25Å; E202-R219 IonicContact OE1-CZ 2.75Å; E202-R219 IonicContact OE1-NE 3.95Å; E202-R219 PolarHBondContact OE1-NE 3.18Å; E202-R219 IonicContact OE1-NH2 3.22Å; E202-R219 PolarHBondContact OE1-NH2 3.07Å; E202-R219 IonicContact OE2-CZ 2.58Å; E202-R219 IonicContact OE2-NE 3.64Å; E202-R219 IonicContact OE2-NH2 3.48Å; E202-R219 PolarHBondContact OE2-NH2 3.28Å; R219-L221 VanDerWaalsContact C-N 3.28Å; R219-L221 PolarHBondContact O-N 3.21Å; R219-Y222 PolarHBondContact O-N 3.42Å; R219-V223 PolarHBondContact O-N 3.43Å; R219-W260 HydrophobicContact CB-CH2 4.05Å; R219-W260 HydrophobicContact CB-CZ2 3.75Å; R219-W260 HydrophobicContact CG-CD2 4.03Å; R219-W260 HydrophobicContact CG-CE3 4.36Å; R219-W260 HydrophobicContact CG-CG 4.48Å; R219-W260 HydrophobicContact CG-CH2 4.48Å; R219-W260 HydrophobicContact CG-CZ2 4.11Å |
| 220 | P | 92.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.9 | -39.8 | 174.1 | -29 | 36.4 | 0 | 0 | 0 | 113.8 | L150 L154 L195 P216 Y222 V223 F224 | L150-P220 HydrophobicContact CD2-CB 4.41Å; L154-P220 HydrophobicContact CD2-CB 4.08Å; L154-P220 HydrophobicContact CD2-CG 4.35Å; L195-P220 HydrophobicContact CD1-CB 4.19Å; L195-P220 HydrophobicContact CD1-CG 3.7Å; L195-P220 HydrophobicContact CD2-CG 3.86Å; L195-P220 HydrophobicContact CG-CG 3.64Å; P216-P220 WeakPolarHBondContact O-CD 3.2Å; P220-Y222 PolarHBondContact O-N 3.35Å; P220-V223 PolarHBondContact O-N 3.01Å; P220-V223 VanDerWaalsContact O-N 3.16Å; P220-F224 HydrophobicContact CB-CD2 4.42Å; P220-F224 HydrophobicContact CB-CE2 4.21Å; P220-F224 WeakPolarHBondContact O-CD2 3.47Å; P220-F224 PolarHBondContact O-N 3.38Å |
| 221 | L | 92.6 | Very high | 89 | Confident | 49 Ų | 49 | 34.6 Ų | 34.6 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -55.2 | -49.2 | 178.3 | -179.7 | 80.7 | 0 | 0 | 0 | 112 | L217 T218 R219 V223 F224 I225 L268 L271 | L217-L221 WeakPolarHBondContact O-CB 3.33Å; L217-L221 PolarHBondContact O-N 2.98Å; L217-L221 VanDerWaalsContact O-N 3.09Å; T218-L221 WeakPolarHBondContact O-CB 2.89Å; T218-L221 PolarHBondContact O-N 3.1Å; R219-L221 VanDerWaalsContact C-N 3.28Å; R219-L221 PolarHBondContact O-N 3.21Å; L221-V223 VanDerWaalsContact C-N 3.3Å; L221-V223 PolarHBondContact O-N 3.18Å; L221-F224 PolarHBondContact O-N 2.86Å; L221-I225 HydrophobicContact CG-CD1 4.26Å; L221-I225 WeakPolarHBondContact O-CG1 3.24Å; L221-I225 PolarHBondContact O-N 3.08Å; L221-L268 HydrophobicContact CD1-CD1 4.1Å; L221-L268 HydrophobicContact CD2-CD1 3.41Å; L221-L268 VanDerWaalsContact CD2-CD1 3.41Å; L221-L268 HydrophobicContact CG-CD1 4.32Å; L221-L271 HydrophobicContact CD2-CD2 3.81Å |
| 222 | Y | 92.4 | Very high | 89.9 | Confident | 18 Ų | 18 | 33.7 Ų | 33.7 | 7% | 0.071 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.3 | -40.2 | 179.1 | -72.2 | -72.1 | 0 | 0 | 0 | 111.5 | T218 R219 P220 F224 I225 F226 W260 L265 P266 L271 | T218-Y222 WeakPolarHBondContact O-CD2 3.44Å; R219-Y222 PolarHBondContact O-N 3.42Å; P220-Y222 PolarHBondContact O-N 3.35Å; Y222-F224 VanDerWaalsContact C-N 3.34Å; Y222-F224 PolarHBondContact O-N 3.02Å; Y222-I225 HydrophobicContact CD1-CD1 4.4Å; Y222-I225 PolarHBondContact O-N 2.77Å; Y222-F226 WeakPolarHBondContact O-CD2 3.34Å; Y222-F226 PolarHBondContact O-N 2.69Å; Y222-W260 AromaticContact CD2-NE1 3.71Å; Y222-L265 HydrophobicContact CD1-CD2 4.27Å; Y222-L265 HydrophobicContact CD2-CD1 4.46Å; Y222-L265 HydrophobicContact CE1-CB 4.41Å; Y222-L265 HydrophobicContact CE1-CD2 3.9Å; Y222-L265 HydrophobicContact CE2-CB 4.01Å; Y222-L265 HydrophobicContact CG-CD1 4.42Å; Y222-P266 WeakPolarHBondContact CE2-O 3.43Å; Y222-P266 WeakPolarHBondContact OH-CD 3.33Å; Y222-P266 VanDerWaalsContact OH-CG 3.3Å; Y222-P266 WeakPolarHBondContact OH-CG 3.32Å; Y222-P266 PolarHBondContact OH-O 3.01Å; Y222-L271 HydrophobicContact CE1-CD2 4.42Å |
| 223 | V | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 174.8 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | L154 L188 A191 R219 P220 L221 I225 F226 I227 F253 W260 | L154-V223 HydrophobicContact CD1-CB 4.01Å; L154-V223 HydrophobicContact CD1-CG1 3.56Å; L188-V223 HydrophobicContact CD2-CG1 3.6Å; A191-V223 HydrophobicContact CB-CG2 3.59Å; R219-V223 PolarHBondContact O-N 3.43Å; P220-V223 PolarHBondContact O-N 3.01Å; P220-V223 VanDerWaalsContact O-N 3.16Å; L221-V223 VanDerWaalsContact C-N 3.3Å; L221-V223 PolarHBondContact O-N 3.18Å; V223-I225 VanDerWaalsContact C-N 3.31Å; V223-I225 PolarHBondContact O-N 3.04Å; V223-F226 PolarHBondContact O-N 3.45Å; V223-I227 HydrophobicContact CG1-CD1 3.73Å; V223-I227 HydrophobicContact CG1-CG1 4.33Å; V223-I227 VanDerWaalsContact O-CG1 3.32Å; V223-I227 WeakPolarHBondContact O-CG1 3.41Å; V223-I227 PolarHBondContact O-N 2.94Å; V223-F253 HydrophobicContact CB-CE2 4.28Å; V223-F253 HydrophobicContact CG1-CE2 3.94Å; V223-F253 HydrophobicContact CG1-CZ 4.09Å; V223-F253 HydrophobicContact CG2-CE2 3.99Å; V223-F253 HydrophobicContact CG2-CZ 4.25Å; V223-W260 HydrophobicContact CG2-CH2 4.4Å |
| 224 | F | 94.9 | Very high | 90.7 | Very high | 49 Ų | 49 | 28.8 Ų | 28.8 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -36.1 | 176 | -76.1 | -59.8 | 0 | 0 | 0 | 113.3 | L150 V153 L154 P220 L221 Y222 F226 I227 A228 | L150-F224 HydrophobicContact CD1-CD2 4.45Å; L150-F224 HydrophobicContact CD1-CE2 3.39Å; L150-F224 HydrophobicContact CD1-CZ 3.58Å; L150-F224 HydrophobicContact CD2-CE2 4.25Å; L150-F224 HydrophobicContact CG-CE2 3.79Å; L150-F224 HydrophobicContact CG-CZ 4.12Å; V153-F224 HydrophobicContact CG1-CE1 4.03Å; V153-F224 HydrophobicContact CG1-CZ 4.19Å; L154-F224 HydrophobicContact CB-CE1 4.39Å; L154-F224 HydrophobicContact CB-CE2 4.38Å; L154-F224 HydrophobicContact CB-CZ 3.76Å; L154-F224 HydrophobicContact CD1-CD1 4.34Å; L154-F224 HydrophobicContact CD1-CD2 4.33Å; L154-F224 HydrophobicContact CD1-CE1 3.92Å; L154-F224 HydrophobicContact CD1-CE2 3.89Å; L154-F224 HydrophobicContact CD1-CZ 3.69Å; L154-F224 HydrophobicContact CG-CZ 4.32Å; P220-F224 HydrophobicContact CB-CD2 4.42Å; P220-F224 HydrophobicContact CB-CE2 4.21Å; P220-F224 WeakPolarHBondContact O-CD2 3.47Å; P220-F224 PolarHBondContact O-N 3.38Å; L221-F224 PolarHBondContact O-N 2.86Å; Y222-F224 VanDerWaalsContact C-N 3.34Å; Y222-F224 PolarHBondContact O-N 3.02Å; F224-F226 VanDerWaalsContact C-N 3.33Å; F224-F226 PolarHBondContact O-N 3.3Å; F224-I227 PolarHBondContact O-N 3.12Å; F224-A228 VanDerWaalsContact O-CB 3.3Å; F224-A228 WeakPolarHBondContact O-CB 3.43Å; F224-A228 PolarHBondContact O-N 3.38Å |
| 225 | I | 92.5 | Very high | 91 | Very high | 78 Ų | 78 | 34.3 Ų | 34.3 | 40% | 0.4 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 175.4 | -68.9 | 167.1 | 0 | 0 | 0 | 110.6 | L221 Y222 V223 A228 V229 | L221-I225 HydrophobicContact CG-CD1 4.26Å; L221-I225 WeakPolarHBondContact O-CG1 3.24Å; L221-I225 PolarHBondContact O-N 3.08Å; Y222-I225 HydrophobicContact CD1-CD1 4.4Å; Y222-I225 PolarHBondContact O-N 2.77Å; V223-I225 VanDerWaalsContact C-N 3.31Å; V223-I225 PolarHBondContact O-N 3.04Å; I225-A228 PolarHBondContact O-N 3.35Å; I225-V229 PolarHBondContact O-N 3.38Å |
| 226 | F | 94.2 | Very high | 91 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.3 | -42.9 | 179.5 | -79.7 | -120.5 | 0 | 0 | 0 | 111.6 | Y222 V223 F224 A228 V229 D230 L249 V252 F253 L256 | Y222-F226 WeakPolarHBondContact O-CD2 3.34Å; Y222-F226 PolarHBondContact O-N 2.69Å; V223-F226 PolarHBondContact O-N 3.45Å; F224-F226 VanDerWaalsContact C-N 3.33Å; F224-F226 PolarHBondContact O-N 3.3Å; F226-A228 VanDerWaalsContact C-N 3.3Å; F226-A228 PolarHBondContact O-N 2.98Å; F226-V229 PolarHBondContact O-N 2.9Å; F226-D230 PolarHBondContact O-N 3.38Å; F226-L249 HydrophobicContact CD1-CB 3.84Å; F226-L249 HydrophobicContact CD1-CD2 4.08Å; F226-L249 HydrophobicContact CD1-CG 4.48Å; F226-L249 WeakPolarHBondContact CD1-O 3.18Å; F226-L249 HydrophobicContact CE1-CB 4.05Å; F226-L249 HydrophobicContact CE1-CD2 3.7Å; F226-L249 HydrophobicContact CE1-CG 4.47Å; F226-L249 WeakPolarHBondContact CE1-O 3.34Å; F226-L249 HydrophobicContact CZ-CD2 3.97Å; F226-V252 HydrophobicContact CE1-CB 3.97Å; F226-V252 HydrophobicContact CE1-CG1 3.97Å; F226-V252 HydrophobicContact CZ-CB 4.31Å; F226-V252 HydrophobicContact CZ-CG1 3.8Å; F226-F253 HydrophobicContact CB-CD2 4.02Å; F226-F253 HydrophobicContact CB-CE2 4.41Å; F226-F253 HydrophobicContact CD1-CB 3.93Å; F226-F253 AromaticContact CD1-CD2 3.75Å; F226-F253 HydrophobicContact CD1-CD2 3.75Å; F226-F253 HydrophobicContact CD1-CG 4.34Å; F226-F253 HydrophobicContact CE1-CB 4.12Å; F226-F253 HydrophobicContact CE1-CD2 4.41Å; F226-F253 AromaticContact CG-CD2 3.97Å; F226-F253 HydrophobicContact CG-CD2 3.97Å; F226-L256 HydrophobicContact CE2-CD1 4.36Å; F226-L256 HydrophobicContact CE2-CD2 4.22Å; F226-L256 HydrophobicContact CZ-CD1 4.38Å; F226-L256 HydrophobicContact CZ-CD2 4.17Å; F226-L256 HydrophobicContact CZ-CG 4.41Å |
| 227 | I | 94.1 | Very high | 90.3 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.5 | -42.9 | 174.4 | -68.5 | 172 | 0 | 0 | 0 | 110.4 | L154 F157 Y161 V223 F224 V229 D230 L231 | L154-I227 HydrophobicContact CD1-CD1 4.49Å; F157-I227 HydrophobicContact CB-CD1 4.03Å; F157-I227 HydrophobicContact CB-CG2 3.98Å; F157-I227 HydrophobicContact CD1-CG2 4.49Å; F157-I227 HydrophobicContact CG-CG2 4.42Å; Y161-I227 HydrophobicContact CD1-CG1 4.46Å; Y161-I227 HydrophobicContact CD2-CG1 4.13Å; Y161-I227 HydrophobicContact CG-CG1 3.97Å; V223-I227 HydrophobicContact CG1-CD1 3.73Å; V223-I227 HydrophobicContact CG1-CG1 4.33Å; V223-I227 VanDerWaalsContact O-CG1 3.32Å; V223-I227 WeakPolarHBondContact O-CG1 3.41Å; V223-I227 PolarHBondContact O-N 2.94Å; F224-I227 PolarHBondContact O-N 3.12Å; I227-V229 VanDerWaalsContact C-N 3.3Å; I227-V229 PolarHBondContact O-N 3.26Å; I227-D230 PolarHBondContact O-N 3.32Å; I227-L231 HydrophobicContact CG2-CD1 3.86Å; I227-L231 HydrophobicContact CG2-CG 4.11Å; I227-L231 WeakPolarHBondContact O-CG 3.4Å; I227-L231 PolarHBondContact O-N 2.7Å |
| 228 | A | 93.3 | Very high | 89.5 | Confident | 55 Ų | 55 | 46.3 Ų | 46.3 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.8 | -37.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F224 I225 F226 L231 A232 | F224-A228 VanDerWaalsContact O-CB 3.3Å; F224-A228 WeakPolarHBondContact O-CB 3.43Å; F224-A228 PolarHBondContact O-N 3.38Å; I225-A228 PolarHBondContact O-N 3.35Å; F226-A228 VanDerWaalsContact C-N 3.3Å; F226-A228 PolarHBondContact O-N 2.98Å; A228-L231 PolarHBondContact O-N 3.32Å; A228-A232 WeakPolarHBondContact O-CB 3.21Å; A228-A232 PolarHBondContact O-N 3.38Å |
| 229 | V | 91.3 | Very high | 89.2 | Confident | 39 Ų | 39 | 48.7 Ų | 48.7 | 24% | 0.236 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69 | -40.3 | 176.5 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | I225 F226 I227 A232 D233 L242 L249 | I225-V229 PolarHBondContact O-N 3.38Å; F226-V229 PolarHBondContact O-N 2.9Å; I227-V229 VanDerWaalsContact C-N 3.3Å; I227-V229 PolarHBondContact O-N 3.26Å; V229-A232 WeakPolarHBondContact O-CB 3.47Å; V229-A232 PolarHBondContact O-N 2.9Å; V229-D233 PolarHBondContact O-N 3.33Å; V229-L242 HydrophobicContact CG1-CD1 4.04Å; V229-L249 HydrophobicContact CB-CD1 3.67Å; V229-L249 HydrophobicContact CG1-CD1 3.55Å; V229-L249 HydrophobicContact CG2-CD1 3.8Å |
| 230 | D | 91.2 | Very high | 88.9 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 175.2 | -179.2 | 65.1 | 0 | 0 | 0 | 112.2 | Y161 R166 F226 I227 A232 D233 R234 S246 H250 | Y161-D230 HydrophobicContact CD2-CB 3.71Å; Y161-D230 HydrophobicContact CE2-CB 3.64Å; R166-D230 IonicContact CZ-OD1 3.57Å; R166-D230 IonicContact NE-OD1 2.67Å; R166-D230 PolarHBondContact NE-OD1 3.15Å; R166-D230 IonicContact NH2-OD1 3.34Å; R166-D230 PolarHBondContact NH2-OD1 3.23Å; F226-D230 PolarHBondContact O-N 3.38Å; I227-D230 PolarHBondContact O-N 3.32Å; D230-A232 VanDerWaalsContact C-N 3.33Å; D230-D233 WeakPolarHBondContact O-CB 3.5Å; D230-D233 PolarHBondContact O-N 2.87Å; D230-R234 VanDerWaalsContact O-CG 3.31Å; D230-R234 WeakPolarHBondContact O-CG 3.3Å; D230-R234 PolarHBondContact O-N 3.24Å; D230-R234 IonicContact OD1-NE 3.27Å; D230-R234 IonicContact OD2-CZ 3.37Å; D230-R234 VanDerWaalsContact OD2-CZ 3.22Å; D230-R234 IonicContact OD2-NE 3.78Å; D230-R234 PolarHBondContact OD2-NE 2.91Å; D230-R234 IonicContact OD2-NH2 3.38Å; D230-R234 PolarHBondContact OD2-NH2 3.23Å; D230-S246 PolarHBondContact OD1-OG 2.97Å; D230-S246 VanDerWaalsContact OD1-OG 3.11Å; D230-H250 IonicContact OD1-CE1 3.8Å |
| 231 | L | 91 | Very high | 88.6 | Confident | 36 Ų | 36 | 60.9 Ų | 60.9 | 19% | 0.188 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 171.8 | -69.7 | 176.4 | 0 | 0 | 0 | 111.1 | F157 W160 I227 A228 D233 R234 F235 | F157-L231 HydrophobicContact CD1-CD1 4.21Å; F157-L231 HydrophobicContact CE1-CD1 4.11Å; W160-L231 HydrophobicContact CE3-CD2 3.89Å; W160-L231 HydrophobicContact CH2-CD2 4.24Å; W160-L231 HydrophobicContact CZ3-CD2 3.66Å; I227-L231 HydrophobicContact CG2-CD1 3.86Å; I227-L231 HydrophobicContact CG2-CG 4.11Å; I227-L231 WeakPolarHBondContact O-CG 3.4Å; I227-L231 PolarHBondContact O-N 2.7Å; A228-L231 PolarHBondContact O-N 3.32Å; L231-D233 VanDerWaalsContact C-N 3.3Å; L231-D233 PolarHBondContact O-N 3.48Å; L231-R234 PolarHBondContact O-N 3.06Å; L231-R234 VanDerWaalsContact O-N 3.17Å; L231-F235 HydrophobicContact CB-CD2 4.44Å; L231-F235 HydrophobicContact CB-CE2 4.48Å; L231-F235 HydrophobicContact CD2-CE2 4.21Å; L231-F235 WeakPolarHBondContact O-CD2 3.48Å; L231-F235 PolarHBondContact O-N 3.01Å |
| 232 | A | 90 | Very high | 88.3 | Confident | 39 Ų | 39 | 60.3 Ų | 60.3 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | A228 V229 D230 R234 F235 S236 L242 | A228-A232 WeakPolarHBondContact O-CB 3.21Å; A228-A232 PolarHBondContact O-N 3.38Å; V229-A232 WeakPolarHBondContact O-CB 3.47Å; V229-A232 PolarHBondContact O-N 2.9Å; D230-A232 VanDerWaalsContact C-N 3.33Å; A232-R234 VanDerWaalsContact C-N 3.35Å; A232-F235 PolarHBondContact O-N 2.85Å; A232-S236 WeakPolarHBondContact O-CB 3.36Å; A232-S236 PolarHBondContact O-N 3.1Å; A232-S236 PolarHBondContact O-OG 2.82Å; A232-L242 HydrophobicContact CB-CD2 4.27Å |
| 233 | D | 89.2 | Confident | 88.1 | Confident | 20 Ų | 20 | 63.4 Ų | 63.4 | 11% | 0.107 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 174.6 | -173.6 | 61.9 | 0 | 0 | 0 | 112.2 | R166 V229 D230 L231 L242 Q243 | R166-D233 IonicContact CZ-OD2 2.72Å; R166-D233 IonicContact NH1-OD2 3.65Å; R166-D233 IonicContact NH2-OD2 2.97Å; R166-D233 PolarHBondContact NH2-OD2 3.44Å; V229-D233 PolarHBondContact O-N 3.33Å; D230-D233 WeakPolarHBondContact O-CB 3.5Å; D230-D233 PolarHBondContact O-N 2.87Å; L231-D233 VanDerWaalsContact C-N 3.3Å; L231-D233 PolarHBondContact O-N 3.48Å; D233-L242 HydrophobicContact CB-CD2 4.28Å; D233-L242 HydrophobicContact CB-CG 3.96Å; D233-Q243 WeakPolarHBondContact OD1-CA 3.24Å; D233-Q243 PolarHBondContact OD1-N 3.5Å |
| 234 | R | 86.7 | Confident | 87.8 | Confident | 59 Ų | 59 | 68.3 Ų | 68.3 | 22% | 0.223 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 178.8 | -69.9 | 173.6 | -167.2 | -124.8 | 12.5 | 113.4 | E72 W160 D230 L231 A232 | E72-R234 IonicContact OE2-NH1 3.56Å; W160-R234 PolarHBondContact O-NH2 3.36Å; D230-R234 VanDerWaalsContact O-CG 3.31Å; D230-R234 WeakPolarHBondContact O-CG 3.3Å; D230-R234 PolarHBondContact O-N 3.24Å; D230-R234 IonicContact OD1-NE 3.27Å; D230-R234 IonicContact OD2-CZ 3.37Å; D230-R234 VanDerWaalsContact OD2-CZ 3.22Å; D230-R234 IonicContact OD2-NE 3.78Å; D230-R234 PolarHBondContact OD2-NE 2.91Å; D230-R234 IonicContact OD2-NH2 3.38Å; D230-R234 PolarHBondContact OD2-NH2 3.23Å; L231-R234 PolarHBondContact O-N 3.06Å; L231-R234 VanDerWaalsContact O-N 3.17Å; A232-R234 VanDerWaalsContact C-N 3.35Å |
| 235 | F | 87.8 | Confident | 87.6 | Confident | 156 Ų | 156 | 67.6 Ų | 67.6 | 68% | 0.684 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -94.5 | -11.7 | -175.6 | -67.9 | -64.5 | 0 | 0 | 0 | 114 | W160 L231 A232 | W160-F235 HydrophobicContact CH2-CZ 4.15Å; L231-F235 HydrophobicContact CB-CD2 4.44Å; L231-F235 HydrophobicContact CB-CE2 4.48Å; L231-F235 HydrophobicContact CD2-CE2 4.21Å; L231-F235 WeakPolarHBondContact O-CD2 3.48Å; L231-F235 PolarHBondContact O-N 3.01Å; A232-F235 PolarHBondContact O-N 2.85Å |
| 236 | S | 84 | Confident | 87.4 | Confident | 52 Ų | 52 | 64 Ų | 64 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -89.7 | 140.2 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | A232 A238 | A232-S236 WeakPolarHBondContact O-CB 3.36Å; A232-S236 PolarHBondContact O-N 3.1Å; A232-S236 PolarHBondContact O-OG 2.82Å; S236-A238 PolarHBondContact O-N 3.28Å |
| 237 | H | 73.3 | Confident | 87.2 | Confident | 185 Ų | 185 | 65.6 Ų | 65.6 | 86% | 0.856 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -61.7 | 119 | 171.8 | -66.4 | -65 | 0 | 0 | 0 | 110.2 | V239 | H237-V239 VanDerWaalsContact O-CG2 3.28Å; H237-V239 WeakPolarHBondContact O-CG2 3.22Å; H237-V239 PolarHBondContact O-N 3.44Å |
| 238 | A | 71.6 | Confident | 87.1 | Confident | 99 Ų | 99 | 68.8 Ų | 68.8 | 82% | 0.818 | 39% | 0.386 | S | S | * | . | trans | -5.9 | 78.1 | -179 | 0 | 0 | 0 | 0 | 0 | 116.7 | S236 | S236-A238 PolarHBondContact O-N 3.28Š| ||
| 239 | V | 84.4 | Confident | 87.1 | Confident | 61 Ų | 61 | 68.2 Ų | 68.2 | 37% | 0.37 | 38% | 0.375 | S | S | . | . | trans | -92.4 | 112.8 | 171.2 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | H237 E241 L242 Q243 | H237-V239 VanDerWaalsContact O-CG2 3.28Å; H237-V239 WeakPolarHBondContact O-CG2 3.22Å; H237-V239 PolarHBondContact O-N 3.44Å; V239-E241 HydrophobicContact CG1-CB 4.26Å; V239-E241 PolarHBondContact O-N 3.33Å; V239-L242 HydrophobicContact CB-CB 3.97Å; V239-L242 HydrophobicContact CG1-CB 4.21Å; V239-L242 PolarHBondContact O-N 2.97Å; V239-L242 VanDerWaalsContact O-N 3.07Å; V239-Q243 PolarHBondContact O-N 3.26Å; V239-Q243 VanDerWaalsContact O-N 3.13Å | ||
| 240 | P | 84.6 | Confident | 87.1 | Confident | 96 Ų | 96 | 66.4 Ų | 66.4 | 62% | 0.623 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.7 | -30.2 | -174.1 | 25 | -34.2 | 0 | 0 | 0 | 112.9 | L244 | P240-L244 WeakPolarHBondContact O-CB 3.25Å; P240-L244 PolarHBondContact O-N 3.03Å |
| 241 | E | 86.1 | Confident | 87.1 | Confident | 160 Ų | 160 | 69.2 Ų | 69.2 | 75% | 0.748 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.9 | -37.4 | 176 | -61.5 | -178.3 | 178.5 | 0 | 0 | 112.1 | V239 L244 A245 | V239-E241 HydrophobicContact CG1-CB 4.26Å; V239-E241 PolarHBondContact O-N 3.33Å; E241-L244 PolarHBondContact O-N 3.48Å; E241-A245 WeakPolarHBondContact O-CB 3.35Å; E241-A245 PolarHBondContact O-N 3.44Å |
| 242 | L | 86.9 | Confident | 87.2 | Confident | 37 Ų | 37 | 70.3 Ų | 70.3 | 19% | 0.194 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -74 | -36 | 179.4 | -170.8 | 58.3 | 0 | 0 | 0 | 111.4 | V229 A232 D233 V239 A245 S246 | V229-L242 HydrophobicContact CG1-CD1 4.04Å; A232-L242 HydrophobicContact CB-CD2 4.27Å; D233-L242 HydrophobicContact CB-CD2 4.28Å; D233-L242 HydrophobicContact CB-CG 3.96Å; V239-L242 HydrophobicContact CB-CB 3.97Å; V239-L242 HydrophobicContact CG1-CB 4.21Å; V239-L242 PolarHBondContact O-N 2.97Å; V239-L242 VanDerWaalsContact O-N 3.07Å; L242-A245 WeakPolarHBondContact O-CB 3.47Å; L242-A245 PolarHBondContact O-N 3.2Å; L242-S246 PolarHBondContact O-N 3.46Å |
| 243 | Q | 87.4 | Confident | 87.4 | Confident | 83 Ų | 83 | 68.5 Ų | 68.5 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 172.5 | -172.7 | 179.8 | 1.9 | 0 | 0 | 111.3 | D233 V239 A245 S246 Q247 | D233-Q243 WeakPolarHBondContact OD1-CA 3.24Å; D233-Q243 PolarHBondContact OD1-N 3.5Å; V239-Q243 PolarHBondContact O-N 3.26Å; V239-Q243 VanDerWaalsContact O-N 3.13Å; Q243-A245 VanDerWaalsContact C-N 3.34Å; Q243-S246 PolarHBondContact O-N 2.93Å; Q243-Q247 WeakPolarHBondContact O-CG 3.33Å; Q243-Q247 PolarHBondContact O-N 3.01Å |
| 244 | L | 90.2 | Very high | 87.7 | Confident | 104 Ų | 104 | 69.4 Ų | 69.4 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 174.6 | -178.4 | 64.5 | 0 | 0 | 0 | 111.6 | P240 E241 Q247 T248 | P240-L244 WeakPolarHBondContact O-CB 3.25Å; P240-L244 PolarHBondContact O-N 3.03Å; E241-L244 PolarHBondContact O-N 3.48Å; L244-Q247 PolarHBondContact O-N 3.41Å; L244-T248 HydrophobicContact CD1-CG2 4.34Å; L244-T248 WeakPolarHBondContact O-CB 3.45Å; L244-T248 VanDerWaalsContact O-CG2 3.32Å; L244-T248 WeakPolarHBondContact O-CG2 3.37Å; L244-T248 PolarHBondContact O-N 3.06Å; L244-T248 PolarHBondContact O-OG1 3.37Å |
| 245 | A | 89.3 | Confident | 88 | Confident | 34 Ų | 34 | 71.5 Ų | 71.5 | 28% | 0.281 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E241 L242 Q243 T248 L249 | E241-A245 WeakPolarHBondContact O-CB 3.35Å; E241-A245 PolarHBondContact O-N 3.44Å; L242-A245 WeakPolarHBondContact O-CB 3.47Å; L242-A245 PolarHBondContact O-N 3.2Å; Q243-A245 VanDerWaalsContact C-N 3.34Å; A245-T248 WeakPolarHBondContact CA-OG1 3.35Å; A245-T248 PolarHBondContact O-N 3.32Å; A245-T248 PolarHBondContact O-OG1 2.86Å; A245-L249 VanDerWaalsContact O-CB 3.32Å; A245-L249 WeakPolarHBondContact O-CB 3.45Å; A245-L249 WeakPolarHBondContact O-CG 3.36Å; A245-L249 PolarHBondContact O-N 3.42Å |
| 246 | S | 89.9 | Confident | 88.2 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.007 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.4 | -47 | 176 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | D230 L242 Q243 T248 L249 H250 | D230-S246 PolarHBondContact OD1-OG 2.97Å; D230-S246 VanDerWaalsContact OD1-OG 3.11Å; L242-S246 PolarHBondContact O-N 3.46Å; Q243-S246 PolarHBondContact O-N 2.93Å; S246-T248 VanDerWaalsContact C-N 3.35Å; S246-T248 PolarHBondContact O-N 2.63Å; S246-L249 PolarHBondContact O-N 2.62Å; S246-H250 PolarHBondContact O-N 2.7Å; S246-H250 PolarHBondContact O-ND1 2.98Å; S246-H250 PolarHBondContact OG-CE1 2.84Å; S246-H250 PolarHBondContact OG-ND1 2.53Å |
| 247 | Q | 89.5 | Confident | 88.6 | Confident | 53 Ų | 53 | 62.5 Ų | 62.5 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58 | -44.3 | 176.9 | -75.8 | 175.4 | -16.4 | 0 | 0 | 112.7 | L170 Y171 Q243 L244 V251 | L170-Q247 HydrophobicContact CB-CG 4.28Å; L170-Q247 HydrophobicContact CD2-CG 3.94Å; L170-Q247 PolarHBondContact O-NE2 3.41Å; Y171-Q247 PolarHBondContact OH-O 3.28Å; Q243-Q247 WeakPolarHBondContact O-CG 3.33Å; Q243-Q247 PolarHBondContact O-N 3.01Å; L244-Q247 PolarHBondContact O-N 3.41Å; Q247-V251 PolarHBondContact O-N 2.7Å |
| 248 | T | 91.5 | Very high | 89.5 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 44% | 0.442 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.9 | -40 | 179.1 | 50.7 | 0 | 0 | 0 | 0 | 111.8 | L244 A245 S246 H250 V251 V252 | L244-T248 HydrophobicContact CD1-CG2 4.34Å; L244-T248 WeakPolarHBondContact O-CB 3.45Å; L244-T248 VanDerWaalsContact O-CG2 3.32Å; L244-T248 WeakPolarHBondContact O-CG2 3.37Å; L244-T248 PolarHBondContact O-N 3.06Å; L244-T248 PolarHBondContact O-OG1 3.37Å; A245-T248 WeakPolarHBondContact CA-OG1 3.35Å; A245-T248 PolarHBondContact O-N 3.32Å; A245-T248 PolarHBondContact O-OG1 2.86Å; S246-T248 VanDerWaalsContact C-N 3.35Å; S246-T248 PolarHBondContact O-N 2.63Å; T248-H250 PolarHBondContact O-N 3.05Å; T248-V251 WeakPolarHBondContact O-CB 3.41Å; T248-V251 PolarHBondContact O-N 3.23Å; T248-V251 VanDerWaalsContact O-N 3.1Å; T248-V252 WeakPolarHBondContact O-CG2 3.43Å; T248-V252 PolarHBondContact O-N 3.23Å |
| 249 | L | 92.4 | Very high | 90.4 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 23% | 0.225 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 177.1 | -74.1 | 173.2 | 0 | 0 | 0 | 112.7 | F226 V229 A245 S246 V251 V252 F253 | F226-L249 HydrophobicContact CD1-CB 3.84Å; F226-L249 HydrophobicContact CD1-CD2 4.08Å; F226-L249 HydrophobicContact CD1-CG 4.48Å; F226-L249 WeakPolarHBondContact CD1-O 3.18Å; F226-L249 HydrophobicContact CE1-CB 4.05Å; F226-L249 HydrophobicContact CE1-CD2 3.7Å; F226-L249 HydrophobicContact CE1-CG 4.47Å; F226-L249 WeakPolarHBondContact CE1-O 3.34Å; F226-L249 HydrophobicContact CZ-CD2 3.97Å; V229-L249 HydrophobicContact CB-CD1 3.67Å; V229-L249 HydrophobicContact CG1-CD1 3.55Å; V229-L249 HydrophobicContact CG2-CD1 3.8Å; A245-L249 VanDerWaalsContact O-CB 3.32Å; A245-L249 WeakPolarHBondContact O-CB 3.45Å; A245-L249 WeakPolarHBondContact O-CG 3.36Å; A245-L249 PolarHBondContact O-N 3.42Å; S246-L249 PolarHBondContact O-N 2.62Å; L249-V251 PolarHBondContact O-N 3.21Å; L249-V252 CarbonylContact O-C 3.6Å; L249-V252 PolarHBondContact O-N 3.04Å; L249-V252 VanDerWaalsContact O-N 3.16Å; L249-F253 VanDerWaalsContact O-CB 3.32Å; L249-F253 WeakPolarHBondContact O-CB 3.48Å; L249-F253 PolarHBondContact O-N 3.39Å |
| 250 | H | 92.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.7 | -32.8 | 172.1 | -77.3 | 85 | 0 | 0 | 0 | 112.3 | Y161 Y171 D230 S246 T248 F253 | Y161-H250 AromaticContact CD2-NE2 3.74Å; Y161-H250 AromaticContact CE1-CD2 3.91Å; Y161-H250 AromaticContact CE2-CD2 3.91Å; Y161-H250 AromaticContact CE2-CE1 3.42Å; Y161-H250 VanDerWaalsContact CE2-CE1 3.42Å; Y161-H250 WeakPolarHBondContact CE2-CE1 3.29Å; Y161-H250 AromaticContact CE2-NE2 3.29Å; Y161-H250 VanDerWaalsContact CE2-NE2 3.29Å; Y161-H250 WeakPolarHBondContact CE2-NE2 3.43Å; Y161-H250 AromaticContact CZ-CD2 3.51Å; Y161-H250 AromaticContact CZ-CE1 3.75Å; Y161-H250 AromaticContact CZ-CG 3.93Å; Y161-H250 AromaticContact CZ-NE2 3.41Å; Y161-H250 PolarHBondContact OH-CD2 3.06Å; Y171-H250 HydrophobicContact CE2-CB 4.46Å; Y171-H250 WeakPolarHBondContact OH-CB 3.39Å; D230-H250 IonicContact OD1-CE1 3.8Å; S246-H250 PolarHBondContact O-N 2.7Å; S246-H250 PolarHBondContact O-ND1 2.98Å; S246-H250 PolarHBondContact OG-CE1 2.84Å; S246-H250 PolarHBondContact OG-ND1 2.53Å; T248-H250 PolarHBondContact O-N 3.05Å; H250-F253 WeakPolarHBondContact O-CB 3.31Å |
| 251 | V | 91.8 | Very high | 90.9 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 38% | 0.382 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71.1 | -44.2 | 171.7 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | Y171 Q247 T248 L249 F253 I254 F255 | Y171-V251 HydrophobicContact CE1-CG2 4.19Å; Y171-V251 WeakPolarHBondContact OH-CG2 3.43Å; Q247-V251 PolarHBondContact O-N 2.7Å; T248-V251 WeakPolarHBondContact O-CB 3.41Å; T248-V251 PolarHBondContact O-N 3.23Å; T248-V251 VanDerWaalsContact O-N 3.1Å; L249-V251 PolarHBondContact O-N 3.21Å; V251-F253 PolarHBondContact O-N 2.93Å; V251-I254 VanDerWaalsContact O-CG1 3.28Å; V251-I254 WeakPolarHBondContact O-CG1 3.31Å; V251-I254 PolarHBondContact O-N 3.07Å; V251-F255 HydrophobicContact CG1-CE2 4.27Å; V251-F255 WeakPolarHBondContact O-CD2 3.19Å |
| 252 | V | 92.9 | Very high | 91 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 36% | 0.358 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.6 | -30.8 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | F226 T248 L249 I254 F255 L256 L259 | F226-V252 HydrophobicContact CE1-CB 3.97Å; F226-V252 HydrophobicContact CE1-CG1 3.97Å; F226-V252 HydrophobicContact CZ-CB 4.31Å; F226-V252 HydrophobicContact CZ-CG1 3.8Å; T248-V252 WeakPolarHBondContact O-CG2 3.43Å; T248-V252 PolarHBondContact O-N 3.23Å; L249-V252 CarbonylContact O-C 3.6Å; L249-V252 PolarHBondContact O-N 3.04Å; L249-V252 VanDerWaalsContact O-N 3.16Å; V252-I254 VanDerWaalsContact C-N 3.28Å; V252-I254 PolarHBondContact O-N 3.36Å; V252-F255 PolarHBondContact O-N 3.11Å; V252-L256 PolarHBondContact O-N 2.92Å; V252-L259 HydrophobicContact CG1-CD1 4.38Å |
| 253 | F | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.1 | -36.8 | -179.3 | -169.7 | -100.5 | 0 | 0 | 0 | 112.9 | Y161 T187 L188 V223 F226 L249 H250 V251 F255 L256 | Y161-F253 HydrophobicContact CD1-CZ 4.5Å; Y161-F253 HydrophobicContact CE1-CD1 4.01Å; Y161-F253 AromaticContact CE1-CD2 3.97Å; Y161-F253 HydrophobicContact CE1-CD2 3.97Å; Y161-F253 HydrophobicContact CE1-CE1 4.13Å; Y161-F253 HydrophobicContact CE1-CE2 4.1Å; Y161-F253 AromaticContact CE1-CG 3.94Å; Y161-F253 HydrophobicContact CE1-CG 3.94Å; Y161-F253 HydrophobicContact CE1-CZ 4.18Å; T187-F253 HydrophobicContact CG2-CD1 4.18Å; T187-F253 HydrophobicContact CG2-CE1 3.76Å; T187-F253 HydrophobicContact CG2-CE2 4.14Å; T187-F253 HydrophobicContact CG2-CZ 3.73Å; T187-F253 WeakPolarHBondContact CG2-O 3.34Å; T187-F253 PolarHBondContact OG1-O 2.83Å; L188-F253 HydrophobicContact CD2-CZ 3.9Å; L188-F253 HydrophobicContact CG-CE1 4.32Å; L188-F253 HydrophobicContact CG-CZ 4.09Å; V223-F253 HydrophobicContact CB-CE2 4.28Å; V223-F253 HydrophobicContact CG1-CE2 3.94Å; V223-F253 HydrophobicContact CG1-CZ 4.09Å; V223-F253 HydrophobicContact CG2-CE2 3.99Å; V223-F253 HydrophobicContact CG2-CZ 4.25Å; F226-F253 HydrophobicContact CB-CD2 4.02Å; F226-F253 HydrophobicContact CB-CE2 4.41Å; F226-F253 HydrophobicContact CD1-CB 3.93Å; F226-F253 AromaticContact CD1-CD2 3.75Å; F226-F253 HydrophobicContact CD1-CD2 3.75Å; F226-F253 HydrophobicContact CD1-CG 4.34Å; F226-F253 HydrophobicContact CE1-CB 4.12Å; F226-F253 HydrophobicContact CE1-CD2 4.41Å; F226-F253 AromaticContact CG-CD2 3.97Å; F226-F253 HydrophobicContact CG-CD2 3.97Å; L249-F253 VanDerWaalsContact O-CB 3.32Å; L249-F253 WeakPolarHBondContact O-CB 3.48Å; L249-F253 PolarHBondContact O-N 3.39Å; H250-F253 WeakPolarHBondContact O-CB 3.31Å; V251-F253 PolarHBondContact O-N 2.93Å; F253-F255 PolarHBondContact O-N 3.03Å; F253-L256 HydrophobicContact CD2-CD1 3.54Å; F253-L256 HydrophobicContact CE2-CD1 3.85Å; F253-L256 HydrophobicContact CG-CD1 4.25Å; F253-L256 WeakPolarHBondContact O-CB 3.5Å; F253-L256 PolarHBondContact O-N 3.06Å |
| 254 | I | 94.4 | Very high | 91.2 | Very high | 39 Ų | 39 | 40.6 Ų | 40.6 | 20% | 0.2 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -20.9 | 178.2 | 83.2 | -164.4 | 0 | 0 | 0 | 112.4 | V180 L183 V251 V252 | V180-I254 HydrophobicContact CG1-CG2 4.49Å; L183-I254 HydrophobicContact CB-CB 4.08Å; L183-I254 HydrophobicContact CB-CG2 4.05Å; L183-I254 HydrophobicContact CD1-CB 4.46Å; L183-I254 HydrophobicContact CD1-CD1 4.36Å; V251-I254 VanDerWaalsContact O-CG1 3.28Å; V251-I254 WeakPolarHBondContact O-CG1 3.31Å; V251-I254 PolarHBondContact O-N 3.07Å; V252-I254 VanDerWaalsContact C-N 3.28Å; V252-I254 PolarHBondContact O-N 3.36Å |
| 255 | F | 93 | Very high | 91.2 | Very high | 104 Ų | 104 | 37.2 Ų | 37.2 | 46% | 0.456 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -2.2 | 179.6 | -65.8 | -73 | 0 | 0 | 0 | 113.2 | V251 V252 F253 P257 L258 L259 | V251-F255 HydrophobicContact CG1-CE2 4.27Å; V251-F255 WeakPolarHBondContact O-CD2 3.19Å; V252-F255 PolarHBondContact O-N 3.11Å; F253-F255 PolarHBondContact O-N 3.03Å; F255-P257 VanDerWaalsContact C-CD 3.48Å; F255-P257 VanDerWaalsContact C-N 3.33Å; F255-L258 HydrophobicContact CD1-CD2 4.46Å; F255-L258 WeakPolarHBondContact O-CB 3.37Å; F255-L258 PolarHBondContact O-N 3Å; F255-L259 WeakPolarHBondContact O-CG 3.4Å; F255-L259 PolarHBondContact O-N 2.69Å |
| 256 | L | 92.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -52.3 | -42.8 | 175.8 | -78.9 | 173.5 | 0 | 0 | 0 | 113.5 | T187 F226 V252 F253 L258 L259 W260 L265 | T187-L256 HydrophobicContact CG2-CB 3.89Å; T187-L256 HydrophobicContact CG2-CD1 3.96Å; F226-L256 HydrophobicContact CE2-CD1 4.36Å; F226-L256 HydrophobicContact CE2-CD2 4.22Å; F226-L256 HydrophobicContact CZ-CD1 4.38Å; F226-L256 HydrophobicContact CZ-CD2 4.17Å; F226-L256 HydrophobicContact CZ-CG 4.41Å; V252-L256 PolarHBondContact O-N 2.92Å; F253-L256 HydrophobicContact CD2-CD1 3.54Å; F253-L256 HydrophobicContact CE2-CD1 3.85Å; F253-L256 HydrophobicContact CG-CD1 4.25Å; F253-L256 WeakPolarHBondContact O-CB 3.5Å; F253-L256 PolarHBondContact O-N 3.06Å; L256-L258 VanDerWaalsContact C-N 3.28Å; L256-L258 PolarHBondContact O-N 2.93Å; L256-L259 HydrophobicContact CD2-CD1 4.46Å; L256-L259 PolarHBondContact O-N 3.22Å; L256-L259 VanDerWaalsContact O-N 3.12Å; L256-W260 HydrophobicContact CB-CE3 4.36Å; L256-W260 HydrophobicContact CB-CH2 3.83Å; L256-W260 HydrophobicContact CB-CZ2 4.07Å; L256-W260 HydrophobicContact CB-CZ3 3.99Å; L256-W260 HydrophobicContact CD1-CH2 4.27Å; L256-W260 HydrophobicContact CD1-CZ2 4.31Å; L256-W260 HydrophobicContact CD2-CZ2 4.37Å; L256-W260 HydrophobicContact CG-CZ2 4.5Å; L256-W260 PolarHBondContact O-N 3.39Å; L256-L265 HydrophobicContact CD2-CD1 3.67Å |
| 257 | P | 91.9 | Very high | 91.4 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.2 | -38.7 | 174.9 | -27.4 | 37.5 | 0 | 0 | 0 | 113.9 | T187 I190 F255 W260 A261 | T187-P257 HydrophobicContact CG2-CG 4.5Å; I190-P257 HydrophobicContact CD1-CB 3.88Å; I190-P257 HydrophobicContact CD1-CG 3.61Å; F255-P257 VanDerWaalsContact C-CD 3.48Å; F255-P257 VanDerWaalsContact C-N 3.33Å; P257-W260 HydrophobicContact CG-CZ3 4.43Å; P257-A261 WeakPolarHBondContact O-CB 3.36Å; P257-A261 PolarHBondContact O-N 3.23Å |
| 258 | L | 90.9 | Very high | 91.4 | Very high | 96 Ų | 96 | 35.7 Ų | 35.7 | 50% | 0.503 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.6 | -41.7 | 176 | -179.5 | 65.2 | 0 | 0 | 0 | 111.2 | F255 L256 A261 L262 | F255-L258 HydrophobicContact CD1-CD2 4.46Å; F255-L258 WeakPolarHBondContact O-CB 3.37Å; F255-L258 PolarHBondContact O-N 3Å; L256-L258 VanDerWaalsContact C-N 3.28Å; L256-L258 PolarHBondContact O-N 2.93Å; L258-A261 PolarHBondContact O-N 3.25Å; L258-L262 HydrophobicContact CD1-CD1 4.15Å; L258-L262 HydrophobicContact CD1-CG 4.22Å; L258-L262 HydrophobicContact CG-CD1 3.97Å; L258-L262 HydrophobicContact CG-CG 4.41Å; L258-L262 WeakPolarHBondContact O-CB 3.18Å; L258-L262 VanDerWaalsContact O-CG 3.28Å; L258-L262 WeakPolarHBondContact O-CG 3.49Å; L258-L262 PolarHBondContact O-N 2.98Å |
| 259 | L | 91.2 | Very high | 91.2 | Very high | 45 Ų | 45 | 33.6 Ų | 33.6 | 24% | 0.236 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.7 | -37 | 178.9 | -65.8 | 175.4 | 0 | 0 | 0 | 112.6 | V252 F255 L256 G263 V264 L265 | V252-L259 HydrophobicContact CG1-CD1 4.38Å; F255-L259 WeakPolarHBondContact O-CG 3.4Å; F255-L259 PolarHBondContact O-N 2.69Å; L256-L259 HydrophobicContact CD2-CD1 4.46Å; L256-L259 PolarHBondContact O-N 3.22Å; L256-L259 VanDerWaalsContact O-N 3.12Å; L259-G263 PolarHBondContact O-N 3.48Å; L259-V264 HydrophobicContact CD2-CB 4.49Å; L259-V264 PolarHBondContact O-N 3.34Å; L259-L265 HydrophobicContact CB-CD1 3.76Å; L259-L265 HydrophobicContact CB-CG 3.99Å |
| 260 | W | 90.8 | Very high | 91.1 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.5 | -47.8 | 170.5 | -67.4 | -44.8 | 0 | 0 | 0 | 111.1 | T187 I190 A191 T203 R219 Y222 V223 L256 P257 L262 G263 L265 | T187-W260 HydrophobicContact CG2-CH2 4.09Å; T187-W260 HydrophobicContact CG2-CZ3 4.21Å; I190-W260 HydrophobicContact CB-CZ3 4.47Å; I190-W260 HydrophobicContact CG2-CE3 3.99Å; I190-W260 HydrophobicContact CG2-CZ3 3.74Å; A191-W260 HydrophobicContact CB-CH2 4.25Å; T203-W260 PolarHBondContact OG1-O 2.86Å; T203-W260 VanDerWaalsContact OG1-O 3.07Å; R219-W260 HydrophobicContact CB-CH2 4.05Å; R219-W260 HydrophobicContact CB-CZ2 3.75Å; R219-W260 HydrophobicContact CG-CD2 4.03Å; R219-W260 HydrophobicContact CG-CE3 4.36Å; R219-W260 HydrophobicContact CG-CG 4.48Å; R219-W260 HydrophobicContact CG-CH2 4.48Å; R219-W260 HydrophobicContact CG-CZ2 4.11Å; Y222-W260 AromaticContact CD2-NE1 3.71Å; V223-W260 HydrophobicContact CG2-CH2 4.4Å; L256-W260 HydrophobicContact CB-CE3 4.36Å; L256-W260 HydrophobicContact CB-CH2 3.83Å; L256-W260 HydrophobicContact CB-CZ2 4.07Å; L256-W260 HydrophobicContact CB-CZ3 3.99Å; L256-W260 HydrophobicContact CD1-CH2 4.27Å; L256-W260 HydrophobicContact CD1-CZ2 4.31Å; L256-W260 HydrophobicContact CD2-CZ2 4.37Å; L256-W260 HydrophobicContact CG-CZ2 4.5Å; L256-W260 PolarHBondContact O-N 3.39Å; P257-W260 HydrophobicContact CG-CZ3 4.43Å; W260-L262 VanDerWaalsContact C-N 3.29Å; W260-L262 PolarHBondContact O-N 3.45Å; W260-G263 PolarHBondContact O-N 3.3Å; W260-L265 HydrophobicContact CG-CD1 4.27Å |
| 261 | A | 88.7 | Confident | 91.1 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.9 | -38.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V27 T203 P257 L258 G263 | V27-A261 HydrophobicContact CG2-CB 3.88Å; T203-A261 WeakPolarHBondContact CG2-O 3.24Å; T203-A261 PolarHBondContact OG1-O 3.27Å; P257-A261 WeakPolarHBondContact O-CB 3.36Å; P257-A261 PolarHBondContact O-N 3.23Å; L258-A261 PolarHBondContact O-N 3.25Å; A261-G263 VanDerWaalsContact C-N 3.28Å; A261-G263 PolarHBondContact O-N 3.39Å |
| 262 | L | 87.6 | Confident | 91.1 | Very high | 76 Ų | 76 | 35.4 Ų | 35.4 | 40% | 0.398 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -11.9 | 176.4 | -68.6 | 174.9 | 0 | 0 | 0 | 113.9 | L258 W260 V264 L622 | L258-L262 HydrophobicContact CD1-CD1 4.15Å; L258-L262 HydrophobicContact CD1-CG 4.22Å; L258-L262 HydrophobicContact CG-CD1 3.97Å; L258-L262 HydrophobicContact CG-CG 4.41Å; L258-L262 WeakPolarHBondContact O-CB 3.18Å; L258-L262 VanDerWaalsContact O-CG 3.28Å; L258-L262 WeakPolarHBondContact O-CG 3.49Å; L258-L262 PolarHBondContact O-N 2.98Å; W260-L262 VanDerWaalsContact C-N 3.29Å; W260-L262 PolarHBondContact O-N 3.45Å; L262-V264 VanDerWaalsContact C-N 3.33Å; L262-V264 HydrophobicContact CB-CG2 3.93Å; L262-V264 PolarHBondContact O-N 3.03Å; L262-L622 HydrophobicContact CD2-CD2 4.4Å |
| 263 | G | 88.3 | Confident | 91 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 6% | 0.062 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 24.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T203 L259 W260 A261 F625 | T203-G263 WeakPolarHBondContact OG1-CA 3.01Å; T203-G263 PolarHBondContact OG1-N 3.08Å; T203-G263 VanDerWaalsContact OG1-N 3.12Å; L259-G263 PolarHBondContact O-N 3.48Å; W260-G263 PolarHBondContact O-N 3.3Å; A261-G263 VanDerWaalsContact C-N 3.28Å; A261-G263 PolarHBondContact O-N 3.39Å; G263-F625 WeakPolarHBondContact O-CB 3.42Å; G263-F625 PolarHBondContact O-N 3.1Å |
| 264 | V | 90.6 | Very high | 91 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | trans | -76.1 | -33.7 | 178.5 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | L259 L262 L608 V623 P626 | L259-V264 HydrophobicContact CD2-CB 4.49Å; L259-V264 PolarHBondContact O-N 3.34Å; L262-V264 VanDerWaalsContact C-N 3.33Å; L262-V264 HydrophobicContact CB-CG2 3.93Å; L262-V264 PolarHBondContact O-N 3.03Å; V264-L608 HydrophobicContact CG1-CD1 4.14Å; V264-V623 HydrophobicContact CG1-CG1 4.25Å; V264-V623 HydrophobicContact CG2-CB 4.26Å; V264-P626 WeakPolarHBondContact O-CD 3.32Å | ||
| 265 | L | 91.3 | Very high | 91 | Very high | 34 Ų | 34 | 35 Ų | 35 | 18% | 0.178 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -85.6 | 124.2 | -177.6 | -64.9 | 175 | 0 | 0 | 0 | 110.4 | A204 Y222 L256 L259 W260 | A204-L265 WeakPolarHBondContact CB-O 3.41Å; Y222-L265 HydrophobicContact CD1-CD2 4.27Å; Y222-L265 HydrophobicContact CD2-CD1 4.46Å; Y222-L265 HydrophobicContact CE1-CB 4.41Å; Y222-L265 HydrophobicContact CE1-CD2 3.9Å; Y222-L265 HydrophobicContact CE2-CB 4.01Å; Y222-L265 HydrophobicContact CG-CD1 4.42Å; L256-L265 HydrophobicContact CD2-CD1 3.67Å; L259-L265 HydrophobicContact CB-CD1 3.76Å; L259-L265 HydrophobicContact CB-CG 3.99Å; W260-L265 HydrophobicContact CG-CD1 4.27Å |
| 266 | P | 91.8 | Very high | 91.1 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 5% | 0.052 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 152 | -177.9 | 25.4 | -30.5 | 0 | 0 | 0 | 112.7 | Y222 A270 L271 F625 P626 | Y222-P266 WeakPolarHBondContact CE2-O 3.43Å; Y222-P266 WeakPolarHBondContact OH-CD 3.33Å; Y222-P266 VanDerWaalsContact OH-CG 3.3Å; Y222-P266 WeakPolarHBondContact OH-CG 3.32Å; Y222-P266 PolarHBondContact OH-O 3.01Å; P266-A270 HydrophobicContact CB-CB 4.25Å; P266-L271 HydrophobicContact CB-CB 4.33Å; P266-L271 HydrophobicContact CG-CB 3.97Å; P266-L271 HydrophobicContact CG-CD1 3.79Å; P266-L271 HydrophobicContact CG-CG 4.39Å; P266-F625 HydrophobicContact CB-CB 3.96Å; P266-F625 HydrophobicContact CB-CD2 3.93Å; P266-F625 HydrophobicContact CB-CG 4.36Å; P266-P626 WeakPolarHBondContact CB-O 3.43Å; P266-P626 HydrophobicContact CG-CG 4.46Å |
| 267 | P | 90.6 | Very high | 91.2 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 160.6 | 165.6 | 29.5 | -34.4 | 0 | 0 | 0 | 110.7 | F206 T218 D269 A270 L271 | F206-P267 HydrophobicContact CB-CG 3.69Å; T218-P267 HydrophobicContact CG2-CB 4.16Å; P267-D269 VanDerWaalsContact C-N 3.33Å; P267-D269 WeakPolarHBondContact CB-OD1 3.44Å; P267-D269 WeakPolarHBondContact CG-OD1 3.23Å; P267-D269 PolarHBondContact O-N 3.4Å; P267-A270 HydrophobicContact CG-CB 3.85Å; P267-A270 PolarHBondContact O-N 3.3Å; P267-L271 WeakPolarHBondContact O-CB 3.23Å; P267-L271 PolarHBondContact O-N 3.49Å |
| 268 | L | 88.9 | Confident | 91.3 | Very high | 31 Ų | 31 | 32 Ų | 32 | 16% | 0.162 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | -170.1 | 172.4 | 65.5 | 0 | 0 | 0 | 112.4 | I214 T218 L221 L271 L272 | I214-L268 HydrophobicContact CG2-CB 3.82Å; I214-L268 HydrophobicContact CG2-CD2 3.79Å; I214-L268 HydrophobicContact CG2-CG 4.2Å; T218-L268 HydrophobicContact CG2-CB 4.34Å; L221-L268 HydrophobicContact CD1-CD1 4.1Å; L221-L268 HydrophobicContact CD2-CD1 3.41Å; L221-L268 VanDerWaalsContact CD2-CD1 3.41Å; L221-L268 HydrophobicContact CG-CD1 4.32Å; L268-L271 PolarHBondContact O-N 3.28Å; L268-L272 HydrophobicContact CD1-CD1 3.91Å; L268-L272 HydrophobicContact CD1-CG 3.96Å; L268-L272 HydrophobicContact CG-CD1 4.08Å; L268-L272 HydrophobicContact CG-CG 4.47Å; L268-L272 WeakPolarHBondContact O-CB 3.49Å; L268-L272 VanDerWaalsContact O-CG 3.3Å; L268-L272 WeakPolarHBondContact O-CG 3.48Å; L268-L272 PolarHBondContact O-N 3.19Å |
| 269 | D | 87.4 | Confident | 91.4 | Very high | 28 Ų | 28 | 31.1 Ų | 31.1 | 15% | 0.15 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -46.1 | 179.2 | 60.5 | -22.2 | 0 | 0 | 0 | 112.1 | F206 Q207 P267 L273 | F206-D269 WeakPolarHBondContact CD1-OD2 3.44Å; Q207-D269 WeakPolarHBondContact CG-OD2 3.43Å; Q207-D269 PolarHBondContact NE2-OD2 2.86Å; P267-D269 VanDerWaalsContact C-N 3.33Å; P267-D269 WeakPolarHBondContact CB-OD1 3.44Å; P267-D269 WeakPolarHBondContact CG-OD1 3.23Å; P267-D269 PolarHBondContact O-N 3.4Å; D269-L273 WeakPolarHBondContact O-CG 3.19Å; D269-L273 PolarHBondContact O-N 2.95Å; D269-L273 VanDerWaalsContact O-N 3.15Å |
| 270 | A | 91 | Very high | 91.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F206 P266 P267 W274 F625 | F206-A270 HydrophobicContact CB-CB 3.93Å; F206-A270 HydrophobicContact CD1-CB 4Å; F206-A270 HydrophobicContact CD2-CB 4.15Å; F206-A270 HydrophobicContact CG-CB 3.77Å; P266-A270 HydrophobicContact CB-CB 4.25Å; P267-A270 HydrophobicContact CG-CB 3.85Å; P267-A270 PolarHBondContact O-N 3.3Å; A270-W274 WeakPolarHBondContact O-CB 3.18Å; A270-W274 PolarHBondContact O-N 3.28Å; A270-F625 HydrophobicContact CB-CD2 4.31Å; A270-F625 HydrophobicContact CB-CE2 4.07Å |
| 271 | L | 92.1 | Very high | 91.7 | Very high | 40 Ų | 40 | 30 Ų | 30 | 21% | 0.209 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 179.8 | -179.2 | 64.5 | 0 | 0 | 0 | 111.7 | L221 Y222 P266 P267 L268 W274 G275 | L221-L271 HydrophobicContact CD2-CD2 3.81Å; Y222-L271 HydrophobicContact CE1-CD2 4.42Å; P266-L271 HydrophobicContact CB-CB 4.33Å; P266-L271 HydrophobicContact CG-CB 3.97Å; P266-L271 HydrophobicContact CG-CD1 3.79Å; P266-L271 HydrophobicContact CG-CG 4.39Å; P267-L271 WeakPolarHBondContact O-CB 3.23Å; P267-L271 PolarHBondContact O-N 3.49Å; L268-L271 PolarHBondContact O-N 3.28Å; L271-W274 HydrophobicContact CD1-CE3 4.32Å; L271-G275 PolarHBondContact O-N 3.25Å |
| 272 | L | 91.3 | Very high | 91.9 | Very high | 104 Ų | 104 | 30.8 Ų | 30.8 | 55% | 0.545 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.7 | -45.7 | 179.9 | -72 | 175.8 | 0 | 0 | 0 | 111.8 | L268 T276 | L268-L272 HydrophobicContact CD1-CD1 3.91Å; L268-L272 HydrophobicContact CD1-CG 3.96Å; L268-L272 HydrophobicContact CG-CD1 4.08Å; L268-L272 HydrophobicContact CG-CG 4.47Å; L268-L272 WeakPolarHBondContact O-CB 3.49Å; L268-L272 VanDerWaalsContact O-CG 3.3Å; L268-L272 WeakPolarHBondContact O-CG 3.48Å; L268-L272 PolarHBondContact O-N 3.19Å; L272-T276 WeakPolarHBondContact O-CB 3.39Å; L272-T276 PolarHBondContact O-N 3.48Å; L272-T276 PolarHBondContact O-OG1 3.4Å |
| 273 | L | 92.6 | Very high | 92.1 | Very high | 24 Ų | 24 | 28 Ų | 28 | 13% | 0.126 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.5 | -45.3 | 178.8 | -67.8 | 173.9 | 0 | 0 | 0 | 111.3 | F206 D269 T276 E277 N292 L295 P628 | F206-L273 HydrophobicContact CE1-CD1 4.07Å; D269-L273 WeakPolarHBondContact O-CG 3.19Å; D269-L273 PolarHBondContact O-N 2.95Å; D269-L273 VanDerWaalsContact O-N 3.15Å; L273-T276 PolarHBondContact O-N 3.11Å; L273-E277 WeakPolarHBondContact O-CB 3.48Å; L273-E277 PolarHBondContact O-N 3.2Å; L273-N292 HydrophobicContact CD2-CB 4.13Å; L273-L295 HydrophobicContact CD2-CD2 4.39Å; L273-P628 HydrophobicContact CB-CG 3.47Å; L273-P628 VanDerWaalsContact CB-CG 3.47Å |
| 274 | W | 94.2 | Very high | 92.3 | Very high | 44 Ų | 44 | 28 Ų | 28 | 17% | 0.167 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 176.7 | 173.8 | 80.5 | 0 | 0 | 0 | 111.3 | A270 L271 T276 E277 Q278 L608 P626 | A270-W274 WeakPolarHBondContact O-CB 3.18Å; A270-W274 PolarHBondContact O-N 3.28Å; L271-W274 HydrophobicContact CD1-CE3 4.32Å; W274-T276 VanDerWaalsContact C-N 3.35Å; W274-T276 PolarHBondContact O-N 3.17Å; W274-E277 WeakPolarHBondContact O-CB 3.28Å; W274-E277 PolarHBondContact O-N 3.19Å; W274-E277 VanDerWaalsContact O-N 3.16Å; W274-Q278 HydrophobicContact CD2-CG 3.86Å; W274-Q278 VanDerWaalsContact CE2-CG 3.44Å; W274-Q278 HydrophobicContact CE3-CG 4.3Å; W274-Q278 HydrophobicContact CG-CG 4.39Å; W274-Q278 HydrophobicContact CH2-CG 4.05Å; W274-Q278 HydrophobicContact CZ2-CG 3.56Å; W274-Q278 HydrophobicContact CZ3-CG 4.38Å; W274-Q278 WeakPolarHBondContact O-CG 3.43Å; W274-Q278 PolarHBondContact O-N 3.49Å; W274-L608 VanDerWaalsContact CZ2-O 3.26Å; W274-L608 WeakPolarHBondContact CZ2-O 3.37Å; W274-P626 HydrophobicContact CD2-CB 3.7Å; W274-P626 HydrophobicContact CE3-CB 4.17Å; W274-P626 HydrophobicContact CG-CB 4.02Å; W274-P626 HydrophobicContact CH2-CB 4.48Å; W274-P626 HydrophobicContact CZ2-CB 4.05Å |
| 275 | G | 93.8 | Very high | 92.3 | Very high | 23 Ų | 23 | 27.5 Ų | 27.5 | 24% | 0.237 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L271 E277 Q278 V279 | L271-G275 PolarHBondContact O-N 3.25Å; G275-E277 VanDerWaalsContact C-N 3.34Å; G275-E277 PolarHBondContact O-N 2.87Å; G275-Q278 PolarHBondContact O-N 3.48Å; G275-V279 WeakPolarHBondContact O-CG2 3.21Å; G275-V279 PolarHBondContact O-N 2.95Å |
| 276 | T | 95.1 | Very high | 92.4 | Very high | 30 Ų | 30 | 26.2 Ų | 26.2 | 18% | 0.184 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 174.8 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | L272 L273 W274 V279 L280 L295 L296 C299 | L272-T276 WeakPolarHBondContact O-CB 3.39Å; L272-T276 PolarHBondContact O-N 3.48Å; L272-T276 PolarHBondContact O-OG1 3.4Å; L273-T276 PolarHBondContact O-N 3.11Å; W274-T276 VanDerWaalsContact C-N 3.35Å; W274-T276 PolarHBondContact O-N 3.17Å; T276-V279 PolarHBondContact O-N 3.41Å; T276-L280 WeakPolarHBondContact O-CB 3.47Å; T276-L280 PolarHBondContact O-N 2.87Å; T276-L295 HydrophobicContact CG2-CD1 4.28Å; T276-L295 HydrophobicContact CG2-CD2 4.36Å; T276-L295 HydrophobicContact CG2-CG 3.93Å; T276-L296 HydrophobicContact CG2-CD2 4.25Å; T276-C299 HydrophobicContact CG2-CB 3.76Å |
| 277 | E | 94.8 | Very high | 92.4 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 174.9 | -173.1 | 178.4 | 87.9 | 0 | 0 | 112 | L273 W274 G275 V279 L280 V281 P288 L295 P628 Q629 | L273-E277 WeakPolarHBondContact O-CB 3.48Å; L273-E277 PolarHBondContact O-N 3.2Å; W274-E277 WeakPolarHBondContact O-CB 3.28Å; W274-E277 PolarHBondContact O-N 3.19Å; W274-E277 VanDerWaalsContact O-N 3.16Å; G275-E277 VanDerWaalsContact C-N 3.34Å; G275-E277 PolarHBondContact O-N 2.87Å; E277-V279 PolarHBondContact O-N 2.8Å; E277-L280 PolarHBondContact O-N 2.97Å; E277-V281 HydrophobicContact CG-CG2 4.27Å; E277-V281 WeakPolarHBondContact O-CB 3.28Å; E277-V281 VanDerWaalsContact O-CG2 3.27Å; E277-V281 WeakPolarHBondContact O-CG2 3.26Å; E277-V281 PolarHBondContact O-N 2.84Å; E277-P288 HydrophobicContact CG-CB 4.39Å; E277-P288 HydrophobicContact CG-CG 4.47Å; E277-L295 HydrophobicContact CB-CD1 4.23Å; E277-L295 HydrophobicContact CB-CD2 4.3Å; E277-P628 WeakPolarHBondContact OE1-CA 3.41Å; E277-Q629 PolarHBondContact OE1-N 3.47Å; E277-Q629 PolarHBondContact OE2-N 2.99Å |
| 278 | Q | 93.9 | Very high | 92.4 | Very high | 21 Ų | 21 | 25.7 Ų | 25.7 | 10% | 0.098 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62 | -43.7 | 177.2 | -64.9 | -54.3 | -70.3 | 0 | 0 | 111.9 | W274 G275 F282 | W274-Q278 HydrophobicContact CD2-CG 3.86Å; W274-Q278 VanDerWaalsContact CE2-CG 3.44Å; W274-Q278 HydrophobicContact CE3-CG 4.3Å; W274-Q278 HydrophobicContact CG-CG 4.39Å; W274-Q278 HydrophobicContact CH2-CG 4.05Å; W274-Q278 HydrophobicContact CZ2-CG 3.56Å; W274-Q278 HydrophobicContact CZ3-CG 4.38Å; W274-Q278 WeakPolarHBondContact O-CG 3.43Å; W274-Q278 PolarHBondContact O-N 3.49Å; G275-Q278 PolarHBondContact O-N 3.48Å; Q278-F282 WeakPolarHBondContact O-CB 3.27Å; Q278-F282 PolarHBondContact O-N 2.92Å |
| 279 | V | 94.2 | Very high | 92.4 | Very high | 78 Ų | 78 | 24.8 Ų | 24.8 | 47% | 0.473 | 14% | 0.144 | S | C | . | . | I | π-helix | trans | -64.1 | -44.5 | 177.2 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | G275 T276 E277 G283 L284 | G275-V279 WeakPolarHBondContact O-CG2 3.21Å; G275-V279 PolarHBondContact O-N 2.95Å; T276-V279 PolarHBondContact O-N 3.41Å; E277-V279 PolarHBondContact O-N 2.8Å; V279-G283 CarbonylContact O-C 3.55Å; V279-G283 WeakPolarHBondContact O-CA 3.49Å; V279-G283 PolarHBondContact O-N 2.75Å; V279-L284 HydrophobicContact CG1-CD1 4.26Å; V279-L284 PolarHBondContact O-N 3.15Å |
| 280 | L | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -63.9 | -47.7 | 179 | 177 | 60.8 | 0 | 0 | 0 | 111.9 | T276 E277 L284 G285 G286 M289 L295 M298 C299 | T276-L280 WeakPolarHBondContact O-CB 3.47Å; T276-L280 PolarHBondContact O-N 2.87Å; E277-L280 PolarHBondContact O-N 2.97Å; L280-L284 HydrophobicContact CD1-CB 4.44Å; L280-L284 CarbonylContact O-C 3.44Å; L280-L284 PolarHBondContact O-N 3.43Å; L280-G285 PolarHBondContact O-N 3.09Å; L280-G286 PolarHBondContact O-N 2.83Å; L280-M289 HydrophobicContact CD2-CE 4.1Å; L280-M289 HydrophobicContact CD2-CG 3.96Å; L280-L295 HydrophobicContact CD2-CD1 3.63Å; L280-M298 HydrophobicContact CD2-CB 4.17Å; L280-C299 HydrophobicContact CB-CB 4.48Å |
| 281 | V | 93.2 | Very high | 92.2 | Very high | 32 Ų | 32 | 26 Ų | 26 | 19% | 0.194 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -73.5 | -57.1 | -174.6 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | E277 G285 G286 P288 | E277-V281 HydrophobicContact CG-CG2 4.27Å; E277-V281 WeakPolarHBondContact O-CB 3.28Å; E277-V281 VanDerWaalsContact O-CG2 3.27Å; E277-V281 WeakPolarHBondContact O-CG2 3.26Å; E277-V281 PolarHBondContact O-N 2.84Å; V281-G285 WeakPolarHBondContact O-CA 3.45Å; V281-G285 PolarHBondContact O-N 3.07Å; V281-G286 WeakPolarHBondContact CA-O 3.29Å; V281-P288 HydrophobicContact CG2-CG 3.97Å |
| 282 | F | 91.3 | Very high | 92 | Very high | 29 Ų | 29 | 26.9 Ų | 26.9 | 13% | 0.127 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -85.4 | -37.9 | -173.7 | -64.4 | -74 | 0 | 0 | 0 | 112.6 | Q278 R503 L547 L551 D554 | Q278-F282 WeakPolarHBondContact O-CB 3.27Å; Q278-F282 PolarHBondContact O-N 2.92Å; F282-R503 WeakPolarHBondContact O-CD 3.49Å; F282-R503 PolarHBondContact O-NE 3.02Å; F282-L547 WeakPolarHBondContact O-CG 3.23Å; F282-L551 HydrophobicContact CD1-CB 4.43Å; F282-L551 HydrophobicContact CD1-CD1 4Å; F282-L551 HydrophobicContact CD2-CD1 4.35Å; F282-L551 HydrophobicContact CE1-CD1 4.26Å; F282-L551 HydrophobicContact CG-CD1 4.05Å; F282-D554 HydrophobicContact CE1-CB 3.65Å; F282-D554 HydrophobicContact CZ-CB 3.81Å; F282-D554 VanDerWaalsContact CZ-CG 3.46Å |
| 283 | G | 91.8 | Very high | 91.8 | Very high | 16 Ų | 16 | 28.5 Ų | 28.5 | 17% | 0.165 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -79.5 | -41.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V279 V499 R503 | V279-G283 CarbonylContact O-C 3.55Å; V279-G283 WeakPolarHBondContact O-CA 3.49Å; V279-G283 PolarHBondContact O-N 2.75Å; G283-V499 WeakPolarHBondContact O-CG1 3.49Å; G283-R503 WeakPolarHBondContact O-CB 3.45Å |
| 284 | L | 94 | Very high | 91.6 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 1.7 | -170.5 | -58.2 | 171.8 | 0 | 0 | 0 | 114.1 | V279 L280 G286 F303 A306 R506 | V279-L284 HydrophobicContact CG1-CD1 4.26Å; V279-L284 PolarHBondContact O-N 3.15Å; L280-L284 HydrophobicContact CD1-CB 4.44Å; L280-L284 CarbonylContact O-C 3.44Å; L280-L284 PolarHBondContact O-N 3.43Å; L284-G286 PolarHBondContact O-N 3.49Å; L284-F303 HydrophobicContact CD1-CB 4.42Å; L284-A306 HydrophobicContact CD2-CB 4.37Å; L284-R506 VanDerWaalsContact O-CD 3.23Å; L284-R506 WeakPolarHBondContact O-CD 3.4Å; L284-R506 PolarHBondContact O-NH1 3.02Å |
| 285 | G | 91 | Very high | 91.5 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | trans | 72.6 | 20.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L280 V281 R506 | L280-G285 PolarHBondContact O-N 3.09Å; V281-G285 WeakPolarHBondContact O-CA 3.45Å; V281-G285 PolarHBondContact O-N 3.07Å; G285-R506 VanDerWaalsContact O-CD 3.3Å; G285-R506 WeakPolarHBondContact O-CD 3.46Å; G285-R506 WeakPolarHBondContact O-CG 3.47Å; G285-R506 PolarHBondContact O-NE 3.28Å | ||
| 286 | G | 91.8 | Very high | 91.4 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 8% | 0.082 | 17% | 0.173 | C | C | . | . | trans | -85.3 | -172.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L280 V281 L284 | L280-G286 PolarHBondContact O-N 2.83Å; V281-G286 WeakPolarHBondContact CA-O 3.29Å; L284-G286 PolarHBondContact O-N 3.49Å | ||
| 287 | S | 92.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | trans | -107.5 | 163.7 | 170.5 | 73.2 | 0 | 0 | 0 | 0 | 111.7 | M289 E692 R693 | S287-M289 VanDerWaalsContact O-CE 3.26Å; S287-M289 WeakPolarHBondContact O-CE 3.28Å; S287-M289 WeakPolarHBondContact OG-CE 3.43Å; S287-E692 WeakPolarHBondContact OG-CG 3.3Å; S287-R693 VanDerWaalsContact CB-O 3.29Å; S287-R693 WeakPolarHBondContact CB-O 3.35Å; S287-R693 PolarHBondContact OG-O 3.03Å | ||
| 288 | P | 91.6 | Very high | 91 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | trans | -51.8 | 142.8 | 156.3 | -25.9 | 38.3 | 0 | 0 | 0 | 109.8 | E277 V281 Q629 P673 E692 | E277-P288 HydrophobicContact CG-CB 4.39Å; E277-P288 HydrophobicContact CG-CG 4.47Å; V281-P288 HydrophobicContact CG2-CG 3.97Å; P288-Q629 HydrophobicContact CG-CG 4.47Å; P288-P673 HydrophobicContact CB-CB 4.12Å; P288-P673 HydrophobicContact CG-CB 3.79Å; P288-P673 HydrophobicContact CG-CG 4.42Å; P288-E692 WeakPolarHBondContact O-CG 3.36Å | ||
| 289 | M | 89.3 | Confident | 91.1 | Very high | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.059 | 19% | 0.194 | C | C | . | . | trans | -110.8 | 144.2 | -170.7 | -68.5 | -69.8 | 152.7 | 0 | 0 | 110.8 | L280 S287 S291 R294 L295 M298 E692 | L280-M289 HydrophobicContact CD2-CE 4.1Å; L280-M289 HydrophobicContact CD2-CG 3.96Å; S287-M289 VanDerWaalsContact O-CE 3.26Å; S287-M289 WeakPolarHBondContact O-CE 3.28Å; S287-M289 WeakPolarHBondContact OG-CE 3.43Å; M289-S291 PolarHBondContact O-N 3.14Å; M289-R294 HydrophobicContact CB-CB 4.38Å; M289-R294 HydrophobicContact CB-CG 4.35Å; M289-R294 HydrophobicContact CG-CG 4.38Å; M289-R294 HydrophobicContact SD-CG 3.83Å; M289-L295 HydrophobicContact CB-CB 3.95Å; M289-L295 HydrophobicContact CB-CD1 4.37Å; M289-L295 HydrophobicContact CG-CB 4.36Å; M289-L295 HydrophobicContact CG-CD1 4.23Å; M289-M298 HydrophobicContact CE-CB 4.2Å; M289-M298 HydrophobicContact CE-CG 4.02Å; M289-M298 HydrophobicContact SD-CB 4.42Å; M289-M298 HydrophobicContact SD-CG 3.98Å; M289-E692 VanDerWaalsContact SD-CD 3.59Å; M289-E692 HydrophobicContact SD-CG 4.24Å | ||
| 290 | S | 86.1 | Confident | 91 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -63.2 | -23.9 | -178.2 | 46.1 | 0 | 0 | 0 | 0 | 114.5 | R630 E692 | S290-R630 PolarHBondContact O-NH1 3.14Å; S290-E692 PolarHBondContact N-OE2 2.92Å; S290-E692 PolarHBondContact OG-OE2 2.83Å |
| 291 | S | 86.8 | Confident | 91 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 33% | 0.329 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -140.3 | 154.3 | 178.7 | 75.2 | 0 | 0 | 0 | 0 | 113.3 | M289 I293 R294 L295 | M289-S291 PolarHBondContact O-N 3.14Å; S291-I293 VanDerWaalsContact C-N 3.32Å; S291-I293 PolarHBondContact O-N 3.23Å; S291-R294 PolarHBondContact O-N 2.96Å; S291-R294 VanDerWaalsContact OG-CB 3.23Å; S291-R294 WeakPolarHBondContact OG-CB 3.46Å; S291-R294 PolarHBondContact OG-N 3.32Å; S291-L295 PolarHBondContact O-N 3.01Å |
| 292 | N | 88.9 | Confident | 91 | Very high | 57 Ų | 57 | 35.5 Ų | 35.5 | 31% | 0.305 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.5 | -38.4 | -179.5 | -60.2 | -14 | 0 | 0 | 0 | 112.3 | L273 L295 L296 | L273-N292 HydrophobicContact CD2-CB 4.13Å; N292-L295 WeakPolarHBondContact O-CB 3.27Å; N292-L295 PolarHBondContact O-N 3.41Å; N292-L296 WeakPolarHBondContact O-CG 3.31Å; N292-L296 PolarHBondContact O-N 2.93Å; N292-L296 VanDerWaalsContact O-N 3.13Å |
| 293 | I | 87.3 | Confident | 91.2 | Very high | 138 Ų | 138 | 40.4 Ų | 40.4 | 71% | 0.708 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -67.9 | -43.4 | 178.2 | -62.2 | 170.8 | 0 | 0 | 0 | 110.4 | S291 L295 L296 L297 | S291-I293 VanDerWaalsContact C-N 3.32Å; S291-I293 PolarHBondContact O-N 3.23Å; I293-L295 VanDerWaalsContact C-N 3.29Å; I293-L295 PolarHBondContact O-N 3.43Å; I293-L296 PolarHBondContact O-N 2.93Å; I293-L297 WeakPolarHBondContact O-CB 3.33Å; I293-L297 PolarHBondContact O-N 3.17Å |
| 294 | R | 87.3 | Confident | 91.3 | Very high | 27 Ų | 27 | 41 Ų | 41 | 10% | 0.102 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.1 | -38.8 | 177.2 | -171.8 | 178.7 | 177.7 | 123.2 | 0.1 | 110.9 | M289 S291 M298 D332 S334 E692 | M289-R294 HydrophobicContact CB-CB 4.38Å; M289-R294 HydrophobicContact CB-CG 4.35Å; M289-R294 HydrophobicContact CG-CG 4.38Å; M289-R294 HydrophobicContact SD-CG 3.83Å; S291-R294 PolarHBondContact O-N 2.96Å; S291-R294 VanDerWaalsContact OG-CB 3.23Å; S291-R294 WeakPolarHBondContact OG-CB 3.46Å; S291-R294 PolarHBondContact OG-N 3.32Å; R294-M298 HydrophobicContact CG-CG 4.3Å; R294-M298 VanDerWaalsContact O-CB 3.27Å; R294-M298 WeakPolarHBondContact O-CB 2.95Å; R294-M298 WeakPolarHBondContact O-CG 3.42Å; R294-M298 PolarHBondContact O-N 3.18Å; R294-D332 IonicContact CZ-OD1 3.04Å; R294-D332 IonicContact NH1-OD1 2.63Å; R294-D332 PolarHBondContact NH1-OD1 3.3Å; R294-D332 IonicContact NH2-OD1 2.94Å; R294-D332 PolarHBondContact NH2-OD1 2.86Å; R294-S334 VanDerWaalsContact NH1-CB 3.29Å; R294-S334 PolarHBondContact NH1-OG 2.95Å; R294-E692 WeakPolarHBondContact CD-OE2 3.24Å; R294-E692 IonicContact CZ-OE1 3.92Å; R294-E692 IonicContact CZ-OE2 3.99Å; R294-E692 VanDerWaalsContact NE-CD 3.35Å; R294-E692 IonicContact NE-OE1 2.81Å; R294-E692 PolarHBondContact NE-OE1 3.01Å; R294-E692 IonicContact NE-OE2 3.01Å; R294-E692 PolarHBondContact NE-OE2 3.36Å; R294-E692 IonicContact NH2-OE1 3.26Å; R294-E692 PolarHBondContact NH2-OE1 3.2Å; R294-E692 IonicContact NH2-OE2 2.69Å |
| 295 | L | 91.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.6 | -54.3 | 173.8 | -179.9 | 60.4 | 0 | 0 | 0 | 112.1 | L273 T276 E277 L280 M289 S291 N292 I293 C299 | L273-L295 HydrophobicContact CD2-CD2 4.39Å; T276-L295 HydrophobicContact CG2-CD1 4.28Å; T276-L295 HydrophobicContact CG2-CD2 4.36Å; T276-L295 HydrophobicContact CG2-CG 3.93Å; E277-L295 HydrophobicContact CB-CD1 4.23Å; E277-L295 HydrophobicContact CB-CD2 4.3Å; L280-L295 HydrophobicContact CD2-CD1 3.63Å; M289-L295 HydrophobicContact CB-CB 3.95Å; M289-L295 HydrophobicContact CB-CD1 4.37Å; M289-L295 HydrophobicContact CG-CB 4.36Å; M289-L295 HydrophobicContact CG-CD1 4.23Å; S291-L295 PolarHBondContact O-N 3.01Å; N292-L295 WeakPolarHBondContact O-CB 3.27Å; N292-L295 PolarHBondContact O-N 3.41Å; I293-L295 VanDerWaalsContact C-N 3.29Å; I293-L295 PolarHBondContact O-N 3.43Å; L295-C299 VanDerWaalsContact O-CB 3.29Å; L295-C299 WeakPolarHBondContact O-CB 3.49Å; L295-C299 PolarHBondContact O-N 2.88Å |
| 296 | L | 92.1 | Very high | 91.4 | Very high | 97 Ų | 97 | 41.7 Ų | 41.7 | 51% | 0.508 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63 | -45.3 | -179.1 | -68.7 | 170.1 | 0 | 0 | 0 | 111.9 | T276 N292 I293 C299 A300 | T276-L296 HydrophobicContact CG2-CD2 4.25Å; N292-L296 WeakPolarHBondContact O-CG 3.31Å; N292-L296 PolarHBondContact O-N 2.93Å; N292-L296 VanDerWaalsContact O-N 3.13Å; I293-L296 PolarHBondContact O-N 2.93Å; L296-C299 PolarHBondContact O-N 3.43Å; L296-A300 WeakPolarHBondContact O-CB 3.49Å; L296-A300 PolarHBondContact O-N 2.82Å |
| 297 | L | 91.3 | Very high | 91.6 | Very high | 109 Ų | 109 | 44 Ų | 44 | 57% | 0.571 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.5 | -49.2 | 179.2 | -178.6 | 66.5 | 0 | 0 | 0 | 111.6 | I293 C299 A300 V301 | I293-L297 WeakPolarHBondContact O-CB 3.33Å; I293-L297 PolarHBondContact O-N 3.17Å; L297-C299 VanDerWaalsContact C-N 3.33Å; L297-C299 PolarHBondContact O-N 3.43Å; L297-A300 PolarHBondContact O-N 2.95Å; L297-V301 HydrophobicContact CD1-CG2 4.35Å; L297-V301 WeakPolarHBondContact O-CG2 3.2Å; L297-V301 PolarHBondContact O-N 2.91Å |
| 298 | M | 91.5 | Very high | 91.7 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.059 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 179.6 | -76.8 | -65.1 | -172.1 | 0 | 0 | 111.7 | L280 M289 R294 S302 L333 | L280-M298 HydrophobicContact CD2-CB 4.17Å; M289-M298 HydrophobicContact CE-CB 4.2Å; M289-M298 HydrophobicContact CE-CG 4.02Å; M289-M298 HydrophobicContact SD-CB 4.42Å; M289-M298 HydrophobicContact SD-CG 3.98Å; R294-M298 HydrophobicContact CG-CG 4.3Å; R294-M298 VanDerWaalsContact O-CB 3.27Å; R294-M298 WeakPolarHBondContact O-CB 2.95Å; R294-M298 WeakPolarHBondContact O-CG 3.42Å; R294-M298 PolarHBondContact O-N 3.18Å; M298-S302 VanDerWaalsContact O-CB 3.24Å; M298-S302 WeakPolarHBondContact O-CB 3.38Å; M298-S302 PolarHBondContact O-N 2.95Å; M298-S302 PolarHBondContact O-OG 3.49Å; M298-L333 HydrophobicContact CE-CB 4.35Å; M298-L333 HydrophobicContact CE-CD1 4.05Å; M298-L333 HydrophobicContact CE-CG 4.46Å |
| 299 | C | 94.3 | Very high | 91.7 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 14% | 0.135 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 174.1 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | T276 L280 L295 L296 L297 S302 F303 | T276-C299 HydrophobicContact CG2-CB 3.76Å; L280-C299 HydrophobicContact CB-CB 4.48Å; L295-C299 VanDerWaalsContact O-CB 3.29Å; L295-C299 WeakPolarHBondContact O-CB 3.49Å; L295-C299 PolarHBondContact O-N 2.88Å; L296-C299 PolarHBondContact O-N 3.43Å; L297-C299 VanDerWaalsContact C-N 3.33Å; L297-C299 PolarHBondContact O-N 3.43Å; C299-S302 PolarHBondContact O-N 2.78Å; C299-F303 WeakPolarHBondContact O-CB 3.42Å; C299-F303 PolarHBondContact O-N 2.89Å |
| 300 | A | 93.9 | Very high | 91.9 | Very high | 64 Ų | 64 | 49.8 Ų | 49.8 | 53% | 0.529 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L296 L297 S302 F303 G304 | L296-A300 WeakPolarHBondContact O-CB 3.49Å; L296-A300 PolarHBondContact O-N 2.82Å; L297-A300 PolarHBondContact O-N 2.95Å; A300-S302 PolarHBondContact O-N 2.86Å; A300-F303 PolarHBondContact O-N 2.69Å; A300-G304 PolarHBondContact O-N 3.24Å |
| 301 | V | 93.2 | Very high | 92.2 | Very high | 67 Ų | 67 | 56.4 Ų | 56.4 | 41% | 0.406 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 178.1 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | L297 F303 G304 V305 L329 | L297-V301 HydrophobicContact CD1-CG2 4.35Å; L297-V301 WeakPolarHBondContact O-CG2 3.2Å; L297-V301 PolarHBondContact O-N 2.91Å; V301-F303 VanDerWaalsContact C-N 3.34Å; V301-F303 PolarHBondContact O-N 2.97Å; V301-G304 WeakPolarHBondContact O-CA 3.32Å; V301-G304 PolarHBondContact O-N 2.95Å; V301-G304 VanDerWaalsContact O-N 3.15Å; V301-V305 PolarHBondContact O-N 3.08Å; V301-V305 VanDerWaalsContact O-N 3.1Å; V301-L329 HydrophobicContact CG1-CD2 3.6Å |
| 302 | S | 94.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.028 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 179.9 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | M298 C299 A300 G304 V305 A306 R506 | M298-S302 VanDerWaalsContact O-CB 3.24Å; M298-S302 WeakPolarHBondContact O-CB 3.38Å; M298-S302 PolarHBondContact O-N 2.95Å; M298-S302 PolarHBondContact O-OG 3.49Å; C299-S302 PolarHBondContact O-N 2.78Å; A300-S302 PolarHBondContact O-N 2.86Å; S302-G304 VanDerWaalsContact C-N 3.33Å; S302-V305 WeakPolarHBondContact O-CB 3.34Å; S302-V305 PolarHBondContact O-N 2.64Å; S302-A306 PolarHBondContact O-N 3.48Å; S302-R506 PolarHBondContact OG-NH1 2.83Å |
| 303 | F | 94.8 | Very high | 92.4 | Very high | 131 Ų | 131 | 58.6 Ų | 58.6 | 58% | 0.575 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.1 | -41.4 | 171.8 | -175.3 | -98.1 | 0 | 0 | 0 | 111.3 | L284 C299 A300 V301 V305 A306 V307 | L284-F303 HydrophobicContact CD1-CB 4.42Å; C299-F303 WeakPolarHBondContact O-CB 3.42Å; C299-F303 PolarHBondContact O-N 2.89Å; A300-F303 PolarHBondContact O-N 2.69Å; V301-F303 VanDerWaalsContact C-N 3.34Å; V301-F303 PolarHBondContact O-N 2.97Å; F303-V305 VanDerWaalsContact C-N 3.28Å; F303-V305 PolarHBondContact O-N 2.96Å; F303-A306 WeakPolarHBondContact O-CB 2.99Å; F303-A306 PolarHBondContact O-N 2.87Å; F303-A306 VanDerWaalsContact O-N 3.08Å; F303-V307 HydrophobicContact CD1-CG2 3.92Å; F303-V307 HydrophobicContact CE1-CG2 3.55Å; F303-V307 HydrophobicContact CZ-CG2 4.01Å; F303-V307 WeakPolarHBondContact O-CG2 3.48Å; F303-V307 PolarHBondContact O-N 2.81Å |
| 304 | G | 94.7 | Very high | 92.6 | Very high | 30 Ų | 30 | 54.8 Ų | 54.8 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55 | -40.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A300 V301 S302 A306 V307 C308 | A300-G304 PolarHBondContact O-N 3.24Å; V301-G304 WeakPolarHBondContact O-CA 3.32Å; V301-G304 PolarHBondContact O-N 2.95Å; V301-G304 VanDerWaalsContact O-N 3.15Å; S302-G304 VanDerWaalsContact C-N 3.33Å; G304-A306 PolarHBondContact O-N 3.32Å; G304-V307 PolarHBondContact O-N 3.35Å; G304-C308 PolarHBondContact O-N 3.3Å; G304-C308 PolarHBondContact O-SG 2.93Å |
| 305 | V | 94.3 | Very high | 92.7 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.3 | 178 | 0 | 0 | 0 | 0 | 111.6 | V301 S302 F303 C308 N309 F321 A325 L329 T502 | V301-V305 PolarHBondContact O-N 3.08Å; V301-V305 VanDerWaalsContact O-N 3.1Å; S302-V305 WeakPolarHBondContact O-CB 3.34Å; S302-V305 PolarHBondContact O-N 2.64Å; F303-V305 VanDerWaalsContact C-N 3.28Å; F303-V305 PolarHBondContact O-N 2.96Å; V305-C308 PolarHBondContact O-N 3.23Å; V305-N309 PolarHBondContact O-N 3.1Å; V305-F321 HydrophobicContact CB-CE1 4.41Å; V305-F321 HydrophobicContact CG1-CD1 4.47Å; V305-F321 HydrophobicContact CG1-CE1 3.74Å; V305-F321 HydrophobicContact CG1-CZ 4.4Å; V305-A325 HydrophobicContact CG1-CB 3.7Å; V305-A325 HydrophobicContact CG2-CB 4Å; V305-L329 HydrophobicContact CG2-CD1 3.82Å; V305-T502 HydrophobicContact CG1-CG2 4.27Å |
| 306 | A | 93.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 57.9 Ų | 57.9 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66 | -36.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L284 S302 F303 G304 Y310 S498 V499 T502 | L284-A306 HydrophobicContact CD2-CB 4.37Å; S302-A306 PolarHBondContact O-N 3.48Å; F303-A306 WeakPolarHBondContact O-CB 2.99Å; F303-A306 PolarHBondContact O-N 2.87Å; F303-A306 VanDerWaalsContact O-N 3.08Å; G304-A306 PolarHBondContact O-N 3.32Å; A306-Y310 PolarHBondContact O-N 3.19Å; A306-S498 PolarHBondContact O-OG 2.87Å; A306-V499 HydrophobicContact CB-CG2 4.35Å; A306-T502 HydrophobicContact CB-CG2 3.68Å |
| 307 | V | 94.8 | Very high | 92.6 | Very high | 57 Ų | 57 | 54.4 Ų | 54.4 | 35% | 0.345 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.2 | -46 | 173.2 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | F303 G304 N309 Y310 F311 | F303-V307 HydrophobicContact CD1-CG2 3.92Å; F303-V307 HydrophobicContact CE1-CG2 3.55Å; F303-V307 HydrophobicContact CZ-CG2 4.01Å; F303-V307 WeakPolarHBondContact O-CG2 3.48Å; F303-V307 PolarHBondContact O-N 2.81Å; G304-V307 PolarHBondContact O-N 3.35Å; V307-N309 VanDerWaalsContact C-N 3.35Å; V307-N309 PolarHBondContact O-N 3.21Å; V307-Y310 WeakPolarHBondContact O-CB 3.34Å; V307-Y310 PolarHBondContact O-N 2.96Å; V307-Y310 VanDerWaalsContact O-N 3.17Å; V307-F311 HydrophobicContact CG1-CD2 3.92Å; V307-F311 HydrophobicContact CG1-CE2 3.7Å; V307-F311 VanDerWaalsContact O-CD2 3.24Å; V307-F311 WeakPolarHBondContact O-CD2 3.39Å; V307-F311 PolarHBondContact O-N 3.13Å |
| 308 | C | 93.8 | Very high | 92.6 | Very high | 60 Ų | 60 | 49.2 Ų | 49.2 | 41% | 0.405 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58 | -45.7 | 176.6 | -71.4 | 0 | 0 | 0 | 0 | 112 | G304 V305 Y310 F311 I312 F321 | G304-C308 PolarHBondContact O-N 3.3Å; G304-C308 PolarHBondContact O-SG 2.93Å; V305-C308 PolarHBondContact O-N 3.23Å; C308-Y310 PolarHBondContact O-N 2.88Å; C308-F311 PolarHBondContact O-N 3.25Å; C308-F311 VanDerWaalsContact O-N 3.1Å; C308-I312 WeakPolarHBondContact O-CG1 3.3Å; C308-I312 PolarHBondContact O-N 3.4Å; C308-I312 VanDerWaalsContact O-N 3.15Å; C308-F321 HydrophobicContact CB-CE1 3.57Å; C308-F321 HydrophobicContact CB-CZ 3.72Å |
| 309 | N | 92.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.7 | -31.7 | 178.1 | -90.4 | -21.2 | 0 | 0 | 0 | 113.9 | V305 V307 F321 S322 S498 T502 | V305-N309 PolarHBondContact O-N 3.1Å; V307-N309 VanDerWaalsContact C-N 3.35Å; V307-N309 PolarHBondContact O-N 3.21Å; N309-F321 VanDerWaalsContact OD1-CD1 3.31Å; N309-F321 WeakPolarHBondContact OD1-CD1 3.32Å; N309-S322 PolarHBondContact ND2-OG 2.84Å; N309-S322 PolarHBondContact OD1-OG 3.1Å; N309-S498 WeakPolarHBondContact CB-OG 3.45Å; N309-T502 HydrophobicContact CB-CG2 4.3Å; N309-T502 WeakPolarHBondContact ND2-CG2 3.43Å |
| 310 | Y | 93.1 | Very high | 92.7 | Very high | 83 Ų | 83 | 50.7 Ų | 50.7 | 33% | 0.325 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.5 | -34.9 | 176.8 | 178.6 | -94.6 | 0 | 0 | 0 | 112.7 | A306 V307 C308 H493 V495 S498 | A306-Y310 PolarHBondContact O-N 3.19Å; V307-Y310 WeakPolarHBondContact O-CB 3.34Å; V307-Y310 PolarHBondContact O-N 2.96Å; V307-Y310 VanDerWaalsContact O-N 3.17Å; C308-Y310 PolarHBondContact O-N 2.88Å; Y310-H493 VanDerWaalsContact CE2-O 3.23Å; Y310-H493 WeakPolarHBondContact CE2-O 3.39Å; Y310-H493 PolarHBondContact O-ND1 2.69Å; Y310-V495 HydrophobicContact CD2-CG2 4.18Å; Y310-V495 HydrophobicContact CE2-CG2 3.9Å; Y310-S498 PolarHBondContact N-OG 3.39Å |
| 311 | F | 93.5 | Very high | 92.7 | Very high | 147 Ų | 147 | 51.1 Ų | 51.1 | 65% | 0.645 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -90 | -14.5 | -176.1 | -72.6 | -67.5 | 0 | 0 | 0 | 114.4 | V307 C308 P313 | V307-F311 HydrophobicContact CG1-CD2 3.92Å; V307-F311 HydrophobicContact CG1-CE2 3.7Å; V307-F311 VanDerWaalsContact O-CD2 3.24Å; V307-F311 WeakPolarHBondContact O-CD2 3.39Å; V307-F311 PolarHBondContact O-N 3.13Å; C308-F311 PolarHBondContact O-N 3.25Å; C308-F311 VanDerWaalsContact O-N 3.1Å; F311-P313 WeakPolarHBondContact O-CD 3.24Å |
| 312 | I | 92.3 | Very high | 92.7 | Very high | 39 Ų | 39 | 48 Ų | 48 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | trans | -72.4 | 120.9 | 177 | -67.1 | 163.7 | 0 | 0 | 0 | 109.4 | C308 S314 V318 F321 | C308-I312 WeakPolarHBondContact O-CG1 3.3Å; C308-I312 PolarHBondContact O-N 3.4Å; C308-I312 VanDerWaalsContact O-N 3.15Å; I312-S314 VanDerWaalsContact C-N 3.35Å; I312-S314 PolarHBondContact O-N 2.9Å; I312-V318 HydrophobicContact CB-CG2 3.75Å; I312-V318 HydrophobicContact CG2-CG2 3.74Å; I312-F321 HydrophobicContact CD1-CB 3.96Å; I312-F321 HydrophobicContact CD1-CD1 3.89Å; I312-F321 HydrophobicContact CD1-CG 3.92Å | ||
| 313 | P | 88.1 | Confident | 92.8 | Very high | 111 Ų | 111 | 47.8 Ų | 47.8 | 72% | 0.721 | 27% | 0.267 | S | S | * | . | trans | -81.6 | -10.7 | -174.8 | 32 | -35.7 | 0 | 0 | 0 | 114.1 | F311 | F311-P313 WeakPolarHBondContact O-CD 3.24Š| ||
| 314 | S | 90.8 | Very high | 92.8 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 40% | 0.399 | 25% | 0.251 | S | S | . | . | trans | -107.1 | 130.3 | -176 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | I312 L316 G317 V318 | I312-S314 VanDerWaalsContact C-N 3.35Å; I312-S314 PolarHBondContact O-N 2.9Å; S314-L316 VanDerWaalsContact C-N 3.34Å; S314-L316 PolarHBondContact O-N 2.93Å; S314-L316 PolarHBondContact OG-N 2.75Å; S314-G317 WeakPolarHBondContact O-CA 3.34Å; S314-G317 PolarHBondContact O-N 2.98Å; S314-G317 VanDerWaalsContact O-N 3.13Å; S314-G317 PolarHBondContact OG-N 3.14Å; S314-V318 PolarHBondContact O-N 3.43Å | ||
| 315 | S | 88.8 | Confident | 92.7 | Very high | 42 Ų | 42 | 42.3 Ų | 42.3 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63 | -40.5 | 175.5 | 60.7 | 0 | 0 | 0 | 0 | 112 | G317 V318 V319 H392 | S315-G317 VanDerWaalsContact C-N 3.32Å; S315-G317 PolarHBondContact O-N 2.93Å; S315-V318 PolarHBondContact O-N 2.99Å; S315-V319 WeakPolarHBondContact O-CG2 3.49Å; S315-V319 PolarHBondContact O-N 3.16Å; S315-H392 WeakPolarHBondContact CB-NE2 3.33Å; S315-H392 PolarHBondContact OG-NE2 3.5Å |
| 316 | L | 90.8 | Very high | 92.7 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 29% | 0.293 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.9 | -43 | 172.7 | -177.8 | 67 | 0 | 0 | 0 | 111 | S314 V318 V319 L320 H392 | S314-L316 VanDerWaalsContact C-N 3.34Å; S314-L316 PolarHBondContact O-N 2.93Å; S314-L316 PolarHBondContact OG-N 2.75Å; L316-V318 PolarHBondContact O-N 2.87Å; L316-V319 PolarHBondContact O-N 2.92Å; L316-L320 HydrophobicContact CD1-CD1 4.31Å; L316-L320 HydrophobicContact CD1-CG 4.37Å; L316-L320 HydrophobicContact CG-CD1 4.06Å; L316-L320 HydrophobicContact CG-CG 4.48Å; L316-L320 WeakPolarHBondContact O-CB 3.19Å; L316-L320 VanDerWaalsContact O-CG 3.31Å; L316-L320 WeakPolarHBondContact O-CG 3.35Å; L316-L320 PolarHBondContact O-N 3.47Å; L316-H392 HydrophobicContact CD1-CB 4.45Å |
| 317 | G | 90.7 | Very high | 92.7 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 25% | 0.247 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S314 S315 F321 | S314-G317 WeakPolarHBondContact O-CA 3.34Å; S314-G317 PolarHBondContact O-N 2.98Å; S314-G317 VanDerWaalsContact O-N 3.13Å; S314-G317 PolarHBondContact OG-N 3.14Å; S315-G317 VanDerWaalsContact C-N 3.32Å; S315-G317 PolarHBondContact O-N 2.93Å; G317-F321 WeakPolarHBondContact O-CB 3.31Å; G317-F321 PolarHBondContact O-N 3.45Å |
| 318 | V | 91.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -42.9 | 177.3 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | I312 S314 S315 L316 S322 L489 L492 L501 | I312-V318 HydrophobicContact CB-CG2 3.75Å; I312-V318 HydrophobicContact CG2-CG2 3.74Å; S314-V318 PolarHBondContact O-N 3.43Å; S315-V318 PolarHBondContact O-N 2.99Å; L316-V318 PolarHBondContact O-N 2.87Å; V318-S322 WeakPolarHBondContact O-CB 3.38Å; V318-S322 PolarHBondContact O-N 3.36Å; V318-S322 PolarHBondContact O-OG 3.14Å; V318-L489 HydrophobicContact CG1-CD2 4.5Å; V318-L492 HydrophobicContact CB-CD2 4.13Å; V318-L492 HydrophobicContact CG1-CD2 4.14Å; V318-L492 HydrophobicContact CG2-CD1 4.2Å; V318-L492 HydrophobicContact CG2-CD2 3.97Å; V318-L501 HydrophobicContact CG1-CD1 4.13Å |
| 319 | V | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 177.8 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | S315 L316 T323 A388 L489 F505 | S315-V319 WeakPolarHBondContact O-CG2 3.49Å; S315-V319 PolarHBondContact O-N 3.16Å; L316-V319 PolarHBondContact O-N 2.92Å; V319-T323 VanDerWaalsContact O-CB 3.29Å; V319-T323 WeakPolarHBondContact O-CB 3.5Å; V319-T323 PolarHBondContact O-N 2.81Å; V319-T323 PolarHBondContact O-OG1 2.94Å; V319-A388 HydrophobicContact CG1-CB 3.75Å; V319-L489 HydrophobicContact CG2-CD1 3.57Å; V319-L489 HydrophobicContact CG2-CD2 3.78Å; V319-L489 HydrophobicContact CG2-CG 4.33Å; V319-F505 HydrophobicContact CG1-CZ 4.28Å |
| 320 | L | 94.5 | Very high | 92.5 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 33% | 0.325 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 179.5 | -69.1 | 175.5 | 0 | 0 | 0 | 111.6 | L316 S324 T385 | L316-L320 HydrophobicContact CD1-CD1 4.31Å; L316-L320 HydrophobicContact CD1-CG 4.37Å; L316-L320 HydrophobicContact CG-CD1 4.06Å; L316-L320 HydrophobicContact CG-CG 4.48Å; L316-L320 WeakPolarHBondContact O-CB 3.19Å; L316-L320 VanDerWaalsContact O-CG 3.31Å; L316-L320 WeakPolarHBondContact O-CG 3.35Å; L316-L320 PolarHBondContact O-N 3.47Å; L320-S324 WeakPolarHBondContact O-CB 3.5Å; L320-S324 PolarHBondContact O-N 3.23Å; L320-S324 PolarHBondContact O-OG 3.32Å; L320-T385 WeakPolarHBondContact CD2-O 3.29Å |
| 321 | F | 95.1 | Very high | 92.2 | Very high | 73 Ų | 73 | 37.3 Ų | 37.3 | 32% | 0.32 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.7 | -45.5 | 178.6 | -178.9 | -103.3 | 0 | 0 | 0 | 111.8 | V305 C308 N309 I312 G317 S324 A325 | V305-F321 HydrophobicContact CB-CE1 4.41Å; V305-F321 HydrophobicContact CG1-CD1 4.47Å; V305-F321 HydrophobicContact CG1-CE1 3.74Å; V305-F321 HydrophobicContact CG1-CZ 4.4Å; C308-F321 HydrophobicContact CB-CE1 3.57Å; C308-F321 HydrophobicContact CB-CZ 3.72Å; N309-F321 VanDerWaalsContact OD1-CD1 3.31Å; N309-F321 WeakPolarHBondContact OD1-CD1 3.32Å; I312-F321 HydrophobicContact CD1-CB 3.96Å; I312-F321 HydrophobicContact CD1-CD1 3.89Å; I312-F321 HydrophobicContact CD1-CG 3.92Å; G317-F321 WeakPolarHBondContact O-CB 3.31Å; G317-F321 PolarHBondContact O-N 3.45Å; F321-S324 PolarHBondContact O-N 2.62Å; F321-A325 VanDerWaalsContact O-CB 3.23Å; F321-A325 WeakPolarHBondContact O-CB 3.35Å; F321-A325 PolarHBondContact O-N 3.12Å |
| 322 | S | 93.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.5 | -41 | 179.9 | -60.2 | 0 | 0 | 0 | 0 | 112.4 | N309 V318 S324 G326 | N309-S322 PolarHBondContact ND2-OG 2.84Å; N309-S322 PolarHBondContact OD1-OG 3.1Å; V318-S322 WeakPolarHBondContact O-CB 3.38Å; V318-S322 PolarHBondContact O-N 3.36Å; V318-S322 PolarHBondContact O-OG 3.14Å; S322-S324 VanDerWaalsContact C-N 3.34Å; S322-G326 WeakPolarHBondContact O-CA 3.4Å; S322-G326 PolarHBondContact O-N 3.31Å |
| 323 | T | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 175.5 | -54.9 | 0 | 0 | 0 | 0 | 110.4 | V319 F327 A384 T385 A388 V480 F505 | V319-T323 VanDerWaalsContact O-CB 3.29Å; V319-T323 WeakPolarHBondContact O-CB 3.5Å; V319-T323 PolarHBondContact O-N 2.81Å; V319-T323 PolarHBondContact O-OG1 2.94Å; T323-F327 PolarHBondContact O-N 2.8Å; T323-F327 VanDerWaalsContact O-N 3.16Å; T323-A384 HydrophobicContact CG2-CB 4.16Å; T323-T385 HydrophobicContact CG2-CG2 4.3Å; T323-A388 HydrophobicContact CG2-CB 4.48Å; T323-V480 HydrophobicContact CG2-CG1 4.14Å; T323-V480 HydrophobicContact CG2-CG2 4.47Å; T323-F505 WeakPolarHBondContact OG1-CD1 3.45Å; T323-F505 VanDerWaalsContact OG1-CE1 3.26Å; T323-F505 WeakPolarHBondContact OG1-CE1 3.23Å |
| 324 | S | 94.6 | Very high | 89.3 | Confident | 34 Ų | 34 | 30.2 Ų | 30.2 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68 | -50 | -179.8 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | L320 F321 S322 F327 L328 T385 | L320-S324 WeakPolarHBondContact O-CB 3.5Å; L320-S324 PolarHBondContact O-N 3.23Å; L320-S324 PolarHBondContact O-OG 3.32Å; F321-S324 PolarHBondContact O-N 2.62Å; S322-S324 VanDerWaalsContact C-N 3.34Å; S324-F327 PolarHBondContact O-N 2.71Å; S324-L328 VanDerWaalsContact O-CG 3.32Å; S324-L328 WeakPolarHBondContact O-CG 3.09Å; S324-L328 PolarHBondContact O-N 2.94Å; S324-T385 VanDerWaalsContact OG-CG2 3.24Å; S324-T385 WeakPolarHBondContact OG-CG2 3.26Å |
| 325 | A | 94.3 | Very high | 88 | Confident | 11 Ų | 11 | 28.8 Ų | 28.8 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V305 F321 F327 L328 L329 | V305-A325 HydrophobicContact CG1-CB 3.7Å; V305-A325 HydrophobicContact CG2-CB 4Å; F321-A325 VanDerWaalsContact O-CB 3.23Å; F321-A325 WeakPolarHBondContact O-CB 3.35Å; F321-A325 PolarHBondContact O-N 3.12Å; A325-F327 PolarHBondContact O-N 2.88Å; A325-L328 PolarHBondContact O-N 3.21Å; A325-L329 VanDerWaalsContact O-CB 3.32Å; A325-L329 WeakPolarHBondContact O-CB 3.25Å; A325-L329 VanDerWaalsContact O-CG 3.26Å; A325-L329 WeakPolarHBondContact O-CG 3.31Å; A325-L329 PolarHBondContact O-N 3.21Å |
| 326 | G | 93.6 | Very high | 86.5 | Confident | 4 Ų | 4 | 30.3 Ų | 30.3 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.7 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S322 S330 | S322-G326 WeakPolarHBondContact O-CA 3.4Å; S322-G326 PolarHBondContact O-N 3.31Å; G326-S330 WeakPolarHBondContact O-CB 3.45Å; G326-S330 PolarHBondContact O-N 2.89Å; G326-S330 PolarHBondContact O-OG 3.47Å |
| 327 | F | 93.5 | Very high | 84.8 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.8 | -52.4 | 174.5 | -179.2 | -104.6 | 0 | 0 | 0 | 111.7 | T323 S324 A325 L329 S330 L331 F377 L380 L381 W509 Y695 | T323-F327 PolarHBondContact O-N 2.8Å; T323-F327 VanDerWaalsContact O-N 3.16Å; S324-F327 PolarHBondContact O-N 2.71Å; A325-F327 PolarHBondContact O-N 2.88Å; F327-L329 VanDerWaalsContact C-N 3.35Å; F327-L329 PolarHBondContact O-N 3.4Å; F327-S330 WeakPolarHBondContact O-CB 3.33Å; F327-S330 PolarHBondContact O-N 2.96Å; F327-L331 HydrophobicContact CD1-CD1 4.19Å; F327-L331 HydrophobicContact CE1-CD1 3.77Å; F327-L331 HydrophobicContact CE1-CG 4.41Å; F327-L331 HydrophobicContact CZ-CD1 4.25Å; F327-L331 HydrophobicContact CZ-CD2 4.22Å; F327-L331 PolarHBondContact O-N 2.95Å; F327-F377 HydrophobicContact CE1-CB 4.19Å; F327-F377 WeakPolarHBondContact CE1-O 3.47Å; F327-F377 HydrophobicContact CZ-CB 4.07Å; F327-F377 HydrophobicContact CZ-CD1 4.04Å; F327-F377 HydrophobicContact CZ-CG 4.41Å; F327-L380 HydrophobicContact CE2-CB 4.49Å; F327-L380 HydrophobicContact CZ-CB 4.24Å; F327-L381 HydrophobicContact CB-CD1 4.14Å; F327-L381 HydrophobicContact CD1-CB 3.94Å; F327-L381 HydrophobicContact CD1-CD1 3.83Å; F327-L381 HydrophobicContact CD1-CD2 4.39Å; F327-L381 HydrophobicContact CD1-CG 4.27Å; F327-L381 HydrophobicContact CE1-CB 3.91Å; F327-L381 HydrophobicContact CG-CD1 4.25Å; F327-W509 HydrophobicContact CB-CG 4.41Å; F327-W509 AromaticContact CD2-CD2 3.63Å; F327-W509 HydrophobicContact CD2-CD2 3.63Å; F327-W509 AromaticContact CD2-CE2 3.88Å; F327-W509 AromaticContact CD2-CE3 3.69Å; F327-W509 HydrophobicContact CD2-CE3 3.69Å; F327-W509 HydrophobicContact CD2-CG 4.1Å; F327-W509 HydrophobicContact CD2-CH2 4.25Å; F327-W509 HydrophobicContact CD2-CZ2 4.2Å; F327-W509 HydrophobicContact CD2-CZ3 4Å; F327-W509 HydrophobicContact CE2-CD2 4.41Å; F327-W509 HydrophobicContact CE2-CE3 4.01Å; F327-W509 HydrophobicContact CE2-CZ3 4.06Å; F327-Y695 AromaticContact CE2-CD1 3.9Å; F327-Y695 HydrophobicContact CE2-CD1 3.9Å; F327-Y695 AromaticContact CE2-CE1 3.79Å; F327-Y695 HydrophobicContact CE2-CE1 3.79Å |
| 328 | L | 91.6 | Very high | 83.1 | Confident | 80 Ų | 80 | 30.8 Ų | 30.8 | 42% | 0.419 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61 | -39.7 | -176.8 | -70.6 | 173.2 | 0 | 0 | 0 | 113.2 | S324 A325 S330 L331 L381 | S324-L328 VanDerWaalsContact O-CG 3.32Å; S324-L328 WeakPolarHBondContact O-CG 3.09Å; S324-L328 PolarHBondContact O-N 2.94Å; A325-L328 PolarHBondContact O-N 3.21Å; L328-S330 PolarHBondContact O-N 3.17Å; L328-L331 PolarHBondContact O-N 2.85Å; L328-L381 HydrophobicContact CD2-CD2 4.34Å |
| 329 | L | 91.6 | Very high | 81.2 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -12.1 | 177.4 | -67.2 | -178.9 | 0 | 0 | 0 | 114 | V301 V305 A325 F327 L333 R506 | V301-L329 HydrophobicContact CG1-CD2 3.6Å; V305-L329 HydrophobicContact CG2-CD1 3.82Å; A325-L329 VanDerWaalsContact O-CB 3.32Å; A325-L329 WeakPolarHBondContact O-CB 3.25Å; A325-L329 VanDerWaalsContact O-CG 3.26Å; A325-L329 WeakPolarHBondContact O-CG 3.31Å; A325-L329 PolarHBondContact O-N 3.21Å; F327-L329 VanDerWaalsContact C-N 3.35Å; F327-L329 PolarHBondContact O-N 3.4Å; L329-L333 HydrophobicContact CD2-CD1 4.39Å; L329-R506 PolarHBondContact O-NH2 3.17Å |
| 330 | S | 92.2 | Very high | 79.3 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -4.4 | 175.6 | -57 | 0 | 0 | 0 | 0 | 112.7 | G326 F327 L328 R506 Q510 Y695 Y697 | G326-S330 WeakPolarHBondContact O-CB 3.45Å; G326-S330 PolarHBondContact O-N 2.89Å; G326-S330 PolarHBondContact O-OG 3.47Å; F327-S330 WeakPolarHBondContact O-CB 3.33Å; F327-S330 PolarHBondContact O-N 2.96Å; L328-S330 PolarHBondContact O-N 3.17Å; S330-R506 PolarHBondContact OG-O 3.39Å; S330-Q510 PolarHBondContact OG-N 3.01Å; S330-Y695 WeakPolarHBondContact O-CB 3.34Å; S330-Y695 PolarHBondContact O-N 3.48Å; S330-Y697 WeakPolarHBondContact O-CE1 3.34Å |
| 331 | L | 88.3 | Confident | 77.4 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 13% | 0.126 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -90.5 | 159.3 | 173.7 | -62.3 | 177 | 0 | 0 | 0 | 111.4 | F327 L328 L333 F377 Y695 | F327-L331 HydrophobicContact CD1-CD1 4.19Å; F327-L331 HydrophobicContact CE1-CD1 3.77Å; F327-L331 HydrophobicContact CE1-CG 4.41Å; F327-L331 HydrophobicContact CZ-CD1 4.25Å; F327-L331 HydrophobicContact CZ-CD2 4.22Å; F327-L331 PolarHBondContact O-N 2.95Å; L328-L331 PolarHBondContact O-N 2.85Å; L331-L333 PolarHBondContact O-N 2.88Å; L331-F377 HydrophobicContact CD2-CD1 4.18Å; L331-F377 HydrophobicContact CD2-CE1 4.13Å; L331-F377 HydrophobicContact CD2-CG 4.41Å; L331-F377 HydrophobicContact CD2-CZ 4.32Å; L331-Y695 HydrophobicContact CD2-CD1 4.04Å |
| 332 | D | 79.4 | Confident | 75.2 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | trans | -77.9 | 85.2 | 175.6 | -172.8 | 15.9 | 0 | 0 | 0 | 112 | R294 S334 Q335 Y697 | R294-D332 IonicContact CZ-OD1 3.04Å; R294-D332 IonicContact NH1-OD1 2.63Å; R294-D332 PolarHBondContact NH1-OD1 3.3Å; R294-D332 IonicContact NH2-OD1 2.94Å; R294-D332 PolarHBondContact NH2-OD1 2.86Å; D332-S334 VanDerWaalsContact CG-OG 3.29Å; D332-S334 PolarHBondContact O-N 3.37Å; D332-S334 VanDerWaalsContact O-N 3.12Å; D332-S334 WeakPolarHBondContact OD1-CB 3.09Å; D332-S334 PolarHBondContact OD1-N 2.97Å; D332-S334 PolarHBondContact OD1-OG 3.33Å; D332-S334 PolarHBondContact OD2-OG 3.31Å; D332-Q335 PolarHBondContact O-N 3.18Å; D332-Q335 WeakPolarHBondContact OD2-CG 3.4Å; D332-Q335 PolarHBondContact OD2-NE2 2.67Å; D332-Y697 HydrophobicContact CB-CD1 3.93Å; D332-Y697 HydrophobicContact CB-CD2 4.23Å; D332-Y697 HydrophobicContact CB-CE1 4.05Å; D332-Y697 HydrophobicContact CB-CE2 4.37Å; D332-Y697 HydrophobicContact CB-CG 4.02Å | ||
| 333 | L | 68.8 | Low | 73 | Confident | 74 Ų | 74 | 53.8 Ų | 53.8 | 39% | 0.387 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -62.8 | -16.5 | 179.8 | -65.8 | 176.5 | 0 | 0 | 0 | 113.9 | M298 L329 L331 Q335 V336 | M298-L333 HydrophobicContact CE-CB 4.35Å; M298-L333 HydrophobicContact CE-CD1 4.05Å; M298-L333 HydrophobicContact CE-CG 4.46Å; L329-L333 HydrophobicContact CD2-CD1 4.39Å; L331-L333 PolarHBondContact O-N 2.88Å; L333-Q335 PolarHBondContact O-N 3.21Å; L333-V336 PolarHBondContact O-N 3.31Å |
| 334 | S | 64.9 | Low | 70.6 | Confident | 61 Ų | 61 | 63.8 Ų | 63.8 | 43% | 0.427 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -66.1 | -27.3 | -179.6 | 70.2 | 0 | 0 | 0 | 0 | 113.2 | R294 D332 | R294-S334 VanDerWaalsContact NH1-CB 3.29Å; R294-S334 PolarHBondContact NH1-OG 2.95Å; D332-S334 VanDerWaalsContact CG-OG 3.29Å; D332-S334 PolarHBondContact O-N 3.37Å; D332-S334 VanDerWaalsContact O-N 3.12Å; D332-S334 WeakPolarHBondContact OD1-CB 3.09Å; D332-S334 PolarHBondContact OD1-N 2.97Å; D332-S334 PolarHBondContact OD1-OG 3.33Å; D332-S334 PolarHBondContact OD2-OG 3.31Å |
| 335 | Q | 62.4 | Low | 68.1 | Low | 27 Ų | 27 | 65.7 Ų | 65.7 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -77.2 | -23.1 | 179.7 | -63.2 | -177.5 | 23.3 | 0 | 0 | 113.2 | D332 L333 G337 A338 L339 W367 L369 | D332-Q335 PolarHBondContact O-N 3.18Å; D332-Q335 WeakPolarHBondContact OD2-CG 3.4Å; D332-Q335 PolarHBondContact OD2-NE2 2.67Å; L333-Q335 PolarHBondContact O-N 3.21Å; Q335-G337 VanDerWaalsContact C-N 3.28Å; Q335-G337 PolarHBondContact O-N 2.98Å; Q335-A338 WeakPolarHBondContact O-CB 3.37Å; Q335-A338 PolarHBondContact O-N 2.89Å; Q335-A338 VanDerWaalsContact O-N 3.11Å; Q335-L339 PolarHBondContact O-N 2.92Å; Q335-W367 VanDerWaalsContact OE1-CE3 3.28Å; Q335-L369 HydrophobicContact CB-CD1 3.74Å |
| 336 | V | 57.9 | Low | 65.3 | Low | 74 Ų | 74 | 67.7 Ų | 67.7 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 177.2 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | L333 A338 L339 C340 L369 | L333-V336 PolarHBondContact O-N 3.31Å; V336-A338 VanDerWaalsContact C-N 3.27Å; V336-A338 PolarHBondContact O-N 3.31Å; V336-L339 WeakPolarHBondContact O-CB 3.15Å; V336-L339 PolarHBondContact O-N 3.35Å; V336-C340 PolarHBondContact O-N 3.35Å; V336-L369 HydrophobicContact CG2-CD1 4.26Å |
| 337 | G | 54.1 | Low | 62.6 | Low | 36 Ų | 36 | 76.6 Ų | 76.6 | 37% | 0.371 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66 | -26 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | Q335 R341 | Q335-G337 VanDerWaalsContact C-N 3.28Å; Q335-G337 PolarHBondContact O-N 2.98Å; G337-R341 PolarHBondContact O-N 3.4Å |
| 338 | A | 55.6 | Low | 59.9 | Low | 54 Ų | 54 | 86.8 Ų | 86.8 | 45% | 0.446 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -75.4 | -35.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q335 V336 R341 R342 | Q335-A338 WeakPolarHBondContact O-CB 3.37Å; Q335-A338 PolarHBondContact O-N 2.89Å; Q335-A338 VanDerWaalsContact O-N 3.11Å; V336-A338 VanDerWaalsContact C-N 3.27Å; V336-A338 PolarHBondContact O-N 3.31Å; A338-R341 PolarHBondContact O-N 3.39Å; A338-R342 WeakPolarHBondContact O-CB 3.27Å; A338-R342 PolarHBondContact O-N 2.74Å |
| 339 | L | 52.1 | Low | 57.1 | Low | 61 Ų | 61 | 87.2 Ų | 87.2 | 32% | 0.319 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 176.2 | -141.6 | 95.1 | 0 | 0 | 0 | 112 | Q335 V336 R341 R342 Q343 L369 | Q335-L339 PolarHBondContact O-N 2.92Å; V336-L339 WeakPolarHBondContact O-CB 3.15Å; V336-L339 PolarHBondContact O-N 3.35Å; L339-R341 VanDerWaalsContact C-N 3.32Å; L339-R341 PolarHBondContact O-N 3.03Å; L339-R342 PolarHBondContact O-N 3.46Å; L339-Q343 PolarHBondContact O-N 3.38Å; L339-L369 HydrophobicContact CD1-CB 4.04Å; L339-L369 VanDerWaalsContact CD1-O 3.3Å; L339-L369 WeakPolarHBondContact CD1-O 3.35Å |
| 340 | C | 52 | Low | 54.3 | Low | 77 Ų | 77 | 94.7 Ų | 94.7 | 52% | 0.52 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 176.6 | -66.9 | 0 | 0 | 0 | 0 | 112.6 | V336 R344 | V336-C340 PolarHBondContact O-N 3.35Å; C340-R344 PolarHBondContact O-N 3.31Å |
| 341 | R | 54.5 | Low | 51.3 | Low | 188 Ų | 188 | 105.8 Ų | 105.8 | 71% | 0.709 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.2 | -40 | 174.1 | -101.1 | -176 | -86 | -159.9 | -3.9 | 111.9 | G337 A338 L339 R344 T345 | G337-R341 PolarHBondContact O-N 3.4Å; A338-R341 PolarHBondContact O-N 3.39Å; L339-R341 VanDerWaalsContact C-N 3.32Å; L339-R341 PolarHBondContact O-N 3.03Å; R341-R344 PolarHBondContact O-N 3.45Å; R341-T345 PolarHBondContact O-N 3.31Å; R341-T345 VanDerWaalsContact O-N 3.07Å; R341-T345 PolarHBondContact O-OG1 3.42Å |
| 342 | R | 50 | Low | 48.7 | Very low | 155 Ų | 155 | 110.3 Ų | 110.3 | 59% | 0.585 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.7 | -34.6 | 179.7 | -161.2 | 175.5 | -176 | -178.9 | 2.4 | 113 | A338 L339 R344 T345 A346 S368 | A338-R342 WeakPolarHBondContact O-CB 3.27Å; A338-R342 PolarHBondContact O-N 2.74Å; L339-R342 PolarHBondContact O-N 3.46Å; R342-R344 VanDerWaalsContact C-N 3.34Å; R342-T345 WeakPolarHBondContact CA-OG1 3.39Å; R342-T345 PolarHBondContact O-N 3.47Å; R342-T345 PolarHBondContact O-OG1 2.7Å; R342-T345 VanDerWaalsContact O-OG1 3.09Å; R342-A346 VanDerWaalsContact O-CB 3.24Å; R342-A346 WeakPolarHBondContact O-CB 3.49Å; R342-A346 PolarHBondContact O-N 2.77Å; R342-S368 PolarHBondContact NH1-OG 2.98Å |
| 343 | Q | 46.7 | Very low | 46.3 | Very low | 140 Ų | 140 | 117.8 Ų | 117.8 | 65% | 0.654 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.5 | -34.7 | 171.3 | -89 | -178.9 | -22 | 0 | 0 | 112.5 | L339 F347 | L339-Q343 PolarHBondContact O-N 3.38Å; Q343-F347 PolarHBondContact O-N 3.35Å; Q343-F347 VanDerWaalsContact O-N 3.15Å |
| 344 | R | 44.5 | Very low | 44.2 | Very low | 209 Ų | 209 | 120.1 Ų | 120.1 | 79% | 0.789 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.7 | -33.4 | 175 | -80.6 | -177 | 174.1 | 178.9 | -1 | 113.3 | C340 R341 R342 | C340-R344 PolarHBondContact O-N 3.31Å; R341-R344 PolarHBondContact O-N 3.45Å; R342-R344 VanDerWaalsContact C-N 3.34Å |
| 345 | T | 43 | Very low | 42.4 | Very low | 74 Ų | 74 | 121.1 Ų | 121.1 | 45% | 0.454 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -78.5 | -39.1 | 174.3 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | R341 R342 F347 R348 D349 | R341-T345 PolarHBondContact O-N 3.31Å; R341-T345 VanDerWaalsContact O-N 3.07Å; R341-T345 PolarHBondContact O-OG1 3.42Å; R342-T345 WeakPolarHBondContact CA-OG1 3.39Å; R342-T345 PolarHBondContact O-N 3.47Å; R342-T345 PolarHBondContact O-OG1 2.7Å; R342-T345 VanDerWaalsContact O-OG1 3.09Å; T345-F347 VanDerWaalsContact C-N 3.26Å; T345-F347 PolarHBondContact O-N 3.02Å; T345-R348 CarbonylContact O-C 3.55Å; T345-R348 WeakPolarHBondContact O-CA 3.23Å; T345-R348 PolarHBondContact O-N 3.06Å; T345-D349 PolarHBondContact O-N 2.72Å |
| 346 | A | 35.8 | Very low | 40.5 | Very low | 53 Ų | 53 | 123.4 Ų | 123.4 | 44% | 0.438 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -61.7 | -31.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R342 R348 | R342-A346 VanDerWaalsContact O-CB 3.24Å; R342-A346 WeakPolarHBondContact O-CB 3.49Å; R342-A346 PolarHBondContact O-N 2.77Å; A346-R348 VanDerWaalsContact C-N 3.29Å |
| 347 | F | 36.7 | Very low | 38.8 | Very low | 192 Ų | 192 | 125 Ų | 125 | 84% | 0.842 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74.5 | -18.8 | 173.1 | -130.6 | -91.5 | 0 | 0 | 0 | 113.5 | Q343 T345 | Q343-F347 PolarHBondContact O-N 3.35Å; Q343-F347 VanDerWaalsContact O-N 3.15Å; T345-F347 VanDerWaalsContact C-N 3.26Å; T345-F347 PolarHBondContact O-N 3.02Å |
| 348 | R | 36.9 | Very low | 37.5 | Very low | 216 Ų | 216 | 129 Ų | 129 | 82% | 0.815 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -94.4 | -25.5 | 178 | -163.7 | 171.7 | 168.7 | 176.8 | -5.1 | 112.3 | T345 A346 | T345-R348 CarbonylContact O-C 3.55Å; T345-R348 WeakPolarHBondContact O-CA 3.23Å; T345-R348 PolarHBondContact O-N 3.06Å; A346-R348 VanDerWaalsContact C-N 3.29Å |
| 349 | D | 32 | Very low | 35.9 | Very low | 88 Ų | 88 | 131.5 Ų | 131.5 | 47% | 0.471 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -89.8 | -2.3 | -178.4 | -71.6 | -23.1 | 0 | 0 | 0 | 115 | T345 R351 V352 | T345-D349 PolarHBondContact O-N 2.72Å; D349-R351 PolarHBondContact O-N 2.73Å; D349-V352 PolarHBondContact O-N 2.97Å |
| 350 | H | 31.8 | Very low | 34.6 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 80% | 0.801 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 14.5 | 168.1 | -95.2 | 35.4 | 0 | 0 | 0 | 114.5 | ||
| 351 | R | 30.8 | Very low | 33.5 | Very low | 232 Ų | 232 | 137.7 Ų | 137.7 | 88% | 0.875 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | -5.5 | 171.8 | -93.4 | -170.9 | -173 | -170.9 | 2.9 | 116.3 | D349 | D349-R351 PolarHBondContact O-N 2.73Š|
| 352 | V | 33.7 | Very low | 32.5 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 72% | 0.721 | 72% | 0.72 | S | S | * | * | trans | -150.4 | 106.6 | 177.4 | -171.5 | 0 | 0 | 0 | 0 | 110.7 | D349 | D349-V352 PolarHBondContact O-N 2.97Š| ||
| 353 | H | 28 | Very low | 31.7 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | trans | -128.5 | 117.5 | 162.4 | -89 | -14 | 0 | 0 | 0 | 109.7 | ||||
| 354 | S | 25.3 | Very low | 31.1 | Very low | 122 Ų | 122 | 131 Ų | 131 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | trans | 177.4 | 126.2 | 135.4 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 355 | G | 26.1 | Very low | 30.8 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 86% | 0.856 | 71% | 0.712 | S | S | * | * | trans | 86.7 | 92.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 356 | G | 23 | Very low | 30.5 | Very low | 74 Ų | 74 | 127.7 Ų | 127.7 | 76% | 0.763 | 73% | 0.73 | S | S | * | * | trans | 172.3 | 126.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 357 | S | 22.9 | Very low | 30.8 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | -42.2 | 142.8 | 179.5 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | S359 | S357-S359 PolarHBondContact O-N 3.48Š| ||
| 358 | P | 25.2 | Very low | 31.5 | Very low | 121 Ų | 121 | 121.9 Ų | 121.9 | 79% | 0.786 | 70% | 0.699 | S | S | * | * | trans | -70.8 | 107.3 | 173.2 | 29.4 | -30.2 | 0 | 0 | 0 | 109.3 | F360 | P358-F360 PolarHBondContact O-N 3.48Š| ||
| 359 | S | 23.7 | Very low | 32.4 | Very low | 106 Ų | 106 | 113 Ų | 113 | 74% | 0.741 | 67% | 0.668 | S | S | * | * | trans | -59.9 | 115.5 | 159.9 | 53 | 0 | 0 | 0 | 0 | 108.2 | S357 P361 | S357-S359 PolarHBondContact O-N 3.48Å; S359-P361 VanDerWaalsContact O-CD 3.29Å; S359-P361 WeakPolarHBondContact O-CD 3.42Å | ||
| 360 | F | 25.1 | Very low | 33.7 | Very low | 172 Ų | 172 | 110.1 Ų | 110.1 | 75% | 0.754 | 66% | 0.659 | S | S | * | * | trans | -54.8 | 119.5 | 172.7 | -85.5 | -92.9 | 0 | 0 | 0 | 109.8 | P358 L362 | P358-F360 PolarHBondContact O-N 3.48Å; F360-L362 PolarHBondContact O-N 2.87Å | ||
| 361 | P | 28.7 | Very low | 35.4 | Very low | 95 Ų | 95 | 107 Ų | 107 | 62% | 0.617 | 66% | 0.656 | S | S | * | * | trans | -72.8 | 100.2 | 167.5 | 28.1 | -28.6 | 0 | 0 | 0 | 108.5 | S359 T363 | S359-P361 VanDerWaalsContact O-CD 3.29Å; S359-P361 WeakPolarHBondContact O-CD 3.42Å; P361-T363 VanDerWaalsContact C-N 3.34Å; P361-T363 PolarHBondContact O-N 3.35Å | ||
| 362 | L | 32.3 | Very low | 37.5 | Very low | 144 Ų | 144 | 106.3 Ų | 106.3 | 75% | 0.754 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | 99.2 | 158.7 | -97.6 | 90 | 0 | 0 | 0 | 107.4 | F360 | F360-L362 PolarHBondContact O-N 2.87Š|
| 363 | T | 33.3 | Very low | 39.5 | Very low | 136 Ų | 136 | 102.8 Ų | 102.8 | 83% | 0.834 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 155.8 | -6.1 | 157.7 | 44.1 | 0 | 0 | 0 | 0 | 112.7 | P361 | P361-T363 VanDerWaalsContact C-N 3.34Å; P361-T363 PolarHBondContact O-N 3.35Å |
| 364 | S | 34.2 | Very low | 41.9 | Very low | 64 Ų | 64 | 98.7 Ų | 98.7 | 45% | 0.448 | 61% | 0.612 | S | S | . | * | trans | -145.4 | 96.5 | 170.3 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | G366 | S364-G366 PolarHBondContact O-N 3.38Š| ||
| 365 | F | 37.3 | Very low | 44.7 | Very low | 132 Ų | 132 | 98.6 Ų | 98.6 | 58% | 0.579 | 60% | 0.601 | S | S | * | * | trans | -66.3 | 87.5 | 170.1 | -91.1 | -87.1 | 0 | 0 | 0 | 109.3 | W367 L1208 | F365-W367 VanDerWaalsContact C-N 3.28Å; F365-W367 PolarHBondContact O-N 2.95Å; F365-L1208 HydrophobicContact CD2-CD2 3.8Å; F365-L1208 HydrophobicContact CE2-CD2 4.12Å | ||
| 366 | G | 36.9 | Very low | 47.5 | Very low | 80 Ų | 80 | 99.7 Ų | 99.7 | 83% | 0.825 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 69.9 | -1.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | S364 | S364-G366 PolarHBondContact O-N 3.38Š|
| 367 | W | 42.4 | Very low | 50.6 | Low | 68 Ų | 68 | 97.7 Ų | 97.7 | 26% | 0.258 | 56% | 0.558 | S | S | . | * | trans | -111.9 | 110.1 | 176.3 | -142 | 64.4 | 0 | 0 | 0 | 111.2 | Q335 F365 E373 P1211 | Q335-W367 VanDerWaalsContact OE1-CE3 3.28Å; F365-W367 VanDerWaalsContact C-N 3.28Å; F365-W367 PolarHBondContact O-N 2.95Å; W367-E373 VanDerWaalsContact CH2-CD 3.45Å; W367-E373 HydrophobicContact CH2-CG 4.14Å; W367-E373 WeakPolarHBondContact CH2-OE2 3.4Å; W367-E373 HydrophobicContact CZ2-CG 3.91Å; W367-E373 WeakPolarHBondContact CZ2-OE1 3.43Å; W367-E373 WeakPolarHBondContact CZ2-OE2 3.42Å; W367-E373 PolarHBondContact NE1-OE1 3.48Å; W367-P1211 HydrophobicContact CD2-CB 4.05Å; W367-P1211 HydrophobicContact CD2-CG 3.68Å; W367-P1211 VanDerWaalsContact CE2-CG 3.48Å; W367-P1211 HydrophobicContact CE3-CB 4.14Å; W367-P1211 HydrophobicContact CE3-CG 4.2Å; W367-P1211 HydrophobicContact CG-CG 3.99Å; W367-P1211 HydrophobicContact CH2-CB 3.63Å; W367-P1211 HydrophobicContact CH2-CG 4.3Å; W367-P1211 HydrophobicContact CZ2-CB 3.48Å; W367-P1211 VanDerWaalsContact CZ2-CB 3.48Å; W367-P1211 HydrophobicContact CZ2-CG 3.75Å; W367-P1211 HydrophobicContact CZ3-CB 3.98Å | ||
| 368 | S | 51 | Low | 53.7 | Low | 56 Ų | 56 | 95.6 Ų | 95.6 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | trans | -111.8 | 125.3 | 164.6 | 60.7 | 0 | 0 | 0 | 0 | 107.2 | R342 G370 | R342-S368 PolarHBondContact NH1-OG 2.98Å; S368-G370 PolarHBondContact O-N 2.89Å | ||
| 369 | L | 56 | Low | 56.8 | Low | 29 Ų | 29 | 92.9 Ų | 92.9 | 15% | 0.152 | 53% | 0.526 | C | S | . | . | trans | -34.7 | 101.7 | 170.1 | -97.3 | 152.7 | 0 | 0 | 0 | 110.6 | Q335 V336 L339 E373 F377 | Q335-L369 HydrophobicContact CB-CD1 3.74Å; V336-L369 HydrophobicContact CG2-CD1 4.26Å; L339-L369 HydrophobicContact CD1-CB 4.04Å; L339-L369 VanDerWaalsContact CD1-O 3.3Å; L339-L369 WeakPolarHBondContact CD1-O 3.35Å; L369-E373 WeakPolarHBondContact CA-OE2 3.35Å; L369-E373 HydrophobicContact CD2-CB 4.35Å; L369-F377 HydrophobicContact CD2-CD2 4.1Å; L369-F377 HydrophobicContact CD2-CE2 3.96Å | ||
| 370 | G | 60.4 | Low | 60 | Low | 27 Ų | 27 | 89.1 Ų | 89.1 | 28% | 0.278 | 50% | 0.498 | S | S | . | . | trans | -76.6 | 156.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S368 R372 E373 L374 | S368-G370 PolarHBondContact O-N 2.89Å; G370-R372 PolarHBondContact O-N 3.31Å; G370-E373 PolarHBondContact N-OE2 2.94Å; G370-E373 PolarHBondContact O-N 3.18Å; G370-L374 PolarHBondContact O-N 3.48Å | ||
| 371 | C | 66.8 | Low | 63.3 | Low | 109 Ų | 109 | 82.6 Ų | 82.6 | 74% | 0.736 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -54.6 | -30.8 | 173.4 | -66 | 0 | 0 | 0 | 0 | 112.4 | L375 | C371-L375 WeakPolarHBondContact O-CB 3.34Å; C371-L375 VanDerWaalsContact O-CG 3.22Å; C371-L375 WeakPolarHBondContact O-CG 3.3Å; C371-L375 PolarHBondContact O-N 3.12Å |
| 372 | R | 75.1 | Confident | 66.4 | Low | 216 Ų | 216 | 80.9 Ų | 80.9 | 82% | 0.815 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.4 | -45.2 | 176.3 | -69 | -176.7 | 176.7 | -177.9 | -0.9 | 112.8 | G370 L374 L375 L376 | G370-R372 PolarHBondContact O-N 3.31Å; R372-L374 VanDerWaalsContact C-N 3.35Å; R372-L375 PolarHBondContact O-N 2.9Å; R372-L376 VanDerWaalsContact O-CG 3.32Å; R372-L376 WeakPolarHBondContact O-CG 3.27Å; R372-L376 PolarHBondContact O-N 2.84Å |
| 373 | E | 76.2 | Confident | 69.4 | Low | 45 Ų | 45 | 76 Ų | 76 | 21% | 0.21 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 177.7 | -73.7 | 150.4 | -165 | 0 | 0 | 111 | W367 L369 G370 L375 L376 F377 | W367-E373 VanDerWaalsContact CH2-CD 3.45Å; W367-E373 HydrophobicContact CH2-CG 4.14Å; W367-E373 WeakPolarHBondContact CH2-OE2 3.4Å; W367-E373 HydrophobicContact CZ2-CG 3.91Å; W367-E373 WeakPolarHBondContact CZ2-OE1 3.43Å; W367-E373 WeakPolarHBondContact CZ2-OE2 3.42Å; W367-E373 PolarHBondContact NE1-OE1 3.48Å; L369-E373 WeakPolarHBondContact CA-OE2 3.35Å; L369-E373 HydrophobicContact CD2-CB 4.35Å; G370-E373 PolarHBondContact N-OE2 2.94Å; G370-E373 PolarHBondContact O-N 3.18Å; E373-L375 PolarHBondContact O-N 2.82Å; E373-L376 PolarHBondContact O-N 3.38Å; E373-F377 HydrophobicContact CB-CD2 4.47Å; E373-F377 HydrophobicContact CB-CE2 4.17Å; E373-F377 WeakPolarHBondContact O-CB 3.48Å; E373-F377 WeakPolarHBondContact O-CD2 3.5Å; E373-F377 WeakPolarHBondContact O-CG 3.34Å; E373-F377 PolarHBondContact O-N 2.85Å |
| 374 | L | 78.2 | Confident | 72.3 | Confident | 85 Ų | 85 | 69.6 Ų | 69.6 | 45% | 0.445 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 175.9 | -166.9 | 137.4 | 0 | 0 | 0 | 111.9 | G370 R372 S378 | G370-L374 PolarHBondContact O-N 3.48Å; R372-L374 VanDerWaalsContact C-N 3.35Å; L374-S378 VanDerWaalsContact O-CB 3.24Å; L374-S378 WeakPolarHBondContact O-CB 2.99Å; L374-S378 PolarHBondContact O-N 3.43Å; L374-S378 PolarHBondContact O-OG 3.22Å |
| 375 | L | 84.1 | Confident | 75.1 | Confident | 121 Ų | 121 | 67.9 Ų | 67.9 | 63% | 0.634 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 172.1 | -74.5 | 170.7 | 0 | 0 | 0 | 111.9 | C371 R372 E373 S378 S379 | C371-L375 WeakPolarHBondContact O-CB 3.34Å; C371-L375 VanDerWaalsContact O-CG 3.22Å; C371-L375 WeakPolarHBondContact O-CG 3.3Å; C371-L375 PolarHBondContact O-N 3.12Å; R372-L375 PolarHBondContact O-N 2.9Å; E373-L375 PolarHBondContact O-N 2.82Å; L375-S378 PolarHBondContact O-N 2.86Å; L375-S379 WeakPolarHBondContact O-CB 3.26Å; L375-S379 PolarHBondContact O-N 3.18Å; L375-S379 PolarHBondContact O-OG 3.33Å |
| 376 | L | 84.9 | Confident | 77.8 | Confident | 106 Ų | 106 | 64 Ų | 64 | 56% | 0.555 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.5 | -51.5 | 176.5 | -75 | 168.7 | 0 | 0 | 0 | 111.5 | R372 E373 S378 S379 L380 | R372-L376 VanDerWaalsContact O-CG 3.32Å; R372-L376 WeakPolarHBondContact O-CG 3.27Å; R372-L376 PolarHBondContact O-N 2.84Å; E373-L376 PolarHBondContact O-N 3.38Å; L376-S378 VanDerWaalsContact C-N 3.33Å; L376-S378 PolarHBondContact O-N 3.43Å; L376-S379 PolarHBondContact O-N 3.21Å; L376-S379 PolarHBondContact O-OG 2.85Å; L376-L380 WeakPolarHBondContact O-CG 3.38Å; L376-L380 PolarHBondContact O-N 3.45Å |
| 377 | F | 87.6 | Confident | 80.5 | Confident | 32 Ų | 32 | 62.6 Ų | 62.6 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 177.9 | -65 | -40.6 | 0 | 0 | 0 | 112.5 | F327 L331 L369 E373 L380 L381 Y695 L1213 | F327-F377 HydrophobicContact CE1-CB 4.19Å; F327-F377 WeakPolarHBondContact CE1-O 3.47Å; F327-F377 HydrophobicContact CZ-CB 4.07Å; F327-F377 HydrophobicContact CZ-CD1 4.04Å; F327-F377 HydrophobicContact CZ-CG 4.41Å; L331-F377 HydrophobicContact CD2-CD1 4.18Å; L331-F377 HydrophobicContact CD2-CE1 4.13Å; L331-F377 HydrophobicContact CD2-CG 4.41Å; L331-F377 HydrophobicContact CD2-CZ 4.32Å; L369-F377 HydrophobicContact CD2-CD2 4.1Å; L369-F377 HydrophobicContact CD2-CE2 3.96Å; E373-F377 HydrophobicContact CB-CD2 4.47Å; E373-F377 HydrophobicContact CB-CE2 4.17Å; E373-F377 WeakPolarHBondContact O-CB 3.48Å; E373-F377 WeakPolarHBondContact O-CD2 3.5Å; E373-F377 WeakPolarHBondContact O-CG 3.34Å; E373-F377 PolarHBondContact O-N 2.85Å; F377-L380 HydrophobicContact CD1-CD1 4.37Å; F377-L380 PolarHBondContact O-N 3.43Å; F377-L381 VanDerWaalsContact O-CB 3.31Å; F377-L381 WeakPolarHBondContact O-CB 3.24Å; F377-L381 PolarHBondContact O-N 2.7Å; F377-Y695 HydrophobicContact CE1-CE1 4.42Å; F377-L1213 HydrophobicContact CE1-CD1 3.69Å; F377-L1213 HydrophobicContact CZ-CD1 4.09Å |
| 378 | S | 88 | Confident | 82.9 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 44% | 0.441 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 174.8 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | L374 L375 L376 L381 A382 | L374-S378 VanDerWaalsContact O-CB 3.24Å; L374-S378 WeakPolarHBondContact O-CB 2.99Å; L374-S378 PolarHBondContact O-N 3.43Å; L374-S378 PolarHBondContact O-OG 3.22Å; L375-S378 PolarHBondContact O-N 2.86Å; L376-S378 VanDerWaalsContact C-N 3.33Å; L376-S378 PolarHBondContact O-N 3.43Å; S378-L381 PolarHBondContact O-N 3.39Å; S378-A382 WeakPolarHBondContact O-CB 3.45Å; S378-A382 PolarHBondContact O-N 3.38Å |
| 379 | S | 90.8 | Very high | 84.8 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 176.5 | 73.5 | 0 | 0 | 0 | 0 | 112.3 | L375 L376 A382 A383 | L375-S379 WeakPolarHBondContact O-CB 3.26Å; L375-S379 PolarHBondContact O-N 3.18Å; L375-S379 PolarHBondContact O-OG 3.33Å; L376-S379 PolarHBondContact O-N 3.21Å; L376-S379 PolarHBondContact O-OG 2.85Å; S379-A382 PolarHBondContact O-N 3.24Å; S379-A383 VanDerWaalsContact O-CB 3.31Å; S379-A383 WeakPolarHBondContact O-CB 3.45Å; S379-A383 PolarHBondContact O-N 3.09Å |
| 380 | L | 91.6 | Very high | 86.4 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 14% | 0.141 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 176 | -75.3 | 168.4 | 0 | 0 | 0 | 111.3 | F327 L376 F377 A383 A384 L473 F477 Y695 | F327-L380 HydrophobicContact CE2-CB 4.49Å; F327-L380 HydrophobicContact CZ-CB 4.24Å; L376-L380 WeakPolarHBondContact O-CG 3.38Å; L376-L380 PolarHBondContact O-N 3.45Å; F377-L380 HydrophobicContact CD1-CD1 4.37Å; F377-L380 PolarHBondContact O-N 3.43Å; L380-A383 PolarHBondContact O-N 3.41Å; L380-A384 WeakPolarHBondContact O-CB 3.5Å; L380-A384 PolarHBondContact O-N 2.94Å; L380-L473 HydrophobicContact CD2-CD1 3.55Å; L380-F477 HydrophobicContact CD2-CE2 4.08Å; L380-F477 HydrophobicContact CD2-CZ 4.21Å; L380-Y695 HydrophobicContact CD1-CE1 4.47Å |
| 381 | L | 93.7 | Very high | 87.8 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 19% | 0.188 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 176.2 | 179.5 | 59.2 | 0 | 0 | 0 | 111.6 | F327 L328 F377 S378 A383 A384 T385 | F327-L381 HydrophobicContact CB-CD1 4.14Å; F327-L381 HydrophobicContact CD1-CB 3.94Å; F327-L381 HydrophobicContact CD1-CD1 3.83Å; F327-L381 HydrophobicContact CD1-CD2 4.39Å; F327-L381 HydrophobicContact CD1-CG 4.27Å; F327-L381 HydrophobicContact CE1-CB 3.91Å; F327-L381 HydrophobicContact CG-CD1 4.25Å; L328-L381 HydrophobicContact CD2-CD2 4.34Å; F377-L381 VanDerWaalsContact O-CB 3.31Å; F377-L381 WeakPolarHBondContact O-CB 3.24Å; F377-L381 PolarHBondContact O-N 2.7Å; S378-L381 PolarHBondContact O-N 3.39Å; L381-A383 VanDerWaalsContact C-N 3.34Å; L381-A383 PolarHBondContact O-N 3.27Å; L381-A384 PolarHBondContact O-N 3.25Å; L381-T385 HydrophobicContact CD1-CG2 4.05Å; L381-T385 WeakPolarHBondContact O-CB 3.49Å; L381-T385 VanDerWaalsContact O-CG2 3.3Å; L381-T385 WeakPolarHBondContact O-CG2 3.32Å; L381-T385 PolarHBondContact O-N 3.36Å; L381-T385 PolarHBondContact O-OG1 2.97Å |
| 382 | A | 94 | Very high | 88.9 | Confident | 58 Ų | 58 | 57 Ų | 57 | 48% | 0.479 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S378 S379 T385 A386 | S378-A382 WeakPolarHBondContact O-CB 3.45Å; S378-A382 PolarHBondContact O-N 3.38Å; S379-A382 PolarHBondContact O-N 3.24Å; A382-T385 WeakPolarHBondContact CA-OG1 3.41Å; A382-T385 PolarHBondContact O-OG1 3.37Å; A382-T385 VanDerWaalsContact O-OG1 3.08Å; A382-A386 WeakPolarHBondContact O-CB 3.33Å; A382-A386 PolarHBondContact O-N 2.97Å |
| 383 | A | 94.7 | Very high | 89.4 | Confident | 43 Ų | 43 | 52.6 Ų | 52.6 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67 | -46.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | S379 L380 L381 T385 A386 E387 F477 | S379-A383 VanDerWaalsContact O-CB 3.31Å; S379-A383 WeakPolarHBondContact O-CB 3.45Å; S379-A383 PolarHBondContact O-N 3.09Å; L380-A383 PolarHBondContact O-N 3.41Å; L381-A383 VanDerWaalsContact C-N 3.34Å; L381-A383 PolarHBondContact O-N 3.27Å; A383-T385 PolarHBondContact O-N 3.03Å; A383-A386 PolarHBondContact O-N 2.97Å; A383-E387 WeakPolarHBondContact O-CB 3.36Å; A383-E387 PolarHBondContact O-N 2.88Å; A383-F477 HydrophobicContact CB-CE1 3.75Å; A383-F477 HydrophobicContact CB-CZ 3.9Å |
| 384 | A | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65 | -39.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T323 L380 L381 A388 F477 W509 | T323-A384 HydrophobicContact CG2-CB 4.16Å; L380-A384 WeakPolarHBondContact O-CB 3.5Å; L380-A384 PolarHBondContact O-N 2.94Å; L381-A384 PolarHBondContact O-N 3.25Å; A384-A388 VanDerWaalsContact O-CB 3.28Å; A384-A388 WeakPolarHBondContact O-CB 3.3Å; A384-A388 PolarHBondContact O-N 3.45Å; A384-F477 HydrophobicContact CB-CE1 4.31Å; A384-F477 HydrophobicContact CB-CZ 4.29Å; A384-W509 HydrophobicContact CB-CH2 4.25Å; A384-W509 HydrophobicContact CB-CZ2 3.82Å |
| 385 | T | 94.1 | Very high | 89.7 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 17% | 0.172 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.8 | -39.4 | 176.6 | 51.2 | 0 | 0 | 0 | 0 | 112.2 | L320 T323 S324 L381 A382 A383 G389 | L320-T385 WeakPolarHBondContact CD2-O 3.29Å; T323-T385 HydrophobicContact CG2-CG2 4.3Å; S324-T385 VanDerWaalsContact OG-CG2 3.24Å; S324-T385 WeakPolarHBondContact OG-CG2 3.26Å; L381-T385 HydrophobicContact CD1-CG2 4.05Å; L381-T385 WeakPolarHBondContact O-CB 3.49Å; L381-T385 VanDerWaalsContact O-CG2 3.3Å; L381-T385 WeakPolarHBondContact O-CG2 3.32Å; L381-T385 PolarHBondContact O-N 3.36Å; L381-T385 PolarHBondContact O-OG1 2.97Å; A382-T385 WeakPolarHBondContact CA-OG1 3.41Å; A382-T385 PolarHBondContact O-OG1 3.37Å; A382-T385 VanDerWaalsContact O-OG1 3.08Å; A383-T385 PolarHBondContact O-N 3.03Å; T385-G389 PolarHBondContact O-N 3.27Å |
| 386 | A | 93.9 | Very high | 88.7 | Confident | 51 Ų | 51 | 50.3 Ų | 50.3 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A382 A383 G389 L390 | A382-A386 WeakPolarHBondContact O-CB 3.33Å; A382-A386 PolarHBondContact O-N 2.97Å; A383-A386 PolarHBondContact O-N 2.97Å; A386-G389 PolarHBondContact O-N 2.95Å; A386-L390 WeakPolarHBondContact O-CB 3.45Å; A386-L390 WeakPolarHBondContact O-CD1 3.3Å; A386-L390 WeakPolarHBondContact O-CG 3.39Å; A386-L390 PolarHBondContact O-N 2.91Å |
| 387 | E | 93.9 | Very high | 87.5 | Confident | 50 Ų | 50 | 50 Ų | 50 | 23% | 0.234 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.7 | -55.9 | 175.2 | 179.6 | -171.4 | -153 | 0 | 0 | 111 | A383 G389 L390 L391 F477 | A383-E387 WeakPolarHBondContact O-CB 3.36Å; A383-E387 PolarHBondContact O-N 2.88Å; E387-G389 VanDerWaalsContact C-N 3.28Å; E387-G389 PolarHBondContact O-N 3.42Å; E387-L390 PolarHBondContact O-N 3.01Å; E387-L391 HydrophobicContact CG-CD1 3.6Å; E387-L391 HydrophobicContact CG-CG 4.31Å; E387-L391 WeakPolarHBondContact O-CB 3.36Å; E387-L391 VanDerWaalsContact O-CG 3.27Å; E387-L391 WeakPolarHBondContact O-CG 3.31Å; E387-L391 PolarHBondContact O-N 2.72Å; E387-F477 WeakPolarHBondContact OE2-CA 3.49Å; E387-F477 WeakPolarHBondContact OE2-CB 3.4Å; E387-F477 WeakPolarHBondContact OE2-CD1 3.38Å |
| 388 | A | 91.6 | Very high | 86 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58 | -41.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V319 T323 A384 H392 V480 | V319-A388 HydrophobicContact CG1-CB 3.75Å; T323-A388 HydrophobicContact CG2-CB 4.48Å; A384-A388 VanDerWaalsContact O-CB 3.28Å; A384-A388 WeakPolarHBondContact O-CB 3.3Å; A384-A388 PolarHBondContact O-N 3.45Å; A388-H392 VanDerWaalsContact O-CB 3.27Å; A388-H392 WeakPolarHBondContact O-CB 3.23Å; A388-H392 PolarHBondContact O-N 2.87Å; A388-V480 HydrophobicContact CB-CG1 3.61Å |
| 389 | G | 90.9 | Very high | 84.7 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 12% | 0.124 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.4 | -46.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T385 A386 E387 H393 | T385-G389 PolarHBondContact O-N 3.27Å; A386-G389 PolarHBondContact O-N 2.95Å; E387-G389 VanDerWaalsContact C-N 3.28Å; E387-G389 PolarHBondContact O-N 3.42Å; G389-H393 VanDerWaalsContact O-CB 3.27Å; G389-H393 WeakPolarHBondContact O-CB 3.26Å; G389-H393 PolarHBondContact O-N 2.79Å |
| 390 | L | 91.4 | Very high | 83.1 | Confident | 101 Ų | 101 | 49.9 Ų | 49.9 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65 | -46.1 | 179.4 | -70.5 | 169.1 | 0 | 0 | 0 | 111.2 | A386 E387 H393 F394 | A386-L390 WeakPolarHBondContact O-CB 3.45Å; A386-L390 WeakPolarHBondContact O-CD1 3.3Å; A386-L390 WeakPolarHBondContact O-CG 3.39Å; A386-L390 PolarHBondContact O-N 2.91Å; E387-L390 PolarHBondContact O-N 3.01Å; L390-H393 PolarHBondContact O-N 2.79Å; L390-F394 HydrophobicContact CB-CD2 4.48Å; L390-F394 HydrophobicContact CD2-CD2 4.38Å; L390-F394 HydrophobicContact CD2-CE2 3.81Å; L390-F394 VanDerWaalsContact O-CD2 3.25Å; L390-F394 WeakPolarHBondContact O-CD2 3.46Å; L390-F394 PolarHBondContact O-N 3.47Å |
| 391 | L | 88.6 | Confident | 81.4 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 21% | 0.209 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 179 | -66.8 | 174.3 | 0 | 0 | 0 | 111.2 | E387 H393 I395 A481 M485 | E387-L391 HydrophobicContact CG-CD1 3.6Å; E387-L391 HydrophobicContact CG-CG 4.31Å; E387-L391 WeakPolarHBondContact O-CB 3.36Å; E387-L391 VanDerWaalsContact O-CG 3.27Å; E387-L391 WeakPolarHBondContact O-CG 3.31Å; E387-L391 PolarHBondContact O-N 2.72Å; L391-H393 VanDerWaalsContact C-N 3.34Å; L391-H393 PolarHBondContact O-N 3.22Å; L391-I395 HydrophobicContact CD2-CD1 3.79Å; L391-I395 VanDerWaalsContact O-CB 3.26Å; L391-I395 WeakPolarHBondContact O-CB 3.34Å; L391-I395 PolarHBondContact O-N 2.95Å; L391-A481 HydrophobicContact CD1-CB 3.44Å; L391-A481 VanDerWaalsContact CD1-CB 3.44Å; L391-M485 HydrophobicContact CB-CE 3.97Å; L391-M485 HydrophobicContact CD1-CE 3.81Å; L391-M485 HydrophobicContact CD2-CE 3.65Å; L391-M485 HydrophobicContact CG-CE 4.01Å |
| 392 | H | 89.3 | Confident | 79.8 | Confident | 19 Ų | 19 | 56.7 Ų | 56.7 | 9% | 0.088 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 177.1 | -169.9 | 71.9 | 0 | 0 | 0 | 112.2 | S315 L316 A388 G396 S484 | S315-H392 WeakPolarHBondContact CB-NE2 3.33Å; S315-H392 PolarHBondContact OG-NE2 3.5Å; L316-H392 HydrophobicContact CD1-CB 4.45Å; A388-H392 VanDerWaalsContact O-CB 3.27Å; A388-H392 WeakPolarHBondContact O-CB 3.23Å; A388-H392 PolarHBondContact O-N 2.87Å; H392-G396 VanDerWaalsContact O-CA 3.29Å; H392-G396 WeakPolarHBondContact O-CA 3.45Å; H392-G396 PolarHBondContact O-N 3.36Å; H392-G396 VanDerWaalsContact O-N 3.08Å; H392-S484 PolarHBondContact ND1-O 2.77Å |
| 393 | H | 87.2 | Confident | 78.4 | Confident | 124 Ų | 124 | 54.8 Ų | 54.8 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68.4 | -46.4 | -178.6 | -174.2 | 68.8 | 0 | 0 | 0 | 113.2 | G389 L390 L391 | G389-H393 VanDerWaalsContact O-CB 3.27Å; G389-H393 WeakPolarHBondContact O-CB 3.26Å; G389-H393 PolarHBondContact O-N 2.79Å; L390-H393 PolarHBondContact O-N 2.79Å; L391-H393 VanDerWaalsContact C-N 3.34Å; L391-H393 PolarHBondContact O-N 3.22Å |
| 394 | F | 83.3 | Confident | 76.9 | Confident | 144 Ų | 144 | 56.8 Ų | 56.8 | 63% | 0.632 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -86.6 | -31.9 | -174.4 | -72.7 | -68.1 | 0 | 0 | 0 | 113.9 | L390 | L390-F394 HydrophobicContact CB-CD2 4.48Å; L390-F394 HydrophobicContact CD2-CD2 4.38Å; L390-F394 HydrophobicContact CD2-CE2 3.81Å; L390-F394 VanDerWaalsContact O-CD2 3.25Å; L390-F394 WeakPolarHBondContact O-CD2 3.46Å; L390-F394 PolarHBondContact O-N 3.47Å |
| 395 | I | 76.3 | Confident | 75.3 | Confident | 46 Ų | 46 | 62 Ų | 62 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -106.6 | -21 | -171.8 | -58.1 | 174.4 | 0 | 0 | 0 | 111.3 | L391 S397 A398 P407 M485 | L391-I395 HydrophobicContact CD2-CD1 3.79Å; L391-I395 VanDerWaalsContact O-CB 3.26Å; L391-I395 WeakPolarHBondContact O-CB 3.34Å; L391-I395 PolarHBondContact O-N 2.95Å; I395-S397 PolarHBondContact O-N 3.15Å; I395-S397 VanDerWaalsContact O-N 3.12Å; I395-A398 PolarHBondContact O-N 2.79Å; I395-P407 HydrophobicContact CG2-CB 3.39Å; I395-P407 HydrophobicContact CG2-CG 3.34Å; I395-M485 HydrophobicContact CD1-CE 3.82Å; I395-M485 HydrophobicContact CG2-CG 4.38Å; I395-M485 HydrophobicContact CG2-SD 4.13Å |
| 396 | G | 63.9 | Low | 74.3 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 12% | 0.124 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -60.2 | -22.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H392 Q399 R490 | H392-G396 VanDerWaalsContact O-CA 3.29Å; H392-G396 WeakPolarHBondContact O-CA 3.45Å; H392-G396 PolarHBondContact O-N 3.36Å; H392-G396 VanDerWaalsContact O-N 3.08Å; G396-Q399 PolarHBondContact O-OE1 3.5Å; G396-R490 PolarHBondContact O-NH2 2.83Å; G396-R490 VanDerWaalsContact O-NH2 3.17Å |
| 397 | S | 58.8 | Low | 73.3 | Confident | 101 Ų | 101 | 60.8 Ų | 60.8 | 71% | 0.706 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -81.5 | -18.3 | 175.3 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | I395 | I395-S397 PolarHBondContact O-N 3.15Å; I395-S397 VanDerWaalsContact O-N 3.12Å |
| 398 | A | 57.1 | Low | 72.7 | Confident | 68 Ų | 68 | 59.6 Ų | 59.6 | 56% | 0.562 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -103.7 | 18.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | I395 | I395-A398 PolarHBondContact O-N 2.79Š|
| 399 | Q | 60.3 | Low | 72.3 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | trans | -71.1 | 130.1 | -174.4 | -79.1 | 160.8 | -32.7 | 0 | 0 | 113.1 | G396 M485 D486 | G396-Q399 PolarHBondContact O-OE1 3.5Å; Q399-M485 PolarHBondContact NE2-O 2.99Å; Q399-D486 PolarHBondContact NE2-O 3.13Å | ||
| 400 | S | 56.8 | Low | 72.2 | Confident | 49 Ų | 49 | 63 Ų | 63 | 34% | 0.343 | 36% | 0.361 | S | S | . | . | trans | -109.6 | 149.4 | 168 | 62.2 | 0 | 0 | 0 | 0 | 110.1 | V402 G406 | S400-V402 PolarHBondContact O-N 3.37Å; S400-V402 VanDerWaalsContact O-N 3.16Å; S400-V402 PolarHBondContact OG-O 3Å; S400-G406 WeakPolarHBondContact OG-CA 3.48Å; S400-G406 PolarHBondContact OG-N 3.29Å | ||
| 401 | Q | 56.4 | Low | 72.1 | Confident | 146 Ų | 146 | 59.2 Ų | 59.2 | 68% | 0.682 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -67.1 | -8.9 | 175.5 | -72.5 | -176.8 | -25.8 | 0 | 0 | 113.6 | ||
| 402 | V | 60.3 | Low | 72.2 | Confident | 60 Ų | 60 | 57.4 Ų | 57.4 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | trans | -106.5 | 107.2 | -174.4 | 180 | 0 | 0 | 0 | 0 | 109.2 | S400 V404 T405 G406 | S400-V402 PolarHBondContact O-N 3.37Å; S400-V402 VanDerWaalsContact O-N 3.16Å; S400-V402 PolarHBondContact OG-O 3Å; V402-V404 HydrophobicContact CG1-CB 4.29Å; V402-V404 PolarHBondContact O-N 3.48Å; V402-V404 VanDerWaalsContact O-N 3.1Å; V402-T405 HydrophobicContact CG1-CG2 4.36Å; V402-T405 PolarHBondContact O-N 3.1Å; V402-T405 VanDerWaalsContact O-N 3.11Å; V402-T405 PolarHBondContact O-OG1 3.39Å; V402-G406 PolarHBondContact O-N 2.61Å | ||
| 403 | L | 64.2 | Low | 72.4 | Confident | 19 Ų | 19 | 62.3 Ų | 62.3 | 10% | 0.099 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -37.6 | -179.7 | -173.4 | 72.8 | 0 | 0 | 0 | 113.1 | Q408 G409 F482 I523 Q526 L527 | L403-Q408 HydrophobicContact CD1-CB 3.85Å; L403-G409 WeakPolarHBondContact O-CA 3.42Å; L403-G409 PolarHBondContact O-N 3.44Å; L403-F482 HydrophobicContact CD1-CE2 4.4Å; L403-I523 HydrophobicContact CD2-CG2 4.39Å; L403-Q526 HydrophobicContact CD2-CB 3.9Å; L403-L527 HydrophobicContact CD2-CD2 4.09Å; L403-L527 HydrophobicContact CD2-CG 4.13Å |
| 404 | V | 62.4 | Low | 72.7 | Confident | 84 Ų | 84 | 60.3 Ų | 60.3 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -30.8 | -175 | -178.9 | 0 | 0 | 0 | 0 | 113 | V402 L527 | V402-V404 HydrophobicContact CG1-CB 4.29Å; V402-V404 PolarHBondContact O-N 3.48Å; V402-V404 VanDerWaalsContact O-N 3.1Å; V404-L527 HydrophobicContact CG2-CD2 4Å |
| 405 | T | 61.4 | Low | 73.3 | Confident | 110 Ų | 110 | 53.5 Ų | 53.5 | 68% | 0.675 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -10.5 | -176.6 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | V402 | V402-T405 HydrophobicContact CG1-CG2 4.36Å; V402-T405 PolarHBondContact O-N 3.1Å; V402-T405 VanDerWaalsContact O-N 3.11Å; V402-T405 PolarHBondContact O-OG1 3.39Å |
| 406 | G | 72.6 | Confident | 74.2 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 12% | 0.124 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -87.7 | 171.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S400 V402 Q408 G409 | S400-G406 WeakPolarHBondContact OG-CA 3.48Å; S400-G406 PolarHBondContact OG-N 3.29Å; V402-G406 PolarHBondContact O-N 2.61Å; G406-Q408 PolarHBondContact O-N 3.05Å; G406-G409 PolarHBondContact O-N 3.14Å; G406-G409 VanDerWaalsContact O-N 3.15Å |
| 407 | P | 73.3 | Confident | 75.7 | Confident | 41 Ų | 41 | 58 Ų | 58 | 27% | 0.266 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -16.7 | 178.6 | 26.5 | -34.5 | 0 | 0 | 0 | 114.1 | I395 P410 | I395-P407 HydrophobicContact CG2-CB 3.39Å; I395-P407 HydrophobicContact CG2-CG 3.34Å; P407-P410 WeakPolarHBondContact O-CD 3.3Å; P407-P410 WeakPolarHBondContact O-CG 3.48Å |
| 408 | Q | 81.3 | Confident | 77.5 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 12% | 0.121 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75.8 | -19.6 | 174.8 | -72.5 | -176 | -41.4 | 0 | 0 | 113.8 | L403 G406 V411 S412 F482 M485 | L403-Q408 HydrophobicContact CD1-CB 3.85Å; G406-Q408 PolarHBondContact O-N 3.05Å; Q408-V411 PolarHBondContact O-N 2.81Å; Q408-S412 WeakPolarHBondContact O-CB 3.47Å; Q408-S412 PolarHBondContact O-N 3.06Å; Q408-S412 PolarHBondContact O-OG 2.95Å; Q408-F482 PolarHBondContact NE2-O 3.04Å; Q408-M485 HydrophobicContact CG-CB 3.78Å; Q408-M485 HydrophobicContact CG-SD 4.48Å; Q408-M485 VanDerWaalsContact NE2-C 3.34Å; Q408-M485 PolarHBondContact NE2-O 2.69Å; Q408-M485 VanDerWaalsContact NE2-O 3.1Å |
| 409 | G | 83.9 | Confident | 79.3 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.5 | -56.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L403 G406 V411 S412 Y413 | L403-G409 WeakPolarHBondContact O-CA 3.42Å; L403-G409 PolarHBondContact O-N 3.44Å; G406-G409 PolarHBondContact O-N 3.14Å; G406-G409 VanDerWaalsContact O-N 3.15Å; G409-V411 VanDerWaalsContact C-N 3.34Å; G409-V411 PolarHBondContact O-N 3.3Å; G409-S412 WeakPolarHBondContact O-CB 3.43Å; G409-S412 PolarHBondContact O-N 3.26Å; G409-S412 VanDerWaalsContact O-N 3.14Å; G409-Y413 WeakPolarHBondContact O-CD2 3.19Å; G409-Y413 PolarHBondContact O-N 3.35Å |
| 410 | P | 87.3 | Confident | 80.9 | Confident | 80 Ų | 80 | 54.2 Ų | 54.2 | 52% | 0.519 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 179.4 | 22.7 | -33.6 | 0 | 0 | 0 | 112.9 | P407 S412 Y413 I414 | P407-P410 WeakPolarHBondContact O-CD 3.3Å; P407-P410 WeakPolarHBondContact O-CG 3.48Å; P410-S412 VanDerWaalsContact C-N 3.27Å; P410-S412 PolarHBondContact O-N 2.9Å; P410-Y413 PolarHBondContact O-N 3.32Å; P410-I414 WeakPolarHBondContact O-CG1 3.29Å; P410-I414 PolarHBondContact O-N 3.25Å; P410-I414 VanDerWaalsContact O-N 3.15Å |
| 411 | V | 90.5 | Very high | 82.7 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 176.1 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | Q408 G409 I414 L415 V478 F482 M485 | Q408-V411 PolarHBondContact O-N 2.81Å; G409-V411 VanDerWaalsContact C-N 3.34Å; G409-V411 PolarHBondContact O-N 3.3Å; V411-I414 PolarHBondContact O-N 3.31Å; V411-L415 HydrophobicContact CG1-CD1 4.5Å; V411-L415 WeakPolarHBondContact O-CG 3.12Å; V411-L415 PolarHBondContact O-N 3.49Å; V411-V478 HydrophobicContact CG1-CG1 3.8Å; V411-F482 HydrophobicContact CG1-CB 3.96Å; V411-F482 HydrophobicContact CG1-CD2 4.42Å; V411-M485 HydrophobicContact CG2-CE 4.49Å |
| 412 | S | 90.3 | Very high | 84.4 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 178.6 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | Q408 G409 P410 I414 L415 I416 | Q408-S412 WeakPolarHBondContact O-CB 3.47Å; Q408-S412 PolarHBondContact O-N 3.06Å; Q408-S412 PolarHBondContact O-OG 2.95Å; G409-S412 WeakPolarHBondContact O-CB 3.43Å; G409-S412 PolarHBondContact O-N 3.26Å; G409-S412 VanDerWaalsContact O-N 3.14Å; P410-S412 VanDerWaalsContact C-N 3.27Å; P410-S412 PolarHBondContact O-N 2.9Å; S412-I414 VanDerWaalsContact C-N 3.35Å; S412-L415 PolarHBondContact O-N 3.46Å; S412-I416 WeakPolarHBondContact O-CG1 3.26Å; S412-I416 PolarHBondContact O-N 3.38Å; S412-I416 VanDerWaalsContact O-N 3.17Å |
| 413 | Y | 92.8 | Very high | 85.9 | Confident | 122 Ų | 122 | 51.2 Ų | 51.2 | 48% | 0.478 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 174.8 | -69.3 | -67.8 | 0 | 0 | 0 | 112.4 | G409 P410 L415 I416 I417 | G409-Y413 WeakPolarHBondContact O-CD2 3.19Å; G409-Y413 PolarHBondContact O-N 3.35Å; P410-Y413 PolarHBondContact O-N 3.32Å; Y413-L415 VanDerWaalsContact C-N 3.34Å; Y413-I416 PolarHBondContact O-N 3.36Å; Y413-I417 WeakPolarHBondContact O-CG1 3.44Å; Y413-I417 PolarHBondContact O-N 3.37Å |
| 414 | I | 94.6 | Very high | 87.2 | Confident | 83 Ų | 83 | 52.2 Ų | 52.2 | 43% | 0.426 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 174.8 | -66.1 | 167.7 | 0 | 0 | 0 | 110.4 | P410 V411 S412 I416 I417 L418 V478 | P410-I414 WeakPolarHBondContact O-CG1 3.29Å; P410-I414 PolarHBondContact O-N 3.25Å; P410-I414 VanDerWaalsContact O-N 3.15Å; V411-I414 PolarHBondContact O-N 3.31Å; S412-I414 VanDerWaalsContact C-N 3.35Å; I414-I416 VanDerWaalsContact C-N 3.35Å; I414-I416 PolarHBondContact O-N 3.4Å; I414-I417 PolarHBondContact O-N 2.93Å; I414-L418 HydrophobicContact CG2-CD1 3.76Å; I414-L418 HydrophobicContact CG2-CG 4.12Å; I414-L418 WeakPolarHBondContact O-CB 3.33Å; I414-L418 VanDerWaalsContact O-CG 3.3Å; I414-L418 WeakPolarHBondContact O-CG 3.3Å; I414-L418 PolarHBondContact O-N 3.09Å; I414-V478 HydrophobicContact CB-CG1 4.45Å; I414-V478 HydrophobicContact CG2-CG1 3.95Å; I414-V478 HydrophobicContact CG2-CG2 4.29Å |
| 415 | L | 94.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | 177.2 | -72.3 | 171.6 | 0 | 0 | 0 | 112.5 | V411 S412 Y413 L418 F419 V478 M479 F482 L516 M519 I523 | V411-L415 HydrophobicContact CG1-CD1 4.5Å; V411-L415 WeakPolarHBondContact O-CG 3.12Å; V411-L415 PolarHBondContact O-N 3.49Å; S412-L415 PolarHBondContact O-N 3.46Å; Y413-L415 VanDerWaalsContact C-N 3.34Å; L415-L418 PolarHBondContact O-N 3.42Å; L415-F419 WeakPolarHBondContact O-CB 3.24Å; L415-F419 PolarHBondContact O-N 3.24Å; L415-V478 HydrophobicContact CD2-CB 4.06Å; L415-V478 HydrophobicContact CD2-CG1 3.55Å; L415-V478 HydrophobicContact CG-CG1 3.76Å; L415-M479 HydrophobicContact CD2-CG 3.71Å; L415-F482 HydrophobicContact CD1-CB 4Å; L415-F482 HydrophobicContact CD1-CD2 4.15Å; L415-F482 HydrophobicContact CD1-CG 4.02Å; L415-L516 HydrophobicContact CB-CD1 4.34Å; L415-L516 HydrophobicContact CD2-CD1 3.65Å; L415-M519 HydrophobicContact CD1-SD 4.47Å; L415-I523 HydrophobicContact CB-CD1 4.26Å; L415-I523 HydrophobicContact CD1-CD1 3.74Å |
| 416 | I | 95.3 | Very high | 89.9 | Confident | 39 Ų | 39 | 45.9 Ų | 45.9 | 20% | 0.2 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | 175.9 | -65.1 | 168.4 | 0 | 0 | 0 | 110.6 | S412 Y413 I414 F419 S420 V520 I523 L524 L527 | S412-I416 WeakPolarHBondContact O-CG1 3.26Å; S412-I416 PolarHBondContact O-N 3.38Å; S412-I416 VanDerWaalsContact O-N 3.17Å; Y413-I416 PolarHBondContact O-N 3.36Å; I414-I416 VanDerWaalsContact C-N 3.35Å; I414-I416 PolarHBondContact O-N 3.4Å; I416-F419 PolarHBondContact O-N 3.36Å; I416-S420 PolarHBondContact O-N 2.67Å; I416-S420 PolarHBondContact O-OG 2.87Å; I416-V520 HydrophobicContact CG1-CG1 4.26Å; I416-V520 HydrophobicContact CG1-CG2 4.37Å; I416-I523 HydrophobicContact CD1-CG2 4.06Å; I416-L524 HydrophobicContact CD1-CD2 4.36Å; I416-L527 HydrophobicContact CD1-CD1 4.17Å |
| 417 | I | 95.6 | Very high | 90.7 | Very high | 113 Ų | 113 | 46.9 Ų | 46.9 | 58% | 0.579 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.4 | -45.7 | 178.8 | -66.9 | 166.5 | 0 | 0 | 0 | 110.7 | Y413 I414 F419 S420 L421 | Y413-I417 WeakPolarHBondContact O-CG1 3.44Å; Y413-I417 PolarHBondContact O-N 3.37Å; I414-I417 PolarHBondContact O-N 2.93Å; I417-F419 VanDerWaalsContact C-N 3.32Å; I417-F419 PolarHBondContact O-N 3.25Å; I417-S420 PolarHBondContact O-N 3.25Å; I417-L421 VanDerWaalsContact O-CB 3.31Å; I417-L421 WeakPolarHBondContact O-CB 3.37Å; I417-L421 PolarHBondContact O-N 3.32Å |
| 418 | L | 95.9 | Very high | 91.5 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 7% | 0.073 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 177.9 | -76.1 | 174.1 | 0 | 0 | 0 | 111.4 | I414 L415 L421 C422 L470 V474 V478 | I414-L418 HydrophobicContact CG2-CD1 3.76Å; I414-L418 HydrophobicContact CG2-CG 4.12Å; I414-L418 WeakPolarHBondContact O-CB 3.33Å; I414-L418 VanDerWaalsContact O-CG 3.3Å; I414-L418 WeakPolarHBondContact O-CG 3.3Å; I414-L418 PolarHBondContact O-N 3.09Å; L415-L418 PolarHBondContact O-N 3.42Å; L418-L421 PolarHBondContact O-N 2.95Å; L418-C422 VanDerWaalsContact O-CB 3.28Å; L418-C422 WeakPolarHBondContact O-CB 3.43Å; L418-C422 PolarHBondContact O-N 3.35Å; L418-C422 PolarHBondContact O-SG 2.75Å; L418-L470 HydrophobicContact CD2-CD2 4.17Å; L418-V474 HydrophobicContact CD1-CG1 4.19Å; L418-V474 HydrophobicContact CD2-CG1 4.09Å; L418-V478 HydrophobicContact CD1-CB 4.18Å; L418-V478 HydrophobicContact CD1-CG1 4.33Å; L418-V478 HydrophobicContact CD1-CG2 3.94Å |
| 419 | F | 95.4 | Very high | 91.8 | Very high | 49 Ų | 49 | 46.5 Ų | 46.5 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.8 | -51.7 | 176.1 | 173.8 | -103.4 | 0 | 0 | 0 | 111.7 | L415 I416 I417 L421 C422 W423 L516 L517 V520 | L415-F419 WeakPolarHBondContact O-CB 3.24Å; L415-F419 PolarHBondContact O-N 3.24Å; I416-F419 PolarHBondContact O-N 3.36Å; I417-F419 VanDerWaalsContact C-N 3.32Å; I417-F419 PolarHBondContact O-N 3.25Å; F419-L421 VanDerWaalsContact C-N 3.3Å; F419-L421 PolarHBondContact O-N 3.13Å; F419-C422 PolarHBondContact O-N 3.14Å; F419-W423 VanDerWaalsContact O-CB 3.25Å; F419-W423 WeakPolarHBondContact O-CB 3.45Å; F419-W423 PolarHBondContact O-N 3.46Å; F419-L516 HydrophobicContact CB-CD2 3.99Å; F419-L516 HydrophobicContact CB-CG 3.98Å; F419-L516 HydrophobicContact CD2-CD2 4.33Å; F419-L516 HydrophobicContact CD2-CG 4.24Å; F419-L517 HydrophobicContact CD2-CB 4.37Å; F419-L517 HydrophobicContact CE1-CD1 4.29Å; F419-L517 HydrophobicContact CE2-CB 3.88Å; F419-L517 HydrophobicContact CE2-CD1 3.69Å; F419-L517 HydrophobicContact CE2-CG 4.28Å; F419-L517 HydrophobicContact CZ-CD1 3.55Å; F419-V520 HydrophobicContact CB-CG2 3.81Å; F419-V520 HydrophobicContact CD1-CG1 4.41Å; F419-V520 HydrophobicContact CG-CG2 4.21Å |
| 420 | S | 93.8 | Very high | 92 | Very high | 65 Ų | 65 | 46.8 Ų | 46.8 | 46% | 0.455 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.3 | -41 | 179.2 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | I416 I417 A424 | I416-S420 PolarHBondContact O-N 2.67Å; I416-S420 PolarHBondContact O-OG 2.87Å; I417-S420 PolarHBondContact O-N 3.25Å; S420-A424 WeakPolarHBondContact O-CB 3.44Å; S420-A424 PolarHBondContact O-N 3.05Å |
| 421 | L | 94.4 | Very high | 91.9 | Very high | 74 Ų | 74 | 43.1 Ų | 43.1 | 39% | 0.387 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.8 | -49 | 177.6 | -177.4 | 59.9 | 0 | 0 | 0 | 111.8 | I417 L418 F419 W423 A424 L425 L470 | I417-L421 VanDerWaalsContact O-CB 3.31Å; I417-L421 WeakPolarHBondContact O-CB 3.37Å; I417-L421 PolarHBondContact O-N 3.32Å; L418-L421 PolarHBondContact O-N 2.95Å; F419-L421 VanDerWaalsContact C-N 3.3Å; F419-L421 PolarHBondContact O-N 3.13Å; L421-W423 VanDerWaalsContact C-N 3.3Å; L421-W423 PolarHBondContact O-N 3.01Å; L421-A424 PolarHBondContact O-N 2.91Å; L421-L425 HydrophobicContact CD1-CD1 4.07Å; L421-L425 HydrophobicContact CD1-CG 4.15Å; L421-L425 HydrophobicContact CG-CD1 3.96Å; L421-L425 HydrophobicContact CG-CG 4.44Å; L421-L425 WeakPolarHBondContact O-CB 3.4Å; L421-L425 VanDerWaalsContact O-CG 3.22Å; L421-L425 WeakPolarHBondContact O-CG 3.28Å; L421-L425 PolarHBondContact O-N 3.5Å; L421-L470 HydrophobicContact CD2-CD1 3.51Å; L421-L470 HydrophobicContact CG-CD1 3.94Å |
| 422 | C | 92.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.6 | -37.6 | 178.9 | -70.4 | 0 | 0 | 0 | 0 | 112.2 | L418 F419 R426 | L418-C422 VanDerWaalsContact O-CB 3.28Å; L418-C422 WeakPolarHBondContact O-CB 3.43Å; L418-C422 PolarHBondContact O-N 3.35Å; L418-C422 PolarHBondContact O-SG 2.75Å; F419-C422 PolarHBondContact O-N 3.14Å; C422-R426 WeakPolarHBondContact O-CB 3Å; C422-R426 PolarHBondContact O-N 3.1Å; C422-R426 VanDerWaalsContact O-N 3.14Å |
| 423 | W | 91.6 | Very high | 91.5 | Very high | 114 Ų | 114 | 44.4 Ų | 44.4 | 43% | 0.432 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.2 | -51.3 | 174.6 | 178.8 | 82 | 0 | 0 | 0 | 111.3 | F419 L421 L425 R426 E427 | F419-W423 VanDerWaalsContact O-CB 3.25Å; F419-W423 WeakPolarHBondContact O-CB 3.45Å; F419-W423 PolarHBondContact O-N 3.46Å; L421-W423 VanDerWaalsContact C-N 3.3Å; L421-W423 PolarHBondContact O-N 3.01Å; W423-L425 PolarHBondContact O-N 3.15Å; W423-R426 VanDerWaalsContact CD1-NH2 3.33Å; W423-R426 WeakPolarHBondContact O-CB 3.38Å; W423-R426 PolarHBondContact O-N 3.25Å; W423-R426 VanDerWaalsContact O-N 3.15Å; W423-E427 HydrophobicContact CD2-CG 4.3Å; W423-E427 HydrophobicContact CZ2-CG 4.07Å; W423-E427 WeakPolarHBondContact O-CG 3.49Å; W423-E427 PolarHBondContact O-N 3.16Å; W423-E427 VanDerWaalsContact O-N 3.12Å |
| 424 | A | 91 | Very high | 91 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 33% | 0.331 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.6 | -44.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S420 L421 R426 E427 I428 | S420-A424 WeakPolarHBondContact O-CB 3.44Å; S420-A424 PolarHBondContact O-N 3.05Å; L421-A424 PolarHBondContact O-N 2.91Å; A424-R426 PolarHBondContact O-N 3.18Å; A424-E427 PolarHBondContact O-N 2.84Å; A424-I428 WeakPolarHBondContact O-CG1 3.49Å; A424-I428 PolarHBondContact O-N 3.4Å |
| 425 | L | 91.9 | Very high | 90.1 | Very high | 21 Ų | 21 | 41.9 Ų | 41.9 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -29.8 | 178.1 | -66.2 | 171.6 | 0 | 0 | 0 | 112.6 | L421 W423 Q429 V463 I466 R467 L470 | L421-L425 HydrophobicContact CD1-CD1 4.07Å; L421-L425 HydrophobicContact CD1-CG 4.15Å; L421-L425 HydrophobicContact CG-CD1 3.96Å; L421-L425 HydrophobicContact CG-CG 4.44Å; L421-L425 WeakPolarHBondContact O-CB 3.4Å; L421-L425 VanDerWaalsContact O-CG 3.22Å; L421-L425 WeakPolarHBondContact O-CG 3.28Å; L421-L425 PolarHBondContact O-N 3.5Å; W423-L425 PolarHBondContact O-N 3.15Å; L425-Q429 WeakPolarHBondContact O-CG 3.27Å; L425-V463 HydrophobicContact CB-CG1 4.4Å; L425-V463 HydrophobicContact CD2-CG1 3.67Å; L425-I466 HydrophobicContact CD1-CG2 4.17Å; L425-R467 HydrophobicContact CB-CB 3.95Å; L425-R467 HydrophobicContact CB-CG 4.21Å; L425-R467 HydrophobicContact CD1-CB 4.05Å; L425-L470 HydrophobicContact CD1-CD1 3.76Å |
| 426 | R | 89.9 | Confident | 89.3 | Confident | 39 Ų | 39 | 42.2 Ų | 42.2 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.3 | -47.9 | 175.5 | -174.2 | -174.9 | 70.1 | -167.3 | 2.4 | 111.6 | C422 W423 A424 I428 Q429 E513 | C422-R426 WeakPolarHBondContact O-CB 3Å; C422-R426 PolarHBondContact O-N 3.1Å; C422-R426 VanDerWaalsContact O-N 3.14Å; W423-R426 VanDerWaalsContact CD1-NH2 3.33Å; W423-R426 WeakPolarHBondContact O-CB 3.38Å; W423-R426 PolarHBondContact O-N 3.25Å; W423-R426 VanDerWaalsContact O-N 3.15Å; A424-R426 PolarHBondContact O-N 3.18Å; R426-I428 PolarHBondContact O-N 3.29Å; R426-Q429 WeakPolarHBondContact O-CB 3.03Å; R426-Q429 PolarHBondContact O-N 2.8Å; R426-E513 WeakPolarHBondContact CD-OE1 3.42Å; R426-E513 IonicContact CZ-OE1 3.86Å; R426-E513 IonicContact NE-OE1 2.92Å; R426-E513 IonicContact NH1-OE1 3.27Å; R426-E513 PolarHBondContact NH1-OE1 3.46Å |
| 427 | E | 88.4 | Confident | 88.8 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -27.4 | -177.9 | -64 | -64.6 | 133.2 | 0 | 0 | 112.1 | W423 A424 Q429 V433 V434 | W423-E427 HydrophobicContact CD2-CG 4.3Å; W423-E427 HydrophobicContact CZ2-CG 4.07Å; W423-E427 WeakPolarHBondContact O-CG 3.49Å; W423-E427 PolarHBondContact O-N 3.16Å; W423-E427 VanDerWaalsContact O-N 3.12Å; A424-E427 PolarHBondContact O-N 2.84Å; E427-Q429 VanDerWaalsContact C-N 3.28Å; E427-Q429 PolarHBondContact O-N 2.92Å; E427-V433 HydrophobicContact CB-CG1 3.98Å; E427-V434 PolarHBondContact OE2-N 3.03Å |
| 428 | I | 89.3 | Confident | 88.3 | Confident | 53 Ų | 53 | 42.5 Ų | 42.5 | 27% | 0.272 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -22.7 | 175.2 | -67.7 | 165.6 | 0 | 0 | 0 | 112.9 | A424 R426 N440 L442 L460 V463 | A424-I428 WeakPolarHBondContact O-CG1 3.49Å; A424-I428 PolarHBondContact O-N 3.4Å; R426-I428 PolarHBondContact O-N 3.29Å; I428-N440 PolarHBondContact O-ND2 3.45Å; I428-L442 HydrophobicContact CG2-CD1 3.96Å; I428-L460 HydrophobicContact CG2-CD2 4Å; I428-L460 WeakPolarHBondContact O-CD2 3.47Å; I428-V463 HydrophobicContact CG2-CG1 4.33Å |
| 429 | Q | 89.3 | Confident | 87.8 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -26.7 | -173 | -64.5 | -67 | -43.3 | 0 | 0 | 114.4 | L425 R426 E427 L460 V463 | L425-Q429 WeakPolarHBondContact O-CG 3.27Å; R426-Q429 WeakPolarHBondContact O-CB 3.03Å; R426-Q429 PolarHBondContact O-N 2.8Å; E427-Q429 VanDerWaalsContact C-N 3.28Å; E427-Q429 PolarHBondContact O-N 2.92Å; Q429-L460 PolarHBondContact NE2-O 3.42Å; Q429-L460 PolarHBondContact OE1-O 3.3Å; Q429-V463 VanDerWaalsContact NE2-CG1 3.32Å |
| 430 | G | 86.8 | Confident | 87.5 | Confident | 10 Ų | 10 | 41 Ų | 41 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -85.2 | 161.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y432 N440 | G430-Y432 PolarHBondContact O-N 2.77Å; G430-N440 VanDerWaalsContact O-CB 3.24Å; G430-N440 WeakPolarHBondContact O-CB 3.27Å; G430-N440 PolarHBondContact O-ND2 2.98Å |
| 431 | A | 86.4 | Confident | 86.9 | Confident | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -64.3 | -28.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | N440 Y443 F728 C751 | A431-N440 WeakPolarHBondContact O-CB 3.27Å; A431-N440 PolarHBondContact O-N 3.32Å; A431-Y443 HydrophobicContact CB-CD1 4.29Å; A431-Y443 HydrophobicContact CB-CE1 4.42Å; A431-Y443 HydrophobicContact CB-CG 4.43Å; A431-F728 HydrophobicContact CB-CE1 3.81Å; A431-F728 HydrophobicContact CB-CZ 4.33Å; A431-C751 WeakPolarHBondContact CB-O 3.47Å; A431-C751 PolarHBondContact N-O 3.15Å |
| 432 | Y | 87.4 | Confident | 86.4 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 6% | 0.059 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 153 | 174 | -69.2 | -91.1 | 0 | 0 | 0 | 111.4 | G430 F438 L439 A727 N741 P750 | G430-Y432 PolarHBondContact O-N 2.77Å; Y432-F438 CarbonylContact C-O 3.44Å; Y432-F438 VanDerWaalsContact CA-O 3.22Å; Y432-F438 WeakPolarHBondContact CA-O 3.2Å; Y432-F438 WeakPolarHBondContact CD1-O 3.42Å; Y432-L439 HydrophobicContact CD1-CD2 3.95Å; Y432-L439 HydrophobicContact CD1-CG 4.13Å; Y432-L439 HydrophobicContact CE1-CB 4.5Å; Y432-L439 HydrophobicContact CE1-CD2 3.32Å; Y432-L439 HydrophobicContact CE1-CG 3.57Å; Y432-L439 HydrophobicContact CE2-CD2 4.13Å; Y432-L439 VanDerWaalsContact CZ-CD2 3.43Å; Y432-A727 HydrophobicContact CE2-CB 3.65Å; Y432-N741 HydrophobicContact CD1-CB 4.08Å; Y432-N741 HydrophobicContact CE1-CB 3.56Å; Y432-P750 HydrophobicContact CD2-CB 4.29Å; Y432-P750 HydrophobicContact CE2-CB 3.84Å; Y432-P750 HydrophobicContact CE2-CG 3.85Å |
| 433 | V | 85.3 | Confident | 86.1 | Confident | 35 Ų | 35 | 45.3 Ų | 45.3 | 21% | 0.212 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 153.3 | 178.7 | -164.2 | 0 | 0 | 0 | 0 | 108.8 | E427 M437 F438 N440 | E427-V433 HydrophobicContact CB-CG1 3.98Å; V433-M437 PolarHBondContact O-N 3.31Å; V433-F438 PolarHBondContact N-O 2.89Å; V433-F438 PolarHBondContact O-N 3.34Å; V433-N440 HydrophobicContact CG2-CB 3.64Å |
| 434 | V | 82.2 | Confident | 85.7 | Confident | 68 Ų | 68 | 40.5 Ų | 40.5 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 71.9 | 175.1 | -168.5 | 0 | 0 | 0 | 0 | 111 | E427 G436 M437 F438 | E427-V434 PolarHBondContact OE2-N 3.03Å; V434-G436 PolarHBondContact O-N 3.44Å; V434-M437 WeakPolarHBondContact O-CB 3.41Å; V434-M437 WeakPolarHBondContact O-CG 3.25Å; V434-M437 PolarHBondContact O-N 3.43Å; V434-M437 VanDerWaalsContact O-N 3.08Å; V434-F438 HydrophobicContact CB-CD2 4.26Å; V434-F438 HydrophobicContact CG2-CD2 4.46Å |
| 435 | A | 74.4 | Confident | 84.9 | Confident | 84 Ų | 84 | 40.7 Ų | 40.7 | 69% | 0.694 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 31.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | W744 | A435-W744 PolarHBondContact O-NE1 2.81Š|
| 436 | G | 79.2 | Confident | 83.7 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 6% | 0.062 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 9.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | V434 N741 | V434-G436 PolarHBondContact O-N 3.44Å; G436-N741 WeakPolarHBondContact O-CB 3.35Å; G436-N741 PolarHBondContact O-ND2 3.44Å |
| 437 | M | 84.1 | Confident | 82.6 | Confident | 58 Ų | 58 | 42.1 Ų | 42.1 | 29% | 0.286 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -38.5 | -174.5 | -67.7 | -179.5 | 67.6 | 0 | 0 | 113.5 | V433 V434 F740 N741 | V433-M437 PolarHBondContact O-N 3.31Å; V434-M437 WeakPolarHBondContact O-CB 3.41Å; V434-M437 WeakPolarHBondContact O-CG 3.25Å; V434-M437 PolarHBondContact O-N 3.43Å; V434-M437 VanDerWaalsContact O-N 3.08Å; M437-F740 HydrophobicContact CE-CE2 4.11Å; M437-N741 WeakPolarHBondContact O-CB 3.47Å; M437-N741 PolarHBondContact O-N 3.06Å |
| 438 | F | 86 | Confident | 81.6 | Confident | 100 Ų | 100 | 46.3 Ų | 46.3 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136.8 | -173.4 | -60.5 | -78.4 | 0 | 0 | 0 | 111.5 | Y432 V433 V434 G739 F740 | Y432-F438 CarbonylContact C-O 3.44Å; Y432-F438 VanDerWaalsContact CA-O 3.22Å; Y432-F438 WeakPolarHBondContact CA-O 3.2Å; Y432-F438 WeakPolarHBondContact CD1-O 3.42Å; V433-F438 PolarHBondContact N-O 2.89Å; V433-F438 PolarHBondContact O-N 3.34Å; V434-F438 HydrophobicContact CB-CD2 4.26Å; V434-F438 HydrophobicContact CG2-CD2 4.46Å; F438-G739 WeakPolarHBondContact CA-O 3.43Å; F438-F740 HydrophobicContact CE1-CD2 4.39Å |
| 439 | L | 85.1 | Confident | 81.2 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 132.5 | 174 | -76.4 | 163.5 | 0 | 0 | 0 | 110.6 | Y432 P441 G739 | Y432-L439 HydrophobicContact CD1-CD2 3.95Å; Y432-L439 HydrophobicContact CD1-CG 4.13Å; Y432-L439 HydrophobicContact CE1-CB 4.5Å; Y432-L439 HydrophobicContact CE1-CD2 3.32Å; Y432-L439 HydrophobicContact CE1-CG 3.57Å; Y432-L439 HydrophobicContact CE2-CD2 4.13Å; Y432-L439 VanDerWaalsContact CZ-CD2 3.43Å; L439-P441 WeakPolarHBondContact O-CD 3.42Å; L439-G739 PolarHBondContact N-O 2.95Å |
| 440 | N | 87.4 | Confident | 80.9 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | trans | -73 | 121.4 | 175.9 | -173.6 | -2.5 | 0 | 0 | 0 | 110 | I428 G430 A431 V433 L442 K445 | I428-N440 PolarHBondContact O-ND2 3.45Å; G430-N440 VanDerWaalsContact O-CB 3.24Å; G430-N440 WeakPolarHBondContact O-CB 3.27Å; G430-N440 PolarHBondContact O-ND2 2.98Å; A431-N440 WeakPolarHBondContact O-CB 3.27Å; A431-N440 PolarHBondContact O-N 3.32Å; V433-N440 HydrophobicContact CG2-CB 3.64Å; N440-L442 VanDerWaalsContact C-N 3.3Å; N440-L442 WeakPolarHBondContact OD1-CB 3.48Å; N440-L442 PolarHBondContact OD1-N 2.85Å; N440-K445 WeakPolarHBondContact O-CE 3.46Å; N440-K445 PolarHBondContact O-NZ 3.33Å | ||
| 441 | P | 82.4 | Confident | 80.8 | Confident | 109 Ų | 109 | 54.2 Ų | 54.2 | 71% | 0.708 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -21.4 | 175.6 | 29.4 | -34.5 | 0 | 0 | 0 | 113 | L439 | L439-P441 WeakPolarHBondContact O-CD 3.42Š|
| 442 | L | 84.4 | Confident | 80.6 | Confident | 113 Ų | 113 | 56.3 Ų | 56.3 | 59% | 0.592 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -12.2 | -178.8 | -58.8 | 175 | 0 | 0 | 0 | 113 | I428 N440 | I428-L442 HydrophobicContact CG2-CD1 3.96Å; N440-L442 VanDerWaalsContact C-N 3.3Å; N440-L442 WeakPolarHBondContact OD1-CB 3.48Å; N440-L442 PolarHBondContact OD1-N 2.85Å |
| 443 | Y | 85.3 | Confident | 80.6 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -82 | 134.5 | -179.1 | -166.4 | -87.2 | 0 | 0 | 0 | 111 | A431 K445 F453 L460 F728 A752 A753 | A431-Y443 HydrophobicContact CB-CD1 4.29Å; A431-Y443 HydrophobicContact CB-CE1 4.42Å; A431-Y443 HydrophobicContact CB-CG 4.43Å; Y443-K445 PolarHBondContact O-N 3.02Å; Y443-F453 HydrophobicContact CE1-CE2 4.3Å; Y443-L460 HydrophobicContact CD2-CD1 4.23Å; Y443-F728 AromaticContact CE1-CD1 3.98Å; Y443-F728 HydrophobicContact CE1-CD1 3.98Å; Y443-F728 AromaticContact CE1-CE1 3.79Å; Y443-F728 HydrophobicContact CE1-CE1 3.79Å; Y443-A752 WeakPolarHBondContact OH-CA 3.36Å; Y443-A753 PolarHBondContact OH-N 3.46Å |
| 444 | P | 82.8 | Confident | 80.5 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 8% | 0.084 | 35% | 0.345 | C | S | . | . | trans | -61.8 | 128 | 180 | 23 | -33.7 | 0 | 0 | 0 | 113.1 | M447 F453 K456 | P444-M447 HydrophobicContact CB-CE 3.34Å; P444-F453 HydrophobicContact CB-CD2 3.99Å; P444-F453 HydrophobicContact CB-CE2 4.05Å; P444-F453 HydrophobicContact CG-CD2 3.81Å; P444-F453 HydrophobicContact CG-CE2 3.41Å; P444-F453 VanDerWaalsContact CG-CE2 3.41Å; P444-F453 HydrophobicContact CG-CZ 4.03Å; P444-K456 HydrophobicContact CB-CB 4.37Å | ||
| 445 | K | 74.2 | Confident | 80.7 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 19% | 0.191 | 35% | 0.354 | C | S | . | . | trans | -121.8 | 156.6 | -179.1 | -63.7 | 173.4 | -171 | 173.1 | 0 | 113.2 | N440 Y443 M447 | N440-K445 WeakPolarHBondContact O-CE 3.46Å; N440-K445 PolarHBondContact O-NZ 3.33Å; Y443-K445 PolarHBondContact O-N 3.02Å; K445-M447 WeakPolarHBondContact O-CE 3.45Å; K445-M447 PolarHBondContact O-N 3.41Å | ||
| 446 | G | 67.4 | Low | 81.2 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 57% | 0.567 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 64.8 | 32.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | F728 | G446-F728 PolarHBondContact N-O 3.05Š|
| 447 | M | 67.8 | Low | 81.5 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 17% | 0.172 | 35% | 0.347 | C | S | . | . | trans | -117.1 | 108.2 | -175.9 | -79.7 | 171.5 | -92.1 | 0 | 0 | 110.9 | P444 K445 K456 L1144 | P444-M447 HydrophobicContact CB-CE 3.34Å; K445-M447 WeakPolarHBondContact O-CE 3.45Å; K445-M447 PolarHBondContact O-N 3.41Å; M447-K456 HydrophobicContact CE-CD 3.63Å; M447-K456 HydrophobicContact CE-CG 4.45Å; M447-K456 HydrophobicContact SD-CD 3.79Å; M447-K456 HydrophobicContact SD-CG 4.19Å; M447-L1144 WeakPolarHBondContact O-CD1 3.19Å | ||
| 448 | S | 67.3 | Low | 81.5 | Confident | 121 Ų | 121 | 70 Ų | 70 | 85% | 0.846 | 37% | 0.365 | S | S | * | . | trans | -78.3 | -27.9 | 168.9 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 449 | N | 80.3 | Confident | 81.5 | Confident | 78 Ų | 78 | 67.5 Ų | 67.5 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | trans | -84.6 | 119.4 | 180 | -172.3 | -9.9 | 0 | 0 | 0 | 112.2 | Q451 S452 F453 | N449-Q451 VanDerWaalsContact C-N 3.29Å; N449-Q451 PolarHBondContact O-N 3.48Å; N449-Q451 PolarHBondContact OD1-N 2.92Å; N449-S452 PolarHBondContact O-N 3.21Å; N449-F453 PolarHBondContact O-N 3.48Å; N449-F453 VanDerWaalsContact O-N 3.14Å | ||
| 450 | V | 83.3 | Confident | 81.7 | Confident | 10 Ų | 10 | 67.1 Ų | 67.1 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.7 | -38.5 | 177.6 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | F453 K454 A755 E1142 L1144 | V450-F453 PolarHBondContact O-N 3.27Å; V450-K454 HydrophobicContact CG1-CD 4.1Å; V450-K454 HydrophobicContact CG1-CG 4.35Å; V450-K454 WeakPolarHBondContact O-CB 3.39Å; V450-K454 WeakPolarHBondContact O-CG 3.29Å; V450-K454 PolarHBondContact O-N 2.95Å; V450-A755 HydrophobicContact CG1-CB 3.65Å; V450-E1142 HydrophobicContact CG1-CB 4.45Å; V450-E1142 HydrophobicContact CG2-CB 4.3Å; V450-E1142 VanDerWaalsContact CG2-O 3.24Å; V450-E1142 WeakPolarHBondContact CG2-O 3.46Å; V450-L1144 HydrophobicContact CG1-CD2 4.44Å; V450-L1144 HydrophobicContact CG2-CD2 4.33Å; V450-L1144 HydrophobicContact CG2-CG 4.13Å |
| 451 | Q | 84.3 | Confident | 81.7 | Confident | 147 Ų | 147 | 71.6 Ų | 71.6 | 69% | 0.687 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66 | -44 | -177.7 | -65.7 | -175.1 | -8.1 | 0 | 0 | 111.5 | N449 F453 K454 Q455 | N449-Q451 VanDerWaalsContact C-N 3.29Å; N449-Q451 PolarHBondContact O-N 3.48Å; N449-Q451 PolarHBondContact OD1-N 2.92Å; Q451-F453 VanDerWaalsContact C-N 3.32Å; Q451-F453 PolarHBondContact O-N 2.82Å; Q451-K454 PolarHBondContact O-N 2.99Å; Q451-Q455 PolarHBondContact O-N 2.98Å |
| 452 | S | 83.1 | Confident | 82 | Confident | 47 Ų | 47 | 69 Ų | 69 | 33% | 0.329 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | N449 Q455 K456 | N449-S452 PolarHBondContact O-N 3.21Å; S452-Q455 PolarHBondContact O-N 2.73Å; S452-K456 PolarHBondContact O-N 2.72Å |
| 453 | F | 85.9 | Confident | 82.4 | Confident | 23 Ų | 23 | 65.4 Ų | 65.4 | 10% | 0.101 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.8 | -46 | 175.3 | -178.4 | -91.6 | 0 | 0 | 0 | 112 | Y443 P444 N449 V450 Q451 Q455 K456 S457 A753 L1144 | Y443-F453 HydrophobicContact CE1-CE2 4.3Å; P444-F453 HydrophobicContact CB-CD2 3.99Å; P444-F453 HydrophobicContact CB-CE2 4.05Å; P444-F453 HydrophobicContact CG-CD2 3.81Å; P444-F453 HydrophobicContact CG-CE2 3.41Å; P444-F453 VanDerWaalsContact CG-CE2 3.41Å; P444-F453 HydrophobicContact CG-CZ 4.03Å; N449-F453 PolarHBondContact O-N 3.48Å; N449-F453 VanDerWaalsContact O-N 3.14Å; V450-F453 PolarHBondContact O-N 3.27Å; Q451-F453 VanDerWaalsContact C-N 3.32Å; Q451-F453 PolarHBondContact O-N 2.82Å; F453-Q455 VanDerWaalsContact C-N 3.29Å; F453-Q455 PolarHBondContact O-N 3.04Å; F453-K456 PolarHBondContact O-N 2.94Å; F453-S457 VanDerWaalsContact O-CB 3.3Å; F453-S457 WeakPolarHBondContact O-CB 3.37Å; F453-S457 PolarHBondContact O-N 3.36Å; F453-S457 PolarHBondContact O-OG 3.08Å; F453-A753 HydrophobicContact CE2-CB 4.24Å; F453-A753 HydrophobicContact CZ-CB 4.11Å; F453-L1144 HydrophobicContact CB-CD1 4.19Å; F453-L1144 HydrophobicContact CD1-CD2 3.92Å; F453-L1144 HydrophobicContact CD2-CD1 4.23Å; F453-L1144 HydrophobicContact CE1-CD2 4.31Å; F453-L1144 HydrophobicContact CG-CD1 4.15Å; F453-L1144 HydrophobicContact CG-CD2 4.15Å |
| 454 | K | 84.7 | Confident | 82.6 | Confident | 89 Ų | 89 | 64.9 Ų | 64.9 | 39% | 0.387 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 175.2 | -76.4 | 176.6 | 176.4 | 172.5 | 0 | 111.8 | V450 Q451 S457 E1142 | V450-K454 HydrophobicContact CG1-CD 4.1Å; V450-K454 HydrophobicContact CG1-CG 4.35Å; V450-K454 WeakPolarHBondContact O-CB 3.39Å; V450-K454 WeakPolarHBondContact O-CG 3.29Å; V450-K454 PolarHBondContact O-N 2.95Å; Q451-K454 PolarHBondContact O-N 2.99Å; K454-S457 WeakPolarHBondContact CA-OG 3.12Å; K454-S457 PolarHBondContact O-OG 3Å; K454-S457 VanDerWaalsContact O-OG 3.14Å; K454-E1142 IonicContact NZ-OE1 2.99Å; K454-E1142 PolarHBondContact NZ-OE1 3.08Å; K454-E1142 IonicContact NZ-OE2 3.8Å; K454-E1142 PolarHBondContact NZ-OE2 2.82Å |
| 455 | Q | 85.8 | Confident | 83 | Confident | 128 Ų | 128 | 66.7 Ų | 66.7 | 60% | 0.598 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -70.6 | -47.4 | 179.1 | -171.3 | 176.8 | 2.6 | 0 | 0 | 112.5 | Q451 S452 F453 S457 R458 | Q451-Q455 PolarHBondContact O-N 2.98Å; S452-Q455 PolarHBondContact O-N 2.73Å; F453-Q455 VanDerWaalsContact C-N 3.29Å; F453-Q455 PolarHBondContact O-N 3.04Å; Q455-S457 VanDerWaalsContact C-N 3.33Å; Q455-S457 PolarHBondContact O-N 2.94Å; Q455-R458 WeakPolarHBondContact O-CG 3.36Å; Q455-R458 PolarHBondContact O-N 3.31Å |
| 456 | K | 84.3 | Confident | 83.8 | Confident | 130 Ų | 130 | 69.1 Ų | 69.1 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -70.1 | -29.3 | 179.7 | -68.7 | -159.4 | -166.1 | 172.5 | 0 | 112.9 | P444 M447 S452 F453 R458 | P444-K456 HydrophobicContact CB-CB 4.37Å; M447-K456 HydrophobicContact CE-CD 3.63Å; M447-K456 HydrophobicContact CE-CG 4.45Å; M447-K456 HydrophobicContact SD-CD 3.79Å; M447-K456 HydrophobicContact SD-CG 4.19Å; S452-K456 PolarHBondContact O-N 2.72Å; F453-K456 PolarHBondContact O-N 2.94Å; K456-R458 VanDerWaalsContact C-N 3.26Å; K456-R458 PolarHBondContact O-N 3.29Å |
| 457 | S | 85.2 | Confident | 84.9 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -4.2 | 178.4 | 57 | 0 | 0 | 0 | 0 | 114.4 | F453 K454 Q455 G459 L460 H461 | F453-S457 VanDerWaalsContact O-CB 3.3Å; F453-S457 WeakPolarHBondContact O-CB 3.37Å; F453-S457 PolarHBondContact O-N 3.36Å; F453-S457 PolarHBondContact O-OG 3.08Å; K454-S457 WeakPolarHBondContact CA-OG 3.12Å; K454-S457 PolarHBondContact O-OG 3Å; K454-S457 VanDerWaalsContact O-OG 3.14Å; Q455-S457 VanDerWaalsContact C-N 3.33Å; Q455-S457 PolarHBondContact O-N 2.94Å; S457-G459 VanDerWaalsContact C-N 3.27Å; S457-G459 PolarHBondContact O-N 3.47Å; S457-L460 WeakPolarHBondContact O-CB 3.08Å; S457-L460 PolarHBondContact O-N 3.09Å; S457-H461 PolarHBondContact O-N 3.37Å; S457-H461 PolarHBondContact O-ND1 3.2Å; S457-H461 PolarHBondContact OG-CE1 3.47Å |
| 458 | R | 85.4 | Confident | 86 | Confident | 176 Ų | 176 | 68.4 Ų | 68.4 | 66% | 0.664 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -54.2 | -39.6 | -179.7 | -74.2 | -179.4 | -179.8 | -179.5 | 1.4 | 113.6 | Q455 K456 H461 A462 | Q455-R458 WeakPolarHBondContact O-CG 3.36Å; Q455-R458 PolarHBondContact O-N 3.31Å; K456-R458 VanDerWaalsContact C-N 3.26Å; K456-R458 PolarHBondContact O-N 3.29Å; R458-H461 PolarHBondContact O-N 3.22Å; R458-A462 PolarHBondContact O-N 3.33Å |
| 459 | G | 85.6 | Confident | 87.1 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 50% | 0.495 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S457 H461 A462 V463 | S457-G459 VanDerWaalsContact C-N 3.27Å; S457-G459 PolarHBondContact O-N 3.47Å; G459-H461 VanDerWaalsContact C-N 3.32Å; G459-H461 PolarHBondContact O-N 3.42Å; G459-A462 PolarHBondContact O-N 3.13Å; G459-V463 WeakPolarHBondContact O-CG2 3.38Å; G459-V463 PolarHBondContact O-N 3.49Å; G459-V463 VanDerWaalsContact O-N 3.15Å |
| 460 | L | 88.4 | Confident | 87.7 | Confident | 19 Ų | 19 | 64.1 Ų | 64.1 | 10% | 0.099 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 176.1 | -64.6 | 173.2 | 0 | 0 | 0 | 111.6 | I428 Q429 Y443 S457 A462 V463 A464 | I428-L460 HydrophobicContact CG2-CD2 4Å; I428-L460 WeakPolarHBondContact O-CD2 3.47Å; Q429-L460 PolarHBondContact NE2-O 3.42Å; Q429-L460 PolarHBondContact OE1-O 3.3Å; Y443-L460 HydrophobicContact CD2-CD1 4.23Å; S457-L460 WeakPolarHBondContact O-CB 3.08Å; S457-L460 PolarHBondContact O-N 3.09Å; L460-A462 VanDerWaalsContact C-N 3.35Å; L460-A462 PolarHBondContact O-N 3.23Å; L460-V463 PolarHBondContact O-N 2.99Å; L460-A464 VanDerWaalsContact O-CB 3.3Å; L460-A464 WeakPolarHBondContact O-CB 3.47Å; L460-A464 PolarHBondContact O-N 3.09Å |
| 461 | H | 88 | Confident | 88.1 | Confident | 98 Ų | 98 | 63.7 Ų | 63.7 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 175.7 | -70 | 87.9 | 0 | 0 | 0 | 112.7 | S457 R458 G459 A464 A465 | S457-H461 PolarHBondContact O-N 3.37Å; S457-H461 PolarHBondContact O-ND1 3.2Å; S457-H461 PolarHBondContact OG-CE1 3.47Å; R458-H461 PolarHBondContact O-N 3.22Å; G459-H461 VanDerWaalsContact C-N 3.32Å; G459-H461 PolarHBondContact O-N 3.42Å; H461-A464 WeakPolarHBondContact O-CB 3.42Å; H461-A464 PolarHBondContact O-N 3.15Å; H461-A465 PolarHBondContact O-N 3.24Å |
| 462 | A | 89.4 | Confident | 88.3 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 46% | 0.463 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R458 G459 L460 A464 A465 I466 | R458-A462 PolarHBondContact O-N 3.33Å; G459-A462 PolarHBondContact O-N 3.13Å; L460-A462 VanDerWaalsContact C-N 3.35Å; L460-A462 PolarHBondContact O-N 3.23Å; A462-A464 VanDerWaalsContact C-N 3.3Å; A462-A464 PolarHBondContact O-N 3.48Å; A462-A465 PolarHBondContact O-N 2.99Å; A462-I466 WeakPolarHBondContact O-CG1 3.43Å; A462-I466 PolarHBondContact O-N 3.43Å; A462-I466 VanDerWaalsContact O-N 3.09Å |
| 463 | V | 91.2 | Very high | 88.6 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 174.7 | 173.7 | 0 | 0 | 0 | 0 | 111 | L425 I428 Q429 G459 L460 I466 R467 | L425-V463 HydrophobicContact CB-CG1 4.4Å; L425-V463 HydrophobicContact CD2-CG1 3.67Å; I428-V463 HydrophobicContact CG2-CG1 4.33Å; Q429-V463 VanDerWaalsContact NE2-CG1 3.32Å; G459-V463 WeakPolarHBondContact O-CG2 3.38Å; G459-V463 PolarHBondContact O-N 3.49Å; G459-V463 VanDerWaalsContact O-N 3.15Å; L460-V463 PolarHBondContact O-N 2.99Å; V463-I466 PolarHBondContact O-N 3.35Å; V463-R467 PolarHBondContact O-N 2.97Å |
| 464 | A | 90.2 | Very high | 89.1 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L460 H461 A462 R467 R468 | L460-A464 VanDerWaalsContact O-CB 3.3Å; L460-A464 WeakPolarHBondContact O-CB 3.47Å; L460-A464 PolarHBondContact O-N 3.09Å; H461-A464 WeakPolarHBondContact O-CB 3.42Å; H461-A464 PolarHBondContact O-N 3.15Å; A462-A464 VanDerWaalsContact C-N 3.3Å; A462-A464 PolarHBondContact O-N 3.48Å; A464-R467 PolarHBondContact O-N 3.3Å; A464-R468 WeakPolarHBondContact O-CB 3.49Å; A464-R468 PolarHBondContact O-N 3.46Å |
| 465 | A | 90.4 | Very high | 89.5 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 42% | 0.421 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H461 A462 R468 V469 | H461-A465 PolarHBondContact O-N 3.24Å; A462-A465 PolarHBondContact O-N 2.99Å; A465-R468 WeakPolarHBondContact O-CB 3.39Å; A465-R468 PolarHBondContact O-N 2.96Å; A465-V469 WeakPolarHBondContact O-CG2 3.43Å; A465-V469 PolarHBondContact O-N 3.07Å; A465-V469 VanDerWaalsContact O-N 3.09Å |
| 466 | I | 92.2 | Very high | 90 | Very high | 95 Ų | 95 | 50.2 Ų | 50.2 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 175.7 | -65.4 | 166.6 | 0 | 0 | 0 | 110.4 | L425 A462 V463 R468 V469 L470 | L425-I466 HydrophobicContact CD1-CG2 4.17Å; A462-I466 WeakPolarHBondContact O-CG1 3.43Å; A462-I466 PolarHBondContact O-N 3.43Å; A462-I466 VanDerWaalsContact O-N 3.09Å; V463-I466 PolarHBondContact O-N 3.35Å; I466-R468 PolarHBondContact O-N 2.98Å; I466-V469 PolarHBondContact O-N 2.76Å; I466-L470 HydrophobicContact CG2-CD1 3.91Å; I466-L470 HydrophobicContact CG2-CG 4.44Å; I466-L470 WeakPolarHBondContact O-CG 3.24Å; I466-L470 PolarHBondContact O-N 3.38Å |
| 467 | R | 91.1 | Very high | 90.5 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.2 | -42.3 | 176.6 | 179.1 | 178.5 | 167.7 | -99.1 | -1.1 | 111.4 | L425 V463 A464 L470 L471 E513 S665 G666 | L425-R467 HydrophobicContact CB-CB 3.95Å; L425-R467 HydrophobicContact CB-CG 4.21Å; L425-R467 HydrophobicContact CD1-CB 4.05Å; V463-R467 PolarHBondContact O-N 2.97Å; A464-R467 PolarHBondContact O-N 3.3Å; R467-L470 PolarHBondContact O-N 2.63Å; R467-L471 VanDerWaalsContact O-CB 3.28Å; R467-L471 WeakPolarHBondContact O-CB 3.29Å; R467-L471 PolarHBondContact O-N 3.43Å; R467-E513 IonicContact NH2-OE1 3.17Å; R467-E513 PolarHBondContact NH2-OE1 3.32Å; R467-E513 IonicContact NH2-OE2 3.85Å; R467-E513 PolarHBondContact NH2-OE2 3.06Å; R467-S665 PolarHBondContact NH1-O 3.43Å; R467-G666 VanDerWaalsContact NH1-CA 3.31Å |
| 468 | R | 89.4 | Confident | 91 | Very high | 66 Ų | 66 | 46.7 Ų | 46.7 | 25% | 0.249 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.2 | -46.4 | -178.5 | -164.1 | -174.9 | -54.8 | 178.7 | 3.2 | 111.9 | A464 A465 I466 L471 Y472 A664 L1213 | A464-R468 WeakPolarHBondContact O-CB 3.49Å; A464-R468 PolarHBondContact O-N 3.46Å; A465-R468 WeakPolarHBondContact O-CB 3.39Å; A465-R468 PolarHBondContact O-N 2.96Å; I466-R468 PolarHBondContact O-N 2.98Å; R468-L471 PolarHBondContact O-N 3.43Å; R468-Y472 HydrophobicContact CG-CD2 3.65Å; R468-Y472 HydrophobicContact CG-CE2 4.17Å; R468-Y472 WeakPolarHBondContact O-CB 3.26Å; R468-Y472 PolarHBondContact O-N 3.42Å; R468-A664 PolarHBondContact NE-O 3.44Å; R468-A664 PolarHBondContact NH2-O 3.25Å; R468-L1213 WeakPolarHBondContact CD-OXT 3.49Å; R468-L1213 PolarHBondContact NH1-O 3.3Å; R468-L1213 PolarHBondContact NH1-OXT 2.92Å |
| 469 | V | 91.5 | Very high | 91.5 | Very high | 81 Ų | 81 | 38.3 Ų | 38.3 | 49% | 0.491 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 175.9 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | A465 I466 L471 L473 V474 | A465-V469 WeakPolarHBondContact O-CG2 3.43Å; A465-V469 PolarHBondContact O-N 3.07Å; A465-V469 VanDerWaalsContact O-N 3.09Å; I466-V469 PolarHBondContact O-N 2.76Å; V469-L471 PolarHBondContact O-N 2.69Å; V469-L473 HydrophobicContact CG1-CD2 4.29Å; V469-L473 WeakPolarHBondContact O-CA 3.44Å; V469-L473 VanDerWaalsContact O-CB 3.24Å; V469-L473 WeakPolarHBondContact O-CB 3.38Å; V469-L473 PolarHBondContact O-N 2.97Å; V469-V474 PolarHBondContact O-N 3.34Å; V469-V474 VanDerWaalsContact O-N 3.08Å |
| 470 | L | 93.3 | Very high | 91.9 | Very high | 29 Ų | 29 | 36 Ų | 36 | 15% | 0.152 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -60.7 | -47.8 | 178.5 | -68.7 | 171.8 | 0 | 0 | 0 | 111.9 | L418 L421 L425 I466 R467 V474 S475 | L418-L470 HydrophobicContact CD2-CD2 4.17Å; L421-L470 HydrophobicContact CD2-CD1 3.51Å; L421-L470 HydrophobicContact CG-CD1 3.94Å; L425-L470 HydrophobicContact CD1-CD1 3.76Å; I466-L470 HydrophobicContact CG2-CD1 3.91Å; I466-L470 HydrophobicContact CG2-CG 4.44Å; I466-L470 WeakPolarHBondContact O-CG 3.24Å; I466-L470 PolarHBondContact O-N 3.38Å; R467-L470 PolarHBondContact O-N 2.63Å; L470-V474 HydrophobicContact CD2-CB 4.45Å; L470-V474 HydrophobicContact CD2-CG2 4.26Å; L470-V474 WeakPolarHBondContact O-CB 3.28Å; L470-V474 PolarHBondContact O-N 3.32Å; L470-S475 WeakPolarHBondContact O-CB 3.46Å; L470-S475 PolarHBondContact O-N 3.01Å; L470-S475 PolarHBondContact O-OG 3.36Å |
| 471 | L | 90.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -77.4 | -39.5 | -172.2 | -174.9 | 64.3 | 0 | 0 | 0 | 114.1 | R467 R468 V469 P476 E513 | R467-L471 VanDerWaalsContact O-CB 3.28Å; R467-L471 WeakPolarHBondContact O-CB 3.29Å; R467-L471 PolarHBondContact O-N 3.43Å; R468-L471 PolarHBondContact O-N 3.43Å; V469-L471 PolarHBondContact O-N 2.69Å; L471-P476 VanDerWaalsContact O-CD 3.3Å; L471-P476 WeakPolarHBondContact O-CD 3.29Å; L471-E513 HydrophobicContact CD1-CB 4.05Å; L471-E513 HydrophobicContact CD2-CB 4.37Å |
| 472 | Y | 88.6 | Confident | 92.3 | Very high | 17 Ų | 17 | 30.9 Ų | 30.9 | 7% | 0.067 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -99.4 | -17.8 | -174.4 | -69.9 | -72.7 | 0 | 0 | 0 | 114 | R468 R693 Y695 L1213 | R468-Y472 HydrophobicContact CG-CD2 3.65Å; R468-Y472 HydrophobicContact CG-CE2 4.17Å; R468-Y472 WeakPolarHBondContact O-CB 3.26Å; R468-Y472 PolarHBondContact O-N 3.42Å; Y472-R693 PolarHBondContact OH-NH2 2.62Å; Y472-Y695 HydrophobicContact CD1-CD2 4.14Å; Y472-Y695 AromaticContact CD1-CE2 3.88Å; Y472-Y695 HydrophobicContact CD1-CE2 3.88Å; Y472-Y695 PolarHBondContact O-OH 3.07Å; Y472-L1213 HydrophobicContact CD1-CD2 4.2Å; Y472-L1213 HydrophobicContact CD2-CD2 4.49Å; Y472-L1213 HydrophobicContact CG-CD2 3.93Å |
| 473 | L | 90.7 | Very high | 92.3 | Very high | 80 Ų | 80 | 28.3 Ų | 28.3 | 42% | 0.419 | 16% | 0.156 | S | C | . | . | I | π-helix | trans | -112.3 | -53.6 | 177.5 | -173.7 | 69 | 0 | 0 | 0 | 112 | L380 V469 F477 | L380-L473 HydrophobicContact CD2-CD1 3.55Å; V469-L473 HydrophobicContact CG1-CD2 4.29Å; V469-L473 WeakPolarHBondContact O-CA 3.44Å; V469-L473 VanDerWaalsContact O-CB 3.24Å; V469-L473 WeakPolarHBondContact O-CB 3.38Å; V469-L473 PolarHBondContact O-N 2.97Å; L473-F477 HydrophobicContact CD1-CE2 4.14Å; L473-F477 WeakPolarHBondContact O-CD2 3.39Å |
| 474 | V | 94.6 | Very high | 92.3 | Very high | 54 Ų | 54 | 26.5 Ų | 26.5 | 33% | 0.327 | 15% | 0.146 | S | C | . | . | I | π-helix | trans | -76.9 | -50.9 | -172.8 | -177 | 0 | 0 | 0 | 0 | 112.1 | L418 V469 L470 F477 V478 | L418-V474 HydrophobicContact CD1-CG1 4.19Å; L418-V474 HydrophobicContact CD2-CG1 4.09Å; V469-V474 PolarHBondContact O-N 3.34Å; V469-V474 VanDerWaalsContact O-N 3.08Å; L470-V474 HydrophobicContact CD2-CB 4.45Å; L470-V474 HydrophobicContact CD2-CG2 4.26Å; L470-V474 WeakPolarHBondContact O-CB 3.28Å; L470-V474 PolarHBondContact O-N 3.32Å; V474-F477 PolarHBondContact O-N 3.37Å; V474-V478 HydrophobicContact CG1-CG2 4.31Å; V474-V478 WeakPolarHBondContact O-CG2 3.44Å; V474-V478 PolarHBondContact O-N 3.23Å |
| 475 | S | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.8 | -44 | -176.3 | -61.7 | 0 | 0 | 0 | 0 | 113.5 | L470 F477 V478 M479 | L470-S475 WeakPolarHBondContact O-CB 3.46Å; L470-S475 PolarHBondContact O-N 3.01Å; L470-S475 PolarHBondContact O-OG 3.36Å; S475-F477 PolarHBondContact O-N 3.44Å; S475-V478 PolarHBondContact O-N 2.91Å; S475-M479 WeakPolarHBondContact O-CB 3.41Å; S475-M479 WeakPolarHBondContact O-CE 3.23Å; S475-M479 VanDerWaalsContact O-CG 3.26Å; S475-M479 WeakPolarHBondContact O-CG 3.49Å; S475-M479 PolarHBondContact O-N 2.58Å |
| 476 | P | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 179.8 | -26.5 | 38.3 | 0 | 0 | 0 | 113.4 | L471 M479 V480 V508 W509 | L471-P476 VanDerWaalsContact O-CD 3.3Å; L471-P476 WeakPolarHBondContact O-CD 3.29Å; P476-M479 PolarHBondContact O-N 3.21Å; P476-V480 WeakPolarHBondContact O-CG2 3.3Å; P476-V480 PolarHBondContact O-N 3.36Å; P476-V508 HydrophobicContact CB-CG1 3.81Å; P476-W509 HydrophobicContact CB-CD2 4.37Å; P476-W509 HydrophobicContact CB-CE3 3.94Å; P476-W509 HydrophobicContact CB-CH2 3.84Å; P476-W509 HydrophobicContact CB-CZ2 4.27Å; P476-W509 HydrophobicContact CB-CZ3 3.66Å; P476-W509 HydrophobicContact CG-CE3 4.41Å; P476-W509 HydrophobicContact CG-CZ3 4.24Å |
| 477 | F | 95.4 | Very high | 91.3 | Very high | 36 Ų | 36 | 24.1 Ų | 24.1 | 16% | 0.158 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.9 | -47.2 | 177.9 | -79.5 | -108.3 | 0 | 0 | 0 | 111.1 | L380 A383 A384 E387 L473 V474 S475 M479 V480 A481 W509 | L380-F477 HydrophobicContact CD2-CE2 4.08Å; L380-F477 HydrophobicContact CD2-CZ 4.21Å; A383-F477 HydrophobicContact CB-CE1 3.75Å; A383-F477 HydrophobicContact CB-CZ 3.9Å; A384-F477 HydrophobicContact CB-CE1 4.31Å; A384-F477 HydrophobicContact CB-CZ 4.29Å; E387-F477 WeakPolarHBondContact OE2-CA 3.49Å; E387-F477 WeakPolarHBondContact OE2-CB 3.4Å; E387-F477 WeakPolarHBondContact OE2-CD1 3.38Å; L473-F477 HydrophobicContact CD1-CE2 4.14Å; L473-F477 WeakPolarHBondContact O-CD2 3.39Å; V474-F477 PolarHBondContact O-N 3.37Å; S475-F477 PolarHBondContact O-N 3.44Å; F477-M479 VanDerWaalsContact C-N 3.29Å; F477-M479 PolarHBondContact O-N 3.05Å; F477-V480 PolarHBondContact O-N 2.8Å; F477-A481 WeakPolarHBondContact O-CB 3.49Å; F477-A481 PolarHBondContact O-N 2.67Å; F477-W509 HydrophobicContact CD2-CH2 4.38Å; F477-W509 HydrophobicContact CE2-CH2 4.06Å |
| 478 | V | 95.1 | Very high | 90.9 | Very high | 25 Ų | 25 | 24.3 Ų | 24.3 | 15% | 0.152 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.7 | -36.2 | 176.8 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | V411 I414 L415 L418 V474 S475 A481 F482 | V411-V478 HydrophobicContact CG1-CG1 3.8Å; I414-V478 HydrophobicContact CB-CG1 4.45Å; I414-V478 HydrophobicContact CG2-CG1 3.95Å; I414-V478 HydrophobicContact CG2-CG2 4.29Å; L415-V478 HydrophobicContact CD2-CB 4.06Å; L415-V478 HydrophobicContact CD2-CG1 3.55Å; L415-V478 HydrophobicContact CG-CG1 3.76Å; L418-V478 HydrophobicContact CD1-CB 4.18Å; L418-V478 HydrophobicContact CD1-CG1 4.33Å; L418-V478 HydrophobicContact CD1-CG2 3.94Å; V474-V478 HydrophobicContact CG1-CG2 4.31Å; V474-V478 WeakPolarHBondContact O-CG2 3.44Å; V474-V478 PolarHBondContact O-N 3.23Å; S475-V478 PolarHBondContact O-N 2.91Å; V478-A481 WeakPolarHBondContact O-CB 3.24Å; V478-F482 PolarHBondContact O-N 3.46Å |
| 479 | M | 95.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.5 | -41.3 | 175.3 | -72.4 | -171.2 | -77.3 | 0 | 0 | 112.6 | L415 S475 P476 F477 A481 F482 L483 V508 A515 L516 M519 | L415-M479 HydrophobicContact CD2-CG 3.71Å; S475-M479 WeakPolarHBondContact O-CB 3.41Å; S475-M479 WeakPolarHBondContact O-CE 3.23Å; S475-M479 VanDerWaalsContact O-CG 3.26Å; S475-M479 WeakPolarHBondContact O-CG 3.49Å; S475-M479 PolarHBondContact O-N 2.58Å; P476-M479 PolarHBondContact O-N 3.21Å; F477-M479 VanDerWaalsContact C-N 3.29Å; F477-M479 PolarHBondContact O-N 3.05Å; M479-A481 VanDerWaalsContact C-N 3.34Å; M479-F482 PolarHBondContact O-N 3.34Å; M479-L483 WeakPolarHBondContact O-CG 3.34Å; M479-L483 PolarHBondContact O-N 3.04Å; M479-V508 HydrophobicContact CB-CG1 4.11Å; M479-V508 HydrophobicContact CB-CG2 3.77Å; M479-V508 HydrophobicContact CE-CG1 4.15Å; M479-V508 HydrophobicContact SD-CG2 4.32Å; M479-A515 HydrophobicContact SD-CB 4.1Å; M479-L516 HydrophobicContact CE-CB 4.43Å; M479-L516 HydrophobicContact CG-CD1 4.43Å; M479-L516 HydrophobicContact SD-CB 3.98Å; M479-L516 HydrophobicContact SD-CD1 4.33Å; M479-M519 HydrophobicContact CB-CE 3.86Å; M479-M519 HydrophobicContact CB-SD 3.75Å; M479-M519 HydrophobicContact CG-CE 4.15Å; M479-M519 HydrophobicContact CG-SD 3.53Å; M479-M519 VanDerWaalsContact CG-SD 3.53Å; M479-M519 HydrophobicContact SD-CE 4.27Å; M479-M519 HydrophobicContact SD-SD 3.96Å |
| 480 | V | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 173.1 | 168.8 | 0 | 0 | 0 | 0 | 110.4 | T323 A388 P476 F477 F482 L483 S484 F505 V508 W509 | T323-V480 HydrophobicContact CG2-CG1 4.14Å; T323-V480 HydrophobicContact CG2-CG2 4.47Å; A388-V480 HydrophobicContact CB-CG1 3.61Å; P476-V480 WeakPolarHBondContact O-CG2 3.3Å; P476-V480 PolarHBondContact O-N 3.36Å; F477-V480 PolarHBondContact O-N 2.8Å; V480-F482 VanDerWaalsContact C-N 3.35Å; V480-F482 PolarHBondContact O-N 3.35Å; V480-L483 PolarHBondContact O-N 3.22Å; V480-S484 VanDerWaalsContact O-CB 3.31Å; V480-S484 WeakPolarHBondContact O-CB 3.15Å; V480-S484 PolarHBondContact O-N 3.34Å; V480-S484 PolarHBondContact O-OG 2.78Å; V480-F505 HydrophobicContact CG1-CE1 4.37Å; V480-V508 HydrophobicContact CG2-CG1 4.03Å; V480-W509 HydrophobicContact CG2-CZ2 4.37Å |
| 481 | A | 92.3 | Very high | 89.3 | Confident | 7 Ų | 7 | 25.4 Ų | 25.4 | 6% | 0.058 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.8 | -49.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L391 F477 V478 M479 L483 S484 M485 | L391-A481 HydrophobicContact CD1-CB 3.44Å; L391-A481 VanDerWaalsContact CD1-CB 3.44Å; F477-A481 WeakPolarHBondContact O-CB 3.49Å; F477-A481 PolarHBondContact O-N 2.67Å; V478-A481 WeakPolarHBondContact O-CB 3.24Å; M479-A481 VanDerWaalsContact C-N 3.34Å; A481-L483 PolarHBondContact O-N 2.78Å; A481-S484 PolarHBondContact O-N 3.1Å; A481-S484 PolarHBondContact O-OG 2.94Å; A481-M485 WeakPolarHBondContact O-CG 3.19Å; A481-M485 PolarHBondContact O-N 2.68Å |
| 482 | F | 91.6 | Very high | 88.6 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.009 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.6 | -48.4 | 177.1 | -179.2 | -97.3 | 0 | 0 | 0 | 112.6 | L403 Q408 V411 L415 V478 M479 V480 M485 M519 I523 T542 | L403-F482 HydrophobicContact CD1-CE2 4.4Å; Q408-F482 PolarHBondContact NE2-O 3.04Å; V411-F482 HydrophobicContact CG1-CB 3.96Å; V411-F482 HydrophobicContact CG1-CD2 4.42Å; L415-F482 HydrophobicContact CD1-CB 4Å; L415-F482 HydrophobicContact CD1-CD2 4.15Å; L415-F482 HydrophobicContact CD1-CG 4.02Å; V478-F482 PolarHBondContact O-N 3.46Å; M479-F482 PolarHBondContact O-N 3.34Å; V480-F482 VanDerWaalsContact C-N 3.35Å; V480-F482 PolarHBondContact O-N 3.35Å; F482-M485 PolarHBondContact O-N 2.78Å; F482-M519 HydrophobicContact CD1-SD 4.15Å; F482-I523 HydrophobicContact CE2-CD1 4.11Å; F482-I523 HydrophobicContact CE2-CG1 4.1Å; F482-I523 HydrophobicContact CZ-CD1 4.27Å; F482-I523 HydrophobicContact CZ-CG1 4Å; F482-T542 HydrophobicContact CE1-CG2 4.06Å |
| 483 | L | 91.5 | Very high | 88.3 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.1 | -35.5 | 179.9 | -69.1 | 176.9 | 0 | 0 | 0 | 113.2 | M479 V480 A481 M485 D486 A504 F505 V508 M519 L546 | M479-L483 WeakPolarHBondContact O-CG 3.34Å; M479-L483 PolarHBondContact O-N 3.04Å; V480-L483 PolarHBondContact O-N 3.22Å; A481-L483 PolarHBondContact O-N 2.78Å; L483-M485 PolarHBondContact O-N 2.8Å; L483-D486 VanDerWaalsContact O-CB 3.3Å; L483-D486 WeakPolarHBondContact O-CB 3.49Å; L483-D486 PolarHBondContact O-N 2.85Å; L483-A504 HydrophobicContact CD1-CB 3.87Å; L483-A504 HydrophobicContact CD2-CB 4.04Å; L483-F505 HydrophobicContact CB-CE1 4.01Å; L483-F505 HydrophobicContact CB-CE2 4.22Å; L483-F505 HydrophobicContact CB-CZ 3.75Å; L483-F505 HydrophobicContact CD1-CD1 4.28Å; L483-F505 HydrophobicContact CD1-CE1 4.41Å; L483-F505 HydrophobicContact CD1-CG 4.33Å; L483-V508 HydrophobicContact CD1-CG2 3.97Å; L483-M519 HydrophobicContact CD1-CE 3.61Å; L483-M519 HydrophobicContact CD2-CE 3.92Å; L483-M519 HydrophobicContact CG-CE 3.65Å; L483-L546 HydrophobicContact CD2-CD1 4.01Å |
| 484 | S | 90.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.4 | -23.7 | 179.1 | 71.9 | 0 | 0 | 0 | 0 | 113.2 | H392 V480 A481 L489 | H392-S484 PolarHBondContact ND1-O 2.77Å; V480-S484 VanDerWaalsContact O-CB 3.31Å; V480-S484 WeakPolarHBondContact O-CB 3.15Å; V480-S484 PolarHBondContact O-N 3.34Å; V480-S484 PolarHBondContact O-OG 2.78Å; A481-S484 PolarHBondContact O-N 3.1Å; A481-S484 PolarHBondContact O-OG 2.94Å; S484-L489 WeakPolarHBondContact O-CD1 3.01Å |
| 485 | M | 86.7 | Confident | 87.8 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.039 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 10.2 | 178 | -62.9 | -178.7 | -162.9 | 0 | 0 | 113.4 | L391 I395 Q399 Q408 V411 A481 F482 L483 | L391-M485 HydrophobicContact CB-CE 3.97Å; L391-M485 HydrophobicContact CD1-CE 3.81Å; L391-M485 HydrophobicContact CD2-CE 3.65Å; L391-M485 HydrophobicContact CG-CE 4.01Å; I395-M485 HydrophobicContact CD1-CE 3.82Å; I395-M485 HydrophobicContact CG2-CG 4.38Å; I395-M485 HydrophobicContact CG2-SD 4.13Å; Q399-M485 PolarHBondContact NE2-O 2.99Å; Q408-M485 HydrophobicContact CG-CB 3.78Å; Q408-M485 HydrophobicContact CG-SD 4.48Å; Q408-M485 VanDerWaalsContact NE2-C 3.34Å; Q408-M485 PolarHBondContact NE2-O 2.69Å; Q408-M485 VanDerWaalsContact NE2-O 3.1Å; V411-M485 HydrophobicContact CG2-CE 4.49Å; A481-M485 WeakPolarHBondContact O-CG 3.19Å; A481-M485 PolarHBondContact O-N 2.68Å; F482-M485 PolarHBondContact O-N 2.78Å; L483-M485 PolarHBondContact O-N 2.8Å |
| 486 | D | 85.6 | Confident | 87.5 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | trans | -77.3 | 145.3 | -174.2 | -166.4 | 56.4 | 0 | 0 | 0 | 113.6 | Q399 L483 S488 T542 | Q399-D486 PolarHBondContact NE2-O 3.13Å; L483-D486 VanDerWaalsContact O-CB 3.3Å; L483-D486 WeakPolarHBondContact O-CB 3.49Å; L483-D486 PolarHBondContact O-N 2.85Å; D486-S488 VanDerWaalsContact C-N 3.35Å; D486-S488 WeakPolarHBondContact OD2-CB 3.17Å; D486-S488 PolarHBondContact OD2-N 2.82Å; D486-S488 PolarHBondContact OD2-OG 2.76Å; D486-T542 WeakPolarHBondContact OD1-CB 3.48Å; D486-T542 PolarHBondContact OD1-OG1 3.49Å; D486-T542 WeakPolarHBondContact OD2-CB 3.45Å; D486-T542 PolarHBondContact OD2-OG1 2.89Å | ||
| 487 | E | 79.9 | Confident | 87.1 | Confident | 81 Ų | 81 | 40.5 Ų | 40.5 | 38% | 0.379 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -72.2 | -28.7 | 179.8 | -172 | 178 | 176.4 | 0 | 0 | 112 | L489 R490 | E487-L489 PolarHBondContact O-N 2.83Å; E487-R490 PolarHBondContact O-N 3.06Å |
| 488 | S | 81.5 | Confident | 86.9 | Confident | 13 Ų | 13 | 39 Ų | 39 | 9% | 0.091 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -62 | -21 | -176.5 | 73.9 | 0 | 0 | 0 | 0 | 113.5 | D486 R490 S491 | D486-S488 VanDerWaalsContact C-N 3.35Å; D486-S488 WeakPolarHBondContact OD2-CB 3.17Å; D486-S488 PolarHBondContact OD2-N 2.82Å; D486-S488 PolarHBondContact OD2-OG 2.76Å; S488-R490 PolarHBondContact O-N 2.96Å; S488-R490 VanDerWaalsContact O-N 3.09Å; S488-S491 PolarHBondContact O-N 3.03Å; S488-S491 PolarHBondContact O-OG 2.83Å |
| 489 | L | 82.2 | Confident | 86.8 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -61 | -12.9 | 174 | -68.9 | 169.4 | 0 | 0 | 0 | 114 | V318 V319 S484 E487 S491 L492 L501 | V318-L489 HydrophobicContact CG1-CD2 4.5Å; V319-L489 HydrophobicContact CG2-CD1 3.57Å; V319-L489 HydrophobicContact CG2-CD2 3.78Å; V319-L489 HydrophobicContact CG2-CG 4.33Å; S484-L489 WeakPolarHBondContact O-CD1 3.01Å; E487-L489 PolarHBondContact O-N 2.83Å; L489-S491 VanDerWaalsContact C-N 3.32Å; L489-L492 WeakPolarHBondContact O-CD2 3.47Å; L489-L492 VanDerWaalsContact O-CG 3.26Å; L489-L492 WeakPolarHBondContact O-CG 3.41Å; L489-L501 HydrophobicContact CD2-CD1 3.69Å; L489-L501 HydrophobicContact CD2-CD2 3.91Å; L489-L501 HydrophobicContact CD2-CG 4.48Å |
| 490 | R | 78.3 | Confident | 86.6 | Confident | 157 Ų | 157 | 39.9 Ų | 39.9 | 59% | 0.592 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -79.3 | -14.1 | 172.2 | -63.9 | -178.8 | -179.5 | -176.3 | -1.4 | 113.2 | G396 E487 S488 | G396-R490 PolarHBondContact O-NH2 2.83Å; G396-R490 VanDerWaalsContact O-NH2 3.17Å; E487-R490 PolarHBondContact O-N 3.06Å; S488-R490 PolarHBondContact O-N 2.96Å; S488-R490 VanDerWaalsContact O-N 3.09Å |
| 491 | S | 80.6 | Confident | 86.4 | Confident | 39 Ų | 39 | 40 Ų | 40 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | trans | -113.2 | 48.8 | -174.2 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | S488 L489 H493 R494 | S488-S491 PolarHBondContact O-N 3.03Å; S488-S491 PolarHBondContact O-OG 2.83Å; L489-S491 VanDerWaalsContact C-N 3.32Å; S491-H493 VanDerWaalsContact C-N 3.32Å; S491-H493 PolarHBondContact O-N 2.81Å; S491-R494 PolarHBondContact O-N 2.83Å | ||
| 492 | L | 75.9 | Confident | 86.4 | Confident | 15 Ų | 15 | 40 Ų | 40 | 8% | 0.079 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30.5 | -168.5 | -59 | 174.4 | 0 | 0 | 0 | 115.2 | V318 L489 R494 | V318-L492 HydrophobicContact CB-CD2 4.13Å; V318-L492 HydrophobicContact CG1-CD2 4.14Å; V318-L492 HydrophobicContact CG2-CD1 4.2Å; V318-L492 HydrophobicContact CG2-CD2 3.97Å; L489-L492 WeakPolarHBondContact O-CD2 3.47Å; L489-L492 VanDerWaalsContact O-CG 3.26Å; L489-L492 WeakPolarHBondContact O-CG 3.41Å; L492-R494 PolarHBondContact O-N 2.91Å |
| 493 | H | 81.6 | Confident | 86.5 | Confident | 121 Ų | 121 | 40.4 Ų | 40.4 | 56% | 0.56 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 18.4 | -175.2 | -56.7 | -50.8 | 0 | 0 | 0 | 114.6 | Y310 S491 | Y310-H493 VanDerWaalsContact CE2-O 3.23Å; Y310-H493 WeakPolarHBondContact CE2-O 3.39Å; Y310-H493 PolarHBondContact O-ND1 2.69Å; S491-H493 VanDerWaalsContact C-N 3.32Å; S491-H493 PolarHBondContact O-N 2.81Å |
| 494 | R | 87.6 | Confident | 86.6 | Confident | 146 Ų | 146 | 40.4 Ų | 40.4 | 55% | 0.551 | 20% | 0.199 | S | C | * | . | trans | -98.8 | 124.5 | 169.6 | -67.9 | -176.8 | -178.5 | 179.4 | 2.1 | 109.4 | S491 L492 T496 V497 S498 | S491-R494 PolarHBondContact O-N 2.83Å; L492-R494 PolarHBondContact O-N 2.91Å; R494-T496 PolarHBondContact O-N 2.76Å; R494-V497 HydrophobicContact CB-CB 4.18Å; R494-V497 HydrophobicContact CB-CG2 3.88Å; R494-V497 PolarHBondContact O-N 3.48Å; R494-S498 PolarHBondContact O-N 3.4Å | ||
| 495 | V | 87.4 | Confident | 86.8 | Confident | 96 Ų | 96 | 40.5 Ų | 40.5 | 58% | 0.582 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -54.5 | -40.5 | 179.1 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | Y310 V497 S498 V499 | Y310-V495 HydrophobicContact CD2-CG2 4.18Å; Y310-V495 HydrophobicContact CE2-CG2 3.9Å; V495-V497 PolarHBondContact O-N 2.77Å; V495-S498 PolarHBondContact O-N 2.91Å; V495-V499 HydrophobicContact CG1-CG2 4.48Å; V495-V499 WeakPolarHBondContact O-CG2 3.45Å; V495-V499 PolarHBondContact O-N 3.42Å |
| 496 | T | 88.4 | Confident | 87.2 | Confident | 85 Ų | 85 | 40.3 Ų | 40.3 | 52% | 0.521 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 178.7 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | R494 G500 V544 | R494-T496 PolarHBondContact O-N 2.76Å; T496-G500 PolarHBondContact O-N 2.96Å; T496-V544 VanDerWaalsContact O-CG2 3.28Å; T496-V544 WeakPolarHBondContact O-CG2 3.44Å |
| 497 | V | 87.1 | Confident | 87.6 | Confident | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.6 | -43.3 | 178.2 | 177 | 0 | 0 | 0 | 0 | 110.3 | R494 V495 V499 G500 L501 | R494-V497 HydrophobicContact CB-CB 4.18Å; R494-V497 HydrophobicContact CB-CG2 3.88Å; R494-V497 PolarHBondContact O-N 3.48Å; V495-V497 PolarHBondContact O-N 2.77Å; V497-V499 PolarHBondContact O-N 3.17Å; V497-G500 PolarHBondContact O-N 2.68Å; V497-L501 HydrophobicContact CG1-CD1 3.75Å; V497-L501 HydrophobicContact CG1-CG 4.18Å; V497-L501 WeakPolarHBondContact O-CB 3.31Å; V497-L501 VanDerWaalsContact O-CG 3.27Å; V497-L501 WeakPolarHBondContact O-CG 3.37Å; V497-L501 PolarHBondContact O-N 3.08Å |
| 498 | S | 90.9 | Very high | 88.3 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.6 | -51 | 175.9 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | A306 N309 Y310 R494 V495 G500 L501 T502 | A306-S498 PolarHBondContact O-OG 2.87Å; N309-S498 WeakPolarHBondContact CB-OG 3.45Å; Y310-S498 PolarHBondContact N-OG 3.39Å; R494-S498 PolarHBondContact O-N 3.4Å; V495-S498 PolarHBondContact O-N 2.91Å; S498-G500 PolarHBondContact O-N 3.28Å; S498-L501 PolarHBondContact O-N 3.25Å; S498-T502 WeakPolarHBondContact O-CG2 3.49Å; S498-T502 PolarHBondContact O-N 3.44Å |
| 499 | V | 92.4 | Very high | 88.9 | Confident | 42 Ų | 42 | 35.7 Ų | 35.7 | 26% | 0.255 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 177.4 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | G283 A306 V495 V497 L501 T502 R503 | G283-V499 WeakPolarHBondContact O-CG1 3.49Å; A306-V499 HydrophobicContact CB-CG2 4.35Å; V495-V499 HydrophobicContact CG1-CG2 4.48Å; V495-V499 WeakPolarHBondContact O-CG2 3.45Å; V495-V499 PolarHBondContact O-N 3.42Å; V497-V499 PolarHBondContact O-N 3.17Å; V499-L501 VanDerWaalsContact C-N 3.35Å; V499-L501 PolarHBondContact O-N 2.95Å; V499-T502 PolarHBondContact O-N 2.93Å; V499-T502 PolarHBondContact O-OG1 3.46Å; V499-R503 PolarHBondContact O-N 3.4Å; V499-R503 VanDerWaalsContact O-N 3.09Å |
| 500 | G | 92.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.7 | -41.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T496 V497 S498 A504 G543 | T496-G500 PolarHBondContact O-N 2.96Å; V497-G500 PolarHBondContact O-N 2.68Å; S498-G500 PolarHBondContact O-N 3.28Å; G500-A504 VanDerWaalsContact O-CB 3.3Å; G500-A504 WeakPolarHBondContact O-CB 3.28Å; G500-A504 PolarHBondContact O-N 3.21Å; G500-G543 WeakPolarHBondContact O-CA 3.1Å |
| 501 | L | 90.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.2 | -42.5 | 177.6 | -70.6 | 170.8 | 0 | 0 | 0 | 111.8 | V318 L489 V497 S498 V499 R503 A504 F505 | V318-L501 HydrophobicContact CG1-CD1 4.13Å; L489-L501 HydrophobicContact CD2-CD1 3.69Å; L489-L501 HydrophobicContact CD2-CD2 3.91Å; L489-L501 HydrophobicContact CD2-CG 4.48Å; V497-L501 HydrophobicContact CG1-CD1 3.75Å; V497-L501 HydrophobicContact CG1-CG 4.18Å; V497-L501 WeakPolarHBondContact O-CB 3.31Å; V497-L501 VanDerWaalsContact O-CG 3.27Å; V497-L501 WeakPolarHBondContact O-CG 3.37Å; V497-L501 PolarHBondContact O-N 3.08Å; S498-L501 PolarHBondContact O-N 3.25Å; V499-L501 VanDerWaalsContact C-N 3.35Å; V499-L501 PolarHBondContact O-N 2.95Å; L501-R503 VanDerWaalsContact C-N 3.31Å; L501-R503 PolarHBondContact O-N 2.72Å; L501-A504 PolarHBondContact O-N 3.48Å; L501-F505 HydrophobicContact CD2-CE2 4.22Å; L501-F505 WeakPolarHBondContact O-CD2 3.26Å; L501-F505 PolarHBondContact O-N 3.03Å |
| 502 | T | 92.5 | Very high | 90.4 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 5% | 0.049 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.2 | -46.7 | 178.4 | 66.1 | 0 | 0 | 0 | 0 | 111.1 | V305 A306 N309 S498 V499 R506 | V305-T502 HydrophobicContact CG1-CG2 4.27Å; A306-T502 HydrophobicContact CB-CG2 3.68Å; N309-T502 HydrophobicContact CB-CG2 4.3Å; N309-T502 WeakPolarHBondContact ND2-CG2 3.43Å; S498-T502 WeakPolarHBondContact O-CG2 3.49Å; S498-T502 PolarHBondContact O-N 3.44Å; V499-T502 PolarHBondContact O-N 2.93Å; V499-T502 PolarHBondContact O-OG1 3.46Å; T502-R506 WeakPolarHBondContact O-CB 3.22Å; T502-R506 PolarHBondContact O-N 3.02Å |
| 503 | R | 94.1 | Very high | 91.1 | Very high | 11 Ų | 11 | 28.5 Ų | 28.5 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.5 | -51.4 | 174.3 | -175.1 | -157.6 | 172.4 | -85 | -1.2 | 111.6 | F282 G283 V499 L501 R506 A507 L546 | F282-R503 WeakPolarHBondContact O-CD 3.49Å; F282-R503 PolarHBondContact O-NE 3.02Å; G283-R503 WeakPolarHBondContact O-CB 3.45Å; V499-R503 PolarHBondContact O-N 3.4Å; V499-R503 VanDerWaalsContact O-N 3.09Å; L501-R503 VanDerWaalsContact C-N 3.31Å; L501-R503 PolarHBondContact O-N 2.72Å; R503-R506 PolarHBondContact O-N 3.44Å; R503-A507 VanDerWaalsContact O-CB 3.23Å; R503-A507 WeakPolarHBondContact O-CB 3.26Å; R503-A507 PolarHBondContact O-N 3.33Å; R503-L546 PolarHBondContact NH1-O 3.26Å; R503-L546 PolarHBondContact NH2-O 3.09Å |
| 504 | A | 93.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 2% | 0.017 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -50.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L483 G500 L501 R506 A507 V508 L546 | L483-A504 HydrophobicContact CD1-CB 3.87Å; L483-A504 HydrophobicContact CD2-CB 4.04Å; G500-A504 VanDerWaalsContact O-CB 3.3Å; G500-A504 WeakPolarHBondContact O-CB 3.28Å; G500-A504 PolarHBondContact O-N 3.21Å; L501-A504 PolarHBondContact O-N 3.48Å; A504-R506 VanDerWaalsContact C-N 3.33Å; A504-R506 PolarHBondContact O-N 3.37Å; A504-A507 PolarHBondContact O-N 3.42Å; A504-V508 WeakPolarHBondContact O-CG2 3.49Å; A504-V508 PolarHBondContact O-N 2.99Å; A504-L546 HydrophobicContact CB-CD1 4Å |
| 505 | F | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.1 | -32.6 | 179.2 | -82.5 | -77.8 | 0 | 0 | 0 | 113.1 | V319 T323 V480 L483 L501 | V319-F505 HydrophobicContact CG1-CZ 4.28Å; T323-F505 WeakPolarHBondContact OG1-CD1 3.45Å; T323-F505 VanDerWaalsContact OG1-CE1 3.26Å; T323-F505 WeakPolarHBondContact OG1-CE1 3.23Å; V480-F505 HydrophobicContact CG1-CE1 4.37Å; L483-F505 HydrophobicContact CB-CE1 4.01Å; L483-F505 HydrophobicContact CB-CE2 4.22Å; L483-F505 HydrophobicContact CB-CZ 3.75Å; L483-F505 HydrophobicContact CD1-CD1 4.28Å; L483-F505 HydrophobicContact CD1-CE1 4.41Å; L483-F505 HydrophobicContact CD1-CG 4.33Å; L501-F505 HydrophobicContact CD2-CE2 4.22Å; L501-F505 WeakPolarHBondContact O-CD2 3.26Å; L501-F505 PolarHBondContact O-N 3.03Å |
| 506 | R | 94.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 2% | 0.015 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -72.9 | -45.8 | 174.5 | -172.8 | -175.5 | 178.5 | 171.5 | 10.4 | 112.5 | L284 G285 S302 L329 S330 T502 R503 A504 V508 W509 Q510 | L284-R506 VanDerWaalsContact O-CD 3.23Å; L284-R506 WeakPolarHBondContact O-CD 3.4Å; L284-R506 PolarHBondContact O-NH1 3.02Å; G285-R506 VanDerWaalsContact O-CD 3.3Å; G285-R506 WeakPolarHBondContact O-CD 3.46Å; G285-R506 WeakPolarHBondContact O-CG 3.47Å; G285-R506 PolarHBondContact O-NE 3.28Å; S302-R506 PolarHBondContact OG-NH1 2.83Å; L329-R506 PolarHBondContact O-NH2 3.17Å; S330-R506 PolarHBondContact OG-O 3.39Å; T502-R506 WeakPolarHBondContact O-CB 3.22Å; T502-R506 PolarHBondContact O-N 3.02Å; R503-R506 PolarHBondContact O-N 3.44Å; A504-R506 VanDerWaalsContact C-N 3.33Å; A504-R506 PolarHBondContact O-N 3.37Å; R506-V508 PolarHBondContact O-N 3.21Å; R506-W509 PolarHBondContact O-N 3.39Å; R506-Q510 HydrophobicContact CG-CB 4.47Å; R506-Q510 PolarHBondContact O-N 2.97Å |
| 507 | A | 93.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 12.6 Ų | 12.6 | 4% | 0.041 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.8 | -31.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R503 A504 W509 S511 A515 | R503-A507 VanDerWaalsContact O-CB 3.23Å; R503-A507 WeakPolarHBondContact O-CB 3.26Å; R503-A507 PolarHBondContact O-N 3.33Å; A504-A507 PolarHBondContact O-N 3.42Å; A507-W509 PolarHBondContact O-N 3.24Å; A507-S511 CarbonylContact O-C 3.59Å; A507-S511 PolarHBondContact O-N 3.37Å; A507-A515 HydrophobicContact CB-CB 4.27Å; A507-A515 WeakPolarHBondContact O-CB 3.31Å |
| 508 | V | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -51.7 | -39.3 | 173.1 | 166.1 | 0 | 0 | 0 | 0 | 112.4 | P476 M479 V480 L483 A504 R506 S512 M519 | P476-V508 HydrophobicContact CB-CG1 3.81Å; M479-V508 HydrophobicContact CB-CG1 4.11Å; M479-V508 HydrophobicContact CB-CG2 3.77Å; M479-V508 HydrophobicContact CE-CG1 4.15Å; M479-V508 HydrophobicContact SD-CG2 4.32Å; V480-V508 HydrophobicContact CG2-CG1 4.03Å; L483-V508 HydrophobicContact CD1-CG2 3.97Å; A504-V508 WeakPolarHBondContact O-CG2 3.49Å; A504-V508 PolarHBondContact O-N 2.99Å; R506-V508 PolarHBondContact O-N 3.21Å; V508-S512 WeakPolarHBondContact O-CA 3.3Å; V508-S512 VanDerWaalsContact O-CB 3.31Å; V508-S512 WeakPolarHBondContact O-CB 3.48Å; V508-S512 PolarHBondContact O-OG 3.48Å; V508-M519 HydrophobicContact CG2-CE 3.8Å |
| 509 | W | 93.3 | Very high | 93 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 0% | 0.004 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -96.3 | -42.6 | -179.3 | -58.8 | 104.5 | 0 | 0 | 0 | 112 | F327 A384 P476 F477 V480 R506 A507 S511 Y695 | F327-W509 HydrophobicContact CB-CG 4.41Å; F327-W509 AromaticContact CD2-CD2 3.63Å; F327-W509 HydrophobicContact CD2-CD2 3.63Å; F327-W509 AromaticContact CD2-CE2 3.88Å; F327-W509 AromaticContact CD2-CE3 3.69Å; F327-W509 HydrophobicContact CD2-CE3 3.69Å; F327-W509 HydrophobicContact CD2-CG 4.1Å; F327-W509 HydrophobicContact CD2-CH2 4.25Å; F327-W509 HydrophobicContact CD2-CZ2 4.2Å; F327-W509 HydrophobicContact CD2-CZ3 4Å; F327-W509 HydrophobicContact CE2-CD2 4.41Å; F327-W509 HydrophobicContact CE2-CE3 4.01Å; F327-W509 HydrophobicContact CE2-CZ3 4.06Å; A384-W509 HydrophobicContact CB-CH2 4.25Å; A384-W509 HydrophobicContact CB-CZ2 3.82Å; P476-W509 HydrophobicContact CB-CD2 4.37Å; P476-W509 HydrophobicContact CB-CE3 3.94Å; P476-W509 HydrophobicContact CB-CH2 3.84Å; P476-W509 HydrophobicContact CB-CZ2 4.27Å; P476-W509 HydrophobicContact CB-CZ3 3.66Å; P476-W509 HydrophobicContact CG-CE3 4.41Å; P476-W509 HydrophobicContact CG-CZ3 4.24Å; F477-W509 HydrophobicContact CD2-CH2 4.38Å; F477-W509 HydrophobicContact CE2-CH2 4.06Å; V480-W509 HydrophobicContact CG2-CZ2 4.37Å; R506-W509 PolarHBondContact O-N 3.39Å; A507-W509 PolarHBondContact O-N 3.24Å; W509-S511 PolarHBondContact O-N 3.41Å; W509-Y695 HydrophobicContact CB-CD2 4.39Å; W509-Y695 HydrophobicContact CB-CG 4.46Å; W509-Y695 HydrophobicContact CE3-CD1 4.42Å; W509-Y695 AromaticContact CE3-CD2 3.76Å; W509-Y695 HydrophobicContact CE3-CD2 3.76Å; W509-Y695 HydrophobicContact CE3-CE1 4.21Å; W509-Y695 AromaticContact CE3-CE2 3.52Å; W509-Y695 HydrophobicContact CE3-CE2 3.52Å; W509-Y695 HydrophobicContact CE3-CG 4.21Å; W509-Y695 AromaticContact CE3-CZ 3.75Å; W509-Y695 HydrophobicContact CZ3-CE1 4.33Å; W509-Y695 AromaticContact CZ3-CE2 3.86Å; W509-Y695 HydrophobicContact CZ3-CE2 3.86Å; W509-Y695 AromaticContact CZ3-CZ 3.73Å; W509-Y695 WeakPolarHBondContact O-CB 3.46Å; W509-Y695 WeakPolarHBondContact O-CD2 3.38Å |
| 510 | Q | 92 | Very high | 93.2 | Very high | 7 Ų | 7 | 11.6 Ų | 11.6 | 3% | 0.033 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | -177.1 | -169.3 | 79.3 | 45.4 | 0 | 0 | 112.6 | S330 R506 R693 G694 | S330-Q510 PolarHBondContact OG-N 3.01Å; R506-Q510 HydrophobicContact CG-CB 4.47Å; R506-Q510 PolarHBondContact O-N 2.97Å; Q510-R693 PolarHBondContact NE2-O 3.17Å; Q510-G694 VanDerWaalsContact NE2-CA 3.33Å |
| 511 | S | 90 | Very high | 93.3 | Very high | 34 Ų | 34 | 13.7 Ų | 13.7 | 24% | 0.238 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -146.1 | 65.3 | -175.4 | 61.5 | 0 | 0 | 0 | 0 | 110.4 | A507 W509 E513 D514 A515 | A507-S511 CarbonylContact O-C 3.59Å; A507-S511 PolarHBondContact O-N 3.37Å; W509-S511 PolarHBondContact O-N 3.41Å; S511-E513 PolarHBondContact O-N 2.84Å; S511-E513 VanDerWaalsContact O-N 3.1Å; S511-D514 PolarHBondContact O-N 3.45Å; S511-D514 VanDerWaalsContact O-N 3.11Å; S511-A515 WeakPolarHBondContact O-CB 3.3Å; S511-A515 PolarHBondContact O-N 3.3Å |
| 512 | S | 91.5 | Very high | 93.3 | Very high | 4 Ų | 4 | 13.7 Ų | 13.7 | 3% | 0.028 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -53.8 | -35.2 | -172.5 | -47.9 | 0 | 0 | 0 | 0 | 114 | V508 L516 | V508-S512 WeakPolarHBondContact O-CA 3.3Å; V508-S512 VanDerWaalsContact O-CB 3.31Å; V508-S512 WeakPolarHBondContact O-CB 3.48Å; V508-S512 PolarHBondContact O-OG 3.48Å; S512-L516 WeakPolarHBondContact O-CB 3.4Å; S512-L516 PolarHBondContact O-N 2.65Å |
| 513 | E | 90.4 | Very high | 93.2 | Very high | 18 Ų | 18 | 13.3 Ų | 13.3 | 8% | 0.084 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.5 | -46.3 | 179.3 | -171.5 | 165.6 | -163.6 | 0 | 0 | 112.6 | R426 R467 L471 S511 L517 | R426-E513 WeakPolarHBondContact CD-OE1 3.42Å; R426-E513 IonicContact CZ-OE1 3.86Å; R426-E513 IonicContact NE-OE1 2.92Å; R426-E513 IonicContact NH1-OE1 3.27Å; R426-E513 PolarHBondContact NH1-OE1 3.46Å; R467-E513 IonicContact NH2-OE1 3.17Å; R467-E513 PolarHBondContact NH2-OE1 3.32Å; R467-E513 IonicContact NH2-OE2 3.85Å; R467-E513 PolarHBondContact NH2-OE2 3.06Å; L471-E513 HydrophobicContact CD1-CB 4.05Å; L471-E513 HydrophobicContact CD2-CB 4.37Å; S511-E513 PolarHBondContact O-N 2.84Å; S511-E513 VanDerWaalsContact O-N 3.1Å; E513-L517 PolarHBondContact O-N 3.38Å |
| 514 | D | 91.3 | Very high | 93.1 | Very high | 60 Ų | 60 | 17.1 Ų | 17.1 | 32% | 0.321 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -73.4 | -36.1 | 178.6 | -62 | -38.5 | 0 | 0 | 0 | 111.3 | S511 L517 Q518 | S511-D514 PolarHBondContact O-N 3.45Å; S511-D514 VanDerWaalsContact O-N 3.11Å; D514-L517 PolarHBondContact O-N 2.85Å; D514-Q518 WeakPolarHBondContact O-CG 3.46Å; D514-Q518 PolarHBondContact O-N 3.27Å |
| 515 | A | 93.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 3% | 0.025 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M479 A507 S511 L517 Q518 M519 | M479-A515 HydrophobicContact SD-CB 4.1Å; A507-A515 HydrophobicContact CB-CB 4.27Å; A507-A515 WeakPolarHBondContact O-CB 3.31Å; S511-A515 WeakPolarHBondContact O-CB 3.3Å; S511-A515 PolarHBondContact O-N 3.3Å; A515-L517 PolarHBondContact O-N 3.04Å; A515-Q518 PolarHBondContact O-N 3.18Å; A515-M519 WeakPolarHBondContact O-CG 3.46Å; A515-M519 PolarHBondContact O-N 2.84Å |
| 516 | L | 95 | Very high | 92.3 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.3 | -44.7 | 176 | -179.1 | 62.9 | 0 | 0 | 0 | 111.3 | L415 F419 M479 S512 M519 V520 | L415-L516 HydrophobicContact CB-CD1 4.34Å; L415-L516 HydrophobicContact CD2-CD1 3.65Å; F419-L516 HydrophobicContact CB-CD2 3.99Å; F419-L516 HydrophobicContact CB-CG 3.98Å; F419-L516 HydrophobicContact CD2-CD2 4.33Å; F419-L516 HydrophobicContact CD2-CG 4.24Å; M479-L516 HydrophobicContact CE-CB 4.43Å; M479-L516 HydrophobicContact CG-CD1 4.43Å; M479-L516 HydrophobicContact SD-CB 3.98Å; M479-L516 HydrophobicContact SD-CD1 4.33Å; S512-L516 WeakPolarHBondContact O-CB 3.4Å; S512-L516 PolarHBondContact O-N 2.65Å; L516-M519 PolarHBondContact O-N 3.35Å; L516-V520 WeakPolarHBondContact O-CG2 3.29Å; L516-V520 PolarHBondContact O-N 3.29Å |
| 517 | L | 94 | Very high | 91.8 | Very high | 49 Ų | 49 | 23.6 Ų | 23.6 | 26% | 0.257 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -60.9 | -46 | 175 | 175.6 | 58.8 | 0 | 0 | 0 | 111.8 | F419 E513 D514 A515 M519 V520 V521 M553 | F419-L517 HydrophobicContact CD2-CB 4.37Å; F419-L517 HydrophobicContact CE1-CD1 4.29Å; F419-L517 HydrophobicContact CE2-CB 3.88Å; F419-L517 HydrophobicContact CE2-CD1 3.69Å; F419-L517 HydrophobicContact CE2-CG 4.28Å; F419-L517 HydrophobicContact CZ-CD1 3.55Å; E513-L517 PolarHBondContact O-N 3.38Å; D514-L517 PolarHBondContact O-N 2.85Å; A515-L517 PolarHBondContact O-N 3.04Å; L517-M519 PolarHBondContact O-N 3.26Å; L517-V520 PolarHBondContact O-N 3.32Å; L517-V521 HydrophobicContact CD1-CG2 4.34Å; L517-V521 WeakPolarHBondContact O-CG2 3.36Å; L517-V521 PolarHBondContact O-N 2.8Å; L517-M553 HydrophobicContact CD1-CE 4.05Å; L517-M553 HydrophobicContact CD2-CE 3.35Å; L517-M553 HydrophobicContact CD2-SD 4.41Å; L517-M553 HydrophobicContact CG-CE 3.56Å; L517-M553 HydrophobicContact CG-SD 4.16Å |
| 518 | Q | 94.8 | Very high | 91.4 | Very high | 22 Ų | 22 | 27.6 Ų | 27.6 | 10% | 0.103 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -43.7 | 177.7 | -71.4 | 165.5 | 25.4 | 0 | 0 | 111.9 | D514 A515 V521 V522 L546 V549 M553 | D514-Q518 WeakPolarHBondContact O-CG 3.46Å; D514-Q518 PolarHBondContact O-N 3.27Å; A515-Q518 PolarHBondContact O-N 3.18Å; Q518-V521 PolarHBondContact O-N 2.86Å; Q518-V522 WeakPolarHBondContact O-CG2 3.26Å; Q518-V522 PolarHBondContact O-N 2.84Å; Q518-V522 VanDerWaalsContact O-N 3.09Å; Q518-L546 HydrophobicContact CB-CD2 4.02Å; Q518-V549 HydrophobicContact CB-CG1 4.44Å; Q518-V549 HydrophobicContact CG-CG1 4.42Å; Q518-M553 HydrophobicContact CG-SD 4.46Å |
| 519 | M | 94.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 176.7 | -72 | -169.9 | -174.6 | 0 | 0 | 112.1 | L415 M479 F482 L483 V508 A515 L516 L517 V521 V522 I523 L546 | L415-M519 HydrophobicContact CD1-SD 4.47Å; M479-M519 HydrophobicContact CB-CE 3.86Å; M479-M519 HydrophobicContact CB-SD 3.75Å; M479-M519 HydrophobicContact CG-CE 4.15Å; M479-M519 HydrophobicContact CG-SD 3.53Å; M479-M519 VanDerWaalsContact CG-SD 3.53Å; M479-M519 HydrophobicContact SD-CE 4.27Å; M479-M519 HydrophobicContact SD-SD 3.96Å; F482-M519 HydrophobicContact CD1-SD 4.15Å; L483-M519 HydrophobicContact CD1-CE 3.61Å; L483-M519 HydrophobicContact CD2-CE 3.92Å; L483-M519 HydrophobicContact CG-CE 3.65Å; V508-M519 HydrophobicContact CG2-CE 3.8Å; A515-M519 WeakPolarHBondContact O-CG 3.46Å; A515-M519 PolarHBondContact O-N 2.84Å; L516-M519 PolarHBondContact O-N 3.35Å; L517-M519 PolarHBondContact O-N 3.26Å; M519-V521 VanDerWaalsContact C-N 3.31Å; M519-V521 PolarHBondContact O-N 3.45Å; M519-V522 PolarHBondContact O-N 3.2Å; M519-I523 WeakPolarHBondContact O-CB 3.43Å; M519-I523 WeakPolarHBondContact O-CD1 3.24Å; M519-I523 VanDerWaalsContact O-CG1 3.24Å; M519-I523 WeakPolarHBondContact O-CG1 3.49Å; M519-I523 PolarHBondContact O-N 3.34Å; M519-L546 HydrophobicContact CB-CD2 4.37Å; M519-L546 HydrophobicContact CE-CD1 4.22Å; M519-L546 HydrophobicContact CG-CD1 4.28Å; M519-L546 HydrophobicContact CG-CD2 3.75Å |
| 520 | V | 95.4 | Very high | 89.6 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 176.6 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | I416 F419 L516 L517 I523 L524 | I416-V520 HydrophobicContact CG1-CG1 4.26Å; I416-V520 HydrophobicContact CG1-CG2 4.37Å; F419-V520 HydrophobicContact CB-CG2 3.81Å; F419-V520 HydrophobicContact CD1-CG1 4.41Å; F419-V520 HydrophobicContact CG-CG2 4.21Å; L516-V520 WeakPolarHBondContact O-CG2 3.29Å; L516-V520 PolarHBondContact O-N 3.29Å; L517-V520 PolarHBondContact O-N 3.32Å; V520-I523 PolarHBondContact O-N 3.31Å; V520-L524 HydrophobicContact CG1-CD1 3.92Å; V520-L524 HydrophobicContact CG1-CG 4.26Å; V520-L524 WeakPolarHBondContact O-CB 3.48Å; V520-L524 VanDerWaalsContact O-CG 3.25Å; V520-L524 WeakPolarHBondContact O-CG 3.32Å; V520-L524 PolarHBondContact O-N 3.38Å |
| 521 | V | 94.5 | Very high | 88.3 | Confident | 45 Ų | 45 | 35.9 Ų | 35.9 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | L517 Q518 M519 I523 L524 V525 V549 M553 | L517-V521 HydrophobicContact CD1-CG2 4.34Å; L517-V521 WeakPolarHBondContact O-CG2 3.36Å; L517-V521 PolarHBondContact O-N 2.8Å; Q518-V521 PolarHBondContact O-N 2.86Å; M519-V521 VanDerWaalsContact C-N 3.31Å; M519-V521 PolarHBondContact O-N 3.45Å; V521-I523 VanDerWaalsContact C-N 3.34Å; V521-I523 PolarHBondContact O-N 3.33Å; V521-L524 PolarHBondContact O-N 3.02Å; V521-V525 WeakPolarHBondContact O-CG2 3.48Å; V521-V525 PolarHBondContact O-N 2.83Å; V521-V549 HydrophobicContact CB-CG1 3.99Å; V521-V549 HydrophobicContact CG1-CG1 3.76Å; V521-V549 HydrophobicContact CG1-CG2 4.42Å; V521-M553 HydrophobicContact CG2-SD 4.11Å |
| 522 | V | 91.7 | Very high | 87.4 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | Q518 M519 L524 V525 Q526 Q545 L546 V549 | Q518-V522 WeakPolarHBondContact O-CG2 3.26Å; Q518-V522 PolarHBondContact O-N 2.84Å; Q518-V522 VanDerWaalsContact O-N 3.09Å; M519-V522 PolarHBondContact O-N 3.2Å; V522-L524 PolarHBondContact O-N 3.03Å; V522-V525 PolarHBondContact O-N 3.08Å; V522-Q526 WeakPolarHBondContact O-CG 3.34Å; V522-Q526 PolarHBondContact O-N 3.12Å; V522-Q545 HydrophobicContact CG1-CB 4.5Å; V522-Q545 HydrophobicContact CG2-CB 4.32Å; V522-L546 HydrophobicContact CB-CD2 4.41Å; V522-L546 HydrophobicContact CG2-CD2 3.77Å; V522-L546 HydrophobicContact CG2-CG 4.36Å; V522-V549 HydrophobicContact CG2-CB 4.4Å; V522-V549 HydrophobicContact CG2-CG2 3.82Å |
| 523 | I | 90.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 176.7 | -71.8 | 162.8 | 0 | 0 | 0 | 110.9 | L403 L415 I416 F482 M519 V520 V521 V525 Q526 L527 | L403-I523 HydrophobicContact CD2-CG2 4.39Å; L415-I523 HydrophobicContact CB-CD1 4.26Å; L415-I523 HydrophobicContact CD1-CD1 3.74Å; I416-I523 HydrophobicContact CD1-CG2 4.06Å; F482-I523 HydrophobicContact CE2-CD1 4.11Å; F482-I523 HydrophobicContact CE2-CG1 4.1Å; F482-I523 HydrophobicContact CZ-CD1 4.27Å; F482-I523 HydrophobicContact CZ-CG1 4Å; M519-I523 WeakPolarHBondContact O-CB 3.43Å; M519-I523 WeakPolarHBondContact O-CD1 3.24Å; M519-I523 VanDerWaalsContact O-CG1 3.24Å; M519-I523 WeakPolarHBondContact O-CG1 3.49Å; M519-I523 PolarHBondContact O-N 3.34Å; V520-I523 PolarHBondContact O-N 3.31Å; V521-I523 VanDerWaalsContact C-N 3.34Å; V521-I523 PolarHBondContact O-N 3.33Å; I523-V525 VanDerWaalsContact C-N 3.34Å; I523-V525 PolarHBondContact O-N 3.3Å; I523-Q526 PolarHBondContact O-N 3.01Å; I523-L527 HydrophobicContact CG2-CD1 3.79Å; I523-L527 HydrophobicContact CG2-CG 4.22Å; I523-L527 WeakPolarHBondContact O-CB 3.19Å; I523-L527 VanDerWaalsContact O-CG 3.3Å; I523-L527 WeakPolarHBondContact O-CG 3.31Å; I523-L527 PolarHBondContact O-N 2.94Å |
| 524 | L | 90.8 | Very high | 85.4 | Confident | 91 Ų | 91 | 49.6 Ų | 49.6 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 178.9 | -73.1 | 173.4 | 0 | 0 | 0 | 112.1 | I416 V520 V521 V522 L527 A528 | I416-L524 HydrophobicContact CD1-CD2 4.36Å; V520-L524 HydrophobicContact CG1-CD1 3.92Å; V520-L524 HydrophobicContact CG1-CG 4.26Å; V520-L524 WeakPolarHBondContact O-CB 3.48Å; V520-L524 VanDerWaalsContact O-CG 3.25Å; V520-L524 WeakPolarHBondContact O-CG 3.32Å; V520-L524 PolarHBondContact O-N 3.38Å; V521-L524 PolarHBondContact O-N 3.02Å; V522-L524 PolarHBondContact O-N 3.03Å; L524-L527 PolarHBondContact O-N 3.19Å; L524-A528 VanDerWaalsContact O-CB 3.24Å; L524-A528 WeakPolarHBondContact O-CB 3.45Å; L524-A528 PolarHBondContact O-N 2.86Å |
| 525 | V | 88.6 | Confident | 84.6 | Confident | 60 Ų | 60 | 51.5 Ų | 51.5 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.3 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | V521 V522 I523 A528 A529 | V521-V525 WeakPolarHBondContact O-CG2 3.48Å; V521-V525 PolarHBondContact O-N 2.83Å; V522-V525 PolarHBondContact O-N 3.08Å; I523-V525 VanDerWaalsContact C-N 3.34Å; I523-V525 PolarHBondContact O-N 3.3Å; V525-A528 PolarHBondContact O-N 2.79Å; V525-A529 PolarHBondContact O-N 2.95Å |
| 526 | Q | 82.6 | Confident | 84 | Confident | 36 Ų | 36 | 62.3 Ų | 62.3 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.6 | -42 | 177.3 | -70.6 | 175.3 | -6.6 | 0 | 0 | 112.1 | L403 V522 I523 A528 A529 G530 | L403-Q526 HydrophobicContact CD2-CB 3.9Å; V522-Q526 WeakPolarHBondContact O-CG 3.34Å; V522-Q526 PolarHBondContact O-N 3.12Å; I523-Q526 PolarHBondContact O-N 3.01Å; Q526-A528 VanDerWaalsContact C-N 3.34Å; Q526-A528 PolarHBondContact O-N 3.2Å; Q526-A529 PolarHBondContact O-N 3.16Å; Q526-G530 PolarHBondContact O-N 3.3Å |
| 527 | L | 84.7 | Confident | 83.4 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 25% | 0.251 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 174.8 | -72.6 | 174 | 0 | 0 | 0 | 112 | L403 V404 I416 I523 L524 A529 G530 | L403-L527 HydrophobicContact CD2-CD2 4.09Å; L403-L527 HydrophobicContact CD2-CG 4.13Å; V404-L527 HydrophobicContact CG2-CD2 4Å; I416-L527 HydrophobicContact CD1-CD1 4.17Å; I523-L527 HydrophobicContact CG2-CD1 3.79Å; I523-L527 HydrophobicContact CG2-CG 4.22Å; I523-L527 WeakPolarHBondContact O-CB 3.19Å; I523-L527 VanDerWaalsContact O-CG 3.3Å; I523-L527 WeakPolarHBondContact O-CG 3.31Å; I523-L527 PolarHBondContact O-N 2.94Å; L524-L527 PolarHBondContact O-N 3.19Å; L527-A529 VanDerWaalsContact C-N 3.34Å; L527-G530 PolarHBondContact O-N 3.38Å |
| 528 | A | 84.9 | Confident | 82.6 | Confident | 89 Ų | 89 | 65.7 Ų | 65.7 | 74% | 0.736 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -68.7 | -30.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L524 V525 Q526 G530 | L524-A528 VanDerWaalsContact O-CB 3.24Å; L524-A528 WeakPolarHBondContact O-CB 3.45Å; L524-A528 PolarHBondContact O-N 2.86Å; V525-A528 PolarHBondContact O-N 2.79Å; Q526-A528 VanDerWaalsContact C-N 3.34Å; Q526-A528 PolarHBondContact O-N 3.2Å; A528-G530 VanDerWaalsContact C-N 3.26Å; A528-G530 PolarHBondContact O-N 3.09Å |
| 529 | A | 79.4 | Confident | 82 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.8 | -23.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V525 Q526 L527 S531 K532 L534 | V525-A529 PolarHBondContact O-N 2.95Å; Q526-A529 PolarHBondContact O-N 3.16Å; L527-A529 VanDerWaalsContact C-N 3.34Å; A529-S531 PolarHBondContact O-N 3.23Å; A529-K532 PolarHBondContact O-N 3.37Å; A529-K532 VanDerWaalsContact O-N 3.11Å; A529-L534 HydrophobicContact CB-CD1 4Å; A529-L534 HydrophobicContact CB-CG 4.3Å |
| 530 | G | 72.6 | Confident | 81.5 | Confident | 42 Ų | 42 | 70.6 Ų | 70.6 | 43% | 0.433 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -122.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q526 L527 A528 | Q526-G530 PolarHBondContact O-N 3.3Å; L527-G530 PolarHBondContact O-N 3.38Å; A528-G530 VanDerWaalsContact C-N 3.26Å; A528-G530 PolarHBondContact O-N 3.09Å |
| 531 | S | 64.8 | Low | 81 | Confident | 112 Ų | 112 | 70.8 Ų | 70.8 | 78% | 0.783 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -1.4 | 176.1 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | A529 | A529-S531 PolarHBondContact O-N 3.23Š|
| 532 | K | 69.8 | Low | 80.7 | Confident | 169 Ų | 169 | 69.1 Ų | 69.1 | 74% | 0.735 | 40% | 0.396 | S | S | * | . | trans | -89.9 | 114.6 | 179.8 | -64.1 | -179.9 | -178.4 | 176.6 | 0 | 109 | A529 | A529-K532 PolarHBondContact O-N 3.37Å; A529-K532 VanDerWaalsContact O-N 3.11Å | ||
| 533 | T | 65.3 | Low | 80.6 | Confident | 96 Ų | 96 | 69.2 Ų | 69.2 | 59% | 0.589 | 40% | 0.397 | S | S | * | . | trans | -66.5 | 136 | 171.6 | 50.1 | 0 | 0 | 0 | 0 | 109.8 | P535 | T533-P535 WeakPolarHBondContact O-CD 3.31Š| ||
| 534 | L | 75.6 | Confident | 80.6 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 41% | 0.408 | 40% | 0.404 | S | S | . | . | trans | -99.8 | 87.1 | 173.7 | -74.1 | 171.8 | 0 | 0 | 0 | 107.1 | A529 R536 W537 D538 | A529-L534 HydrophobicContact CB-CD1 4Å; A529-L534 HydrophobicContact CB-CG 4.3Å; L534-R536 PolarHBondContact O-N 3.36Å; L534-W537 HydrophobicContact CB-CB 3.84Å; L534-W537 PolarHBondContact O-N 3.27Å; L534-D538 PolarHBondContact N-OD2 2.77Å; L534-D538 PolarHBondContact O-N 2.98Å | ||
| 535 | P | 73.4 | Confident | 80.6 | Confident | 101 Ų | 101 | 66.1 Ų | 66.1 | 66% | 0.656 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.9 | -29.8 | -163.3 | 21.1 | -33.9 | 0 | 0 | 0 | 114.1 | T533 A539 | T533-P535 WeakPolarHBondContact O-CD 3.31Å; P535-A539 WeakPolarHBondContact O-CB 3.3Å; P535-A539 PolarHBondContact O-N 3.34Å |
| 536 | R | 80.6 | Confident | 80.8 | Confident | 229 Ų | 229 | 63.4 Ų | 63.4 | 86% | 0.864 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -77.8 | -34.3 | 175.1 | -77.7 | -175.9 | 171.2 | 173.7 | -3.6 | 113.7 | L534 L540 | L534-R536 PolarHBondContact O-N 3.36Å; R536-L540 WeakPolarHBondContact O-CG 3.36Å |
| 537 | W | 82.4 | Confident | 81.4 | Confident | 54 Ų | 54 | 63.4 Ų | 63.4 | 21% | 0.205 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -78.7 | -45.8 | -179.4 | -178.5 | -106.2 | 0 | 0 | 0 | 110.6 | L534 A539 L540 Q545 L548 V549 | L534-W537 HydrophobicContact CB-CB 3.84Å; L534-W537 PolarHBondContact O-N 3.27Å; W537-A539 VanDerWaalsContact C-N 3.3Å; W537-A539 PolarHBondContact O-N 2.95Å; W537-L540 HydrophobicContact CE3-CD1 4.11Å; W537-L540 WeakPolarHBondContact O-CB 3.34Å; W537-L540 PolarHBondContact O-N 3.45Å; W537-Q545 HydrophobicContact CD2-CG 4.1Å; W537-Q545 HydrophobicContact CH2-CB 4.05Å; W537-Q545 HydrophobicContact CH2-CG 4.14Å; W537-Q545 HydrophobicContact CZ2-CB 3.67Å; W537-Q545 HydrophobicContact CZ2-CG 3.67Å; W537-Q545 PolarHBondContact O-NE2 3.45Å; W537-L548 HydrophobicContact CZ3-CD1 4.36Å; W537-V549 HydrophobicContact CH2-CG2 3.99Å; W537-V549 HydrophobicContact CZ2-CG2 4.3Å |
| 538 | D | 78.6 | Confident | 81.8 | Confident | 69 Ų | 69 | 63.9 Ų | 63.9 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68 | -31.6 | -177.8 | -58.3 | -26.9 | 0 | 0 | 0 | 111.5 | L534 L540 G541 | L534-D538 PolarHBondContact N-OD2 2.77Å; L534-D538 PolarHBondContact O-N 2.98Å; D538-L540 PolarHBondContact O-N 2.8Å; D538-G541 PolarHBondContact O-N 3.31Å |
| 539 | A | 81.9 | Confident | 82.2 | Confident | 65 Ų | 65 | 60.1 Ų | 60.1 | 54% | 0.537 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | P535 W537 G541 | P535-A539 WeakPolarHBondContact O-CB 3.3Å; P535-A539 PolarHBondContact O-N 3.34Å; W537-A539 VanDerWaalsContact C-N 3.3Å; W537-A539 PolarHBondContact O-N 2.95Å; A539-G541 VanDerWaalsContact C-N 3.34Å |
| 540 | L | 82.6 | Confident | 82.9 | Confident | 62 Ų | 62 | 59 Ų | 59 | 33% | 0.325 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -26 | -179.3 | -66.9 | 166.1 | 0 | 0 | 0 | 112.5 | R536 W537 D538 V544 Q545 L548 | R536-L540 WeakPolarHBondContact O-CG 3.36Å; W537-L540 HydrophobicContact CE3-CD1 4.11Å; W537-L540 WeakPolarHBondContact O-CB 3.34Å; W537-L540 PolarHBondContact O-N 3.45Å; D538-L540 PolarHBondContact O-N 2.8Å; L540-V544 HydrophobicContact CB-CB 4.26Å; L540-V544 HydrophobicContact CB-CG1 4.23Å; L540-V544 HydrophobicContact CD2-CG1 4.37Å; L540-V544 WeakPolarHBondContact O-CB 3.45Å; L540-V544 WeakPolarHBondContact O-CG2 3.4Å; L540-Q545 HydrophobicContact CB-CG 4.41Å; L540-L548 HydrophobicContact CD1-CD1 3.88Å |
| 541 | G | 86 | Confident | 83.9 | Confident | 11 Ų | 11 | 59.7 Ų | 59.7 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | trans | 78.2 | 148.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D538 A539 G543 V544 Q545 | D538-G541 PolarHBondContact O-N 3.31Å; A539-G541 VanDerWaalsContact C-N 3.34Å; G541-G543 VanDerWaalsContact C-N 3.31Å; G541-G543 PolarHBondContact O-N 2.89Å; G541-V544 PolarHBondContact O-N 3.49Å; G541-V544 VanDerWaalsContact O-N 3.1Å; G541-Q545 WeakPolarHBondContact O-CG 3.43Å; G541-Q545 PolarHBondContact O-N 3.1Å | ||
| 542 | T | 87.8 | Confident | 85.2 | Confident | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.5 | -36.6 | -170.9 | -54.4 | 0 | 0 | 0 | 0 | 113.2 | F482 D486 V544 Q545 L546 | F482-T542 HydrophobicContact CE1-CG2 4.06Å; D486-T542 WeakPolarHBondContact OD1-CB 3.48Å; D486-T542 PolarHBondContact OD1-OG1 3.49Å; D486-T542 WeakPolarHBondContact OD2-CB 3.45Å; D486-T542 PolarHBondContact OD2-OG1 2.89Å; T542-V544 PolarHBondContact O-N 3.34Å; T542-Q545 PolarHBondContact O-N 2.82Å; T542-L546 HydrophobicContact CG2-CD1 4.31Å; T542-L546 VanDerWaalsContact O-CG 3.3Å; T542-L546 WeakPolarHBondContact O-CG 3.3Å; T542-L546 PolarHBondContact O-N 2.87Å |
| 543 | G | 89.4 | Confident | 86.3 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G500 G541 L547 | G500-G543 WeakPolarHBondContact O-CA 3.1Å; G541-G543 VanDerWaalsContact C-N 3.31Å; G541-G543 PolarHBondContact O-N 2.89Å; G543-L547 PolarHBondContact O-N 3.25Å; G543-L547 VanDerWaalsContact O-N 3.15Å |
| 544 | V | 90.4 | Very high | 87.6 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -76.1 | -36.8 | 177.4 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | T496 L540 G541 T542 L546 L547 L548 | T496-V544 VanDerWaalsContact O-CG2 3.28Å; T496-V544 WeakPolarHBondContact O-CG2 3.44Å; L540-V544 HydrophobicContact CB-CB 4.26Å; L540-V544 HydrophobicContact CB-CG1 4.23Å; L540-V544 HydrophobicContact CD2-CG1 4.37Å; L540-V544 WeakPolarHBondContact O-CB 3.45Å; L540-V544 WeakPolarHBondContact O-CG2 3.4Å; G541-V544 PolarHBondContact O-N 3.49Å; G541-V544 VanDerWaalsContact O-N 3.1Å; T542-V544 PolarHBondContact O-N 3.34Å; V544-L546 VanDerWaalsContact C-N 3.33Å; V544-L546 PolarHBondContact O-N 3.4Å; V544-L547 WeakPolarHBondContact O-CB 3.49Å; V544-L547 PolarHBondContact O-N 2.99Å; V544-L547 VanDerWaalsContact O-N 3.17Å; V544-L548 HydrophobicContact CG1-CD1 4.33Å; V544-L548 HydrophobicContact CG1-CG 4.45Å; V544-L548 WeakPolarHBondContact O-CG 3.29Å; V544-L548 PolarHBondContact O-N 3.21Å |
| 545 | Q | 92.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57 | -46.8 | 172 | -67.9 | 174.6 | 0.7 | 0 | 0 | 111 | V522 W537 L540 G541 T542 L547 L548 V549 | V522-Q545 HydrophobicContact CG1-CB 4.5Å; V522-Q545 HydrophobicContact CG2-CB 4.32Å; W537-Q545 HydrophobicContact CD2-CG 4.1Å; W537-Q545 HydrophobicContact CH2-CB 4.05Å; W537-Q545 HydrophobicContact CH2-CG 4.14Å; W537-Q545 HydrophobicContact CZ2-CB 3.67Å; W537-Q545 HydrophobicContact CZ2-CG 3.67Å; W537-Q545 PolarHBondContact O-NE2 3.45Å; L540-Q545 HydrophobicContact CB-CG 4.41Å; G541-Q545 WeakPolarHBondContact O-CG 3.43Å; G541-Q545 PolarHBondContact O-N 3.1Å; T542-Q545 PolarHBondContact O-N 2.82Å; Q545-L547 VanDerWaalsContact C-N 3.32Å; Q545-L547 PolarHBondContact O-N 2.89Å; Q545-L548 PolarHBondContact O-N 3.14Å; Q545-V549 WeakPolarHBondContact O-CB 3.44Å; Q545-V549 WeakPolarHBondContact O-CG2 3Å; Q545-V549 PolarHBondContact O-N 3.24Å |
| 546 | L | 92.9 | Very high | 89.4 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63 | -36 | 176 | -70.2 | 170.6 | 0 | 0 | 0 | 112.7 | L483 R503 A504 Q518 M519 V522 T542 V544 G550 | L483-L546 HydrophobicContact CD2-CD1 4.01Å; R503-L546 PolarHBondContact NH1-O 3.26Å; R503-L546 PolarHBondContact NH2-O 3.09Å; A504-L546 HydrophobicContact CB-CD1 4Å; Q518-L546 HydrophobicContact CB-CD2 4.02Å; M519-L546 HydrophobicContact CB-CD2 4.37Å; M519-L546 HydrophobicContact CE-CD1 4.22Å; M519-L546 HydrophobicContact CG-CD1 4.28Å; M519-L546 HydrophobicContact CG-CD2 3.75Å; V522-L546 HydrophobicContact CB-CD2 4.41Å; V522-L546 HydrophobicContact CG2-CD2 3.77Å; V522-L546 HydrophobicContact CG2-CG 4.36Å; T542-L546 HydrophobicContact CG2-CD1 4.31Å; T542-L546 VanDerWaalsContact O-CG 3.3Å; T542-L546 WeakPolarHBondContact O-CG 3.3Å; T542-L546 PolarHBondContact O-N 2.87Å; V544-L546 VanDerWaalsContact C-N 3.33Å; V544-L546 PolarHBondContact O-N 3.4Å; L546-G550 PolarHBondContact O-N 2.85Å |
| 547 | L | 93.6 | Very high | 90 | Very high | 36 Ų | 36 | 41.5 Ų | 41.5 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.1 | -50.8 | 173.4 | -174.1 | 159.7 | 0 | 0 | 0 | 111.2 | F282 G543 V544 Q545 G550 L551 | F282-L547 WeakPolarHBondContact O-CG 3.23Å; G543-L547 PolarHBondContact O-N 3.25Å; G543-L547 VanDerWaalsContact O-N 3.15Å; V544-L547 WeakPolarHBondContact O-CB 3.49Å; V544-L547 PolarHBondContact O-N 2.99Å; V544-L547 VanDerWaalsContact O-N 3.17Å; Q545-L547 VanDerWaalsContact C-N 3.32Å; Q545-L547 PolarHBondContact O-N 2.89Å; L547-G550 PolarHBondContact O-N 2.83Å; L547-L551 WeakPolarHBondContact O-CB 3.32Å; L547-L551 PolarHBondContact O-N 3.26Å |
| 548 | L | 92.9 | Very high | 90.5 | Very high | 59 Ų | 59 | 39.6 Ų | 39.6 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64 | -44.8 | -179.3 | -69 | 174.4 | 0 | 0 | 0 | 111.8 | W537 L540 V544 Q545 L551 L552 | W537-L548 HydrophobicContact CZ3-CD1 4.36Å; L540-L548 HydrophobicContact CD1-CD1 3.88Å; V544-L548 HydrophobicContact CG1-CD1 4.33Å; V544-L548 HydrophobicContact CG1-CG 4.45Å; V544-L548 WeakPolarHBondContact O-CG 3.29Å; V544-L548 PolarHBondContact O-N 3.21Å; Q545-L548 PolarHBondContact O-N 3.14Å; L548-L551 PolarHBondContact O-N 3.21Å; L548-L552 WeakPolarHBondContact O-CB 3.26Å; L548-L552 VanDerWaalsContact O-CG 3.27Å; L548-L552 WeakPolarHBondContact O-CG 3.48Å; L548-L552 PolarHBondContact O-N 3.25Å |
| 549 | V | 94.6 | Very high | 91.3 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 175.2 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | Q518 V521 V522 W537 Q545 L551 L552 M553 | Q518-V549 HydrophobicContact CB-CG1 4.44Å; Q518-V549 HydrophobicContact CG-CG1 4.42Å; V521-V549 HydrophobicContact CB-CG1 3.99Å; V521-V549 HydrophobicContact CG1-CG1 3.76Å; V521-V549 HydrophobicContact CG1-CG2 4.42Å; V522-V549 HydrophobicContact CG2-CB 4.4Å; V522-V549 HydrophobicContact CG2-CG2 3.82Å; W537-V549 HydrophobicContact CH2-CG2 3.99Å; W537-V549 HydrophobicContact CZ2-CG2 4.3Å; Q545-V549 WeakPolarHBondContact O-CB 3.44Å; Q545-V549 WeakPolarHBondContact O-CG2 3Å; Q545-V549 PolarHBondContact O-N 3.24Å; V549-L551 PolarHBondContact O-N 3.5Å; V549-L552 PolarHBondContact O-N 3.39Å; V549-M553 HydrophobicContact CG1-CG 4.14Å; V549-M553 HydrophobicContact CG1-SD 3.9Å; V549-M553 WeakPolarHBondContact O-CB 3.11Å; V549-M553 VanDerWaalsContact O-CG 3.25Å; V549-M553 WeakPolarHBondContact O-CG 3.45Å; V549-M553 PolarHBondContact O-N 3.43Å |
| 550 | G | 93 | Very high | 91.8 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.5 | -44.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L546 L547 D554 | L546-G550 PolarHBondContact O-N 2.85Å; L547-G550 PolarHBondContact O-N 2.83Å; G550-D554 PolarHBondContact O-N 2.98Å |
| 551 | L | 93.5 | Very high | 92.2 | Very high | 56 Ų | 56 | 38.7 Ų | 38.7 | 29% | 0.293 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.5 | -48.2 | 175.8 | -176.7 | 67.7 | 0 | 0 | 0 | 111.3 | F282 L547 L548 V549 M553 D554 R555 | F282-L551 HydrophobicContact CD1-CB 4.43Å; F282-L551 HydrophobicContact CD1-CD1 4Å; F282-L551 HydrophobicContact CD2-CD1 4.35Å; F282-L551 HydrophobicContact CE1-CD1 4.26Å; F282-L551 HydrophobicContact CG-CD1 4.05Å; L547-L551 WeakPolarHBondContact O-CB 3.32Å; L547-L551 PolarHBondContact O-N 3.26Å; L548-L551 PolarHBondContact O-N 3.21Å; V549-L551 PolarHBondContact O-N 3.5Å; L551-M553 VanDerWaalsContact C-N 3.35Å; L551-M553 PolarHBondContact O-N 3.21Å; L551-D554 PolarHBondContact O-N 3.08Å; L551-R555 HydrophobicContact CD1-CG 4.34Å; L551-R555 HydrophobicContact CG-CG 4.43Å; L551-R555 VanDerWaalsContact O-CG 3.25Å; L551-R555 WeakPolarHBondContact O-CG 3.34Å; L551-R555 PolarHBondContact O-N 3.28Å |
| 552 | L | 93.7 | Very high | 92.6 | Very high | 119 Ų | 119 | 38.1 Ų | 38.1 | 62% | 0.623 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -61.7 | -41.8 | 179.8 | -73.9 | 170.3 | 0 | 0 | 0 | 112.2 | L548 V549 R555 L556 | L548-L552 WeakPolarHBondContact O-CB 3.26Å; L548-L552 VanDerWaalsContact O-CG 3.27Å; L548-L552 WeakPolarHBondContact O-CG 3.48Å; L548-L552 PolarHBondContact O-N 3.25Å; V549-L552 PolarHBondContact O-N 3.39Å; L552-R555 PolarHBondContact O-N 3.13Å; L552-L556 VanDerWaalsContact O-CB 3.26Å; L552-L556 WeakPolarHBondContact O-CB 3.49Å; L552-L556 PolarHBondContact O-N 3.49Å |
| 553 | M | 92.3 | Very high | 92.9 | Very high | 66 Ų | 66 | 39.5 Ų | 39.5 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 178 | -71.1 | -168.9 | 76.4 | 0 | 0 | 112 | L517 Q518 V521 V549 L551 G557 | L517-M553 HydrophobicContact CD1-CE 4.05Å; L517-M553 HydrophobicContact CD2-CE 3.35Å; L517-M553 HydrophobicContact CD2-SD 4.41Å; L517-M553 HydrophobicContact CG-CE 3.56Å; L517-M553 HydrophobicContact CG-SD 4.16Å; Q518-M553 HydrophobicContact CG-SD 4.46Å; V521-M553 HydrophobicContact CG2-SD 4.11Å; V549-M553 HydrophobicContact CG1-CG 4.14Å; V549-M553 HydrophobicContact CG1-SD 3.9Å; V549-M553 WeakPolarHBondContact O-CB 3.11Å; V549-M553 VanDerWaalsContact O-CG 3.25Å; V549-M553 WeakPolarHBondContact O-CG 3.45Å; V549-M553 PolarHBondContact O-N 3.43Å; L551-M553 VanDerWaalsContact C-N 3.35Å; L551-M553 PolarHBondContact O-N 3.21Å; M553-G557 PolarHBondContact O-N 3.3Å |
| 554 | D | 92.2 | Very high | 92.9 | Very high | 46 Ų | 46 | 42 Ų | 42 | 25% | 0.246 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.4 | -49.8 | 173.5 | 175.3 | 84.2 | 0 | 0 | 0 | 111.4 | F282 G550 L551 L556 G557 Q558 | F282-D554 HydrophobicContact CE1-CB 3.65Å; F282-D554 HydrophobicContact CZ-CB 3.81Å; F282-D554 VanDerWaalsContact CZ-CG 3.46Å; G550-D554 PolarHBondContact O-N 2.98Å; L551-D554 PolarHBondContact O-N 3.08Å; D554-L556 VanDerWaalsContact C-N 3.32Å; D554-L556 PolarHBondContact O-N 2.78Å; D554-G557 PolarHBondContact O-N 3.29Å; D554-G557 VanDerWaalsContact O-N 3.12Å; D554-Q558 WeakPolarHBondContact O-CG 3.49Å; D554-Q558 PolarHBondContact O-N 2.86Å; D554-Q558 PolarHBondContact OD2-NE2 2.92Å |
| 555 | R | 94.2 | Very high | 92.9 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 12% | 0.121 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.3 | -37.8 | -179.5 | -62.7 | -56.2 | -179.5 | -123.4 | 4 | 112.3 | L551 L552 Q558 F559 A606 L607 | L551-R555 HydrophobicContact CD1-CG 4.34Å; L551-R555 HydrophobicContact CG-CG 4.43Å; L551-R555 VanDerWaalsContact O-CG 3.25Å; L551-R555 WeakPolarHBondContact O-CG 3.34Å; L551-R555 PolarHBondContact O-N 3.28Å; L552-R555 PolarHBondContact O-N 3.13Å; R555-Q558 VanDerWaalsContact NH1-NE2 3.15Å; R555-Q558 PolarHBondContact O-N 3.15Å; R555-F559 WeakPolarHBondContact O-CB 3.41Å; R555-F559 PolarHBondContact O-N 3.27Å; R555-A606 WeakPolarHBondContact CD-O 3.09Å; R555-L607 PolarHBondContact NE-O 3.31Å |
| 556 | L | 93.7 | Very high | 93 | Very high | 102 Ų | 102 | 41 Ų | 41 | 53% | 0.534 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.1 | -44 | 172.9 | -179.1 | 61.8 | 0 | 0 | 0 | 111.5 | L552 D554 Q558 F559 L560 | L552-L556 VanDerWaalsContact O-CB 3.26Å; L552-L556 WeakPolarHBondContact O-CB 3.49Å; L552-L556 PolarHBondContact O-N 3.49Å; D554-L556 VanDerWaalsContact C-N 3.32Å; D554-L556 PolarHBondContact O-N 2.78Å; L556-Q558 PolarHBondContact O-N 2.79Å; L556-F559 PolarHBondContact O-N 2.97Å; L556-L560 HydrophobicContact CD1-CD1 4.41Å; L556-L560 HydrophobicContact CD1-CG 4.35Å; L556-L560 HydrophobicContact CG-CD1 4.24Å; L556-L560 WeakPolarHBondContact O-CG 3.42Å; L556-L560 PolarHBondContact O-N 2.72Å |
| 557 | G | 91.9 | Very high | 92.8 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M553 D554 L560 A561 | M553-G557 PolarHBondContact O-N 3.3Å; D554-G557 PolarHBondContact O-N 3.29Å; D554-G557 VanDerWaalsContact O-N 3.12Å; G557-L560 PolarHBondContact O-N 3.13Å; G557-A561 WeakPolarHBondContact O-CB 3.44Å; G557-A561 PolarHBondContact O-N 2.94Å |
| 558 | Q | 92.8 | Very high | 92.6 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 174.9 | -71.5 | -163.5 | 46.6 | 0 | 0 | 112.5 | D554 R555 L556 A561 K562 A606 S609 | D554-Q558 WeakPolarHBondContact O-CG 3.49Å; D554-Q558 PolarHBondContact O-N 2.86Å; D554-Q558 PolarHBondContact OD2-NE2 2.92Å; R555-Q558 VanDerWaalsContact NH1-NE2 3.15Å; R555-Q558 PolarHBondContact O-N 3.15Å; L556-Q558 PolarHBondContact O-N 2.79Å; Q558-A561 PolarHBondContact O-N 3.15Å; Q558-K562 WeakPolarHBondContact O-CB 3.27Å; Q558-K562 VanDerWaalsContact O-CG 3.25Å; Q558-K562 WeakPolarHBondContact O-CG 3.38Å; Q558-K562 PolarHBondContact O-N 2.98Å; Q558-K562 VanDerWaalsContact OE1-NZ 3.09Å; Q558-A606 HydrophobicContact CB-CB 4.4Å; Q558-S609 PolarHBondContact NE2-OG 3.05Å; Q558-S609 PolarHBondContact OE1-OG 3.05Å |
| 559 | F | 95.4 | Very high | 92.4 | Very high | 49 Ų | 49 | 41.2 Ų | 41.2 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.1 | -48.2 | 175.8 | 172.4 | -99.7 | 0 | 0 | 0 | 111.3 | R555 L556 A561 K562 L563 L599 V602 T603 A606 | R555-F559 WeakPolarHBondContact O-CB 3.41Å; R555-F559 PolarHBondContact O-N 3.27Å; L556-F559 PolarHBondContact O-N 2.97Å; F559-A561 PolarHBondContact O-N 2.72Å; F559-K562 PolarHBondContact O-N 3.48Å; F559-L563 HydrophobicContact CE1-CD2 4.23Å; F559-L563 HydrophobicContact CZ-CD2 4.38Å; F559-L563 VanDerWaalsContact O-CB 3.27Å; F559-L563 WeakPolarHBondContact O-CB 3.33Å; F559-L563 PolarHBondContact O-N 3.48Å; F559-L599 HydrophobicContact CZ-CD2 4.49Å; F559-V602 HydrophobicContact CD2-CG1 3.78Å; F559-V602 HydrophobicContact CE2-CG1 3.81Å; F559-T603 HydrophobicContact CD2-CG2 3.88Å; F559-T603 HydrophobicContact CE2-CG2 3.56Å; F559-A606 HydrophobicContact CB-CB 3.95Å |
| 560 | L | 93.3 | Very high | 92.2 | Very high | 96 Ų | 96 | 41.6 Ų | 41.6 | 50% | 0.503 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 178.7 | -68.6 | 173.8 | 0 | 0 | 0 | 112 | L556 G557 L563 K564 | L556-L560 HydrophobicContact CD1-CD1 4.41Å; L556-L560 HydrophobicContact CD1-CG 4.35Å; L556-L560 HydrophobicContact CG-CD1 4.24Å; L556-L560 WeakPolarHBondContact O-CG 3.42Å; L556-L560 PolarHBondContact O-N 2.72Å; G557-L560 PolarHBondContact O-N 3.13Å; L560-L563 PolarHBondContact O-N 2.97Å; L560-K564 WeakPolarHBondContact O-CB 3.45Å; L560-K564 PolarHBondContact O-N 3.41Å |
| 561 | A | 91.4 | Very high | 92 | Very high | 31 Ų | 31 | 45.6 Ų | 45.6 | 26% | 0.256 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | G557 Q558 F559 K564 F565 E1153 | G557-A561 WeakPolarHBondContact O-CB 3.44Å; G557-A561 PolarHBondContact O-N 2.94Å; Q558-A561 PolarHBondContact O-N 3.15Å; F559-A561 PolarHBondContact O-N 2.72Å; A561-K564 PolarHBondContact O-N 3.28Å; A561-F565 WeakPolarHBondContact O-CB 3.22Å; A561-F565 PolarHBondContact O-N 3.46Å; A561-E1153 HydrophobicContact CB-CB 4.43Å; A561-E1153 HydrophobicContact CB-CG 3.6Å |
| 562 | K | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.9 | -38 | 175.2 | -72.2 | 172.8 | 174.4 | 63.1 | 0 | 112.1 | Q558 F559 F565 T566 V602 S605 A606 A610 L612 E1153 | Q558-K562 WeakPolarHBondContact O-CB 3.27Å; Q558-K562 VanDerWaalsContact O-CG 3.25Å; Q558-K562 WeakPolarHBondContact O-CG 3.38Å; Q558-K562 PolarHBondContact O-N 2.98Å; Q558-K562 VanDerWaalsContact OE1-NZ 3.09Å; F559-K562 PolarHBondContact O-N 3.48Å; K562-F565 PolarHBondContact O-N 2.96Å; K562-T566 WeakPolarHBondContact O-CB 3.24Å; K562-T566 PolarHBondContact O-N 3.34Å; K562-T566 PolarHBondContact O-OG1 3.43Å; K562-V602 HydrophobicContact CB-CG1 3.87Å; K562-S605 WeakPolarHBondContact CE-OG 3.39Å; K562-A606 HydrophobicContact CD-CB 4.21Å; K562-A610 WeakPolarHBondContact CE-O 3.41Å; K562-A610 PolarHBondContact NZ-O 3.23Å; K562-A610 VanDerWaalsContact NZ-O 3.16Å; K562-L612 HydrophobicContact CG-CB 4.48Å; K562-E1153 VanDerWaalsContact CE-OE2 3.29Å; K562-E1153 WeakPolarHBondContact CE-OE2 3.44Å; K562-E1153 HydrophobicContact CG-CB 4.41Å; K562-E1153 HydrophobicContact CG-CG 3.93Å; K562-E1153 VanDerWaalsContact CG-OE2 3.27Å; K562-E1153 WeakPolarHBondContact CG-OE2 3.3Å; K562-E1153 VanDerWaalsContact NZ-CD 3.25Å; K562-E1153 IonicContact NZ-OE1 3.01Å; K562-E1153 PolarHBondContact NZ-OE1 3.16Å; K562-E1153 IonicContact NZ-OE2 2.85Å; K562-E1153 PolarHBondContact NZ-OE2 3.4Å |
| 563 | L | 92.8 | Very high | 91.2 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 20% | 0.199 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.4 | -46.2 | 174.5 | -177.8 | 64.2 | 0 | 0 | 0 | 110.8 | F559 L560 F565 T566 L567 W595 L599 | F559-L563 HydrophobicContact CE1-CD2 4.23Å; F559-L563 HydrophobicContact CZ-CD2 4.38Å; F559-L563 VanDerWaalsContact O-CB 3.27Å; F559-L563 WeakPolarHBondContact O-CB 3.33Å; F559-L563 PolarHBondContact O-N 3.48Å; L560-L563 PolarHBondContact O-N 2.97Å; L563-F565 VanDerWaalsContact C-N 3.31Å; L563-F565 PolarHBondContact O-N 2.96Å; L563-T566 PolarHBondContact O-N 3.48Å; L563-L567 HydrophobicContact CD1-CD1 4.36Å; L563-L567 HydrophobicContact CD1-CG 4.39Å; L563-L567 HydrophobicContact CG-CD1 4.1Å; L563-L567 WeakPolarHBondContact O-CB 3.35Å; L563-L567 VanDerWaalsContact O-CG 3.29Å; L563-L567 WeakPolarHBondContact O-CG 3.4Å; L563-L567 PolarHBondContact O-N 3.02Å; L563-W595 HydrophobicContact CD1-CH2 4.11Å; L563-W595 HydrophobicContact CD1-CZ2 4.27Å; L563-L599 HydrophobicContact CD1-CD2 4.22Å |
| 564 | K | 90.2 | Very high | 90.8 | Very high | 58 Ų | 58 | 40.6 Ų | 40.6 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56 | -47.6 | 173.6 | -177.4 | 178.6 | -180 | 177 | 0 | 110.6 | L560 A561 L567 T568 W744 | L560-K564 WeakPolarHBondContact O-CB 3.45Å; L560-K564 PolarHBondContact O-N 3.41Å; A561-K564 PolarHBondContact O-N 3.28Å; K564-L567 PolarHBondContact O-N 3.35Å; K564-T568 PolarHBondContact O-N 2.84Å; K564-T568 PolarHBondContact O-OG1 2.93Å; K564-T568 VanDerWaalsContact O-OG1 3.08Å; K564-W744 WeakPolarHBondContact CE-O 3.15Å; K564-W744 PolarHBondContact NZ-O 3.47Å |
| 565 | F | 91.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61 | -46.4 | 178.3 | 174.1 | -125.4 | 0 | 0 | 0 | 112.9 | A561 K562 L563 L567 T568 V569 L612 P614 M1185 | A561-F565 WeakPolarHBondContact O-CB 3.22Å; A561-F565 PolarHBondContact O-N 3.46Å; K562-F565 PolarHBondContact O-N 2.96Å; L563-F565 VanDerWaalsContact C-N 3.31Å; L563-F565 PolarHBondContact O-N 2.96Å; F565-L567 PolarHBondContact O-N 3.3Å; F565-T568 PolarHBondContact O-N 2.84Å; F565-V569 HydrophobicContact CD2-CG2 4.07Å; F565-V569 HydrophobicContact CE2-CG2 3.63Å; F565-V569 HydrophobicContact CZ-CG2 4.07Å; F565-V569 WeakPolarHBondContact O-CG2 3.39Å; F565-V569 PolarHBondContact O-N 2.89Å; F565-L612 HydrophobicContact CD1-CD2 4.13Å; F565-P614 HydrophobicContact CE1-CG 4.36Å; F565-P614 HydrophobicContact CZ-CB 4.48Å; F565-P614 HydrophobicContact CZ-CG 3.9Å; F565-M1185 HydrophobicContact CD2-CE 3.58Å; F565-M1185 HydrophobicContact CD2-SD 4.06Å; F565-M1185 HydrophobicContact CE2-CE 3.34Å; F565-M1185 HydrophobicContact CE2-SD 4.04Å |
| 566 | T | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 176.8 | -55.6 | 0 | 0 | 0 | 0 | 111 | K562 L563 V569 L570 V598 L612 F621 | K562-T566 WeakPolarHBondContact O-CB 3.24Å; K562-T566 PolarHBondContact O-N 3.34Å; K562-T566 PolarHBondContact O-OG1 3.43Å; L563-T566 PolarHBondContact O-N 3.48Å; T566-V569 PolarHBondContact O-N 3.16Å; T566-L570 HydrophobicContact CG2-CD1 4.03Å; T566-L570 WeakPolarHBondContact O-CB 3.41Å; T566-L570 VanDerWaalsContact O-CG 3.3Å; T566-L570 WeakPolarHBondContact O-CG 3.13Å; T566-L570 PolarHBondContact O-N 2.92Å; T566-V598 HydrophobicContact CG2-CG1 3.97Å; T566-L612 WeakPolarHBondContact OG1-CD2 3.38Å; T566-F621 HydrophobicContact CG2-CD2 4.02Å; T566-F621 HydrophobicContact CG2-CE1 4.27Å; T566-F621 HydrophobicContact CG2-CE2 3.56Å; T566-F621 HydrophobicContact CG2-CZ 3.7Å |
| 567 | L | 90.4 | Very high | 88.9 | Confident | 80 Ų | 80 | 46.5 Ų | 46.5 | 42% | 0.419 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 177.5 | -69.9 | 172 | 0 | 0 | 0 | 111.8 | L563 K564 F565 L570 V571 W595 | L563-L567 HydrophobicContact CD1-CD1 4.36Å; L563-L567 HydrophobicContact CD1-CG 4.39Å; L563-L567 HydrophobicContact CG-CD1 4.1Å; L563-L567 WeakPolarHBondContact O-CB 3.35Å; L563-L567 VanDerWaalsContact O-CG 3.29Å; L563-L567 WeakPolarHBondContact O-CG 3.4Å; L563-L567 PolarHBondContact O-N 3.02Å; K564-L567 PolarHBondContact O-N 3.35Å; F565-L567 PolarHBondContact O-N 3.3Å; L567-L570 PolarHBondContact O-N 3.4Å; L567-V571 WeakPolarHBondContact O-CB 3.24Å; L567-V571 VanDerWaalsContact O-CG2 3.3Å; L567-V571 WeakPolarHBondContact O-CG2 3.41Å; L567-V571 PolarHBondContact O-N 2.89Å; L567-W595 HydrophobicContact CD2-CH2 4.12Å |
| 568 | T | 89.3 | Confident | 88 | Confident | 15 Ų | 15 | 51.4 Ų | 51.4 | 9% | 0.092 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.4 | -50.4 | 175.8 | -64.2 | 0 | 0 | 0 | 0 | 110.7 | K564 F565 L570 V571 T572 G745 M1185 | K564-T568 PolarHBondContact O-N 2.84Å; K564-T568 PolarHBondContact O-OG1 2.93Å; K564-T568 VanDerWaalsContact O-OG1 3.08Å; F565-T568 PolarHBondContact O-N 2.84Å; T568-L570 VanDerWaalsContact C-N 3.35Å; T568-L570 PolarHBondContact O-N 3.07Å; T568-V571 PolarHBondContact O-N 3.44Å; T568-T572 HydrophobicContact CG2-CG2 4.16Å; T568-T572 WeakPolarHBondContact O-CB 3.23Å; T568-T572 VanDerWaalsContact O-CG2 3.29Å; T568-T572 WeakPolarHBondContact O-CG2 3.27Å; T568-T572 PolarHBondContact O-N 2.78Å; T568-T572 PolarHBondContact O-OG1 3.34Å; T568-G745 WeakPolarHBondContact CG2-O 3.48Å; T568-G745 PolarHBondContact OG1-O 3.44Å; T568-M1185 HydrophobicContact CG2-SD 3.73Å |
| 569 | V | 88.7 | Confident | 87 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 179.2 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | F565 T566 T572 S573 P619 F621 | F565-V569 HydrophobicContact CD2-CG2 4.07Å; F565-V569 HydrophobicContact CE2-CG2 3.63Å; F565-V569 HydrophobicContact CZ-CG2 4.07Å; F565-V569 WeakPolarHBondContact O-CG2 3.39Å; F565-V569 PolarHBondContact O-N 2.89Å; T566-V569 PolarHBondContact O-N 3.16Å; V569-T572 WeakPolarHBondContact CA-OG1 3.42Å; V569-T572 PolarHBondContact O-OG1 3Å; V569-S573 WeakPolarHBondContact O-CB 3.13Å; V569-S573 PolarHBondContact O-N 2.85Å; V569-P619 HydrophobicContact CG1-CB 4.36Å; V569-F621 HydrophobicContact CB-CE1 4.18Å; V569-F621 HydrophobicContact CB-CZ 3.96Å; V569-F621 HydrophobicContact CG1-CE1 4.15Å; V569-F621 HydrophobicContact CG1-CZ 3.87Å; V569-F621 HydrophobicContact CG2-CE1 4.48Å |
| 570 | L | 89.1 | Confident | 86.1 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.6 | -49 | 175.7 | -75.3 | 166.1 | 0 | 0 | 0 | 111.5 | T566 L567 T568 S573 L588 N591 W595 P619 F621 | T566-L570 HydrophobicContact CG2-CD1 4.03Å; T566-L570 WeakPolarHBondContact O-CB 3.41Å; T566-L570 VanDerWaalsContact O-CG 3.3Å; T566-L570 WeakPolarHBondContact O-CG 3.13Å; T566-L570 PolarHBondContact O-N 2.92Å; L567-L570 PolarHBondContact O-N 3.4Å; T568-L570 VanDerWaalsContact C-N 3.35Å; T568-L570 PolarHBondContact O-N 3.07Å; L570-S573 PolarHBondContact O-OG 2.94Å; L570-L588 HydrophobicContact CB-CD2 4.36Å; L570-L588 HydrophobicContact CD2-CD2 3.89Å; L570-N591 HydrophobicContact CD2-CB 3.9Å; L570-W595 HydrophobicContact CD1-CZ3 4.08Å; L570-P619 HydrophobicContact CD2-CB 3.66Å; L570-P619 HydrophobicContact CG-CB 4.43Å; L570-F621 HydrophobicContact CG-CE2 4.41Å |
| 571 | V | 88.4 | Confident | 85.2 | Confident | 87 Ų | 87 | 51.9 Ų | 51.9 | 53% | 0.527 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.5 | -47.7 | -179.7 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | L567 T568 S573 W574 T575 | L567-V571 WeakPolarHBondContact O-CB 3.24Å; L567-V571 VanDerWaalsContact O-CG2 3.3Å; L567-V571 WeakPolarHBondContact O-CG2 3.41Å; L567-V571 PolarHBondContact O-N 2.89Å; T568-V571 PolarHBondContact O-N 3.44Å; V571-S573 VanDerWaalsContact C-N 3.28Å; V571-S573 PolarHBondContact O-N 2.96Å; V571-W574 PolarHBondContact O-N 3.06Å; V571-W574 VanDerWaalsContact O-N 3.13Å; V571-T575 HydrophobicContact CG1-CG2 3.97Å; V571-T575 WeakPolarHBondContact O-CG2 3.35Å; V571-T575 PolarHBondContact O-N 3.35Å; V571-T575 PolarHBondContact O-OG1 2.89Å |
| 572 | T | 86.6 | Confident | 84.4 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.4 | -29.6 | -176.6 | 56.9 | 0 | 0 | 0 | 0 | 112.5 | T568 V569 W574 T575 E576 H1182 F1184 | T568-T572 HydrophobicContact CG2-CG2 4.16Å; T568-T572 WeakPolarHBondContact O-CB 3.23Å; T568-T572 VanDerWaalsContact O-CG2 3.29Å; T568-T572 WeakPolarHBondContact O-CG2 3.27Å; T568-T572 PolarHBondContact O-N 2.78Å; T568-T572 PolarHBondContact O-OG1 3.34Å; V569-T572 WeakPolarHBondContact CA-OG1 3.42Å; V569-T572 PolarHBondContact O-OG1 3Å; T572-W574 PolarHBondContact O-N 3.17Å; T572-W574 VanDerWaalsContact O-N 3.12Å; T572-T575 WeakPolarHBondContact CA-OG1 3.3Å; T572-T575 PolarHBondContact O-N 2.89Å; T572-E576 WeakPolarHBondContact O-CB 3.23Å; T572-E576 PolarHBondContact O-N 3Å; T572-H1182 WeakPolarHBondContact CB-NE2 3.19Å; T572-H1182 PolarHBondContact OG1-CE1 3.37Å; T572-H1182 VanDerWaalsContact OG1-CE1 3.25Å; T572-H1182 PolarHBondContact OG1-NE2 3.25Å; T572-F1184 HydrophobicContact CG2-CB 3.87Å; T572-F1184 HydrophobicContact CG2-CD1 4.09Å; T572-F1184 HydrophobicContact CG2-CG 3.92Å |
| 573 | S | 84.7 | Confident | 83.6 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.8 | -23.6 | 174.3 | 76.6 | 0 | 0 | 0 | 0 | 113.9 | V569 L570 V571 R580 | V569-S573 WeakPolarHBondContact O-CB 3.13Å; V569-S573 PolarHBondContact O-N 2.85Å; L570-S573 PolarHBondContact O-OG 2.94Å; V571-S573 VanDerWaalsContact C-N 3.28Å; V571-S573 PolarHBondContact O-N 2.96Å; S573-R580 WeakPolarHBondContact O-CA 3.19Å |
| 574 | W | 84.5 | Confident | 83.1 | Confident | 124 Ų | 124 | 57.2 Ų | 57.2 | 47% | 0.47 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -101.1 | -40.6 | 175.9 | -173.2 | -104.3 | 0 | 0 | 0 | 113.4 | V571 T572 L588 | V571-W574 PolarHBondContact O-N 3.06Å; V571-W574 VanDerWaalsContact O-N 3.13Å; T572-W574 PolarHBondContact O-N 3.17Å; T572-W574 VanDerWaalsContact O-N 3.12Å; W574-L588 HydrophobicContact CB-CD1 3.87Å; W574-L588 HydrophobicContact CD2-CD1 4.27Å; W574-L588 HydrophobicContact CE3-CD1 3.84Å; W574-L588 HydrophobicContact CG-CD1 4.33Å |
| 575 | T | 83.9 | Confident | 82.9 | Confident | 81 Ų | 81 | 56.1 Ų | 56.1 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -77.4 | -33 | -173.1 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | V571 T572 | V571-T575 HydrophobicContact CG1-CG2 3.97Å; V571-T575 WeakPolarHBondContact O-CG2 3.35Å; V571-T575 PolarHBondContact O-N 3.35Å; V571-T575 PolarHBondContact O-OG1 2.89Å; T572-T575 WeakPolarHBondContact CA-OG1 3.3Å; T572-T575 PolarHBondContact O-N 2.89Å |
| 576 | E | 81.1 | Confident | 82.6 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | trans | -86.3 | 122.2 | -178 | -77.4 | -57.4 | 140.9 | 0 | 0 | 112.5 | T572 K578 Q579 R580 F1184 | T572-E576 WeakPolarHBondContact O-CB 3.23Å; T572-E576 PolarHBondContact O-N 3Å; E576-K578 VanDerWaalsContact C-N 3.32Å; E576-K578 PolarHBondContact O-N 2.76Å; E576-Q579 HydrophobicContact CB-CB 4.02Å; E576-Q579 HydrophobicContact CB-CG 4.17Å; E576-Q579 PolarHBondContact O-N 3.45Å; E576-Q579 VanDerWaalsContact O-N 3.16Å; E576-R580 WeakPolarHBondContact O-CB 3.49Å; E576-R580 PolarHBondContact O-N 3.48Å; E576-F1184 HydrophobicContact CG-CD2 4.11Å; E576-F1184 HydrophobicContact CG-CE2 4.38Å; E576-F1184 WeakPolarHBondContact OE1-CD2 3.44Å; E576-F1184 WeakPolarHBondContact OE1-CE2 3.19Å | ||
| 577 | K | 75.3 | Confident | 82.4 | Confident | 169 Ų | 169 | 62.3 Ų | 62.3 | 74% | 0.735 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -38.3 | -176.2 | -66.7 | -179.8 | -177.3 | 174.2 | 0 | 112.7 | ||
| 578 | K | 71.6 | Confident | 82.3 | Confident | 141 Ų | 141 | 60.7 Ų | 60.7 | 61% | 0.613 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -26.7 | 179.6 | -70.1 | -169.3 | 176.4 | -173 | 0 | 113.1 | E576 | E576-K578 VanDerWaalsContact C-N 3.32Å; E576-K578 PolarHBondContact O-N 2.76Å |
| 579 | Q | 72.1 | Confident | 82.3 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -19.3 | -179.3 | -67.6 | -66.7 | -24.5 | 0 | 0 | 112.7 | E576 R581 Q1180 A1181 | E576-Q579 HydrophobicContact CB-CB 4.02Å; E576-Q579 HydrophobicContact CB-CG 4.17Å; E576-Q579 PolarHBondContact O-N 3.45Å; E576-Q579 VanDerWaalsContact O-N 3.16Å; Q579-R581 PolarHBondContact O-N 3.28Å; Q579-Q1180 PolarHBondContact NE2-O 3.05Å; Q579-A1181 PolarHBondContact NE2-O 2.73Å |
| 580 | R | 76.6 | Confident | 82.4 | Confident | 87 Ų | 87 | 66.7 Ų | 66.7 | 33% | 0.328 | 35% | 0.348 | S | S | . | . | trans | -75 | 95.3 | -177.6 | -172.6 | 179.3 | 178.4 | -178.9 | -0.7 | 112.2 | S573 E576 A584 | S573-R580 WeakPolarHBondContact O-CA 3.19Å; E576-R580 WeakPolarHBondContact O-CB 3.49Å; E576-R580 PolarHBondContact O-N 3.48Å; R580-A584 HydrophobicContact CG-CB 4.34Å | ||
| 581 | R | 74.7 | Confident | 82.5 | Confident | 65 Ų | 65 | 66.3 Ų | 66.3 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | trans | -80.9 | 164.5 | 172.3 | -57.4 | -168.7 | -174.9 | -167 | 6.5 | 112.7 | Q579 A583 A584 | Q579-R581 PolarHBondContact O-N 3.28Å; R581-A583 PolarHBondContact O-N 2.9Å; R581-A584 WeakPolarHBondContact O-CB 3.4Å; R581-A584 PolarHBondContact O-N 2.78Å | ||
| 582 | Q | 75.3 | Confident | 82.6 | Confident | 130 Ų | 130 | 65.7 Ų | 65.7 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -39.9 | 173.3 | -72.8 | -171.1 | 7.3 | 0 | 0 | 112.6 | M4 D7 A584 | M4-Q582 HydrophobicContact SD-CG 3.85Å; D7-Q582 WeakPolarHBondContact OD1-CG 3.5Å; D7-Q582 WeakPolarHBondContact OD2-CG 3.43Å; D7-Q582 PolarHBondContact OD2-NE2 2.84Å; Q582-A584 VanDerWaalsContact C-N 3.31Å; Q582-A584 PolarHBondContact O-N 2.79Å |
| 583 | A | 77.9 | Confident | 82.9 | Confident | 46 Ų | 46 | 69.6 Ų | 69.6 | 38% | 0.38 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 2.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R581 G585 T586 L587 | R581-A583 PolarHBondContact O-N 2.9Å; A583-G585 VanDerWaalsContact C-N 3.3Å; A583-G585 PolarHBondContact O-N 3.04Å; A583-T586 WeakPolarHBondContact CA-OG1 3.4Å; A583-T586 PolarHBondContact O-N 3.3Å; A583-T586 PolarHBondContact O-OG1 3.35Å; A583-L587 WeakPolarHBondContact O-CB 3.43Å; A583-L587 WeakPolarHBondContact O-CG 3.28Å; A583-L587 PolarHBondContact O-N 3.45Å |
| 584 | A | 81.9 | Confident | 83.3 | Confident | 5 Ų | 5 | 72.9 Ų | 72.9 | 4% | 0.041 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.6 | -39.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R580 R581 Q582 L587 L588 | R580-A584 HydrophobicContact CG-CB 4.34Å; R581-A584 WeakPolarHBondContact O-CB 3.4Å; R581-A584 PolarHBondContact O-N 2.78Å; Q582-A584 VanDerWaalsContact C-N 3.31Å; Q582-A584 PolarHBondContact O-N 2.79Å; A584-L587 PolarHBondContact O-N 3.39Å; A584-L588 WeakPolarHBondContact O-CB 3.25Å; A584-L588 WeakPolarHBondContact O-CD1 3.4Å; A584-L588 VanDerWaalsContact O-CG 3.28Å; A584-L588 WeakPolarHBondContact O-CG 3.36Å; A584-L588 PolarHBondContact O-N 2.81Å |
| 585 | G | 84.3 | Confident | 83.7 | Confident | 35 Ų | 35 | 71 Ų | 71 | 36% | 0.361 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A583 A589 | A583-G585 VanDerWaalsContact C-N 3.3Å; A583-G585 PolarHBondContact O-N 3.04Å; G585-A589 WeakPolarHBondContact O-CB 3.46Å; G585-A589 PolarHBondContact O-N 3.44Å |
| 586 | T | 86.8 | Confident | 84.2 | Confident | 97 Ų | 97 | 71.7 Ų | 71.7 | 60% | 0.595 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -71.6 | -39 | 177.6 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | A583 A589 L590 | A583-T586 WeakPolarHBondContact CA-OG1 3.4Å; A583-T586 PolarHBondContact O-N 3.3Å; A583-T586 PolarHBondContact O-OG1 3.35Å; T586-A589 PolarHBondContact O-N 3.02Å; T586-L590 VanDerWaalsContact O-CB 3.31Å; T586-L590 WeakPolarHBondContact O-CB 3.16Å; T586-L590 PolarHBondContact O-N 3.47Å |
| 587 | L | 86.8 | Confident | 84.7 | Confident | 36 Ų | 36 | 74 Ų | 74 | 19% | 0.188 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 173.6 | -70.8 | 173.4 | 0 | 0 | 0 | 112 | A583 A584 L590 N591 L618 P619 V620 | A583-L587 WeakPolarHBondContact O-CB 3.43Å; A583-L587 WeakPolarHBondContact O-CG 3.28Å; A583-L587 PolarHBondContact O-N 3.45Å; A584-L587 PolarHBondContact O-N 3.39Å; L587-L590 PolarHBondContact O-N 3.36Å; L587-N591 WeakPolarHBondContact O-CB 3.42Å; L587-N591 PolarHBondContact O-N 3.37Å; L587-N591 PolarHBondContact O-ND2 3.49Å; L587-L618 HydrophobicContact CD1-CD2 4.41Å; L587-P619 HydrophobicContact CB-CG 4.1Å; L587-P619 HydrophobicContact CD1-CG 4.29Å; L587-V620 HydrophobicContact CD2-CG2 4.1Å |
| 588 | L | 88.8 | Confident | 85.5 | Confident | 45 Ų | 45 | 66.7 Ų | 66.7 | 24% | 0.236 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 175.2 | -74.8 | 163.4 | 0 | 0 | 0 | 111.8 | L570 W574 A584 L590 N591 A592 | L570-L588 HydrophobicContact CB-CD2 4.36Å; L570-L588 HydrophobicContact CD2-CD2 3.89Å; W574-L588 HydrophobicContact CB-CD1 3.87Å; W574-L588 HydrophobicContact CD2-CD1 4.27Å; W574-L588 HydrophobicContact CE3-CD1 3.84Å; W574-L588 HydrophobicContact CG-CD1 4.33Å; A584-L588 WeakPolarHBondContact O-CB 3.25Å; A584-L588 WeakPolarHBondContact O-CD1 3.4Å; A584-L588 VanDerWaalsContact O-CG 3.28Å; A584-L588 WeakPolarHBondContact O-CG 3.36Å; A584-L588 PolarHBondContact O-N 2.81Å; L588-L590 VanDerWaalsContact C-N 3.31Å; L588-L590 PolarHBondContact O-N 3.05Å; L588-N591 PolarHBondContact O-N 2.87Å; L588-A592 WeakPolarHBondContact O-CB 3.42Å; L588-A592 PolarHBondContact O-N 2.91Å |
| 589 | A | 89.4 | Confident | 86.6 | Confident | 61 Ų | 61 | 62.4 Ų | 62.4 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G585 T586 A592 S593 | G585-A589 WeakPolarHBondContact O-CB 3.46Å; G585-A589 PolarHBondContact O-N 3.44Å; T586-A589 PolarHBondContact O-N 3.02Å; A589-A592 PolarHBondContact O-N 3.09Å; A589-S593 WeakPolarHBondContact O-CB 3.38Å; A589-S593 PolarHBondContact O-N 2.96Å; A589-S593 PolarHBondContact O-OG 3.45Å |
| 590 | L | 91 | Very high | 87.6 | Confident | 89 Ų | 89 | 63.8 Ų | 63.8 | 47% | 0.466 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.4 | -41.9 | 176.8 | -175.9 | 136.5 | 0 | 0 | 0 | 112.3 | T586 L587 L588 A592 S593 L594 | T586-L590 VanDerWaalsContact O-CB 3.31Å; T586-L590 WeakPolarHBondContact O-CB 3.16Å; T586-L590 PolarHBondContact O-N 3.47Å; L587-L590 PolarHBondContact O-N 3.36Å; L588-L590 VanDerWaalsContact C-N 3.31Å; L588-L590 PolarHBondContact O-N 3.05Å; L590-A592 VanDerWaalsContact C-N 3.31Å; L590-A592 PolarHBondContact O-N 3.45Å; L590-S593 PolarHBondContact O-N 3.06Å; L590-S593 PolarHBondContact O-OG 3.21Å; L590-S593 VanDerWaalsContact O-OG 3.04Å; L590-L594 HydrophobicContact CD2-CD1 3.91Å; L590-L594 HydrophobicContact CG-CD1 3.97Å; L590-L594 VanDerWaalsContact O-CB 3.29Å; L590-L594 WeakPolarHBondContact O-CB 3.46Å; L590-L594 WeakPolarHBondContact O-CG 3.36Å; L590-L594 PolarHBondContact O-N 3.38Å |
| 591 | N | 91.5 | Very high | 88.4 | Confident | 11 Ų | 11 | 61.1 Ų | 61.1 | 6% | 0.059 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.1 | -34.8 | 173.6 | -80.6 | -75.6 | 0 | 0 | 0 | 112.2 | L570 L587 L588 L594 W595 V598 P619 | L570-N591 HydrophobicContact CD2-CB 3.9Å; L587-N591 WeakPolarHBondContact O-CB 3.42Å; L587-N591 PolarHBondContact O-N 3.37Å; L587-N591 PolarHBondContact O-ND2 3.49Å; L588-N591 PolarHBondContact O-N 2.87Å; N591-L594 CarbonylContact O-C 3.49Å; N591-W595 VanDerWaalsContact O-CA 3.31Å; N591-W595 WeakPolarHBondContact O-CA 3.38Å; N591-W595 PolarHBondContact O-N 2.91Å; N591-V598 WeakPolarHBondContact OD1-CG2 3.31Å; N591-P619 PolarHBondContact ND2-O 3.5Å; N591-P619 PolarHBondContact OD1-O 3.31Å |
| 592 | A | 90.4 | Very high | 89.4 | Confident | 73 Ų | 73 | 58.1 Ų | 58.1 | 60% | 0.603 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.7 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L588 A589 L590 | L588-A592 WeakPolarHBondContact O-CB 3.42Å; L588-A592 PolarHBondContact O-N 2.91Å; A589-A592 PolarHBondContact O-N 3.09Å; L590-A592 VanDerWaalsContact C-N 3.31Å; L590-A592 PolarHBondContact O-N 3.45Å |
| 593 | S | 92.9 | Very high | 90.3 | Very high | 87 Ų | 87 | 54.6 Ų | 54.6 | 61% | 0.608 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -72.6 | -35.2 | 177.4 | 67.5 | 0 | 0 | 0 | 0 | 112.7 | A589 L590 | A589-S593 WeakPolarHBondContact O-CB 3.38Å; A589-S593 PolarHBondContact O-N 2.96Å; A589-S593 PolarHBondContact O-OG 3.45Å; L590-S593 PolarHBondContact O-N 3.06Å; L590-S593 PolarHBondContact O-OG 3.21Å; L590-S593 VanDerWaalsContact O-OG 3.04Å |
| 594 | L | 92.7 | Very high | 91.1 | Very high | 77 Ų | 77 | 56.1 Ų | 56.1 | 40% | 0.403 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 24.1 | 177.1 | -59.2 | 179 | 0 | 0 | 0 | 113 | L590 N591 P596 L597 V598 | L590-L594 HydrophobicContact CD2-CD1 3.91Å; L590-L594 HydrophobicContact CG-CD1 3.97Å; L590-L594 VanDerWaalsContact O-CB 3.29Å; L590-L594 WeakPolarHBondContact O-CB 3.46Å; L590-L594 WeakPolarHBondContact O-CG 3.36Å; L590-L594 PolarHBondContact O-N 3.38Å; N591-L594 CarbonylContact O-C 3.49Å; L594-P596 VanDerWaalsContact C-CD 3.42Å; L594-P596 VanDerWaalsContact C-N 3.32Å; L594-L597 HydrophobicContact CB-CB 4.29Å; L594-L597 HydrophobicContact CD1-CD2 4.39Å; L594-L597 WeakPolarHBondContact O-CA 3.43Å; L594-L597 WeakPolarHBondContact O-CB 3.49Å; L594-L597 PolarHBondContact O-N 3.11Å; L594-V598 PolarHBondContact O-N 2.66Å |
| 595 | W | 92.6 | Very high | 91.7 | Very high | 85 Ų | 85 | 55.9 Ų | 55.9 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -53.7 | -39.3 | -178.8 | -176.4 | -112.9 | 0 | 0 | 0 | 114.3 | L563 L567 L570 N591 L597 V598 L599 | L563-W595 HydrophobicContact CD1-CH2 4.11Å; L563-W595 HydrophobicContact CD1-CZ2 4.27Å; L567-W595 HydrophobicContact CD2-CH2 4.12Å; L570-W595 HydrophobicContact CD1-CZ3 4.08Å; N591-W595 VanDerWaalsContact O-CA 3.31Å; N591-W595 WeakPolarHBondContact O-CA 3.38Å; N591-W595 PolarHBondContact O-N 2.91Å; W595-L597 VanDerWaalsContact C-N 3.28Å; W595-L597 PolarHBondContact O-N 2.95Å; W595-V598 HydrophobicContact CE3-CB 4.24Å; W595-V598 HydrophobicContact CE3-CG1 4.29Å; W595-V598 HydrophobicContact CZ3-CG1 4.12Å; W595-V598 PolarHBondContact O-N 3.3Å; W595-L599 HydrophobicContact CD2-CG 4.33Å; W595-L599 HydrophobicContact CH2-CD2 4.47Å; W595-L599 HydrophobicContact CZ2-CD1 4.49Å; W595-L599 HydrophobicContact CZ2-CD2 3.82Å; W595-L599 HydrophobicContact CZ2-CG 4.1Å; W595-L599 PolarHBondContact O-N 3.03Å |
| 596 | P | 94.4 | Very high | 92.2 | Very high | 95 Ų | 95 | 54.4 Ų | 54.4 | 62% | 0.617 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.4 | -36.1 | 173.7 | -24.1 | 35.1 | 0 | 0 | 0 | 113.4 | L594 A600 | L594-P596 VanDerWaalsContact C-CD 3.42Å; L594-P596 VanDerWaalsContact C-N 3.32Å; P596-A600 WeakPolarHBondContact O-CB 3.24Å; P596-A600 PolarHBondContact O-N 3.23Å |
| 597 | L | 92.1 | Very high | 92.4 | Very high | 103 Ų | 103 | 55.4 Ų | 55.4 | 54% | 0.539 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.2 | -42.9 | 176.4 | -178.9 | 67.1 | 0 | 0 | 0 | 111 | L594 W595 L599 A600 V601 | L594-L597 HydrophobicContact CB-CB 4.29Å; L594-L597 HydrophobicContact CD1-CD2 4.39Å; L594-L597 WeakPolarHBondContact O-CA 3.43Å; L594-L597 WeakPolarHBondContact O-CB 3.49Å; L594-L597 PolarHBondContact O-N 3.11Å; W595-L597 VanDerWaalsContact C-N 3.28Å; W595-L597 PolarHBondContact O-N 2.95Å; L597-L599 VanDerWaalsContact C-N 3.33Å; L597-L599 PolarHBondContact O-N 3.1Å; L597-A600 WeakPolarHBondContact O-CB 3.36Å; L597-A600 PolarHBondContact O-N 3.2Å; L597-A600 VanDerWaalsContact O-N 3.13Å; L597-V601 WeakPolarHBondContact O-CG2 3.47Å; L597-V601 PolarHBondContact O-N 3.3Å |
| 598 | V | 91.9 | Very high | 92.6 | Very high | 14 Ų | 14 | 56.3 Ų | 56.3 | 9% | 0.085 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 175.2 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | T566 N591 L594 W595 A600 V601 V602 F621 | T566-V598 HydrophobicContact CG2-CG1 3.97Å; N591-V598 WeakPolarHBondContact OD1-CG2 3.31Å; L594-V598 PolarHBondContact O-N 2.66Å; W595-V598 HydrophobicContact CE3-CB 4.24Å; W595-V598 HydrophobicContact CE3-CG1 4.29Å; W595-V598 HydrophobicContact CZ3-CG1 4.12Å; W595-V598 PolarHBondContact O-N 3.3Å; V598-A600 VanDerWaalsContact C-N 3.32Å; V598-A600 PolarHBondContact O-N 3.12Å; V598-V601 PolarHBondContact O-N 3.15Å; V598-V602 WeakPolarHBondContact O-CG2 3.42Å; V598-V602 PolarHBondContact O-N 3.38Å; V598-F621 HydrophobicContact CG1-CD2 4.46Å |
| 599 | L | 94.5 | Very high | 92.8 | Very high | 52 Ų | 52 | 54.4 Ų | 54.4 | 27% | 0.272 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 173.9 | -75.1 | 179.6 | 0 | 0 | 0 | 112 | F559 L563 W595 L597 V601 V602 T603 | F559-L599 HydrophobicContact CZ-CD2 4.49Å; L563-L599 HydrophobicContact CD1-CD2 4.22Å; W595-L599 HydrophobicContact CD2-CG 4.33Å; W595-L599 HydrophobicContact CH2-CD2 4.47Å; W595-L599 HydrophobicContact CZ2-CD1 4.49Å; W595-L599 HydrophobicContact CZ2-CD2 3.82Å; W595-L599 HydrophobicContact CZ2-CG 4.1Å; W595-L599 PolarHBondContact O-N 3.03Å; L597-L599 VanDerWaalsContact C-N 3.33Å; L597-L599 PolarHBondContact O-N 3.1Å; L599-V601 VanDerWaalsContact C-N 3.34Å; L599-V601 PolarHBondContact O-N 3.14Å; L599-V602 PolarHBondContact O-N 3.26Å; L599-T603 VanDerWaalsContact O-CG2 3.31Å; L599-T603 WeakPolarHBondContact O-CG2 3.19Å; L599-T603 PolarHBondContact O-N 2.92Å; L599-T603 PolarHBondContact O-OG1 3.2Å; L599-T603 VanDerWaalsContact O-OG1 3.08Å |
| 600 | A | 93.7 | Very high | 92.9 | Very high | 47 Ų | 47 | 51.5 Ų | 51.5 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P596 L597 V598 T603 L604 | P596-A600 WeakPolarHBondContact O-CB 3.24Å; P596-A600 PolarHBondContact O-N 3.23Å; L597-A600 WeakPolarHBondContact O-CB 3.36Å; L597-A600 PolarHBondContact O-N 3.2Å; L597-A600 VanDerWaalsContact O-N 3.13Å; V598-A600 VanDerWaalsContact C-N 3.32Å; V598-A600 PolarHBondContact O-N 3.12Å; A600-T603 WeakPolarHBondContact CA-OG1 3.29Å; A600-T603 PolarHBondContact O-OG1 3.4Å; A600-L604 WeakPolarHBondContact O-CB 3.3Å; A600-L604 PolarHBondContact O-N 3.22Å |
| 601 | V | 93.4 | Very high | 93 | Very high | 31 Ų | 31 | 47.3 Ų | 47.3 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 173.7 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | L597 V598 L599 L604 S605 L612 F621 V623 | L597-V601 WeakPolarHBondContact O-CG2 3.47Å; L597-V601 PolarHBondContact O-N 3.3Å; V598-V601 PolarHBondContact O-N 3.15Å; L599-V601 VanDerWaalsContact C-N 3.34Å; L599-V601 PolarHBondContact O-N 3.14Å; V601-L604 PolarHBondContact O-N 2.82Å; V601-S605 VanDerWaalsContact O-CB 3.26Å; V601-S605 WeakPolarHBondContact O-CB 3.4Å; V601-S605 PolarHBondContact O-N 2.93Å; V601-L612 HydrophobicContact CG1-CD1 3.84Å; V601-F621 HydrophobicContact CG1-CB 4.39Å; V601-V623 HydrophobicContact CB-CG2 4.49Å; V601-V623 HydrophobicContact CG1-CG2 3.77Å |
| 602 | V | 95.3 | Very high | 93 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 178.5 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | F559 K562 V598 L599 A606 L612 | F559-V602 HydrophobicContact CD2-CG1 3.78Å; F559-V602 HydrophobicContact CE2-CG1 3.81Å; K562-V602 HydrophobicContact CB-CG1 3.87Å; V598-V602 WeakPolarHBondContact O-CG2 3.42Å; V598-V602 PolarHBondContact O-N 3.38Å; L599-V602 PolarHBondContact O-N 3.26Å; V602-A606 WeakPolarHBondContact O-CB 3.49Å; V602-A606 PolarHBondContact O-N 2.88Å; V602-L612 HydrophobicContact CG2-CD2 4.19Å |
| 603 | T | 94.9 | Very high | 92.9 | Very high | 57 Ų | 57 | 43.9 Ų | 43.9 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.4 | -43.9 | 176.9 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | F559 L599 A600 S605 A606 L607 | F559-T603 HydrophobicContact CD2-CG2 3.88Å; F559-T603 HydrophobicContact CE2-CG2 3.56Å; L599-T603 VanDerWaalsContact O-CG2 3.31Å; L599-T603 WeakPolarHBondContact O-CG2 3.19Å; L599-T603 PolarHBondContact O-N 2.92Å; L599-T603 PolarHBondContact O-OG1 3.2Å; L599-T603 VanDerWaalsContact O-OG1 3.08Å; A600-T603 WeakPolarHBondContact CA-OG1 3.29Å; A600-T603 PolarHBondContact O-OG1 3.4Å; T603-S605 VanDerWaalsContact C-N 3.35Å; T603-S605 PolarHBondContact O-N 3.39Å; T603-A606 PolarHBondContact O-N 3.34Å; T603-L607 WeakPolarHBondContact O-CB 3.33Å; T603-L607 VanDerWaalsContact O-CG 3.29Å; T603-L607 WeakPolarHBondContact O-CG 3.49Å; T603-L607 PolarHBondContact O-N 2.87Å |
| 604 | L | 92.9 | Very high | 92.6 | Very high | 78 Ų | 78 | 40 Ų | 40 | 41% | 0.408 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 176.3 | -178.4 | 61.2 | 0 | 0 | 0 | 111.3 | A600 V601 A606 L607 L608 V623 | A600-L604 WeakPolarHBondContact O-CB 3.3Å; A600-L604 PolarHBondContact O-N 3.22Å; V601-L604 PolarHBondContact O-N 2.82Å; L604-A606 VanDerWaalsContact C-N 3.34Å; L604-A606 PolarHBondContact O-N 3.49Å; L604-L607 PolarHBondContact O-N 2.94Å; L604-L608 HydrophobicContact CD1-CD1 3.91Å; L604-L608 HydrophobicContact CD1-CG 4.18Å; L604-L608 HydrophobicContact CG-CD1 4.07Å; L604-L608 WeakPolarHBondContact O-CB 3.26Å; L604-L608 WeakPolarHBondContact O-CG 3.17Å; L604-L608 PolarHBondContact O-N 3.35Å; L604-V623 HydrophobicContact CB-CG2 4.38Å; L604-V623 HydrophobicContact CD2-CG2 4.15Å; L604-V623 HydrophobicContact CG-CG2 4.32Å |
| 605 | S | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -41.6 | 175.5 | -179 | 0 | 0 | 0 | 0 | 112 | K562 V601 T603 S609 A610 P611 | K562-S605 WeakPolarHBondContact CE-OG 3.39Å; V601-S605 VanDerWaalsContact O-CB 3.26Å; V601-S605 WeakPolarHBondContact O-CB 3.4Å; V601-S605 PolarHBondContact O-N 2.93Å; T603-S605 VanDerWaalsContact C-N 3.35Å; T603-S605 PolarHBondContact O-N 3.39Å; S605-S609 PolarHBondContact O-N 3.03Å; S605-A610 PolarHBondContact O-N 2.86Å; S605-A610 PolarHBondContact OG-O 3.19Å; S605-P611 PolarHBondContact OG-O 3.28Å |
| 606 | A | 94.7 | Very high | 91.2 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.8 | -46.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | R555 Q558 F559 K562 V602 T603 L604 L608 S609 | R555-A606 WeakPolarHBondContact CD-O 3.09Å; Q558-A606 HydrophobicContact CB-CB 4.4Å; F559-A606 HydrophobicContact CB-CB 3.95Å; K562-A606 HydrophobicContact CD-CB 4.21Å; V602-A606 WeakPolarHBondContact O-CB 3.49Å; V602-A606 PolarHBondContact O-N 2.88Å; T603-A606 PolarHBondContact O-N 3.34Å; L604-A606 VanDerWaalsContact C-N 3.34Å; L604-A606 PolarHBondContact O-N 3.49Å; A606-L608 VanDerWaalsContact C-N 3.33Å; A606-L608 PolarHBondContact O-N 3.43Å; A606-S609 PolarHBondContact O-N 2.96Å |
| 607 | L | 92.5 | Very high | 90.3 | Very high | 117 Ų | 117 | 30.9 Ų | 30.9 | 61% | 0.613 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -59.5 | -42.8 | 179.5 | -74 | 172.4 | 0 | 0 | 0 | 112.1 | R555 T603 L604 S609 | R555-L607 PolarHBondContact NE-O 3.31Å; T603-L607 WeakPolarHBondContact O-CB 3.33Å; T603-L607 VanDerWaalsContact O-CG 3.29Å; T603-L607 WeakPolarHBondContact O-CG 3.49Å; T603-L607 PolarHBondContact O-N 2.87Å; L604-L607 PolarHBondContact O-N 2.94Å; L607-S609 PolarHBondContact O-N 3.09Å |
| 608 | L | 91 | Very high | 89.7 | Confident | 55 Ų | 55 | 26.9 Ų | 26.9 | 29% | 0.288 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -2.9 | 177.7 | -65.1 | 178.4 | 0 | 0 | 0 | 113.4 | V264 W274 L604 A606 A610 V623 P626 | V264-L608 HydrophobicContact CG1-CD1 4.14Å; W274-L608 VanDerWaalsContact CZ2-O 3.26Å; W274-L608 WeakPolarHBondContact CZ2-O 3.37Å; L604-L608 HydrophobicContact CD1-CD1 3.91Å; L604-L608 HydrophobicContact CD1-CG 4.18Å; L604-L608 HydrophobicContact CG-CD1 4.07Å; L604-L608 WeakPolarHBondContact O-CB 3.26Å; L604-L608 WeakPolarHBondContact O-CG 3.17Å; L604-L608 PolarHBondContact O-N 3.35Å; A606-L608 VanDerWaalsContact C-N 3.33Å; A606-L608 PolarHBondContact O-N 3.43Å; L608-A610 HydrophobicContact CB-CB 4.11Å; L608-A610 PolarHBondContact O-N 2.5Å; L608-A610 VanDerWaalsContact O-N 3.11Å; L608-V623 HydrophobicContact CD1-CG1 4.38Å; L608-P626 HydrophobicContact CB-CG 4.06Å |
| 609 | S | 91.2 | Very high | 89.5 | Confident | 6 Ų | 6 | 26.4 Ų | 26.4 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 26.2 | -171.2 | -166.5 | 0 | 0 | 0 | 0 | 113.5 | Q558 S605 A606 L607 R1156 | Q558-S609 PolarHBondContact NE2-OG 3.05Å; Q558-S609 PolarHBondContact OE1-OG 3.05Å; S605-S609 PolarHBondContact O-N 3.03Å; A606-S609 PolarHBondContact O-N 2.96Å; L607-S609 PolarHBondContact O-N 3.09Å; S609-R1156 PolarHBondContact O-NH2 2.82Å |
| 610 | A | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -84.2 | 156.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K562 S605 L608 V623 G624 P626 | K562-A610 WeakPolarHBondContact CE-O 3.41Å; K562-A610 PolarHBondContact NZ-O 3.23Å; K562-A610 VanDerWaalsContact NZ-O 3.16Å; S605-A610 PolarHBondContact O-N 2.86Å; S605-A610 PolarHBondContact OG-O 3.19Å; L608-A610 HydrophobicContact CB-CB 4.11Å; L608-A610 PolarHBondContact O-N 2.5Å; L608-A610 VanDerWaalsContact O-N 3.11Å; A610-V623 HydrophobicContact CB-CG1 4.01Å; A610-G624 WeakPolarHBondContact CB-O 3.29Å; A610-P626 HydrophobicContact CB-CG 4.31Å |
| 611 | P | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 149.6 | 168.8 | 30.3 | -32.6 | 0 | 0 | 0 | 111.1 | S605 G624 F625 R1156 A1160 | S605-P611 PolarHBondContact OG-O 3.28Å; P611-G624 PolarHBondContact O-N 2.82Å; P611-F625 VanDerWaalsContact CD-O 3.23Å; P611-F625 WeakPolarHBondContact CD-O 3.43Å; P611-R1156 HydrophobicContact CB-CB 4.15Å; P611-A1160 HydrophobicContact CB-CB 4.01Å; P611-A1160 HydrophobicContact CG-CB 3.85Å |
| 612 | L | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 117.7 | 169.8 | -170.8 | 70.6 | 0 | 0 | 0 | 108.9 | K562 F565 T566 V601 V602 P614 F621 G1157 | K562-L612 HydrophobicContact CG-CB 4.48Å; F565-L612 HydrophobicContact CD1-CD2 4.13Å; T566-L612 WeakPolarHBondContact OG1-CD2 3.38Å; V601-L612 HydrophobicContact CG1-CD1 3.84Å; V602-L612 HydrophobicContact CG2-CD2 4.19Å; L612-P614 VanDerWaalsContact O-CD 3.29Å; L612-P614 WeakPolarHBondContact O-CD 3.19Å; L612-F621 HydrophobicContact CD1-CB 3.99Å; L612-F621 HydrophobicContact CD2-CB 4.42Å; L612-F621 HydrophobicContact CD2-CD1 3.77Å; L612-F621 HydrophobicContact CD2-CE1 4.39Å; L612-F621 HydrophobicContact CD2-CG 4.28Å; L612-F621 HydrophobicContact CG-CB 4.22Å; L612-F621 HydrophobicContact CG-CD1 4.04Å; L612-F621 HydrophobicContact CG-CG 4.49Å; L612-G1157 WeakPolarHBondContact O-CA 3.4Å |
| 613 | L | 87.9 | Confident | 88.7 | Confident | 13 Ų | 13 | 26.3 Ų | 26.3 | 7% | 0.068 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 112 | -174.3 | -171.8 | 152.8 | 0 | 0 | 0 | 110.2 | L615 F621 L622 A1160 N1161 W1164 | L613-L615 HydrophobicContact CD2-CB 4.43Å; L613-L615 HydrophobicContact CD2-CD2 3.59Å; L613-L615 HydrophobicContact CD2-CG 3.78Å; L613-L615 PolarHBondContact O-N 3.4Å; L613-F621 WeakPolarHBondContact O-CA 3.4Å; L613-L622 HydrophobicContact CB-CB 4.47Å; L613-L622 PolarHBondContact N-O 3.35Å; L613-L622 PolarHBondContact O-N 3.46Å; L613-A1160 HydrophobicContact CD1-CB 4.25Å; L613-N1161 HydrophobicContact CD2-CB 4.46Å; L613-N1161 HydrophobicContact CG-CB 4.09Å; L613-W1164 HydrophobicContact CD1-CB 4.11Å; L613-W1164 HydrophobicContact CD1-CG 4.48Å |
| 614 | P | 86.8 | Confident | 88.5 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 104.5 | 170.4 | 35.2 | -35.7 | 0 | 0 | 0 | 109.9 | F565 L612 F616 T617 F621 N1161 | F565-P614 HydrophobicContact CE1-CG 4.36Å; F565-P614 HydrophobicContact CZ-CB 4.48Å; F565-P614 HydrophobicContact CZ-CG 3.9Å; L612-P614 VanDerWaalsContact O-CD 3.29Å; L612-P614 WeakPolarHBondContact O-CD 3.19Å; P614-F616 PolarHBondContact O-N 3.31Å; P614-F616 VanDerWaalsContact O-N 3.1Å; P614-T617 PolarHBondContact O-N 3.31Å; P614-F621 HydrophobicContact CB-CD1 4.4Å; P614-F621 HydrophobicContact CB-CE1 4.33Å; P614-N1161 PolarHBondContact O-OD1 3.21Å |
| 615 | L | 80.4 | Confident | 88.4 | Confident | 32 Ų | 32 | 20.7 Ų | 20.7 | 17% | 0.168 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -58.7 | 117.5 | -175 | -81.1 | 170.6 | 0 | 0 | 0 | 111.3 | L613 T617 L618 V620 L622 W1164 | L613-L615 HydrophobicContact CD2-CB 4.43Å; L613-L615 HydrophobicContact CD2-CD2 3.59Å; L613-L615 HydrophobicContact CD2-CG 3.78Å; L613-L615 PolarHBondContact O-N 3.4Å; L615-T617 PolarHBondContact O-N 3.44Å; L615-L618 VanDerWaalsContact O-CB 3.31Å; L615-L618 WeakPolarHBondContact O-CB 3.45Å; L615-L618 PolarHBondContact O-N 2.85Å; L615-V620 HydrophobicContact CB-CB 4.48Å; L615-V620 HydrophobicContact CD1-CG1 3.95Å; L615-V620 PolarHBondContact N-O 2.91Å; L615-L622 HydrophobicContact CD1-CD1 3.63Å; L615-L622 HydrophobicContact CD1-CG 3.83Å; L615-L622 HydrophobicContact CD2-CD1 4.04Å; L615-L622 HydrophobicContact CG-CD1 3.94Å; L615-L622 HydrophobicContact CG-CG 4.14Å; L615-W1164 HydrophobicContact CD2-CH2 4.43Å; L615-W1164 HydrophobicContact CD2-CZ3 4.41Å |
| 616 | F | 74.4 | Confident | 88.4 | Confident | 20 Ų | 20 | 21 Ų | 21 | 9% | 0.088 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | 51.3 | 29.8 | -177 | -52.4 | -69 | 0 | 0 | 0 | 113.5 | L10 L11 P614 L618 N1161 W1164 E1165 | L10-F616 HydrophobicContact CD2-CB 3.72Å; L10-F616 HydrophobicContact CD2-CD2 3.85Å; L10-F616 HydrophobicContact CD2-CG 3.91Å; L11-F616 HydrophobicContact CD1-CZ 4.47Å; L11-F616 HydrophobicContact CD2-CE1 4.22Å; L11-F616 HydrophobicContact CD2-CZ 4Å; L11-F616 HydrophobicContact CG-CZ 4.14Å; P614-F616 PolarHBondContact O-N 3.31Å; P614-F616 VanDerWaalsContact O-N 3.1Å; F616-L618 PolarHBondContact O-N 3.44Å; F616-L618 VanDerWaalsContact O-N 3.16Å; F616-N1161 PolarHBondContact N-OD1 3.1Å; F616-W1164 AromaticContact CE1-CZ3 3.93Å; F616-W1164 HydrophobicContact CE1-CZ3 3.93Å; F616-W1164 HydrophobicContact CE2-CZ3 4.24Å; F616-W1164 HydrophobicContact CZ-CH2 4.06Å; F616-W1164 AromaticContact CZ-CZ3 3.58Å; F616-W1164 HydrophobicContact CZ-CZ3 3.58Å; F616-E1165 HydrophobicContact CD1-CG 4.22Å; F616-E1165 WeakPolarHBondContact CD1-OE1 3.4Å; F616-E1165 HydrophobicContact CE1-CG 4.2Å |
| 617 | T | 75.4 | Confident | 88.2 | Confident | 15 Ų | 15 | 21.1 Ų | 21.1 | 9% | 0.092 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | 60.9 | 14.2 | -173.5 | 65 | 0 | 0 | 0 | 0 | 116 | P614 L615 R1187 | P614-T617 PolarHBondContact O-N 3.31Å; L615-T617 PolarHBondContact O-N 3.44Å; T617-R1187 HydrophobicContact CG2-CG 4.49Å; T617-R1187 VanDerWaalsContact CG2-NE 3.3Å |
| 618 | L | 80.4 | Confident | 88.1 | Confident | 19 Ų | 19 | 16 Ų | 16 | 10% | 0.099 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -75.3 | 159.6 | 169.7 | -67.4 | 178.4 | 0 | 0 | 0 | 111 | L10 L587 L615 F616 V620 | L10-L618 HydrophobicContact CD1-CD1 3.73Å; L10-L618 HydrophobicContact CD2-CD1 3.77Å; L10-L618 HydrophobicContact CD2-CG 4.4Å; L10-L618 HydrophobicContact CG-CD1 4.3Å; L587-L618 HydrophobicContact CD1-CD2 4.41Å; L615-L618 VanDerWaalsContact O-CB 3.31Å; L615-L618 WeakPolarHBondContact O-CB 3.45Å; L615-L618 PolarHBondContact O-N 2.85Å; F616-L618 PolarHBondContact O-N 3.44Å; F616-L618 VanDerWaalsContact O-N 3.16Å; L618-V620 HydrophobicContact CB-CG2 4.35Å; L618-V620 PolarHBondContact O-N 2.91Å |
| 619 | P | 86.4 | Confident | 87.9 | Confident | 3 Ų | 3 | 15.7 Ų | 15.7 | 2% | 0.019 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -72.3 | 53.6 | 170.4 | 32.8 | -37 | 0 | 0 | 0 | 111.2 | V569 L570 L587 N591 F621 | V569-P619 HydrophobicContact CG1-CB 4.36Å; L570-P619 HydrophobicContact CD2-CB 3.66Å; L570-P619 HydrophobicContact CG-CB 4.43Å; L587-P619 HydrophobicContact CB-CG 4.1Å; L587-P619 HydrophobicContact CD1-CG 4.29Å; N591-P619 PolarHBondContact ND2-O 3.5Å; N591-P619 PolarHBondContact OD1-O 3.31Å; P619-F621 HydrophobicContact CB-CE2 4.39Å |
| 620 | V | 87.1 | Confident | 87.6 | Confident | 52 Ų | 52 | 16.5 Ų | 16.5 | 32% | 0.315 | 9% | 0.087 | S | C | . | . | trans | -129.1 | 113.9 | 172.9 | -176.9 | 0 | 0 | 0 | 0 | 106.5 | L587 L615 L618 | L587-V620 HydrophobicContact CD2-CG2 4.1Å; L615-V620 HydrophobicContact CB-CB 4.48Å; L615-V620 HydrophobicContact CD1-CG1 3.95Å; L615-V620 PolarHBondContact N-O 2.91Å; L618-V620 HydrophobicContact CB-CG2 4.35Å; L618-V620 PolarHBondContact O-N 2.91Å | ||
| 621 | F | 90.9 | Very high | 86.8 | Confident | 16 Ų | 16 | 16.8 Ų | 16.8 | 7% | 0.07 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.2 | -168.9 | -55.4 | -81.6 | 0 | 0 | 0 | 111.1 | T566 V569 L570 V598 V601 L612 L613 P614 P619 | T566-F621 HydrophobicContact CG2-CD2 4.02Å; T566-F621 HydrophobicContact CG2-CE1 4.27Å; T566-F621 HydrophobicContact CG2-CE2 3.56Å; T566-F621 HydrophobicContact CG2-CZ 3.7Å; V569-F621 HydrophobicContact CB-CE1 4.18Å; V569-F621 HydrophobicContact CB-CZ 3.96Å; V569-F621 HydrophobicContact CG1-CE1 4.15Å; V569-F621 HydrophobicContact CG1-CZ 3.87Å; V569-F621 HydrophobicContact CG2-CE1 4.48Å; L570-F621 HydrophobicContact CG-CE2 4.41Å; V598-F621 HydrophobicContact CG1-CD2 4.46Å; V601-F621 HydrophobicContact CG1-CB 4.39Å; L612-F621 HydrophobicContact CD1-CB 3.99Å; L612-F621 HydrophobicContact CD2-CB 4.42Å; L612-F621 HydrophobicContact CD2-CD1 3.77Å; L612-F621 HydrophobicContact CD2-CE1 4.39Å; L612-F621 HydrophobicContact CD2-CG 4.28Å; L612-F621 HydrophobicContact CG-CB 4.22Å; L612-F621 HydrophobicContact CG-CD1 4.04Å; L612-F621 HydrophobicContact CG-CG 4.49Å; L613-F621 WeakPolarHBondContact O-CA 3.4Å; P614-F621 HydrophobicContact CB-CD1 4.4Å; P614-F621 HydrophobicContact CB-CE1 4.33Å; P619-F621 HydrophobicContact CB-CE2 4.39Å |
| 622 | L | 90.1 | Very high | 86.1 | Confident | 52 Ų | 52 | 17.7 Ų | 17.7 | 27% | 0.272 | 9% | 0.092 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 154 | 169.9 | -64.7 | -175.5 | 0 | 0 | 0 | 110.5 | L262 L613 L615 G624 | L262-L622 HydrophobicContact CD2-CD2 4.4Å; L613-L622 HydrophobicContact CB-CB 4.47Å; L613-L622 PolarHBondContact N-O 3.35Å; L613-L622 PolarHBondContact O-N 3.46Å; L615-L622 HydrophobicContact CD1-CD1 3.63Å; L615-L622 HydrophobicContact CD1-CG 3.83Å; L615-L622 HydrophobicContact CD2-CD1 4.04Å; L615-L622 HydrophobicContact CG-CD1 3.94Å; L615-L622 HydrophobicContact CG-CG 4.14Å; L622-G624 PolarHBondContact O-N 2.71Å |
| 623 | V | 92.6 | Very high | 84.8 | Confident | 9 Ų | 9 | 19.3 Ų | 19.3 | 6% | 0.055 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 114.5 | 170.5 | -174.4 | 0 | 0 | 0 | 0 | 107.6 | V264 V601 L604 L608 A610 | V264-V623 HydrophobicContact CG1-CG1 4.25Å; V264-V623 HydrophobicContact CG2-CB 4.26Å; V601-V623 HydrophobicContact CB-CG2 4.49Å; V601-V623 HydrophobicContact CG1-CG2 3.77Å; L604-V623 HydrophobicContact CB-CG2 4.38Å; L604-V623 HydrophobicContact CD2-CG2 4.15Å; L604-V623 HydrophobicContact CG-CG2 4.32Å; L608-V623 HydrophobicContact CD1-CG1 4.38Å; A610-V623 HydrophobicContact CB-CG1 4.01Å |
| 624 | G | 90.7 | Very high | 83.8 | Confident | 6 Ų | 6 | 20.3 Ų | 20.3 | 6% | 0.062 | 12% | 0.116 | C | C | . | . | trans | -71.6 | 174.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A610 P611 L622 | A610-G624 WeakPolarHBondContact CB-O 3.29Å; P611-G624 PolarHBondContact O-N 2.82Å; L622-G624 PolarHBondContact O-N 2.71Å | ||
| 625 | F | 92.1 | Very high | 83 | Confident | 12 Ų | 12 | 24.7 Ų | 24.7 | 5% | 0.053 | 14% | 0.144 | C | C | . | . | trans | -81 | 146.1 | 179.3 | 63.1 | -88.3 | 0 | 0 | 0 | 112.9 | A204 T205 F206 G263 P266 A270 P611 R627 | A204-F625 HydrophobicContact CB-CB 4.19Å; A204-F625 HydrophobicContact CB-CD1 3.49Å; A204-F625 VanDerWaalsContact CB-CD1 3.49Å; A204-F625 HydrophobicContact CB-CE1 4.05Å; A204-F625 HydrophobicContact CB-CG 3.96Å; T205-F625 WeakPolarHBondContact O-CZ 3.39Å; F206-F625 HydrophobicContact CB-CE2 4.14Å; F206-F625 HydrophobicContact CB-CZ 4.24Å; F206-F625 HydrophobicContact CD2-CE2 4.13Å; F206-F625 HydrophobicContact CD2-CZ 4.43Å; G263-F625 WeakPolarHBondContact O-CB 3.42Å; G263-F625 PolarHBondContact O-N 3.1Å; P266-F625 HydrophobicContact CB-CB 3.96Å; P266-F625 HydrophobicContact CB-CD2 3.93Å; P266-F625 HydrophobicContact CB-CG 4.36Å; A270-F625 HydrophobicContact CB-CD2 4.31Å; A270-F625 HydrophobicContact CB-CE2 4.07Å; P611-F625 VanDerWaalsContact CD-O 3.23Å; P611-F625 WeakPolarHBondContact CD-O 3.43Å; F625-R627 HydrophobicContact CD2-CB 4.18Å; F625-R627 HydrophobicContact CE2-CB 3.95Å; F625-R627 PolarHBondContact O-N 2.71Å | ||
| 626 | P | 93.1 | Very high | 82.7 | Confident | 5 Ų | 5 | 23.9 Ų | 23.9 | 3% | 0.032 | 14% | 0.141 | C | C | . | . | trans | -58.4 | 132.3 | 170.2 | -23.4 | 34.4 | 0 | 0 | 0 | 112.4 | V264 P266 W274 L608 A610 | V264-P626 WeakPolarHBondContact O-CD 3.32Å; P266-P626 WeakPolarHBondContact CB-O 3.43Å; P266-P626 HydrophobicContact CG-CG 4.46Å; W274-P626 HydrophobicContact CD2-CB 3.7Å; W274-P626 HydrophobicContact CE3-CB 4.17Å; W274-P626 HydrophobicContact CG-CB 4.02Å; W274-P626 HydrophobicContact CH2-CB 4.48Å; W274-P626 HydrophobicContact CZ2-CB 4.05Å; L608-P626 HydrophobicContact CB-CG 4.06Å; A610-P626 HydrophobicContact CB-CG 4.31Å | ||
| 627 | R | 91.3 | Very high | 82.4 | Confident | 8 Ų | 8 | 24.3 Ų | 24.3 | 3% | 0.03 | 15% | 0.151 | C | C | . | . | trans | -153.1 | 157.7 | -178.4 | 65 | -171.2 | -178.8 | -157 | 3.8 | 110.9 | F206 F625 R1156 | F206-R627 HydrophobicContact CD2-CB 4.42Å; F206-R627 HydrophobicContact CE2-CB 4.24Å; F625-R627 HydrophobicContact CD2-CB 4.18Å; F625-R627 HydrophobicContact CE2-CB 3.95Å; F625-R627 PolarHBondContact O-N 2.71Å; R627-R1156 PolarHBondContact NH2-O 2.98Å | ||
| 628 | P | 90.3 | Very high | 82.4 | Confident | 8 Ų | 8 | 26.2 Ų | 26.2 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | trans | -53.8 | 151.5 | 178.3 | -25 | 34 | 0 | 0 | 0 | 112.7 | L273 E277 R630 S631 | L273-P628 HydrophobicContact CB-CG 3.47Å; L273-P628 VanDerWaalsContact CB-CG 3.47Å; E277-P628 WeakPolarHBondContact OE1-CA 3.41Å; P628-R630 PolarHBondContact O-N 3.26Å; P628-R630 VanDerWaalsContact O-N 3.16Å; P628-S631 WeakPolarHBondContact O-CA 3.31Å; P628-S631 PolarHBondContact O-N 3.17Å | ||
| 629 | Q | 87.6 | Confident | 82.5 | Confident | 50 Ų | 50 | 26.9 Ų | 26.9 | 23% | 0.234 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -28.4 | -179.3 | -73.4 | -169.8 | 2 | 0 | 0 | 113.8 | E277 P288 S631 P673 | E277-Q629 PolarHBondContact OE1-N 3.47Å; E277-Q629 PolarHBondContact OE2-N 2.99Å; P288-Q629 HydrophobicContact CG-CG 4.47Å; Q629-S631 PolarHBondContact O-N 3.18Å; Q629-S631 VanDerWaalsContact O-N 3.15Å; Q629-P673 PolarHBondContact OE1-O 3.32Å |
| 630 | R | 83.6 | Confident | 82.1 | Confident | 23 Ų | 23 | 29.6 Ų | 29.6 | 9% | 0.087 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.8 | 174.2 | -162.1 | -179.9 | 81.5 | 166.7 | -1.1 | 113.4 | S290 P628 W632 P633 G634 V636 L691 | S290-R630 PolarHBondContact O-NH1 3.14Å; P628-R630 PolarHBondContact O-N 3.26Å; P628-R630 VanDerWaalsContact O-N 3.16Å; R630-W632 PolarHBondContact NE-O 3.15Å; R630-W632 PolarHBondContact NH2-O 3.39Å; R630-W632 PolarHBondContact O-N 3.43Å; R630-P633 VanDerWaalsContact NH2-C 3.26Å; R630-P633 PolarHBondContact NH2-O 3.22Å; R630-G634 PolarHBondContact NH1-O 2.9Å; R630-G634 PolarHBondContact NH2-O 3.39Å; R630-V636 HydrophobicContact CG-CG2 4.27Å; R630-L691 HydrophobicContact CG-CD2 4.19Å |
| 631 | S | 76.9 | Confident | 81.7 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | trans | 58.2 | -20.8 | -175.6 | 55.8 | 0 | 0 | 0 | 0 | 117.6 | F206 P628 Q629 W1159 | F206-S631 VanDerWaalsContact CE2-O 3.23Å; F206-S631 WeakPolarHBondContact CE2-O 3.44Å; P628-S631 WeakPolarHBondContact O-CA 3.31Å; P628-S631 PolarHBondContact O-N 3.17Å; Q629-S631 PolarHBondContact O-N 3.18Å; Q629-S631 VanDerWaalsContact O-N 3.15Å; S631-W1159 VanDerWaalsContact OG-CE3 3.24Å; S631-W1159 VanDerWaalsContact OG-CZ3 3.26Å; S631-W1159 WeakPolarHBondContact OG-CZ3 3.24Å | ||
| 632 | W | 76.9 | Confident | 81.2 | Confident | 19 Ų | 19 | 32.1 Ų | 32.1 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | trans | -112.4 | 139.7 | -171.5 | -48.9 | 118.6 | 0 | 0 | 0 | 112.6 | R630 W1159 A1194 D1195 L1198 | R630-W632 PolarHBondContact NE-O 3.15Å; R630-W632 PolarHBondContact NH2-O 3.39Å; R630-W632 PolarHBondContact O-N 3.43Å; W632-W1159 AromaticContact CE2-CE3 3.94Å; W632-W1159 HydrophobicContact CH2-CB 3.92Å; W632-W1159 AromaticContact CH2-CD2 4Å; W632-W1159 HydrophobicContact CH2-CD2 4Å; W632-W1159 HydrophobicContact CH2-CE3 4.22Å; W632-W1159 AromaticContact CH2-CG 3.88Å; W632-W1159 HydrophobicContact CH2-CG 3.88Å; W632-W1159 HydrophobicContact CZ2-CB 4.28Å; W632-W1159 AromaticContact CZ2-CD2 3.43Å; W632-W1159 HydrophobicContact CZ2-CD2 3.43Å; W632-W1159 VanDerWaalsContact CZ2-CD2 3.43Å; W632-W1159 AromaticContact CZ2-CE2 3.85Å; W632-W1159 AromaticContact CZ2-CE3 3.45Å; W632-W1159 HydrophobicContact CZ2-CE3 3.45Å; W632-W1159 VanDerWaalsContact CZ2-CE3 3.45Å; W632-W1159 AromaticContact CZ2-CG 3.82Å; W632-W1159 HydrophobicContact CZ2-CG 3.82Å; W632-W1159 HydrophobicContact CZ2-CH2 4.29Å; W632-W1159 HydrophobicContact CZ2-CZ2 4.27Å; W632-W1159 AromaticContact CZ2-CZ3 3.9Å; W632-W1159 HydrophobicContact CZ2-CZ3 3.9Å; W632-W1159 AromaticContact NE1-CH2 3.98Å; W632-W1159 AromaticContact NE1-CZ3 3.66Å; W632-A1194 HydrophobicContact CH2-CB 3.6Å; W632-A1194 HydrophobicContact CZ2-CB 3.42Å; W632-A1194 VanDerWaalsContact CZ2-CB 3.42Å; W632-D1195 HydrophobicContact CD2-CB 4.17Å; W632-D1195 HydrophobicContact CG-CB 4Å; W632-L1198 HydrophobicContact CE3-CD1 4.1Å; W632-L1198 HydrophobicContact CH2-CB 4.4Å; W632-L1198 HydrophobicContact CH2-CD1 3.93Å; W632-L1198 HydrophobicContact CZ3-CB 4.4Å; W632-L1198 HydrophobicContact CZ3-CD1 3.25Å; W632-L1198 HydrophobicContact CZ3-CG 4.4Å | ||
| 633 | P | 65.4 | Low | 80.7 | Confident | 35 Ų | 35 | 33.6 Ų | 33.6 | 23% | 0.227 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -75.8 | -35.3 | 176.2 | 29 | -34.6 | 0 | 0 | 0 | 113.2 | F206 Q207 R630 | F206-P633 HydrophobicContact CD1-CB 4.02Å; F206-P633 HydrophobicContact CE1-CB 3.62Å; F206-P633 HydrophobicContact CE1-CG 4.42Å; F206-P633 HydrophobicContact CZ-CB 4.11Å; F206-P633 WeakPolarHBondContact O-CG 3.46Å; Q207-P633 HydrophobicContact CG-CB 3.45Å; Q207-P633 VanDerWaalsContact CG-CB 3.45Å; Q207-P633 HydrophobicContact CG-CG 3.66Å; R630-P633 VanDerWaalsContact NH2-C 3.26Å; R630-P633 PolarHBondContact NH2-O 3.22Å |
| 634 | G | 67.3 | Low | 80.2 | Confident | 33 Ų | 33 | 34.5 Ų | 34.5 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -73.5 | 163.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R630 | R630-G634 PolarHBondContact NH1-O 2.9Å; R630-G634 PolarHBondContact NH2-O 3.39Å |
| 635 | P | 70.3 | Confident | 80.1 | Confident | 97 Ų | 97 | 35 Ų | 35 | 63% | 0.63 | 23% | 0.228 | S | C | * | . | P | Polyproline II helix | trans | -61.4 | 141.2 | 176 | 28.2 | -33.8 | 0 | 0 | 0 | 110.7 | ||
| 636 | V | 74.2 | Confident | 80 | Confident | 15 Ų | 15 | 34.9 Ų | 34.9 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 136.2 | 173.9 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | R630 L691 N701 P1207 | R630-V636 HydrophobicContact CG-CG2 4.27Å; V636-L691 HydrophobicContact CG1-CD1 4.17Å; V636-L691 HydrophobicContact CG2-CD1 4.13Å; V636-L691 HydrophobicContact CG2-CD2 4.39Å; V636-N701 HydrophobicContact CG1-CB 3.75Å; V636-N701 VanDerWaalsContact CG1-CG 3.45Å; V636-N701 WeakPolarHBondContact CG1-ND2 3.47Å; V636-P1207 HydrophobicContact CB-CG 3.96Å; V636-P1207 HydrophobicContact CG1-CG 4.24Å |
| 637 | G | 69.1 | Low | 79.9 | Confident | 29 Ų | 29 | 35 Ų | 35 | 30% | 0.299 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 117.2 | 1.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1204 S1205 | G637-S1204 WeakPolarHBondContact CA-OG 3.5Å; G637-S1205 WeakPolarHBondContact CA-O 3.45Å |
| 638 | T | 74.9 | Confident | 79.9 | Confident | 55 Ų | 55 | 34.7 Ų | 34.7 | 34% | 0.337 | 23% | 0.227 | S | C | . | . | trans | -74.9 | 128.9 | 173.9 | 48.9 | 0 | 0 | 0 | 0 | 110.8 | P1196 | T638-P1196 WeakPolarHBondContact O-CD 3.49Š| ||
| 639 | A | 81.1 | Confident | 80 | Confident | 32 Ų | 32 | 37.9 Ų | 37.9 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | trans | -145.2 | 165.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P641 P1201 | A639-P641 VanDerWaalsContact O-CD 3.23Å; A639-P641 WeakPolarHBondContact O-CD 3.11Å; A639-P1201 CarbonylContact C-O 3.34Å; A639-P1201 VanDerWaalsContact CA-O 3.31Å; A639-P1201 WeakPolarHBondContact CA-O 3.35Å; A639-P1201 VanDerWaalsContact CB-O 3.25Å; A639-P1201 WeakPolarHBondContact CB-O 3.28Å | ||
| 640 | C | 79.6 | Confident | 80.2 | Confident | 60 Ų | 60 | 36 Ų | 36 | 41% | 0.405 | 23% | 0.233 | S | C | . | . | trans | -103.6 | 83.5 | 171.9 | -60.5 | 0 | 0 | 0 | 0 | 108.4 | C642 P1201 I1202 | C640-C642 PolarHBondContact O-N 3.5Å; C640-P1201 PolarHBondContact N-O 3.43Å; C640-I1202 WeakPolarHBondContact O-CA 3.49Å | ||
| 641 | P | 78.1 | Confident | 80.5 | Confident | 90 Ų | 90 | 35.2 Ų | 35.2 | 58% | 0.584 | 23% | 0.23 | S | C | * | . | trans | -63.4 | 134.4 | -168.5 | 27.1 | -35.3 | 0 | 0 | 0 | 112 | A639 I1202 | A639-P641 VanDerWaalsContact O-CD 3.23Å; A639-P641 WeakPolarHBondContact O-CD 3.11Å; P641-I1202 WeakPolarHBondContact CA-O 3.43Å | ||
| 642 | C | 80.6 | Confident | 81.2 | Confident | 31 Ų | 31 | 35 Ų | 35 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | trans | -123.3 | 172.4 | 172.1 | 76 | 0 | 0 | 0 | 0 | 110.4 | C640 D644 S645 I1202 | C640-C642 PolarHBondContact O-N 3.5Å; C642-D644 PolarHBondContact O-N 2.91Å; C642-D644 VanDerWaalsContact O-N 3.1Å; C642-S645 WeakPolarHBondContact O-CB 3.41Å; C642-S645 PolarHBondContact O-N 3.31Å; C642-S645 PolarHBondContact O-OG 3.42Å; C642-I1202 HydrophobicContact CB-CG2 4.36Å | ||
| 643 | P | 78.4 | Confident | 81.6 | Confident | 83 Ų | 83 | 35.3 Ų | 35.3 | 54% | 0.539 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -30.2 | 178.8 | -27.6 | 36.1 | 0 | 0 | 0 | 114.3 | S645 | P643-S645 VanDerWaalsContact C-N 3.32Å; P643-S645 PolarHBondContact O-N 3Å |
| 644 | D | 83.7 | Confident | 82.7 | Confident | 29 Ų | 29 | 35.1 Ų | 35.1 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -9.1 | 179.4 | -72.4 | -30.1 | 0 | 0 | 0 | 113.9 | C642 V646 F647 L707 R1136 I1202 | C642-D644 PolarHBondContact O-N 2.91Å; C642-D644 VanDerWaalsContact O-N 3.1Å; D644-V646 PolarHBondContact O-N 2.88Å; D644-F647 HydrophobicContact CB-CD2 4.17Å; D644-F647 WeakPolarHBondContact O-CD2 3.34Å; D644-F647 PolarHBondContact O-N 2.97Å; D644-F647 WeakPolarHBondContact OD1-CE2 3.47Å; D644-L707 HydrophobicContact CB-CD1 4.27Å; D644-R1136 IonicContact OD1-NH1 3.41Å; D644-R1136 IonicContact OD1-NH2 2.7Å; D644-I1202 HydrophobicContact CB-CD1 4.41Å |
| 645 | S | 87.9 | Confident | 83.9 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 12% | 0.119 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -30.2 | 179.6 | 65.1 | 0 | 0 | 0 | 0 | 113.1 | C642 P643 F647 Y648 Q649 I1202 | C642-S645 WeakPolarHBondContact O-CB 3.41Å; C642-S645 PolarHBondContact O-N 3.31Å; C642-S645 PolarHBondContact O-OG 3.42Å; P643-S645 VanDerWaalsContact C-N 3.32Å; P643-S645 PolarHBondContact O-N 3Å; S645-F647 VanDerWaalsContact C-N 3.27Å; S645-F647 PolarHBondContact O-N 3.5Å; S645-Y648 PolarHBondContact O-N 3.3Å; S645-Y648 VanDerWaalsContact O-N 3.13Å; S645-Q649 PolarHBondContact O-N 3.45Å; S645-I1202 WeakPolarHBondContact CB-O 3.23Å |
| 646 | V | 90.3 | Very high | 84.8 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 5% | 0.048 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.3 | -36.6 | -179.8 | -170.9 | 0 | 0 | 0 | 0 | 112 | D644 Y648 Q649 Q650 H1111 V1114 L1115 | D644-V646 PolarHBondContact O-N 2.88Å; V646-Y648 VanDerWaalsContact C-N 3.34Å; V646-Q649 WeakPolarHBondContact O-CB 3.3Å; V646-Q649 PolarHBondContact O-N 2.94Å; V646-Q650 PolarHBondContact O-N 3.34Å; V646-H1111 HydrophobicContact CG2-CB 4.43Å; V646-H1111 WeakPolarHBondContact CG2-CD2 3.36Å; V646-V1114 HydrophobicContact CB-CG1 4.48Å; V646-V1114 HydrophobicContact CG1-CB 3.89Å; V646-V1114 HydrophobicContact CG1-CG1 3.7Å; V646-L1115 HydrophobicContact CG1-CD2 4Å; V646-L1115 HydrophobicContact CG1-CG 3.98Å |
| 647 | F | 89.9 | Confident | 85.4 | Confident | 7 Ų | 7 | 31.9 Ų | 31.9 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.8 | -36.3 | 179.2 | -59.1 | -62.3 | 0 | 0 | 0 | 111.8 | D644 S645 M651 R684 Y759 W1110 V1114 L1138 | D644-F647 HydrophobicContact CB-CD2 4.17Å; D644-F647 WeakPolarHBondContact O-CD2 3.34Å; D644-F647 PolarHBondContact O-N 2.97Å; D644-F647 WeakPolarHBondContact OD1-CE2 3.47Å; S645-F647 VanDerWaalsContact C-N 3.27Å; S645-F647 PolarHBondContact O-N 3.5Å; F647-M651 VanDerWaalsContact O-CB 3.26Å; F647-M651 WeakPolarHBondContact O-CB 3.43Å; F647-M651 PolarHBondContact O-N 3.3Å; F647-R684 VanDerWaalsContact CD2-NH1 3.29Å; F647-R684 VanDerWaalsContact CD2-NH2 3.34Å; F647-R684 VanDerWaalsContact CG-NH1 3.32Å; F647-Y759 HydrophobicContact CD1-CD2 4.28Å; F647-W1110 HydrophobicContact CZ-CZ2 4.43Å; F647-W1110 AromaticContact CZ-NE1 3.83Å; F647-V1114 HydrophobicContact CD1-CG1 3.76Å; F647-V1114 HydrophobicContact CD1-CG2 4.26Å; F647-V1114 HydrophobicContact CE1-CG1 4.06Å; F647-V1114 HydrophobicContact CE1-CG2 3.7Å; F647-L1138 HydrophobicContact CD1-CD1 4.36Å; F647-L1138 HydrophobicContact CE1-CD1 3.26Å; F647-L1138 HydrophobicContact CZ-CD1 3.49Å; F647-L1138 VanDerWaalsContact CZ-CD1 3.49Å |
| 648 | Y | 92.1 | Very high | 86.4 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.6 | -36.9 | 173 | -68.8 | -79.2 | 0 | 0 | 0 | 111.3 | S645 V646 M651 S652 R684 M685 V686 G704 L705 L707 I1202 | S645-Y648 PolarHBondContact O-N 3.3Å; S645-Y648 VanDerWaalsContact O-N 3.13Å; V646-Y648 VanDerWaalsContact C-N 3.34Å; Y648-M651 HydrophobicContact CD1-CE 3.42Å; Y648-M651 VanDerWaalsContact CD1-CE 3.42Å; Y648-M651 HydrophobicContact CE1-CE 3.87Å; Y648-M651 HydrophobicContact CG-CE 4.36Å; Y648-M651 PolarHBondContact O-N 3.16Å; Y648-S652 VanDerWaalsContact O-CB 3.28Å; Y648-S652 WeakPolarHBondContact O-CB 3.47Å; Y648-S652 PolarHBondContact O-N 3.42Å; Y648-R684 HydrophobicContact CE1-CB 4.28Å; Y648-M685 VanDerWaalsContact CE1-O 3.27Å; Y648-M685 WeakPolarHBondContact CE1-O 3.4Å; Y648-M685 PolarHBondContact OH-N 2.9Å; Y648-M685 PolarHBondContact OH-O 3.04Å; Y648-V686 HydrophobicContact CD1-CG2 4.12Å; Y648-V686 HydrophobicContact CE1-CG2 3.89Å; Y648-G704 VanDerWaalsContact CD1-CA 3.43Å; Y648-L705 PolarHBondContact OH-O 3.45Å; Y648-L707 HydrophobicContact CE2-CD1 4.15Å; Y648-I1202 HydrophobicContact CD2-CD1 3.86Å; Y648-I1202 HydrophobicContact CD2-CG1 4.4Å; Y648-I1202 HydrophobicContact CE2-CD1 3.47Å; Y648-I1202 VanDerWaalsContact CE2-CD1 3.47Å; Y648-I1202 HydrophobicContact CE2-CG1 4.24Å |
| 649 | Q | 91.3 | Very high | 87.2 | Confident | 75 Ų | 75 | 28.6 Ų | 28.6 | 35% | 0.35 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 172.7 | -171.8 | 179.9 | -2.6 | 0 | 0 | 111.6 | S645 V646 S652 L1115 Y1203 | S645-Q649 PolarHBondContact O-N 3.45Å; V646-Q649 WeakPolarHBondContact O-CB 3.3Å; V646-Q649 PolarHBondContact O-N 2.94Å; Q649-S652 PolarHBondContact O-N 3.01Å; Q649-S652 PolarHBondContact O-OG 3.22Å; Q649-L1115 HydrophobicContact CB-CD2 4.16Å; Q649-L1115 HydrophobicContact CG-CD2 3.87Å; Q649-Y1203 HydrophobicContact CB-CD2 4.26Å; Q649-Y1203 HydrophobicContact CB-CE2 3.69Å; Q649-Y1203 HydrophobicContact CG-CE2 4.06Å |
| 650 | Q | 92.2 | Very high | 87.5 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.2 | -52.1 | 175.7 | 178.5 | -83.4 | -43.7 | 0 | 0 | 111.5 | V646 S652 R757 Y759 V1114 L1115 E1117 | V646-Q650 PolarHBondContact O-N 3.34Å; Q650-S652 PolarHBondContact O-N 2.91Å; Q650-R757 PolarHBondContact NE2-O 2.8Å; Q650-Y759 HydrophobicContact CG-CE2 4.18Å; Q650-V1114 HydrophobicContact CB-CG1 4Å; Q650-V1114 HydrophobicContact CG-CG1 4.42Å; Q650-V1114 WeakPolarHBondContact CG-O 3.46Å; Q650-L1115 HydrophobicContact CB-CD2 4.45Å; Q650-E1117 HydrophobicContact CG-CG 4.04Å; Q650-E1117 PolarHBondContact NE2-OE1 2.92Å |
| 651 | M | 90.8 | Very high | 87.8 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -32.7 | -178.7 | 173.4 | 176.1 | 53.6 | 0 | 0 | 112.5 | F647 Y648 G653 S654 L655 V686 V756 V758 | F647-M651 VanDerWaalsContact O-CB 3.26Å; F647-M651 WeakPolarHBondContact O-CB 3.43Å; F647-M651 PolarHBondContact O-N 3.3Å; Y648-M651 HydrophobicContact CD1-CE 3.42Å; Y648-M651 VanDerWaalsContact CD1-CE 3.42Å; Y648-M651 HydrophobicContact CE1-CE 3.87Å; Y648-M651 HydrophobicContact CG-CE 4.36Å; Y648-M651 PolarHBondContact O-N 3.16Å; M651-G653 PolarHBondContact O-N 3.3Å; M651-G653 VanDerWaalsContact O-N 3.16Å; M651-S654 PolarHBondContact O-N 2.88Å; M651-S654 VanDerWaalsContact O-N 3.14Å; M651-L655 HydrophobicContact CG-CB 4.17Å; M651-L655 VanDerWaalsContact O-CB 3.27Å; M651-L655 WeakPolarHBondContact O-CB 3.49Å; M651-L655 PolarHBondContact O-N 2.9Å; M651-V686 HydrophobicContact CE-CG2 3.2Å; M651-V686 HydrophobicContact SD-CG2 4.05Å; M651-V756 HydrophobicContact CG-CG1 3.97Å; M651-V758 HydrophobicContact CB-CG1 4.07Å; M651-V758 HydrophobicContact CG-CG1 3.59Å; M651-V758 HydrophobicContact SD-CG1 3.61Å |
| 652 | S | 90.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.5 | -35.5 | -173.4 | 71 | 0 | 0 | 0 | 0 | 113.3 | Y648 Q649 Q650 A656 Y1203 | Y648-S652 VanDerWaalsContact O-CB 3.28Å; Y648-S652 WeakPolarHBondContact O-CB 3.47Å; Y648-S652 PolarHBondContact O-N 3.42Å; Q649-S652 PolarHBondContact O-N 3.01Å; Q649-S652 PolarHBondContact O-OG 3.22Å; Q650-S652 PolarHBondContact O-N 2.91Å; S652-A656 WeakPolarHBondContact O-CB 3.28Å; S652-A656 PolarHBondContact O-N 3.4Å; S652-Y1203 PolarHBondContact OG-OH 2.91Å; S652-Y1203 VanDerWaalsContact OG-OH 3.1Å |
| 653 | G | 86 | Confident | 88.6 | Confident | 26 Ų | 26 | 27.3 Ų | 27.3 | 27% | 0.268 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -67.6 | -49.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M651 A656 S657 | M651-G653 PolarHBondContact O-N 3.3Å; M651-G653 VanDerWaalsContact O-N 3.16Å; G653-A656 PolarHBondContact O-N 3.11Å; G653-S657 PolarHBondContact O-N 3.31Å |
| 654 | S | 89.2 | Confident | 88.8 | Confident | 30 Ų | 30 | 23.6 Ų | 23.6 | 21% | 0.21 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 178 | -169.4 | 0 | 0 | 0 | 0 | 111.6 | M651 A656 S657 A658 R757 | M651-S654 PolarHBondContact O-N 2.88Å; M651-S654 VanDerWaalsContact O-N 3.14Å; S654-A656 PolarHBondContact O-N 2.96Å; S654-S657 WeakPolarHBondContact O-CB 3.25Å; S654-S657 PolarHBondContact O-N 2.82Å; S654-A658 PolarHBondContact O-N 2.98Å; S654-R757 PolarHBondContact OG-N 3.26Å |
| 655 | L | 91.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 177.3 | 179.2 | 61.2 | 0 | 0 | 0 | 111.4 | M651 S657 A658 L659 V686 I688 I702 L754 V756 | M651-L655 HydrophobicContact CG-CB 4.17Å; M651-L655 VanDerWaalsContact O-CB 3.27Å; M651-L655 WeakPolarHBondContact O-CB 3.49Å; M651-L655 PolarHBondContact O-N 2.9Å; L655-S657 VanDerWaalsContact C-N 3.3Å; L655-S657 PolarHBondContact O-N 3.02Å; L655-A658 PolarHBondContact O-N 3.41Å; L655-L659 HydrophobicContact CD1-CD1 4.31Å; L655-L659 HydrophobicContact CD1-CG 4.11Å; L655-L659 HydrophobicContact CG-CD1 3.95Å; L655-L659 HydrophobicContact CG-CG 4.23Å; L655-L659 VanDerWaalsContact O-CB 3.3Å; L655-L659 WeakPolarHBondContact O-CB 3.31Å; L655-L659 VanDerWaalsContact O-CG 3.26Å; L655-L659 WeakPolarHBondContact O-CG 3.42Å; L655-L659 PolarHBondContact O-N 3.46Å; L655-V686 HydrophobicContact CD2-CG1 3.72Å; L655-I688 HydrophobicContact CD2-CD1 4.34Å; L655-I702 HydrophobicContact CD2-CD1 4.17Å; L655-I702 HydrophobicContact CD2-CG2 4.02Å; L655-I702 HydrophobicContact CG-CD1 4.32Å; L655-L754 HydrophobicContact CD1-CD1 4.22Å; L655-V756 HydrophobicContact CB-CG1 4.05Å; L655-V756 HydrophobicContact CD1-CG2 3.88Å |
| 656 | A | 89.2 | Confident | 88.6 | Confident | 16 Ų | 16 | 22.1 Ų | 22.1 | 13% | 0.132 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.8 | -40.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | S652 G653 S654 L659 R660 I702 L1208 F1210 | S652-A656 WeakPolarHBondContact O-CB 3.28Å; S652-A656 PolarHBondContact O-N 3.4Å; G653-A656 PolarHBondContact O-N 3.11Å; S654-A656 PolarHBondContact O-N 2.96Å; A656-L659 PolarHBondContact O-N 2.92Å; A656-R660 WeakPolarHBondContact O-CB 3.46Å; A656-R660 PolarHBondContact O-N 2.63Å; A656-I702 HydrophobicContact CB-CD1 4.48Å; A656-L1208 HydrophobicContact CB-CD1 4.44Å; A656-F1210 HydrophobicContact CB-CD1 4.36Å; A656-F1210 HydrophobicContact CB-CE1 4.43Å |
| 657 | S | 87.3 | Confident | 88.4 | Confident | 61 Ų | 61 | 22.3 Ų | 22.3 | 43% | 0.427 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65.4 | -40.5 | 175 | -172.8 | 0 | 0 | 0 | 0 | 112.7 | G653 S654 L655 R660 T661 | G653-S657 PolarHBondContact O-N 3.31Å; S654-S657 WeakPolarHBondContact O-CB 3.25Å; S654-S657 PolarHBondContact O-N 2.82Å; L655-S657 VanDerWaalsContact C-N 3.3Å; L655-S657 PolarHBondContact O-N 3.02Å; S657-R660 WeakPolarHBondContact O-CB 3.34Å; S657-T661 PolarHBondContact O-N 3.02Å; S657-T661 PolarHBondContact O-OG1 3.32Å |
| 658 | A | 90.2 | Very high | 88.3 | Confident | 15 Ų | 15 | 22 Ų | 22 | 12% | 0.124 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.3 | -44.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S654 L655 R660 T661 A662 L754 V756 | S654-A658 PolarHBondContact O-N 2.98Å; L655-A658 PolarHBondContact O-N 3.41Å; A658-R660 VanDerWaalsContact C-N 3.33Å; A658-R660 PolarHBondContact O-N 3.38Å; A658-T661 PolarHBondContact O-N 3.29Å; A658-A662 WeakPolarHBondContact O-CB 3.3Å; A658-A662 PolarHBondContact O-N 3.03Å; A658-L754 HydrophobicContact CB-CB 4.15Å; A658-L754 HydrophobicContact CB-CD1 4.48Å; A658-V756 HydrophobicContact CB-CG2 4.01Å |
| 659 | L | 90.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 175.3 | -77.4 | 173.5 | 0 | 0 | 0 | 111.8 | L655 A656 T661 A662 F663 L668 I688 I702 L754 F1210 | L655-L659 HydrophobicContact CD1-CD1 4.31Å; L655-L659 HydrophobicContact CD1-CG 4.11Å; L655-L659 HydrophobicContact CG-CD1 3.95Å; L655-L659 HydrophobicContact CG-CG 4.23Å; L655-L659 VanDerWaalsContact O-CB 3.3Å; L655-L659 WeakPolarHBondContact O-CB 3.31Å; L655-L659 VanDerWaalsContact O-CG 3.26Å; L655-L659 WeakPolarHBondContact O-CG 3.42Å; L655-L659 PolarHBondContact O-N 3.46Å; A656-L659 PolarHBondContact O-N 2.92Å; L659-T661 VanDerWaalsContact C-N 3.27Å; L659-T661 PolarHBondContact O-N 2.86Å; L659-A662 CarbonylContact O-C 3.57Å; L659-A662 WeakPolarHBondContact O-CB 3.27Å; L659-A662 PolarHBondContact O-N 3.37Å; L659-F663 HydrophobicContact CB-CD2 4.2Å; L659-F663 HydrophobicContact CB-CE2 3.82Å; L659-F663 HydrophobicContact CD2-CE2 4.21Å; L659-F663 HydrophobicContact CD2-CZ 4.32Å; L659-F663 HydrophobicContact CG-CE2 4.47Å; L659-F663 WeakPolarHBondContact O-CD2 3.46Å; L659-F663 WeakPolarHBondContact O-CG 3.25Å; L659-F663 PolarHBondContact O-N 3.5Å; L659-L668 HydrophobicContact CD2-CD1 3.96Å; L659-I688 HydrophobicContact CD1-CD1 3.96Å; L659-I688 HydrophobicContact CD1-CG1 4.33Å; L659-I688 HydrophobicContact CD1-CG2 4.09Å; L659-I688 HydrophobicContact CD2-CD1 4.01Å; L659-I702 HydrophobicContact CD1-CD1 4.28Å; L659-L754 HydrophobicContact CD2-CD1 3.71Å; L659-L754 HydrophobicContact CG-CD1 4.19Å; L659-F1210 HydrophobicContact CB-CZ 4.43Å |
| 660 | R | 88.1 | Confident | 87.5 | Confident | 101 Ų | 101 | 21.2 Ų | 21.2 | 38% | 0.381 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -51.4 | -48.8 | 174.3 | -173.5 | -179.6 | 60.7 | 127.7 | -4 | 111.6 | A656 S657 A658 A664 F1210 P1211 | A656-R660 WeakPolarHBondContact O-CB 3.46Å; A656-R660 PolarHBondContact O-N 2.63Å; S657-R660 WeakPolarHBondContact O-CB 3.34Å; A658-R660 VanDerWaalsContact C-N 3.33Å; A658-R660 PolarHBondContact O-N 3.38Å; R660-A664 VanDerWaalsContact O-CB 3.26Å; R660-A664 WeakPolarHBondContact O-CB 3.5Å; R660-A664 PolarHBondContact O-N 3.31Å; R660-A664 VanDerWaalsContact O-N 3.09Å; R660-F1210 HydrophobicContact CB-CD2 4.37Å; R660-P1211 WeakPolarHBondContact CD-O 3.31Å; R660-P1211 WeakPolarHBondContact CG-O 3.44Å |
| 661 | T | 85.9 | Confident | 87 | Confident | 62 Ų | 62 | 21 Ų | 21 | 38% | 0.38 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 178.4 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | S657 A658 L659 A664 S665 | S657-T661 PolarHBondContact O-N 3.02Å; S657-T661 PolarHBondContact O-OG1 3.32Å; A658-T661 PolarHBondContact O-N 3.29Å; L659-T661 VanDerWaalsContact C-N 3.27Å; L659-T661 PolarHBondContact O-N 2.86Å; T661-A664 PolarHBondContact O-N 3.26Å; T661-S665 WeakPolarHBondContact O-CB 3.22Å; T661-S665 PolarHBondContact O-N 3.47Å; T661-S665 PolarHBondContact O-OG 3.21Å |
| 662 | A | 89.3 | Confident | 86.8 | Confident | 3 Ų | 3 | 22.4 Ų | 22.4 | 3% | 0.025 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.8 | -39.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A658 L659 S665 G666 S667 L668 L754 | A658-A662 WeakPolarHBondContact O-CB 3.3Å; A658-A662 PolarHBondContact O-N 3.03Å; L659-A662 CarbonylContact O-C 3.57Å; L659-A662 WeakPolarHBondContact O-CB 3.27Å; L659-A662 PolarHBondContact O-N 3.37Å; A662-S665 PolarHBondContact O-N 2.96Å; A662-S665 PolarHBondContact O-OG 2.93Å; A662-G666 PolarHBondContact O-N 3.38Å; A662-S667 WeakPolarHBondContact CA-OG 3.35Å; A662-S667 WeakPolarHBondContact CB-OG 3.48Å; A662-S667 PolarHBondContact O-N 2.84Å; A662-S667 PolarHBondContact O-OG 3.25Å; A662-S667 VanDerWaalsContact O-OG 3.09Å; A662-L668 HydrophobicContact CB-CD1 3.96Å; A662-L668 HydrophobicContact CB-CG 4.05Å; A662-L754 HydrophobicContact CB-CD2 3.6Å |
| 663 | F | 87 | Confident | 86.8 | Confident | 20 Ų | 20 | 23.8 Ų | 23.8 | 9% | 0.088 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.1 | -44.6 | 173.7 | -71.1 | -54.7 | 0 | 0 | 0 | 111.3 | L659 S665 G666 L668 V671 I690 V700 F1210 | L659-F663 HydrophobicContact CB-CD2 4.2Å; L659-F663 HydrophobicContact CB-CE2 3.82Å; L659-F663 HydrophobicContact CD2-CE2 4.21Å; L659-F663 HydrophobicContact CD2-CZ 4.32Å; L659-F663 HydrophobicContact CG-CE2 4.47Å; L659-F663 WeakPolarHBondContact O-CD2 3.46Å; L659-F663 WeakPolarHBondContact O-CG 3.25Å; L659-F663 PolarHBondContact O-N 3.5Å; F663-S665 PolarHBondContact O-N 3.23Å; F663-G666 PolarHBondContact O-N 2.91Å; F663-L668 HydrophobicContact CD1-CD1 3.89Å; F663-L668 HydrophobicContact CE1-CD1 3.49Å; F663-L668 VanDerWaalsContact CE1-CD1 3.49Å; F663-L668 HydrophobicContact CE2-CD1 4.49Å; F663-L668 HydrophobicContact CZ-CD1 3.82Å; F663-V671 HydrophobicContact CD1-CB 4.31Å; F663-V671 HydrophobicContact CD1-CG1 4.07Å; F663-V671 HydrophobicContact CD1-CG2 3.82Å; F663-V671 HydrophobicContact CE1-CB 4.25Å; F663-V671 HydrophobicContact CE1-CG1 3.63Å; F663-V671 HydrophobicContact CE1-CG2 3.8Å; F663-I690 HydrophobicContact CE1-CD1 3.87Å; F663-I690 HydrophobicContact CE2-CD1 4.42Å; F663-I690 HydrophobicContact CZ-CD1 3.46Å; F663-I690 VanDerWaalsContact CZ-CD1 3.46Å; F663-V700 HydrophobicContact CE2-CG1 4.24Å; F663-V700 HydrophobicContact CZ-CG1 4.4Å; F663-F1210 AromaticContact CD2-CE2 3.48Å; F663-F1210 HydrophobicContact CD2-CE2 3.48Å; F663-F1210 VanDerWaalsContact CD2-CE2 3.48Å; F663-F1210 AromaticContact CD2-CZ 3.96Å; F663-F1210 HydrophobicContact CD2-CZ 3.96Å; F663-F1210 AromaticContact CE2-CE2 3.63Å; F663-F1210 HydrophobicContact CE2-CE2 3.63Å; F663-F1210 AromaticContact CE2-CZ 3.62Å; F663-F1210 HydrophobicContact CE2-CZ 3.62Å |
| 664 | A | 82.6 | Confident | 86.9 | Confident | 5 Ų | 5 | 23.3 Ų | 23.3 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.1 | -22.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R468 R660 T661 C1212 | R468-A664 PolarHBondContact NE-O 3.44Å; R468-A664 PolarHBondContact NH2-O 3.25Å; R660-A664 VanDerWaalsContact O-CB 3.26Å; R660-A664 WeakPolarHBondContact O-CB 3.5Å; R660-A664 PolarHBondContact O-N 3.31Å; R660-A664 VanDerWaalsContact O-N 3.09Å; T661-A664 PolarHBondContact O-N 3.26Å; A664-C1212 VanDerWaalsContact CB-O 3.3Å; A664-C1212 WeakPolarHBondContact CB-O 3.34Å |
| 665 | S | 82.3 | Confident | 87 | Confident | 11 Ų | 11 | 22.4 Ų | 22.4 | 8% | 0.077 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -85.4 | -27.9 | 171.6 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | R467 T661 A662 F663 S667 | R467-S665 PolarHBondContact NH1-O 3.43Å; T661-S665 WeakPolarHBondContact O-CB 3.22Å; T661-S665 PolarHBondContact O-N 3.47Å; T661-S665 PolarHBondContact O-OG 3.21Å; A662-S665 PolarHBondContact O-N 2.96Å; A662-S665 PolarHBondContact O-OG 2.93Å; F663-S665 PolarHBondContact O-N 3.23Å; S665-S667 WeakPolarHBondContact OG-CB 3.42Å; S665-S667 PolarHBondContact OG-N 2.85Å; S665-S667 PolarHBondContact OG-OG 2.97Å; S665-S667 VanDerWaalsContact OG-OG 3.13Å |
| 666 | G | 84.7 | Confident | 87.1 | Confident | 3 Ų | 3 | 22.4 Ų | 22.4 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 11.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R467 A662 F663 L668 G669 | R467-G666 VanDerWaalsContact NH1-CA 3.31Å; A662-G666 PolarHBondContact O-N 3.38Å; F663-G666 PolarHBondContact O-N 2.91Å; G666-L668 PolarHBondContact O-N 3.02Å; G666-G669 PolarHBondContact O-N 2.9Å |
| 667 | S | 86.3 | Confident | 87.4 | Confident | 13 Ų | 13 | 21.7 Ų | 21.7 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.5 | 177.9 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | A662 S665 G669 | A662-S667 WeakPolarHBondContact CA-OG 3.35Å; A662-S667 WeakPolarHBondContact CB-OG 3.48Å; A662-S667 PolarHBondContact O-N 2.84Å; A662-S667 PolarHBondContact O-OG 3.25Å; A662-S667 VanDerWaalsContact O-OG 3.09Å; S665-S667 WeakPolarHBondContact OG-CB 3.42Å; S665-S667 PolarHBondContact OG-N 2.85Å; S665-S667 PolarHBondContact OG-OG 2.97Å; S665-S667 VanDerWaalsContact OG-OG 3.13Å; S667-G669 VanDerWaalsContact C-N 3.26Å; S667-G669 PolarHBondContact O-N 2.92Å |
| 668 | L | 87.4 | Confident | 87.8 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 7.1 | 175 | -61.8 | 175.4 | 0 | 0 | 0 | 113.5 | L659 A662 F663 G666 V671 F677 C751 A752 V1147 | L659-L668 HydrophobicContact CD2-CD1 3.96Å; A662-L668 HydrophobicContact CB-CD1 3.96Å; A662-L668 HydrophobicContact CB-CG 4.05Å; F663-L668 HydrophobicContact CD1-CD1 3.89Å; F663-L668 HydrophobicContact CE1-CD1 3.49Å; F663-L668 VanDerWaalsContact CE1-CD1 3.49Å; F663-L668 HydrophobicContact CE2-CD1 4.49Å; F663-L668 HydrophobicContact CZ-CD1 3.82Å; G666-L668 PolarHBondContact O-N 3.02Å; L668-V671 HydrophobicContact CB-CG2 4.06Å; L668-F677 HydrophobicContact CB-CE1 4.04Å; L668-F677 HydrophobicContact CB-CZ 4.26Å; L668-F677 HydrophobicContact CD2-CD1 4.45Å; L668-F677 HydrophobicContact CD2-CE1 4.4Å; L668-C751 HydrophobicContact CD2-CB 4.08Å; L668-A752 HydrophobicContact CD2-CB 4.28Å; L668-V1147 HydrophobicContact CD2-CB 4.35Å; L668-V1147 HydrophobicContact CD2-CG1 3.87Å |
| 669 | G | 84.5 | Confident | 88 | Confident | 28 Ų | 28 | 18.1 Ų | 18.1 | 29% | 0.289 | 12% | 0.115 | S | C | . | . | trans | 76.2 | -154.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G666 S667 V671 | G666-G669 PolarHBondContact O-N 2.9Å; S667-G669 VanDerWaalsContact C-N 3.26Å; S667-G669 PolarHBondContact O-N 2.92Å; G669-V671 PolarHBondContact O-N 2.78Å | ||
| 670 | S | 81.2 | Confident | 88.1 | Confident | 32 Ų | 32 | 19.2 Ų | 19.2 | 22% | 0.224 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -75.8 | 113.3 | 173.3 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | R1149 | S670-R1149 PolarHBondContact O-NH1 3.33Å; S670-R1149 PolarHBondContact O-NH2 3.35Å |
| 671 | V | 83.3 | Confident | 88 | Confident | 8 Ų | 8 | 15 Ų | 15 | 5% | 0.048 | 10% | 0.103 | C | C | . | . | trans | -102.1 | 105.2 | -175.6 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | F663 L668 G669 F677 I690 R693 | F663-V671 HydrophobicContact CD1-CB 4.31Å; F663-V671 HydrophobicContact CD1-CG1 4.07Å; F663-V671 HydrophobicContact CD1-CG2 3.82Å; F663-V671 HydrophobicContact CE1-CB 4.25Å; F663-V671 HydrophobicContact CE1-CG1 3.63Å; F663-V671 HydrophobicContact CE1-CG2 3.8Å; L668-V671 HydrophobicContact CB-CG2 4.06Å; G669-V671 PolarHBondContact O-N 2.78Å; V671-F677 HydrophobicContact CG1-CE2 4.38Å; V671-F677 HydrophobicContact CG2-CZ 4.11Å; V671-I690 HydrophobicContact CG1-CD1 3.97Å; V671-I690 HydrophobicContact CG1-CG1 3.68Å; V671-I690 HydrophobicContact CG1-CG2 4.26Å; V671-R693 PolarHBondContact O-NH1 2.7Å | ||
| 672 | A | 86.6 | Confident | 87.9 | Confident | 34 Ų | 34 | 16.1 Ų | 16.1 | 28% | 0.281 | 10% | 0.104 | S | C | . | . | trans | -97.5 | 149 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S675 | A672-S675 PolarHBondContact N-OG 3.28Å; A672-S675 WeakPolarHBondContact O-CB 3.33Å; A672-S675 PolarHBondContact O-N 3.27Å; A672-S675 VanDerWaalsContact O-N 3.07Å; A672-S675 PolarHBondContact O-OG 3.14Å | ||
| 673 | P | 89.3 | Confident | 87.5 | Confident | 29 Ų | 29 | 19.2 Ų | 19.2 | 19% | 0.188 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 143.8 | 162.9 | -26 | 36.8 | 0 | 0 | 0 | 111.2 | P288 Q629 S675 R693 | P288-P673 HydrophobicContact CB-CB 4.12Å; P288-P673 HydrophobicContact CG-CB 3.79Å; P288-P673 HydrophobicContact CG-CG 4.42Å; Q629-P673 PolarHBondContact OE1-O 3.32Å; P673-S675 VanDerWaalsContact C-N 3.26Å; P673-S675 PolarHBondContact O-N 2.95Å; P673-R693 HydrophobicContact CG-CB 4.12Å |
| 674 | G | 89 | Confident | 87.5 | Confident | 17 Ų | 17 | 18.5 Ų | 18.5 | 18% | 0.175 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -0.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | H676 I690 | G674-H676 PolarHBondContact O-CD2 3.47Å; G674-H676 PolarHBondContact O-NE2 2.98Å; G674-I690 PolarHBondContact N-O 3.21Å |
| 675 | S | 91.5 | Very high | 88 | Confident | 10 Ų | 10 | 18.6 Ų | 18.6 | 7% | 0.07 | 12% | 0.117 | C | C | . | . | trans | -73.4 | 144.3 | 172.5 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | A672 P673 I690 R1149 | A672-S675 PolarHBondContact N-OG 3.28Å; A672-S675 WeakPolarHBondContact O-CB 3.33Å; A672-S675 PolarHBondContact O-N 3.27Å; A672-S675 VanDerWaalsContact O-N 3.07Å; A672-S675 PolarHBondContact O-OG 3.14Å; P673-S675 VanDerWaalsContact C-N 3.26Å; P673-S675 PolarHBondContact O-N 2.95Å; S675-I690 PolarHBondContact O-N 3.14Å; S675-R1149 PolarHBondContact OG-NH2 3.13Å | ||
| 676 | H | 93.7 | Very high | 88.5 | Confident | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 138.4 | 178.5 | -59.5 | -79.5 | 0 | 0 | 0 | 110.7 | G674 W687 I688 L1150 V1155 W1159 | G674-H676 PolarHBondContact O-CD2 3.47Å; G674-H676 PolarHBondContact O-NE2 2.98Å; H676-W687 HydrophobicContact CB-CZ2 3.99Å; H676-W687 AromaticContact CG-NE1 3.99Å; H676-W687 AromaticContact ND1-CE2 3.92Å; H676-W687 AromaticContact ND1-NE1 3.28Å; H676-W687 PolarHBondContact ND1-NE1 2.83Å; H676-I688 CarbonylContact C-O 3.49Å; H676-I688 WeakPolarHBondContact CA-O 3.47Å; H676-L1150 HydrophobicContact CB-CB 4.11Å; H676-L1150 HydrophobicContact CB-CD1 4.12Å; H676-L1150 PolarHBondContact O-N 3.26Å; H676-V1155 HydrophobicContact CB-CG2 4.4Å; H676-W1159 AromaticContact CE1-CH2 3.53Å; H676-W1159 AromaticContact CE1-CZ3 3.68Å |
| 677 | F | 95.1 | Very high | 89 | Confident | 1 Ų | 1 | 18.1 Ų | 18.1 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 147.6 | 174.3 | -58.6 | -93.8 | 0 | 0 | 0 | 110.1 | L668 V671 I688 I690 V1147 G1148 R1149 | L668-F677 HydrophobicContact CB-CE1 4.04Å; L668-F677 HydrophobicContact CB-CZ 4.26Å; L668-F677 HydrophobicContact CD2-CD1 4.45Å; L668-F677 HydrophobicContact CD2-CE1 4.4Å; V671-F677 HydrophobicContact CG1-CE2 4.38Å; V671-F677 HydrophobicContact CG2-CZ 4.11Å; F677-I688 HydrophobicContact CB-CB 4.2Å; F677-I688 PolarHBondContact N-O 3.49Å; F677-I688 PolarHBondContact O-N 3.39Å; F677-I690 HydrophobicContact CD2-CD1 4.39Å; F677-I690 HydrophobicContact CD2-CG1 4.42Å; F677-I690 HydrophobicContact CE2-CD1 4.09Å; F677-I690 HydrophobicContact CE2-CG1 3.92Å; F677-V1147 HydrophobicContact CB-CG1 3.97Å; F677-V1147 HydrophobicContact CD1-CG1 4.2Å; F677-V1147 HydrophobicContact CG-CG1 4.45Å; F677-G1148 CarbonylContact C-O 3.37Å; F677-G1148 VanDerWaalsContact CA-O 3.22Å; F677-G1148 WeakPolarHBondContact CA-O 3.39Å; F677-R1149 HydrophobicContact CD1-CB 3.89Å; F677-R1149 HydrophobicContact CD1-CG 4.34Å; F677-R1149 HydrophobicContact CE1-CB 3.76Å; F677-R1149 HydrophobicContact CE1-CG 3.99Å; F677-R1149 HydrophobicContact CZ-CG 4.46Å |
| 678 | L | 95.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.3 | 175.6 | -173.4 | 64.1 | 0 | 0 | 0 | 108.3 | M685 W687 V720 L748 V1147 G1148 L1150 L1186 | L678-M685 HydrophobicContact CD1-CE 4.05Å; L678-M685 HydrophobicContact CD1-SD 4.14Å; L678-M685 HydrophobicContact CD2-CE 3.71Å; L678-M685 HydrophobicContact CG-CE 4.05Å; L678-M685 HydrophobicContact CG-SD 4.29Å; L678-W687 HydrophobicContact CD1-CE3 4Å; L678-V720 HydrophobicContact CD2-CG1 4.33Å; L678-V720 HydrophobicContact CD2-CG2 3.9Å; L678-L748 HydrophobicContact CB-CD1 3.94Å; L678-L748 HydrophobicContact CD2-CD1 4.36Å; L678-L748 HydrophobicContact CD2-CD2 4.46Å; L678-V1147 WeakPolarHBondContact O-CA 3.28Å; L678-G1148 PolarHBondContact N-O 2.99Å; L678-G1148 PolarHBondContact O-N 3.01Å; L678-L1150 HydrophobicContact CB-CD1 4.1Å; L678-L1150 HydrophobicContact CB-CD2 4.45Å; L678-L1150 HydrophobicContact CB-CG 4.23Å; L678-L1186 HydrophobicContact CD2-CD1 3.93Å |
| 679 | G | 94.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 129.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | V686 Q1146 | G679-V686 PolarHBondContact N-O 2.82Å; G679-V686 PolarHBondContact O-N 3.05Å; G679-Q1146 CarbonylContact C-O 3.34Å; G679-Q1146 VanDerWaalsContact CA-O 3.28Å; G679-Q1146 WeakPolarHBondContact CA-O 3.32Å |
| 680 | R | 91.8 | Very high | 90.1 | Very high | 23 Ų | 23 | 16.3 Ų | 16.3 | 9% | 0.087 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 133.5 | 176.7 | -179.8 | 74.6 | 177.7 | 90.9 | 12.4 | 109.9 | Q682 R684 M685 V720 D721 F724 Q1146 | R680-Q682 PolarHBondContact NH1-O 2.95Å; R680-Q682 PolarHBondContact NH2-O 3.28Å; R680-R684 PolarHBondContact NH1-O 2.83Å; R680-M685 HydrophobicContact CB-SD 3.96Å; R680-M685 WeakPolarHBondContact CD-SD 3.42Å; R680-M685 HydrophobicContact CG-SD 4.16Å; R680-V720 HydrophobicContact CB-CG1 4.18Å; R680-V720 HydrophobicContact CG-CG1 4.25Å; R680-D721 WeakPolarHBondContact CG-OD1 3.18Å; R680-D721 IonicContact CZ-OD1 2.87Å; R680-D721 IonicContact CZ-OD2 3.19Å; R680-D721 IonicContact NE-OD1 3.53Å; R680-D721 PolarHBondContact NE-OD1 2.79Å; R680-D721 IonicContact NE-OD2 2.71Å; R680-D721 IonicContact NH2-OD1 3.15Å; R680-D721 PolarHBondContact NH2-OD1 3.41Å; R680-D721 IonicContact NH2-OD2 3.45Å; R680-D721 PolarHBondContact NH2-OD2 3.18Å; R680-F724 HydrophobicContact CB-CD2 3.77Å; R680-F724 HydrophobicContact CB-CE2 3.42Å; R680-F724 VanDerWaalsContact CB-CE2 3.42Å; R680-F724 HydrophobicContact CG-CD2 4.19Å; R680-F724 HydrophobicContact CG-CE2 4.28Å; R680-Q1146 PolarHBondContact N-O 3.02Å; R680-Q1146 PolarHBondContact O-N 2.81Å |
| 681 | F | 86.4 | Confident | 90.5 | Very high | 11 Ų | 11 | 15.3 Ų | 15.3 | 5% | 0.048 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 121.6 | 175.9 | 172.1 | -102.4 | 0 | 0 | 0 | 110.8 | D683 R684 V758 Q1143 V1145 | F681-D683 PolarHBondContact O-N 3.23Å; F681-R684 PolarHBondContact N-O 3.12Å; F681-R684 VanDerWaalsContact N-O 3.1Å; F681-R684 WeakPolarHBondContact O-CA 3.37Å; F681-R684 WeakPolarHBondContact O-CB 3.4Å; F681-R684 PolarHBondContact O-N 3.01Å; F681-R684 VanDerWaalsContact O-O 3.11Å; F681-V758 HydrophobicContact CD1-CG2 4.07Å; F681-V758 HydrophobicContact CE1-CB 4.39Å; F681-V758 HydrophobicContact CE1-CG2 3.56Å; F681-V758 HydrophobicContact CE2-CG2 4.13Å; F681-V758 HydrophobicContact CZ-CG2 3.59Å; F681-Q1143 HydrophobicContact CD2-CB 4.09Å; F681-Q1143 HydrophobicContact CE2-CB 3.32Å; F681-Q1143 HydrophobicContact CE2-CG 3.86Å; F681-Q1143 HydrophobicContact CZ-CB 3.89Å; F681-Q1143 HydrophobicContact CZ-CG 3.96Å; F681-V1145 HydrophobicContact CB-CG1 4.44Å; F681-V1145 HydrophobicContact CB-CG2 4.12Å; F681-V1145 HydrophobicContact CG-CG2 4.39Å |
| 682 | Q | 84.7 | Confident | 90.9 | Very high | 86 Ų | 86 | 14.9 Ų | 14.9 | 40% | 0.402 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -94.2 | 179.1 | -72.6 | -173.8 | -19.3 | 0 | 0 | 115.5 | R680 S760 | R680-Q682 PolarHBondContact NH1-O 2.95Å; R680-Q682 PolarHBondContact NH2-O 3.28Å; Q682-S760 VanDerWaalsContact NE2-CB 3.34Å |
| 683 | D | 80.7 | Confident | 91 | Very high | 68 Ų | 68 | 15.2 Ų | 15.2 | 36% | 0.364 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -3.1 | 175.2 | 57.2 | -14.6 | 0 | 0 | 0 | 111.8 | F681 L707 | F681-D683 PolarHBondContact O-N 3.23Å; D683-L707 HydrophobicContact CB-CD2 4.3Å; D683-L707 WeakPolarHBondContact OD2-CD2 3.2Å |
| 684 | R | 87.7 | Confident | 91 | Very high | 6 Ų | 6 | 14 Ų | 14 | 2% | 0.023 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 148.4 | -176.4 | -65.1 | 166.6 | -168.4 | -89.7 | 8.2 | 112.1 | F647 Y648 R680 F681 L707 | F647-R684 VanDerWaalsContact CD2-NH1 3.29Å; F647-R684 VanDerWaalsContact CD2-NH2 3.34Å; F647-R684 VanDerWaalsContact CG-NH1 3.32Å; Y648-R684 HydrophobicContact CE1-CB 4.28Å; R680-R684 PolarHBondContact NH1-O 2.83Å; F681-R684 PolarHBondContact N-O 3.12Å; F681-R684 VanDerWaalsContact N-O 3.1Å; F681-R684 WeakPolarHBondContact O-CA 3.37Å; F681-R684 WeakPolarHBondContact O-CB 3.4Å; F681-R684 PolarHBondContact O-N 3.01Å; F681-R684 VanDerWaalsContact O-O 3.11Å; R684-L707 HydrophobicContact CG-CD1 4.15Å |
| 685 | M | 91.4 | Very high | 91 | Very high | 7 Ų | 7 | 13.4 Ų | 13.4 | 3% | 0.034 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 127.9 | -178.9 | -77.4 | -67 | -118.2 | 0 | 0 | 110.6 | Y648 L678 R680 L705 V720 L1189 | Y648-M685 VanDerWaalsContact CE1-O 3.27Å; Y648-M685 WeakPolarHBondContact CE1-O 3.4Å; Y648-M685 PolarHBondContact OH-N 2.9Å; Y648-M685 PolarHBondContact OH-O 3.04Å; L678-M685 HydrophobicContact CD1-CE 4.05Å; L678-M685 HydrophobicContact CD1-SD 4.14Å; L678-M685 HydrophobicContact CD2-CE 3.71Å; L678-M685 HydrophobicContact CG-CE 4.05Å; L678-M685 HydrophobicContact CG-SD 4.29Å; R680-M685 HydrophobicContact CB-SD 3.96Å; R680-M685 WeakPolarHBondContact CD-SD 3.42Å; R680-M685 HydrophobicContact CG-SD 4.16Å; M685-L705 HydrophobicContact CB-CB 4.05Å; M685-L705 HydrophobicContact CB-CD1 4.13Å; M685-L705 HydrophobicContact CB-CG 4.33Å; M685-L705 PolarHBondContact O-N 3.42Å; M685-V720 HydrophobicContact CE-CB 4.12Å; M685-V720 HydrophobicContact CE-CG1 4Å; M685-V720 HydrophobicContact CE-CG2 3.93Å; M685-L1189 HydrophobicContact CE-CD1 3.75Å |
| 686 | V | 93.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.012 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.8 | -177.1 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | Y648 M651 L655 G679 I688 I702 K703 | Y648-V686 HydrophobicContact CD1-CG2 4.12Å; Y648-V686 HydrophobicContact CE1-CG2 3.89Å; M651-V686 HydrophobicContact CE-CG2 3.2Å; M651-V686 HydrophobicContact SD-CG2 4.05Å; L655-V686 HydrophobicContact CD2-CG1 3.72Å; G679-V686 PolarHBondContact N-O 2.82Å; G679-V686 PolarHBondContact O-N 3.05Å; V686-I688 HydrophobicContact CG1-CG1 4.22Å; V686-I702 HydrophobicContact CG1-CG2 3.51Å; V686-K703 CarbonylContact C-O 3.23Å; V686-K703 WeakPolarHBondContact CA-O 3.43Å; V686-K703 WeakPolarHBondContact CG1-O 3.44Å |
| 687 | W | 94.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 0% | 0.004 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.8 | 173.8 | -167.4 | -82.8 | 0 | 0 | 0 | 110.3 | H676 L678 K703 L1150 V1155 W1159 T1190 A1193 | H676-W687 HydrophobicContact CB-CZ2 3.99Å; H676-W687 AromaticContact CG-NE1 3.99Å; H676-W687 AromaticContact ND1-CE2 3.92Å; H676-W687 AromaticContact ND1-NE1 3.28Å; H676-W687 PolarHBondContact ND1-NE1 2.83Å; L678-W687 HydrophobicContact CD1-CE3 4Å; W687-K703 HydrophobicContact CB-CB 4.2Å; W687-K703 PolarHBondContact N-O 3.17Å; W687-K703 PolarHBondContact O-N 3.43Å; W687-L1150 HydrophobicContact CD2-CD1 4.23Å; W687-L1150 HydrophobicContact CE3-CD1 3.86Å; W687-L1150 HydrophobicContact CH2-CD1 3.15Å; W687-L1150 HydrophobicContact CZ2-CD1 3.54Å; W687-L1150 HydrophobicContact CZ3-CD1 3.32Å; W687-V1155 HydrophobicContact CH2-CG1 4.45Å; W687-V1155 HydrophobicContact CH2-CG2 3.85Å; W687-V1155 HydrophobicContact CZ2-CG1 3.87Å; W687-V1155 HydrophobicContact CZ2-CG2 3.77Å; W687-W1159 HydrophobicContact CZ2-CZ2 4.27Å; W687-T1190 HydrophobicContact CH2-CG2 3.83Å; W687-T1190 WeakPolarHBondContact CH2-OG1 3.21Å; W687-T1190 HydrophobicContact CZ2-CG2 4.43Å; W687-A1193 HydrophobicContact CB-CB 4.24Å; W687-A1193 HydrophobicContact CD2-CB 3.49Å; W687-A1193 VanDerWaalsContact CD2-CB 3.49Å; W687-A1193 HydrophobicContact CE3-CB 3.59Å; W687-A1193 HydrophobicContact CG-CB 3.8Å; W687-A1193 HydrophobicContact CH2-CB 4.33Å; W687-A1193 HydrophobicContact CZ2-CB 4.29Å; W687-A1193 HydrophobicContact CZ3-CB 4.01Å |
| 688 | I | 94.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 123.5 | -179.1 | -56.5 | 153.4 | 0 | 0 | 0 | 108.5 | L655 L659 H676 F677 V686 V700 N701 | L655-I688 HydrophobicContact CD2-CD1 4.34Å; L659-I688 HydrophobicContact CD1-CD1 3.96Å; L659-I688 HydrophobicContact CD1-CG1 4.33Å; L659-I688 HydrophobicContact CD1-CG2 4.09Å; L659-I688 HydrophobicContact CD2-CD1 4.01Å; H676-I688 CarbonylContact C-O 3.49Å; H676-I688 WeakPolarHBondContact CA-O 3.47Å; F677-I688 HydrophobicContact CB-CB 4.2Å; F677-I688 PolarHBondContact N-O 3.49Å; F677-I688 PolarHBondContact O-N 3.39Å; V686-I688 HydrophobicContact CG1-CG1 4.22Å; I688-V700 HydrophobicContact CG2-CB 4.39Å; I688-N701 WeakPolarHBondContact CA-O 3.44Å |
| 689 | M | 93.3 | Very high | 89.6 | Confident | 4 Ų | 4 | 13.7 Ų | 13.7 | 2% | 0.02 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.7 | 177.7 | -177.5 | 178.4 | -174.9 | 0 | 0 | 110.6 | L691 V700 N701 | M689-L691 HydrophobicContact CE-CD2 4.37Å; M689-L691 HydrophobicContact CG-CD2 4.22Å; M689-L691 HydrophobicContact SD-CD2 4.1Å; M689-V700 CarbonylContact O-C 3.57Å; M689-V700 VanDerWaalsContact O-CA 3.24Å; M689-V700 WeakPolarHBondContact O-CA 3.36Å; M689-V700 WeakPolarHBondContact O-CB 3.41Å; M689-N701 HydrophobicContact CB-CB 4.4Å; M689-N701 PolarHBondContact N-O 3.1Å; M689-N701 PolarHBondContact O-N 2.97Å |
| 690 | I | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 119.2 | 174.5 | -47.7 | -57.6 | 0 | 0 | 0 | 109.1 | F663 V671 G674 S675 F677 V700 | F663-I690 HydrophobicContact CE1-CD1 3.87Å; F663-I690 HydrophobicContact CE2-CD1 4.42Å; F663-I690 HydrophobicContact CZ-CD1 3.46Å; F663-I690 VanDerWaalsContact CZ-CD1 3.46Å; V671-I690 HydrophobicContact CG1-CD1 3.97Å; V671-I690 HydrophobicContact CG1-CG1 3.68Å; V671-I690 HydrophobicContact CG1-CG2 4.26Å; G674-I690 PolarHBondContact N-O 3.21Å; S675-I690 PolarHBondContact O-N 3.14Å; F677-I690 HydrophobicContact CD2-CD1 4.39Å; F677-I690 HydrophobicContact CD2-CG1 4.42Å; F677-I690 HydrophobicContact CE2-CD1 4.09Å; F677-I690 HydrophobicContact CE2-CG1 3.92Å; I690-V700 HydrophobicContact CD1-CG1 3.59Å |
| 691 | L | 90.9 | Very high | 89.5 | Confident | 10 Ų | 10 | 12.6 Ų | 12.6 | 5% | 0.052 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -46.3 | -177.9 | -60.6 | 177.2 | 0 | 0 | 0 | 112.1 | R630 V636 M689 T699 N701 P1207 | R630-L691 HydrophobicContact CG-CD2 4.19Å; V636-L691 HydrophobicContact CG1-CD1 4.17Å; V636-L691 HydrophobicContact CG2-CD1 4.13Å; V636-L691 HydrophobicContact CG2-CD2 4.39Å; M689-L691 HydrophobicContact CE-CD2 4.37Å; M689-L691 HydrophobicContact CG-CD2 4.22Å; M689-L691 HydrophobicContact SD-CD2 4.1Å; L691-T699 HydrophobicContact CB-CG2 4.46Å; L691-T699 HydrophobicContact CD1-CG2 4.36Å; L691-T699 PolarHBondContact N-O 2.86Å; L691-N701 HydrophobicContact CD1-CB 4.23Å; L691-N701 HydrophobicContact CG-CB 4.45Å; L691-P1207 HydrophobicContact CD1-CB 4.1Å; L691-P1207 HydrophobicContact CD1-CG 4.21Å |
| 692 | E | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 144.9 | -171.1 | -177.2 | -177.4 | 157.2 | 0 | 0 | 109.3 | S287 P288 M289 S290 R294 Y697 T699 | S287-E692 WeakPolarHBondContact OG-CG 3.3Å; P288-E692 WeakPolarHBondContact O-CG 3.36Å; M289-E692 VanDerWaalsContact SD-CD 3.59Å; M289-E692 HydrophobicContact SD-CG 4.24Å; S290-E692 PolarHBondContact N-OE2 2.92Å; S290-E692 PolarHBondContact OG-OE2 2.83Å; R294-E692 WeakPolarHBondContact CD-OE2 3.24Å; R294-E692 IonicContact CZ-OE1 3.92Å; R294-E692 IonicContact CZ-OE2 3.99Å; R294-E692 VanDerWaalsContact NE-CD 3.35Å; R294-E692 IonicContact NE-OE1 2.81Å; R294-E692 PolarHBondContact NE-OE1 3.01Å; R294-E692 IonicContact NE-OE2 3.01Å; R294-E692 PolarHBondContact NE-OE2 3.36Å; R294-E692 IonicContact NH2-OE1 3.26Å; R294-E692 PolarHBondContact NH2-OE1 3.2Å; R294-E692 IonicContact NH2-OE2 2.69Å; E692-Y697 HydrophobicContact CG-CE2 4.06Å; E692-Y697 WeakPolarHBondContact OE1-CE2 3.35Å; E692-Y697 PolarHBondContact OE1-OH 3.41Å; E692-T699 PolarHBondContact N-O 3.28Å; E692-T699 PolarHBondContact O-N 2.8Å |
| 693 | R | 89.3 | Confident | 90.3 | Very high | 41 Ų | 41 | 8.1 Ų | 8.1 | 16% | 0.155 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 135.2 | 177 | -176.7 | 178.9 | 176.1 | -167.2 | -5.7 | 109.4 | S287 Y472 Q510 V671 P673 | S287-R693 VanDerWaalsContact CB-O 3.29Å; S287-R693 WeakPolarHBondContact CB-O 3.35Å; S287-R693 PolarHBondContact OG-O 3.03Å; Y472-R693 PolarHBondContact OH-NH2 2.62Å; Q510-R693 PolarHBondContact NE2-O 3.17Å; V671-R693 PolarHBondContact O-NH1 2.7Å; P673-R693 HydrophobicContact CG-CB 4.12Å |
| 694 | G | 88.8 | Confident | 90.8 | Very high | 2 Ų | 2 | 4.9 Ų | 4.9 | 2% | 0.021 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | -159.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q510 G696 Y697 | Q510-G694 VanDerWaalsContact NE2-CA 3.33Å; G694-G696 PolarHBondContact O-N 3.39Å; G694-Y697 VanDerWaalsContact CA-CE1 3.44Å; G694-Y697 PolarHBondContact N-O 2.92Å |
| 695 | Y | 89.1 | Confident | 90.9 | Very high | 6 Ų | 6 | 4.7 Ų | 4.7 | 2% | 0.024 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 100.1 | -177 | -174.1 | -109.2 | 0 | 0 | 0 | 110 | F327 S330 L331 F377 L380 Y472 W509 Y697 L1213 | F327-Y695 AromaticContact CE2-CD1 3.9Å; F327-Y695 HydrophobicContact CE2-CD1 3.9Å; F327-Y695 AromaticContact CE2-CE1 3.79Å; F327-Y695 HydrophobicContact CE2-CE1 3.79Å; S330-Y695 WeakPolarHBondContact O-CB 3.34Å; S330-Y695 PolarHBondContact O-N 3.48Å; L331-Y695 HydrophobicContact CD2-CD1 4.04Å; F377-Y695 HydrophobicContact CE1-CE1 4.42Å; L380-Y695 HydrophobicContact CD1-CE1 4.47Å; Y472-Y695 HydrophobicContact CD1-CD2 4.14Å; Y472-Y695 AromaticContact CD1-CE2 3.88Å; Y472-Y695 HydrophobicContact CD1-CE2 3.88Å; Y472-Y695 PolarHBondContact O-OH 3.07Å; W509-Y695 HydrophobicContact CB-CD2 4.39Å; W509-Y695 HydrophobicContact CB-CG 4.46Å; W509-Y695 HydrophobicContact CE3-CD1 4.42Å; W509-Y695 AromaticContact CE3-CD2 3.76Å; W509-Y695 HydrophobicContact CE3-CD2 3.76Å; W509-Y695 HydrophobicContact CE3-CE1 4.21Å; W509-Y695 AromaticContact CE3-CE2 3.52Å; W509-Y695 HydrophobicContact CE3-CE2 3.52Å; W509-Y695 HydrophobicContact CE3-CG 4.21Å; W509-Y695 AromaticContact CE3-CZ 3.75Å; W509-Y695 HydrophobicContact CZ3-CE1 4.33Å; W509-Y695 AromaticContact CZ3-CE2 3.86Å; W509-Y695 HydrophobicContact CZ3-CE2 3.86Å; W509-Y695 AromaticContact CZ3-CZ 3.73Å; W509-Y695 WeakPolarHBondContact O-CB 3.46Å; W509-Y695 WeakPolarHBondContact O-CD2 3.38Å; Y695-Y697 VanDerWaalsContact C-N 3.34Å; Y695-Y697 PolarHBondContact O-N 3.32Å; Y695-L1213 HydrophobicContact CD1-CD1 4.24Å; Y695-L1213 HydrophobicContact CE1-CD1 3.99Å |
| 696 | G | 80.8 | Confident | 90.2 | Very high | 6 Ų | 6 | 7.4 Ų | 7.4 | 6% | 0.062 | 4% | 0.035 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 21.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | G694 P1211 C1212 L1213 | G694-G696 PolarHBondContact O-N 3.39Å; G696-P1211 CarbonylContact O-C 3.53Å; G696-P1211 VanDerWaalsContact O-CA 3.27Å; G696-P1211 WeakPolarHBondContact O-CA 3.32Å; G696-C1212 PolarHBondContact O-N 3Å; G696-L1213 VanDerWaalsContact CA-CG 3.41Å |
| 697 | Y | 86.4 | Confident | 88.6 | Confident | 10 Ų | 10 | 9 Ų | 9 | 4% | 0.039 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 154.2 | 169.4 | 77.4 | -89.3 | 0 | 0 | 0 | 111.6 | S330 D332 E692 G694 Y695 F1210 | S330-Y697 WeakPolarHBondContact O-CE1 3.34Å; D332-Y697 HydrophobicContact CB-CD1 3.93Å; D332-Y697 HydrophobicContact CB-CD2 4.23Å; D332-Y697 HydrophobicContact CB-CE1 4.05Å; D332-Y697 HydrophobicContact CB-CE2 4.37Å; D332-Y697 HydrophobicContact CB-CG 4.02Å; E692-Y697 HydrophobicContact CG-CE2 4.06Å; E692-Y697 WeakPolarHBondContact OE1-CE2 3.35Å; E692-Y697 PolarHBondContact OE1-OH 3.41Å; G694-Y697 VanDerWaalsContact CA-CE1 3.44Å; G694-Y697 PolarHBondContact N-O 2.92Å; Y695-Y697 VanDerWaalsContact C-N 3.34Å; Y695-Y697 PolarHBondContact O-N 3.32Å; Y697-F1210 VanDerWaalsContact CA-O 3.31Å; Y697-F1210 WeakPolarHBondContact CA-O 3.38Å |
| 698 | C | 88.5 | Confident | 86.5 | Confident | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.02 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 141.1 | 174.7 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | F1210 C1212 | C698-F1210 HydrophobicContact CB-CD2 4.14Å; C698-F1210 HydrophobicContact CB-CE2 3.68Å; C698-F1210 PolarHBondContact N-O 3.45Å; C698-F1210 PolarHBondContact O-N 3.34Å; C698-C1212 WeakPolarHBondContact CB-SG 3.39Å |
| 699 | T | 89.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126 | 175.6 | -46.6 | 0 | 0 | 0 | 0 | 109 | L691 E692 P1207 L1208 H1209 | L691-T699 HydrophobicContact CB-CG2 4.46Å; L691-T699 HydrophobicContact CD1-CG2 4.36Å; L691-T699 PolarHBondContact N-O 2.86Å; E692-T699 PolarHBondContact N-O 3.28Å; E692-T699 PolarHBondContact O-N 2.8Å; T699-P1207 HydrophobicContact CG2-CB 3.8Å; T699-L1208 CarbonylContact C-O 3.51Å; T699-L1208 VanDerWaalsContact CA-O 3.28Å; T699-L1208 WeakPolarHBondContact CA-O 3.43Å; T699-H1209 WeakPolarHBondContact CG2-CE1 3.39Å; T699-H1209 VanDerWaalsContact CG2-ND1 3.35Å; T699-H1209 WeakPolarHBondContact CG2-ND1 3.5Å; T699-H1209 PolarHBondContact OG1-CE1 3.42Å; T699-H1209 VanDerWaalsContact OG1-CE1 3.31Å; T699-H1209 PolarHBondContact OG1-ND1 3.17Å |
| 700 | V | 92 | Very high | 83.1 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 156.6 | -177.3 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | F663 I688 M689 I690 I702 L1208 F1210 | F663-V700 HydrophobicContact CE2-CG1 4.24Å; F663-V700 HydrophobicContact CZ-CG1 4.4Å; I688-V700 HydrophobicContact CG2-CB 4.39Å; M689-V700 CarbonylContact O-C 3.57Å; M689-V700 VanDerWaalsContact O-CA 3.24Å; M689-V700 WeakPolarHBondContact O-CA 3.36Å; M689-V700 WeakPolarHBondContact O-CB 3.41Å; I690-V700 HydrophobicContact CD1-CG1 3.59Å; V700-I702 HydrophobicContact CG2-CG1 4.17Å; V700-L1208 HydrophobicContact CG2-CB 4.17Å; V700-L1208 PolarHBondContact N-O 3.43Å; V700-L1208 PolarHBondContact O-N 3.29Å; V700-F1210 HydrophobicContact CB-CE1 4.27Å; V700-F1210 HydrophobicContact CB-CZ 4.15Å; V700-F1210 HydrophobicContact CG1-CE1 4.03Å; V700-F1210 HydrophobicContact CG1-CE2 4.31Å; V700-F1210 HydrophobicContact CG1-CZ 3.43Å; V700-F1210 VanDerWaalsContact CG1-CZ 3.43Å; V700-F1210 HydrophobicContact CG2-CD1 4.45Å; V700-F1210 HydrophobicContact CG2-CE1 3.29Å; V700-F1210 HydrophobicContact CG2-CZ 3.6Å |
| 701 | N | 92.9 | Very high | 81.8 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 129.3 | 163.5 | -178.9 | 3.5 | 0 | 0 | 0 | 108.8 | V636 I688 M689 L691 K703 S1204 S1205 | V636-N701 HydrophobicContact CG1-CB 3.75Å; V636-N701 VanDerWaalsContact CG1-CG 3.45Å; V636-N701 WeakPolarHBondContact CG1-ND2 3.47Å; I688-N701 WeakPolarHBondContact CA-O 3.44Å; M689-N701 HydrophobicContact CB-CB 4.4Å; M689-N701 PolarHBondContact N-O 3.1Å; M689-N701 PolarHBondContact O-N 2.97Å; L691-N701 HydrophobicContact CD1-CB 4.23Å; L691-N701 HydrophobicContact CG-CB 4.45Å; N701-K703 WeakPolarHBondContact ND2-CE 3.24Å; N701-S1204 PolarHBondContact ND2-OG 3Å; N701-S1204 PolarHBondContact OD1-OG 2.9Å; N701-S1204 VanDerWaalsContact OD1-OG 3.09Å; N701-S1205 PolarHBondContact OD1-O 2.85Å |
| 702 | I | 93.7 | Very high | 80.8 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 120.1 | 173.5 | -58.3 | 178.6 | 0 | 0 | 0 | 107.9 | L655 A656 L659 V686 V700 S1205 L1208 | L655-I702 HydrophobicContact CD2-CD1 4.17Å; L655-I702 HydrophobicContact CD2-CG2 4.02Å; L655-I702 HydrophobicContact CG-CD1 4.32Å; A656-I702 HydrophobicContact CB-CD1 4.48Å; L659-I702 HydrophobicContact CD1-CD1 4.28Å; V686-I702 HydrophobicContact CG1-CG2 3.51Å; V700-I702 HydrophobicContact CG2-CG1 4.17Å; I702-S1205 PolarHBondContact N-OG 3.29Å; I702-S1205 PolarHBondContact O-N 3.4Å; I702-L1208 HydrophobicContact CD1-CD1 3.66Å; I702-L1208 HydrophobicContact CG1-CD1 4.08Å |
| 703 | K | 93.1 | Very high | 80.2 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 141 | 175.5 | -48.6 | -174.1 | -178.8 | -172.8 | 0 | 111.5 | V686 W687 N701 A1193 D1195 P1201 Y1203 | V686-K703 CarbonylContact C-O 3.23Å; V686-K703 WeakPolarHBondContact CA-O 3.43Å; V686-K703 WeakPolarHBondContact CG1-O 3.44Å; W687-K703 HydrophobicContact CB-CB 4.2Å; W687-K703 PolarHBondContact N-O 3.17Å; W687-K703 PolarHBondContact O-N 3.43Å; N701-K703 WeakPolarHBondContact ND2-CE 3.24Å; K703-A1193 WeakPolarHBondContact CD-O 3.33Å; K703-A1193 PolarHBondContact NZ-O 3.15Å; K703-D1195 VanDerWaalsContact CE-OD1 3.29Å; K703-D1195 WeakPolarHBondContact CE-OD1 3.43Å; K703-D1195 VanDerWaalsContact NZ-CG 3.27Å; K703-D1195 IonicContact NZ-OD1 3.78Å; K703-D1195 PolarHBondContact NZ-OD1 2.87Å; K703-D1195 IonicContact NZ-OD2 2.75Å; K703-P1201 HydrophobicContact CB-CB 4.28Å; K703-P1201 HydrophobicContact CD-CB 4.18Å; K703-P1201 HydrophobicContact CD-CG 4.33Å; K703-Y1203 CarbonylContact C-O 3.54Å; K703-Y1203 WeakPolarHBondContact CA-O 3.29Å; K703-Y1203 WeakPolarHBondContact CB-O 3.31Å |
| 704 | G | 92.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 136.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y648 I1202 Y1203 | Y648-G704 VanDerWaalsContact CD1-CA 3.43Å; G704-I1202 WeakPolarHBondContact O-CG1 3.38Å; G704-I1202 PolarHBondContact O-N 3.02Å; G704-Y1203 PolarHBondContact N-O 3.35Å; G704-Y1203 PolarHBondContact O-N 3.18Å |
| 705 | L | 89.4 | Confident | 79.5 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -98.5 | 150.4 | 173.1 | -51.1 | -176.5 | 0 | 0 | 0 | 109.7 | Y648 M685 L1189 Q1192 A1193 I1202 | Y648-L705 PolarHBondContact OH-O 3.45Å; M685-L705 HydrophobicContact CB-CB 4.05Å; M685-L705 HydrophobicContact CB-CD1 4.13Å; M685-L705 HydrophobicContact CB-CG 4.33Å; M685-L705 PolarHBondContact O-N 3.42Å; L705-L1189 HydrophobicContact CD1-CB 4.42Å; L705-L1189 HydrophobicContact CD1-CD2 4.19Å; L705-Q1192 HydrophobicContact CD2-CG 4.11Å; L705-A1193 HydrophobicContact CD2-CB 3.86Å; L705-I1202 WeakPolarHBondContact O-CD1 3.47Å |
| 706 | E | 77.6 | Confident | 79.4 | Confident | 65 Ų | 65 | 31.9 Ų | 31.9 | 30% | 0.304 | 18% | 0.177 | S | C | . | . | P | Polyproline II helix | trans | -66.1 | 144.7 | -176 | -163.3 | 171.5 | -173.6 | 0 | 0 | 112.4 | Q708 I1202 | E706-Q708 HydrophobicContact CG-CB 4.46Å; E706-I1202 HydrophobicContact CB-CG2 3.65Å; E706-I1202 HydrophobicContact CG-CG2 3.87Å |
| 707 | L | 60.4 | Low | 79.7 | Confident | 36 Ų | 36 | 32.1 Ų | 32.1 | 19% | 0.188 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -82.3 | -19.6 | 179.7 | -88.5 | 88.2 | 0 | 0 | 0 | 114.1 | D644 Y648 D683 R684 E709 | D644-L707 HydrophobicContact CB-CD1 4.27Å; Y648-L707 HydrophobicContact CE2-CD1 4.15Å; D683-L707 HydrophobicContact CB-CD2 4.3Å; D683-L707 WeakPolarHBondContact OD2-CD2 3.2Å; R684-L707 HydrophobicContact CG-CD1 4.15Å; L707-E709 PolarHBondContact O-N 2.93Å |
| 708 | Q | 50.3 | Low | 79.8 | Confident | 171 Ų | 171 | 39.8 Ų | 39.8 | 80% | 0.799 | 21% | 0.207 | S | C | * | . | trans | -94.4 | 84.8 | -165.8 | -133.9 | 168.2 | -6.3 | 0 | 0 | 110.4 | E706 | E706-Q708 HydrophobicContact CG-CB 4.46Š| ||
| 709 | E | 56.7 | Low | 79.8 | Confident | 53 Ų | 53 | 41.5 Ų | 41.5 | 25% | 0.248 | 21% | 0.213 | C | C | . | . | trans | -90 | 124 | -168.2 | -73.1 | -169.3 | 160.4 | 0 | 0 | 112.8 | L707 H713 T714 | L707-E709 PolarHBondContact O-N 2.93Å; E709-H713 HydrophobicContact CB-CB 3.61Å; E709-H713 VanDerWaalsContact CD-C 3.47Å; E709-H713 HydrophobicContact CG-CB 3.34Å; E709-H713 WeakPolarHBondContact OE1-CB 3.16Å; E709-T714 HydrophobicContact CB-CG2 3.54Å; E709-T714 WeakPolarHBondContact OE2-CA 3.19Å; E709-T714 WeakPolarHBondContact OE2-CG2 3.11Å; E709-T714 PolarHBondContact OE2-N 2.92Å | ||
| 710 | T | 58.3 | Low | 79.9 | Confident | 78 Ų | 78 | 41.5 Ų | 41.5 | 48% | 0.479 | 21% | 0.213 | S | C | . | . | trans | -52.5 | 154.6 | 152.7 | 57.7 | 0 | 0 | 0 | 0 | 109.6 | C712 H713 | T710-C712 PolarHBondContact O-N 3.28Å; T710-H713 PolarHBondContact O-N 2.9Å; T710-H713 PolarHBondContact OG1-CD2 3.24Å; T710-H713 VanDerWaalsContact OG1-CD2 3.31Å | ||
| 711 | S | 66.2 | Low | 79.8 | Confident | 93 Ų | 93 | 43.5 Ų | 43.5 | 65% | 0.65 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -54.2 | -16.4 | -174.8 | 62.9 | 0 | 0 | 0 | 0 | 115.3 | T714 V715 | S711-T714 PolarHBondContact O-OG1 2.94Å; S711-V715 VanDerWaalsContact O-CG2 3.3Å; S711-V715 WeakPolarHBondContact O-CG2 3.47Å |
| 712 | C | 71.3 | Confident | 79.7 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 9% | 0.088 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -85.4 | -35.2 | 178.2 | -74 | 0 | 0 | 0 | 0 | 114 | T710 T714 V715 E716 S1178 A1181 | T710-C712 PolarHBondContact O-N 3.28Å; C712-T714 VanDerWaalsContact C-N 3.33Å; C712-V715 PolarHBondContact O-N 3.39Å; C712-E716 PolarHBondContact O-N 2.96Å; C712-S1178 WeakPolarHBondContact CB-O 3.46Å; C712-S1178 PolarHBondContact SG-O 2.86Å; C712-A1181 HydrophobicContact CB-CB 3.99Å |
| 713 | H | 76.8 | Confident | 79.6 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 7% | 0.065 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.4 | -36.4 | 176.4 | -74.6 | -117.3 | 0 | 0 | 0 | 110.5 | E709 T710 V715 E716 A717 Y1200 | E709-H713 HydrophobicContact CB-CB 3.61Å; E709-H713 VanDerWaalsContact CD-C 3.47Å; E709-H713 HydrophobicContact CG-CB 3.34Å; E709-H713 WeakPolarHBondContact OE1-CB 3.16Å; T710-H713 PolarHBondContact O-N 2.9Å; T710-H713 PolarHBondContact OG1-CD2 3.24Å; T710-H713 VanDerWaalsContact OG1-CD2 3.31Å; H713-V715 PolarHBondContact O-N 3.46Å; H713-E716 WeakPolarHBondContact O-CA 3.47Å; H713-E716 PolarHBondContact O-N 3.4Å; H713-A717 PolarHBondContact O-N 3.01Å; H713-Y1200 PolarHBondContact CE1-OH 3.19Å; H713-Y1200 PolarHBondContact NE2-OH 3.48Å |
| 714 | T | 80.2 | Confident | 79.5 | Confident | 66 Ų | 66 | 46.7 Ų | 46.7 | 41% | 0.405 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.4 | -32.3 | 178.4 | 59 | 0 | 0 | 0 | 0 | 112.6 | E709 S711 C712 R718 | E709-T714 HydrophobicContact CB-CG2 3.54Å; E709-T714 WeakPolarHBondContact OE2-CA 3.19Å; E709-T714 WeakPolarHBondContact OE2-CG2 3.11Å; E709-T714 PolarHBondContact OE2-N 2.92Å; S711-T714 PolarHBondContact O-OG1 2.94Å; C712-T714 VanDerWaalsContact C-N 3.33Å; T714-R718 VanDerWaalsContact O-CB 3.28Å; T714-R718 WeakPolarHBondContact O-CB 3.38Å; T714-R718 PolarHBondContact O-N 3.33Å |
| 715 | V | 82.9 | Confident | 79.3 | Confident | 56 Ų | 56 | 51.3 Ų | 51.3 | 34% | 0.339 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.7 | -39.7 | 174.2 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | S711 C712 H713 R719 P1183 | S711-V715 VanDerWaalsContact O-CG2 3.3Å; S711-V715 WeakPolarHBondContact O-CG2 3.47Å; C712-V715 PolarHBondContact O-N 3.39Å; H713-V715 PolarHBondContact O-N 3.46Å; V715-R719 PolarHBondContact O-N 3.27Å; V715-R719 VanDerWaalsContact O-N 3.13Å; V715-P1183 HydrophobicContact CG1-CB 4.37Å; V715-P1183 HydrophobicContact CG1-CG 3.75Å |
| 716 | E | 87.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.3 | -41 | 176.3 | -59.4 | -161.4 | 158.1 | 0 | 0 | 111.5 | C712 H713 R719 V720 H1182 L1186 R1187 N1188 L1189 | C712-E716 PolarHBondContact O-N 2.96Å; H713-E716 WeakPolarHBondContact O-CA 3.47Å; H713-E716 PolarHBondContact O-N 3.4Å; E716-R719 WeakPolarHBondContact O-CB 3.22Å; E716-R719 PolarHBondContact O-N 3.21Å; E716-R719 VanDerWaalsContact O-N 3.14Å; E716-V720 WeakPolarHBondContact O-CG2 3.26Å; E716-V720 PolarHBondContact O-N 3.09Å; E716-H1182 PolarHBondContact OE1-N 2.91Å; E716-L1186 HydrophobicContact CB-CD2 4.09Å; E716-L1186 WeakPolarHBondContact OE2-CA 3.33Å; E716-R1187 PolarHBondContact OE1-N 3.37Å; E716-R1187 PolarHBondContact OE2-N 3.32Å; E716-N1188 PolarHBondContact OE1-N 2.93Å; E716-N1188 WeakPolarHBondContact OE2-CB 3.46Å; E716-N1188 PolarHBondContact OE2-N 2.83Å; E716-L1189 HydrophobicContact CB-CD1 3.93Å; E716-L1189 HydrophobicContact CB-CG 4.16Å; E716-L1189 PolarHBondContact OE2-N 3.41Å |
| 717 | A | 87.3 | Confident | 79.5 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H713 R719 V720 D721 | H713-A717 PolarHBondContact O-N 3.01Å; A717-R719 PolarHBondContact O-N 2.99Å; A717-V720 WeakPolarHBondContact O-CA 3.28Å; A717-V720 WeakPolarHBondContact O-CB 3.47Å; A717-V720 PolarHBondContact O-N 2.98Å; A717-D721 PolarHBondContact O-N 3Å |
| 718 | R | 88.5 | Confident | 80.8 | Confident | 172 Ų | 172 | 47.6 Ų | 47.6 | 65% | 0.649 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -58 | -38.2 | 173.5 | -178.1 | 177.7 | 178 | 164.5 | 5.9 | 112.1 | T714 V720 D721 E722 | T714-R718 VanDerWaalsContact O-CB 3.28Å; T714-R718 WeakPolarHBondContact O-CB 3.38Å; T714-R718 PolarHBondContact O-N 3.33Å; R718-V720 VanDerWaalsContact C-N 3.3Å; R718-V720 PolarHBondContact O-N 2.62Å; R718-D721 PolarHBondContact O-N 2.89Å; R718-E722 IonicContact NE-OE1 2.67Å; R718-E722 WeakPolarHBondContact O-CG 3.47Å; R718-E722 PolarHBondContact O-N 3.06Å |
| 719 | R | 89 | Confident | 82.1 | Confident | 38 Ų | 38 | 44.7 Ų | 44.7 | 14% | 0.143 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -33.8 | 176.6 | -175.3 | 54.6 | 173.3 | -179.9 | -1.9 | 112.1 | V715 E716 A717 E722 V723 H743 N746 P1183 | V715-R719 PolarHBondContact O-N 3.27Å; V715-R719 VanDerWaalsContact O-N 3.13Å; E716-R719 WeakPolarHBondContact O-CB 3.22Å; E716-R719 PolarHBondContact O-N 3.21Å; E716-R719 VanDerWaalsContact O-N 3.14Å; A717-R719 PolarHBondContact O-N 2.99Å; R719-E722 WeakPolarHBondContact CD-OE2 3.35Å; R719-E722 IonicContact CZ-OE2 3.81Å; R719-E722 IonicContact NH1-OE2 3.73Å; R719-E722 PolarHBondContact NH1-OE2 3.33Å; R719-V723 VanDerWaalsContact O-CG2 3.25Å; R719-V723 WeakPolarHBondContact O-CG2 2.88Å; R719-V723 PolarHBondContact O-N 3.06Å; R719-H743 PolarHBondContact NH2-ND1 3.43Å; R719-N746 PolarHBondContact NE-ND2 3.19Å; R719-N746 PolarHBondContact NH2-ND2 3.06Å; R719-N746 PolarHBondContact NH2-OD1 3.17Å; R719-P1183 HydrophobicContact CB-CB 4.24Å; R719-P1183 HydrophobicContact CG-CB 4.25Å |
| 720 | V | 91.5 | Very high | 82.5 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -43.9 | 172.4 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | L678 R680 M685 E716 A717 R718 V723 F724 L748 L1186 L1189 | L678-V720 HydrophobicContact CD2-CG1 4.33Å; L678-V720 HydrophobicContact CD2-CG2 3.9Å; R680-V720 HydrophobicContact CB-CG1 4.18Å; R680-V720 HydrophobicContact CG-CG1 4.25Å; M685-V720 HydrophobicContact CE-CB 4.12Å; M685-V720 HydrophobicContact CE-CG1 4Å; M685-V720 HydrophobicContact CE-CG2 3.93Å; E716-V720 WeakPolarHBondContact O-CG2 3.26Å; E716-V720 PolarHBondContact O-N 3.09Å; A717-V720 WeakPolarHBondContact O-CA 3.28Å; A717-V720 WeakPolarHBondContact O-CB 3.47Å; A717-V720 PolarHBondContact O-N 2.98Å; R718-V720 VanDerWaalsContact C-N 3.3Å; R718-V720 PolarHBondContact O-N 2.62Å; V720-V723 PolarHBondContact O-N 3.36Å; V720-F724 HydrophobicContact CG1-CD2 3.51Å; V720-F724 HydrophobicContact CG1-CE2 3.3Å; V720-F724 HydrophobicContact CG1-CZ 4.29Å; V720-F724 PolarHBondContact O-N 3.23Å; V720-L748 HydrophobicContact CB-CD2 4.36Å; V720-L748 HydrophobicContact CG1-CD2 3.79Å; V720-L748 HydrophobicContact CG2-CD2 4.14Å; V720-L1186 HydrophobicContact CG2-CD1 3.75Å; V720-L1186 HydrophobicContact CG2-CD2 3.65Å; V720-L1186 HydrophobicContact CG2-CG 4.37Å; V720-L1189 HydrophobicContact CG2-CD1 4.32Å |
| 721 | D | 90.8 | Very high | 82.5 | Confident | 41 Ų | 41 | 48 Ų | 48 | 22% | 0.219 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.1 | -47.6 | 178.2 | -64.9 | -20.4 | 0 | 0 | 0 | 110.9 | R680 A717 R718 V723 F724 E725 | R680-D721 WeakPolarHBondContact CG-OD1 3.18Å; R680-D721 IonicContact CZ-OD1 2.87Å; R680-D721 IonicContact CZ-OD2 3.19Å; R680-D721 IonicContact NE-OD1 3.53Å; R680-D721 PolarHBondContact NE-OD1 2.79Å; R680-D721 IonicContact NE-OD2 2.71Å; R680-D721 IonicContact NH2-OD1 3.15Å; R680-D721 PolarHBondContact NH2-OD1 3.41Å; R680-D721 IonicContact NH2-OD2 3.45Å; R680-D721 PolarHBondContact NH2-OD2 3.18Å; A717-D721 PolarHBondContact O-N 3Å; R718-D721 PolarHBondContact O-N 2.89Å; D721-V723 VanDerWaalsContact C-N 3.28Å; D721-V723 PolarHBondContact O-N 3.37Å; D721-F724 PolarHBondContact O-N 3.33Å; D721-F724 VanDerWaalsContact O-N 3.12Å; D721-E725 WeakPolarHBondContact O-CB 3.43Å; D721-E725 VanDerWaalsContact O-CG 3.31Å; D721-E725 WeakPolarHBondContact O-CG 3.24Å; D721-E725 PolarHBondContact O-N 3.16Å |
| 722 | E | 90.5 | Very high | 81.9 | Confident | 70 Ų | 70 | 51.1 Ų | 51.1 | 33% | 0.327 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -54.8 | -41.4 | 174.7 | -72.9 | 174.1 | -174.9 | 0 | 0 | 113.1 | R718 R719 A726 | R718-E722 IonicContact NE-OE1 2.67Å; R718-E722 WeakPolarHBondContact O-CG 3.47Å; R718-E722 PolarHBondContact O-N 3.06Å; R719-E722 WeakPolarHBondContact CD-OE2 3.35Å; R719-E722 IonicContact CZ-OE2 3.81Å; R719-E722 IonicContact NH1-OE2 3.73Å; R719-E722 PolarHBondContact NH1-OE2 3.33Å; E722-A726 VanDerWaalsContact O-CB 3.27Å; E722-A726 WeakPolarHBondContact O-CB 3.14Å; E722-A726 PolarHBondContact O-N 3.37Å; E722-A726 VanDerWaalsContact O-N 3.14Å |
| 723 | V | 90.8 | Very high | 80.7 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.4 | -38.7 | -179.4 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | R719 V720 D721 A727 H743 N746 L748 P750 | R719-V723 VanDerWaalsContact O-CG2 3.25Å; R719-V723 WeakPolarHBondContact O-CG2 2.88Å; R719-V723 PolarHBondContact O-N 3.06Å; V720-V723 PolarHBondContact O-N 3.36Å; D721-V723 VanDerWaalsContact C-N 3.28Å; D721-V723 PolarHBondContact O-N 3.37Å; V723-A727 PolarHBondContact O-N 3.42Å; V723-H743 HydrophobicContact CG2-CB 4.1Å; V723-N746 WeakPolarHBondContact CG2-ND2 3.28Å; V723-L748 HydrophobicContact CG1-CD2 4.21Å; V723-L748 HydrophobicContact CG1-CG 4.48Å; V723-P750 HydrophobicContact CG1-CG 3.62Å |
| 724 | F | 91 | Very high | 79.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -77.6 | -40.4 | 178.7 | -73 | -41.7 | 0 | 0 | 0 | 113.3 | R680 V720 D721 A726 A727 F728 L748 P750 Q1146 | R680-F724 HydrophobicContact CB-CD2 3.77Å; R680-F724 HydrophobicContact CB-CE2 3.42Å; R680-F724 VanDerWaalsContact CB-CE2 3.42Å; R680-F724 HydrophobicContact CG-CD2 4.19Å; R680-F724 HydrophobicContact CG-CE2 4.28Å; V720-F724 HydrophobicContact CG1-CD2 3.51Å; V720-F724 HydrophobicContact CG1-CE2 3.3Å; V720-F724 HydrophobicContact CG1-CZ 4.29Å; V720-F724 PolarHBondContact O-N 3.23Å; D721-F724 PolarHBondContact O-N 3.33Å; D721-F724 VanDerWaalsContact O-N 3.12Å; F724-A726 PolarHBondContact O-N 3.1Å; F724-A727 PolarHBondContact O-N 3.11Å; F724-F728 HydrophobicContact CB-CD2 4.1Å; F724-F728 HydrophobicContact CB-CE2 4.43Å; F724-F728 HydrophobicContact CD1-CD2 4.14Å; F724-F728 AromaticContact CD1-CE2 3.61Å; F724-F728 HydrophobicContact CD1-CE2 3.61Å; F724-F728 HydrophobicContact CE1-CE2 4.2Å; F724-F728 HydrophobicContact CG-CD2 4.47Å; F724-F728 HydrophobicContact CG-CE2 4.31Å; F724-F728 WeakPolarHBondContact O-CD2 3.46Å; F724-F728 PolarHBondContact O-N 3.15Å; F724-L748 HydrophobicContact CE1-CD2 4.06Å; F724-L748 HydrophobicContact CE2-CD2 4.03Å; F724-L748 HydrophobicContact CZ-CD1 4.47Å; F724-L748 HydrophobicContact CZ-CD2 3.72Å; F724-L748 HydrophobicContact CZ-CG 4.45Å; F724-P750 HydrophobicContact CD1-CB 3.93Å; F724-P750 HydrophobicContact CD1-CG 3.9Å; F724-P750 HydrophobicContact CE1-CB 4.06Å; F724-P750 HydrophobicContact CE1-CG 4.2Å; F724-Q1146 HydrophobicContact CB-CB 4.5Å; F724-Q1146 HydrophobicContact CD1-CB 4.23Å; F724-Q1146 HydrophobicContact CD2-CB 4.01Å; F724-Q1146 HydrophobicContact CE1-CB 4.41Å; F724-Q1146 HydrophobicContact CE2-CB 4.21Å; F724-Q1146 HydrophobicContact CG-CB 4.02Å; F724-Q1146 HydrophobicContact CZ-CB 4.39Å |
| 725 | E | 88.7 | Confident | 78 | Confident | 97 Ų | 97 | 66.2 Ų | 66.2 | 45% | 0.453 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.7 | -43.3 | 172.2 | -73.4 | 176.7 | -173.7 | 0 | 0 | 110.8 | D721 A727 E729 | D721-E725 WeakPolarHBondContact O-CB 3.43Å; D721-E725 VanDerWaalsContact O-CG 3.31Å; D721-E725 WeakPolarHBondContact O-CG 3.24Å; D721-E725 PolarHBondContact O-N 3.16Å; E725-A727 PolarHBondContact O-N 3.23Å; E725-E729 PolarHBondContact O-N 3.33Å |
| 726 | A | 85.8 | Confident | 76.5 | Confident | 6 Ų | 6 | 73.9 Ų | 73.9 | 5% | 0.05 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.8 | -29 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E722 F724 R730 | E722-A726 VanDerWaalsContact O-CB 3.27Å; E722-A726 WeakPolarHBondContact O-CB 3.14Å; E722-A726 PolarHBondContact O-N 3.37Å; E722-A726 VanDerWaalsContact O-N 3.14Å; F724-A726 PolarHBondContact O-N 3.1Å; A726-R730 VanDerWaalsContact CB-NH2 3.33Å; A726-R730 VanDerWaalsContact O-CD 3.25Å; A726-R730 WeakPolarHBondContact O-CD 2.92Å; A726-R730 PolarHBondContact O-NE 2.83Å |
| 727 | A | 85.8 | Confident | 74.8 | Confident | 2 Ų | 2 | 80.5 Ų | 80.5 | 2% | 0.017 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -93.4 | -41.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y432 V723 F724 E725 P750 | Y432-A727 HydrophobicContact CE2-CB 3.65Å; V723-A727 PolarHBondContact O-N 3.42Å; F724-A727 PolarHBondContact O-N 3.11Å; E725-A727 PolarHBondContact O-N 3.23Å; A727-P750 HydrophobicContact CB-CB 3.7Å; A727-P750 HydrophobicContact CB-CG 3.77Å |
| 728 | F | 86.3 | Confident | 73.4 | Confident | 15 Ų | 15 | 85.3 Ų | 85.3 | 7% | 0.066 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -107 | -25.2 | -167.5 | -61.4 | -60.5 | 0 | 0 | 0 | 114.3 | A431 Y443 G446 F724 P750 Q1146 | A431-F728 HydrophobicContact CB-CE1 3.81Å; A431-F728 HydrophobicContact CB-CZ 4.33Å; Y443-F728 AromaticContact CE1-CD1 3.98Å; Y443-F728 HydrophobicContact CE1-CD1 3.98Å; Y443-F728 AromaticContact CE1-CE1 3.79Å; Y443-F728 HydrophobicContact CE1-CE1 3.79Å; G446-F728 PolarHBondContact N-O 3.05Å; F724-F728 HydrophobicContact CB-CD2 4.1Å; F724-F728 HydrophobicContact CB-CE2 4.43Å; F724-F728 HydrophobicContact CD1-CD2 4.14Å; F724-F728 AromaticContact CD1-CE2 3.61Å; F724-F728 HydrophobicContact CD1-CE2 3.61Å; F724-F728 HydrophobicContact CE1-CE2 4.2Å; F724-F728 HydrophobicContact CG-CD2 4.47Å; F724-F728 HydrophobicContact CG-CE2 4.31Å; F724-F728 WeakPolarHBondContact O-CD2 3.46Å; F724-F728 PolarHBondContact O-N 3.15Å; F728-P750 HydrophobicContact CE2-CB 4.11Å; F728-P750 HydrophobicContact CZ-CB 4.16Å; F728-Q1146 HydrophobicContact CD2-CB 4.21Å; F728-Q1146 HydrophobicContact CD2-CG 3.84Å; F728-Q1146 HydrophobicContact CE2-CB 3.94Å; F728-Q1146 HydrophobicContact CE2-CG 4.05Å |
| 729 | E | 78.5 | Confident | 72.4 | Confident | 110 Ų | 110 | 78.3 Ų | 78.3 | 51% | 0.514 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -17.8 | -171.2 | -62.2 | -167.8 | 171.6 | 0 | 0 | 114.9 | E725 | E725-E729 PolarHBondContact O-N 3.33Š|
| 730 | R | 66 | Low | 72 | Confident | 91 Ų | 91 | 81.2 Ų | 81.2 | 34% | 0.343 | 41% | 0.407 | S | S | . | . | trans | -57.6 | 125.7 | -177.4 | -72 | -173.2 | -178.8 | 161.6 | 3.9 | 112.5 | A726 | A726-R730 VanDerWaalsContact CB-NH2 3.33Å; A726-R730 VanDerWaalsContact O-CD 3.25Å; A726-R730 WeakPolarHBondContact O-CD 2.92Å; A726-R730 PolarHBondContact O-NE 2.83Å | ||
| 731 | P | 56.8 | Low | 71.6 | Confident | 109 Ų | 109 | 81.3 Ų | 81.3 | 71% | 0.708 | 41% | 0.408 | S | S | * | . | trans | -69.3 | 147.4 | -177.8 | 24.9 | -32.1 | 0 | 0 | 0 | 113 | R733 | P731-R733 PolarHBondContact O-N 3.26Š| ||
| 732 | E | 53.3 | Low | 71.1 | Confident | 160 Ų | 160 | 85.5 Ų | 85.5 | 75% | 0.748 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -61.6 | -5.9 | -173.5 | -70.1 | 176.1 | 170.3 | 0 | 0 | 116 | L734 | E732-L734 PolarHBondContact O-N 3.19Š|
| 733 | R | 46.8 | Very low | 70.8 | Confident | 229 Ų | 229 | 83.2 Ų | 83.2 | 86% | 0.864 | 42% | 0.419 | S | S | * | . | trans | -93.4 | 81.2 | -179.8 | -69.6 | -175.7 | -176.5 | -178.3 | 1.9 | 110.4 | P731 | P731-R733 PolarHBondContact O-N 3.26Š| ||
| 734 | L | 49.4 | Very low | 70.4 | Confident | 129 Ų | 129 | 88.1 Ų | 88.1 | 68% | 0.675 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -168.3 | 142.9 | 152.9 | -90.5 | 137.4 | 0 | 0 | 0 | 109.9 | E732 Q738 | E732-L734 PolarHBondContact O-N 3.19Å; L734-Q738 VanDerWaalsContact CB-OE1 3.26Å |
| 735 | G | 52 | Low | 69.8 | Low | 52 Ų | 52 | 89.6 Ų | 89.6 | 54% | 0.536 | 45% | 0.452 | S | S | . | . | trans | -67.9 | 175.1 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | T737 Q738 | G735-T737 PolarHBondContact O-N 2.97Å; G735-Q738 PolarHBondContact O-N 3.11Å; G735-Q738 VanDerWaalsContact O-N 3.13Å | ||
| 736 | F | 50.1 | Low | 69.6 | Low | 217 Ų | 217 | 85.3 Ų | 85.3 | 95% | 0.952 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -49 | -23.5 | -177.1 | -98.4 | -92.4 | 0 | 0 | 0 | 115.6 | ||
| 737 | T | 51.8 | Low | 69.7 | Low | 138 Ų | 138 | 85.3 Ų | 85.3 | 85% | 0.847 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -83.3 | -6.4 | -176.2 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | G735 | G735-T737 PolarHBondContact O-N 2.97Š|
| 738 | Q | 57.6 | Low | 70 | Confident | 113 Ų | 113 | 85.4 Ų | 85.4 | 53% | 0.528 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -107.5 | 9.7 | 177.7 | -76.4 | -173.2 | -3.7 | 0 | 0 | 114.7 | L734 G735 F740 | L734-Q738 VanDerWaalsContact CB-OE1 3.26Å; G735-Q738 PolarHBondContact O-N 3.11Å; G735-Q738 VanDerWaalsContact O-N 3.13Å; Q738-F740 PolarHBondContact O-N 3.47Å |
| 739 | G | 68 | Low | 70.2 | Confident | 24 Ų | 24 | 86.3 Ų | 86.3 | 25% | 0.247 | 44% | 0.439 | C | S | . | . | trans | -75.2 | 0.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.9 | F438 L439 | F438-G739 WeakPolarHBondContact CA-O 3.43Å; L439-G739 PolarHBondContact N-O 2.95Å | ||
| 740 | F | 81.1 | Confident | 70.9 | Confident | 100 Ų | 100 | 81.2 Ų | 81.2 | 44% | 0.439 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -77.4 | 138.2 | -176.4 | -171.8 | -98.4 | 0 | 0 | 0 | 112.3 | M437 F438 Q738 L742 | M437-F740 HydrophobicContact CE-CE2 4.11Å; F438-F740 HydrophobicContact CE1-CD2 4.39Å; Q738-F740 PolarHBondContact O-N 3.47Å; F740-L742 PolarHBondContact O-N 3Å; F740-L742 VanDerWaalsContact O-N 3.13Å |
| 741 | N | 82.3 | Confident | 72 | Confident | 3 Ų | 3 | 77.6 Ų | 77.6 | 2% | 0.016 | 40% | 0.404 | C | S | . | . | trans | -75.4 | 100.7 | 176.7 | -171.8 | 0.3 | 0 | 0 | 0 | 111.7 | Y432 G436 M437 H743 W744 | Y432-N741 HydrophobicContact CD1-CB 4.08Å; Y432-N741 HydrophobicContact CE1-CB 3.56Å; G436-N741 WeakPolarHBondContact O-CB 3.35Å; G436-N741 PolarHBondContact O-ND2 3.44Å; M437-N741 WeakPolarHBondContact O-CB 3.47Å; M437-N741 PolarHBondContact O-N 3.06Å; N741-H743 PolarHBondContact O-N 2.87Å; N741-H743 VanDerWaalsContact O-N 3.13Å; N741-H743 WeakPolarHBondContact OD1-CA 3.4Å; N741-H743 PolarHBondContact OD1-N 3.46Å; N741-W744 HydrophobicContact CB-CB 4.2Å; N741-W744 WeakPolarHBondContact O-CB 3.39Å; N741-W744 PolarHBondContact O-N 3.36Å; N741-W744 PolarHBondContact OD1-N 2.97Å | ||
| 742 | L | 80.3 | Confident | 73.7 | Confident | 129 Ų | 129 | 72.5 Ų | 72.5 | 68% | 0.675 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.8 | 173.3 | -71.9 | 155.1 | 0 | 0 | 0 | 113.3 | F740 | F740-L742 PolarHBondContact O-N 3Å; F740-L742 VanDerWaalsContact O-N 3.13Å |
| 743 | H | 84.1 | Confident | 75.5 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 10% | 0.102 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 16.4 | -177.8 | -58.3 | -63.1 | 0 | 0 | 0 | 113.1 | R719 V723 N741 G745 N746 | R719-H743 PolarHBondContact NH2-ND1 3.43Å; V723-H743 HydrophobicContact CG2-CB 4.1Å; N741-H743 PolarHBondContact O-N 2.87Å; N741-H743 VanDerWaalsContact O-N 3.13Å; N741-H743 WeakPolarHBondContact OD1-CA 3.4Å; N741-H743 PolarHBondContact OD1-N 3.46Å; H743-G745 PolarHBondContact O-N 3.2Å; H743-G745 VanDerWaalsContact O-N 3.09Å; H743-N746 HydrophobicContact CB-CB 4.4Å; H743-N746 PolarHBondContact ND1-ND2 3.47Å; H743-N746 VanDerWaalsContact O-CB 3.27Å; H743-N746 WeakPolarHBondContact O-CB 3.47Å; H743-N746 PolarHBondContact O-N 3.12Å |
| 744 | W | 81.9 | Confident | 77.6 | Confident | 104 Ų | 104 | 55 Ų | 55 | 39% | 0.394 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -29.1 | -178.3 | 179.4 | 69.9 | 0 | 0 | 0 | 114.2 | A435 K564 N741 | A435-W744 PolarHBondContact O-NE1 2.81Å; K564-W744 WeakPolarHBondContact CE-O 3.15Å; K564-W744 PolarHBondContact NZ-O 3.47Å; N741-W744 HydrophobicContact CB-CB 4.2Å; N741-W744 WeakPolarHBondContact O-CB 3.39Å; N741-W744 PolarHBondContact O-N 3.36Å; N741-W744 PolarHBondContact OD1-N 2.97Å |
| 745 | G | 78 | Confident | 79.6 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 32% | 0.32 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -9.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T568 H743 | T568-G745 WeakPolarHBondContact CG2-O 3.48Å; T568-G745 PolarHBondContact OG1-O 3.44Å; H743-G745 PolarHBondContact O-N 3.2Å; H743-G745 VanDerWaalsContact O-N 3.09Å |
| 746 | N | 86.5 | Confident | 81.6 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -71.2 | 159.4 | 178.6 | -67 | 12.5 | 0 | 0 | 0 | 111.1 | R719 V723 H743 L748 F1184 | R719-N746 PolarHBondContact NE-ND2 3.19Å; R719-N746 PolarHBondContact NH2-ND2 3.06Å; R719-N746 PolarHBondContact NH2-OD1 3.17Å; V723-N746 WeakPolarHBondContact CG2-ND2 3.28Å; H743-N746 HydrophobicContact CB-CB 4.4Å; H743-N746 PolarHBondContact ND1-ND2 3.47Å; H743-N746 VanDerWaalsContact O-CB 3.27Å; H743-N746 WeakPolarHBondContact O-CB 3.47Å; H743-N746 PolarHBondContact O-N 3.12Å; N746-L748 PolarHBondContact O-N 2.99Å; N746-F1184 WeakPolarHBondContact OD1-CD1 3.42Å; N746-F1184 WeakPolarHBondContact OD1-CE1 3.42Å |
| 747 | A | 87.3 | Confident | 83.6 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -66.3 | -26.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1150 N1151 F1184 M1185 | A747-L1150 CarbonylContact O-C 3.36Å; A747-L1150 VanDerWaalsContact O-CA 3.3Å; A747-L1150 WeakPolarHBondContact O-CA 3.49Å; A747-N1151 PolarHBondContact O-N 3.44Å; A747-F1184 WeakPolarHBondContact CB-O 3.46Å; A747-F1184 PolarHBondContact N-O 3.26Å; A747-M1185 HydrophobicContact CB-CE 4.16Å; A747-M1185 HydrophobicContact CB-SD 4.27Å |
| 748 | L | 91.8 | Very high | 85.6 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 125.6 | -179.1 | -174.6 | 70.2 | 0 | 0 | 0 | 111.3 | L678 V720 V723 F724 N746 L1150 L1186 | L678-L748 HydrophobicContact CB-CD1 3.94Å; L678-L748 HydrophobicContact CD2-CD1 4.36Å; L678-L748 HydrophobicContact CD2-CD2 4.46Å; V720-L748 HydrophobicContact CB-CD2 4.36Å; V720-L748 HydrophobicContact CG1-CD2 3.79Å; V720-L748 HydrophobicContact CG2-CD2 4.14Å; V723-L748 HydrophobicContact CG1-CD2 4.21Å; V723-L748 HydrophobicContact CG1-CG 4.48Å; F724-L748 HydrophobicContact CE1-CD2 4.06Å; F724-L748 HydrophobicContact CE2-CD2 4.03Å; F724-L748 HydrophobicContact CZ-CD1 4.47Å; F724-L748 HydrophobicContact CZ-CD2 3.72Å; F724-L748 HydrophobicContact CZ-CG 4.45Å; N746-L748 PolarHBondContact O-N 2.99Å; L748-L1150 HydrophobicContact CB-CD2 4.24Å; L748-L1150 HydrophobicContact CD1-CD2 3.77Å; L748-L1150 HydrophobicContact CD1-CG 4.18Å; L748-L1186 HydrophobicContact CB-CD1 4.11Å |
| 749 | T | 91 | Very high | 87.3 | Confident | 34 Ų | 34 | 30.8 Ų | 30.8 | 21% | 0.209 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 114.4 | 171.4 | -54.9 | 0 | 0 | 0 | 0 | 109.2 | C751 G1148 R1149 | T749-C751 PolarHBondContact O-SG 3.46Å; T749-C751 VanDerWaalsContact O-SG 3.39Å; T749-G1148 CarbonylContact O-C 3.44Å; T749-G1148 VanDerWaalsContact O-CA 3.24Å; T749-G1148 WeakPolarHBondContact O-CA 3.48Å; T749-R1149 PolarHBondContact N-O 3.47Å; T749-R1149 PolarHBondContact O-N 3.22Å |
| 750 | P | 91.8 | Very high | 88.3 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 140.7 | 179.4 | -24.7 | 35 | 0 | 0 | 0 | 112.4 | Y432 V723 F724 A727 F728 | Y432-P750 HydrophobicContact CD2-CB 4.29Å; Y432-P750 HydrophobicContact CE2-CB 3.84Å; Y432-P750 HydrophobicContact CE2-CG 3.85Å; V723-P750 HydrophobicContact CG1-CG 3.62Å; F724-P750 HydrophobicContact CD1-CB 3.93Å; F724-P750 HydrophobicContact CD1-CG 3.9Å; F724-P750 HydrophobicContact CE1-CB 4.06Å; F724-P750 HydrophobicContact CE1-CG 4.2Å; A727-P750 HydrophobicContact CB-CB 3.7Å; A727-P750 HydrophobicContact CB-CG 3.77Å; F728-P750 HydrophobicContact CE2-CB 4.11Å; F728-P750 HydrophobicContact CZ-CB 4.16Å |
| 751 | C | 90.3 | Very high | 88.7 | Confident | 15 Ų | 15 | 26.8 Ų | 26.8 | 10% | 0.101 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | -61.2 | -176.9 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | A431 L668 T749 V1147 R1149 | A431-C751 WeakPolarHBondContact CB-O 3.47Å; A431-C751 PolarHBondContact N-O 3.15Å; L668-C751 HydrophobicContact CD2-CB 4.08Å; T749-C751 PolarHBondContact O-SG 3.46Å; T749-C751 VanDerWaalsContact O-SG 3.39Å; C751-V1147 PolarHBondContact N-O 2.89Å; C751-R1149 VanDerWaalsContact SG-CB 3.55Å; C751-R1149 PolarHBondContact SG-N 3.05Å; C751-R1149 VanDerWaalsContact SG-N 3.44Å |
| 752 | A | 91.5 | Very high | 89 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 166.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y443 L668 V1147 | Y443-A752 WeakPolarHBondContact OH-CA 3.36Å; L668-A752 HydrophobicContact CD2-CB 4.28Å; A752-V1147 PolarHBondContact N-O 3.49Å; A752-V1147 VanDerWaalsContact N-O 3.17Å; A752-V1147 PolarHBondContact O-N 3.23Å |
| 753 | A | 91.3 | Very high | 89.4 | Confident | 11 Ų | 11 | 30 Ų | 30 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y443 F453 V1145 | Y443-A753 PolarHBondContact OH-N 3.46Å; F453-A753 HydrophobicContact CE2-CB 4.24Å; F453-A753 HydrophobicContact CZ-CB 4.11Å; A753-V1145 WeakPolarHBondContact CA-O 3.3Å |
| 754 | L | 92 | Very high | 89.6 | Confident | 12 Ų | 12 | 32.2 Ų | 32.2 | 6% | 0.063 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.8 | -174.1 | -57.7 | -174.2 | 0 | 0 | 0 | 110.2 | L655 A658 L659 A662 V756 L1144 V1145 V1147 | L655-L754 HydrophobicContact CD1-CD1 4.22Å; A658-L754 HydrophobicContact CB-CB 4.15Å; A658-L754 HydrophobicContact CB-CD1 4.48Å; L659-L754 HydrophobicContact CD2-CD1 3.71Å; L659-L754 HydrophobicContact CG-CD1 4.19Å; A662-L754 HydrophobicContact CB-CD2 3.6Å; L754-V756 HydrophobicContact CB-CG2 4.13Å; L754-V756 PolarHBondContact O-N 2.92Å; L754-L1144 CarbonylContact O-C 3.52Å; L754-L1144 WeakPolarHBondContact O-CA 3.32Å; L754-V1145 PolarHBondContact N-O 3.07Å; L754-V1145 PolarHBondContact O-N 3.18Å; L754-V1147 HydrophobicContact CD1-CG2 3.73Å; L754-V1147 HydrophobicContact CG-CG2 3.9Å |
| 755 | A | 91.9 | Very high | 90 | Very high | 30 Ų | 30 | 31.6 Ų | 31.6 | 25% | 0.248 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 114.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | V450 Q1143 L1144 | V450-A755 HydrophobicContact CG1-CB 3.65Å; A755-Q1143 WeakPolarHBondContact CA-O 3.22Å; A755-L1144 HydrophobicContact CB-CD2 4.32Å |
| 756 | V | 93 | Very high | 90.5 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 139.7 | -177.2 | -170.7 | 0 | 0 | 0 | 0 | 109.2 | M651 L655 A658 L754 V758 E1142 Q1143 V1145 | M651-V756 HydrophobicContact CG-CG1 3.97Å; L655-V756 HydrophobicContact CB-CG1 4.05Å; L655-V756 HydrophobicContact CD1-CG2 3.88Å; A658-V756 HydrophobicContact CB-CG2 4.01Å; L754-V756 HydrophobicContact CB-CG2 4.13Å; L754-V756 PolarHBondContact O-N 2.92Å; V756-V758 HydrophobicContact CB-CG1 4.13Å; V756-V758 HydrophobicContact CG1-CG1 3.68Å; V756-V758 PolarHBondContact O-N 2.86Å; V756-E1142 WeakPolarHBondContact O-CA 3.31Å; V756-Q1143 PolarHBondContact N-O 3.42Å; V756-Q1143 PolarHBondContact O-N 2.92Å; V756-V1145 HydrophobicContact CB-CG2 3.79Å; V756-V1145 HydrophobicContact CG2-CB 4.14Å; V756-V1145 HydrophobicContact CG2-CG2 3.64Å |
| 757 | R | 92.6 | Very high | 90.4 | Very high | 102 Ų | 102 | 33.1 Ų | 33.1 | 39% | 0.385 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 110.3 | 175.6 | -165.4 | -175.8 | -174.5 | -170.1 | 0.8 | 109.2 | Q650 S654 E1117 L1140 Q1141 | Q650-R757 PolarHBondContact NE2-O 2.8Å; S654-R757 PolarHBondContact OG-N 3.26Å; R757-E1117 IonicContact CZ-OE2 3.88Å; R757-E1117 IonicContact NE-OE2 3.25Å; R757-E1117 IonicContact NH1-OE2 3.95Å; R757-E1117 PolarHBondContact NH1-OE2 3.01Å; R757-L1140 HydrophobicContact CG-CD1 3.86Å; R757-L1140 HydrophobicContact CG-CD2 4.39Å; R757-L1140 HydrophobicContact CG-CG 3.96Å; R757-L1140 VanDerWaalsContact NE-CD2 3.33Å; R757-Q1141 WeakPolarHBondContact CA-O 3.45Å |
| 758 | V | 93.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 157.3 | -172.2 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | M651 F681 V756 Q1141 Q1143 | M651-V758 HydrophobicContact CB-CG1 4.07Å; M651-V758 HydrophobicContact CG-CG1 3.59Å; M651-V758 HydrophobicContact SD-CG1 3.61Å; F681-V758 HydrophobicContact CD1-CG2 4.07Å; F681-V758 HydrophobicContact CE1-CB 4.39Å; F681-V758 HydrophobicContact CE1-CG2 3.56Å; F681-V758 HydrophobicContact CE2-CG2 4.13Å; F681-V758 HydrophobicContact CZ-CG2 3.59Å; V756-V758 HydrophobicContact CB-CG1 4.13Å; V756-V758 HydrophobicContact CG1-CG1 3.68Å; V756-V758 PolarHBondContact O-N 2.86Å; V758-Q1141 PolarHBondContact N-O 2.98Å; V758-Q1141 PolarHBondContact O-N 2.91Å; V758-Q1141 VanDerWaalsContact O-O 3.07Å; V758-Q1143 HydrophobicContact CG2-CB 4.02Å; V758-Q1143 HydrophobicContact CG2-CG 4.11Å |
| 759 | Y | 92.6 | Very high | 90 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 122 | 170.5 | -74 | -77.8 | 0 | 0 | 0 | 110.9 | F647 Q650 V1114 E1117 K1118 L1121 L1138 S1139 L1140 | F647-Y759 HydrophobicContact CD1-CD2 4.28Å; Q650-Y759 HydrophobicContact CG-CE2 4.18Å; Y759-V1114 HydrophobicContact CD2-CG1 4.14Å; Y759-V1114 HydrophobicContact CE2-CB 4.32Å; Y759-V1114 HydrophobicContact CE2-CG1 3.8Å; Y759-E1117 VanDerWaalsContact OH-C 3.26Å; Y759-E1117 WeakPolarHBondContact OH-CA 3.45Å; Y759-K1118 VanDerWaalsContact CE1-O 3.25Å; Y759-K1118 WeakPolarHBondContact CE1-O 3.24Å; Y759-K1118 PolarHBondContact OH-N 3.4Å; Y759-K1118 PolarHBondContact OH-O 3.12Å; Y759-L1121 HydrophobicContact CD1-CD1 3.88Å; Y759-L1121 HydrophobicContact CE1-CD1 3.16Å; Y759-L1138 HydrophobicContact CD1-CB 3.89Å; Y759-L1138 HydrophobicContact CG-CB 4.49Å; Y759-S1139 WeakPolarHBondContact CA-O 3.45Å; Y759-L1140 HydrophobicContact CD1-CB 3.97Å; Y759-L1140 HydrophobicContact CD1-CD1 4.32Å; Y759-L1140 HydrophobicContact CD2-CD1 4.03Å; Y759-L1140 HydrophobicContact CE1-CB 3.61Å; Y759-L1140 HydrophobicContact CE1-CD1 4.22Å; Y759-L1140 HydrophobicContact CE1-CG 4.38Å; Y759-L1140 HydrophobicContact CE2-CD1 3.93Å; Y759-L1140 HydrophobicContact CG-CD1 4.24Å |
| 760 | S | 90.7 | Very high | 89.7 | Confident | 15 Ų | 15 | 35 Ų | 35 | 11% | 0.105 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 139.9 | 160.9 | 38.1 | 0 | 0 | 0 | 0 | 110.9 | Q682 L1138 S1139 Q1143 | Q682-S760 VanDerWaalsContact NE2-CB 3.34Å; S760-L1138 VanDerWaalsContact O-CA 3.28Å; S760-L1138 WeakPolarHBondContact O-CA 3.32Å; S760-S1139 PolarHBondContact N-O 2.82Å; S760-S1139 PolarHBondContact O-N 3.18Å; S760-S1139 VanDerWaalsContact O-N 3.14Å; S760-S1139 PolarHBondContact OG-O 3.29Å; S760-S1139 VanDerWaalsContact OG-O 3.14Å; S760-S1139 PolarHBondContact OG-OG 2.93Å; S760-Q1143 VanDerWaalsContact CB-NE2 3.29Å; S760-Q1143 PolarHBondContact OG-NE2 3.04Å |
| 761 | D | 88.4 | Confident | 89.3 | Confident | 25 Ų | 25 | 38.7 Ų | 38.7 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 125.5 | 176.9 | -166 | -2.4 | 0 | 0 | 0 | 110.9 | R763 R1136 L1138 | D761-R763 IonicContact OD2-NE 2.7Å; D761-R763 IonicContact OD2-NH2 3.42Å; D761-R1136 VanDerWaalsContact OD1-CG 3.23Å; D761-R1136 WeakPolarHBondContact OD1-CG 3.48Å; D761-R1136 IonicContact OD1-NE 2.91Å; D761-R1136 PolarHBondContact OD1-NE 2.89Å; D761-R1136 IonicContact OD2-CZ 2.96Å; D761-R1136 IonicContact OD2-NE 2.71Å; D761-R1136 PolarHBondContact OD2-NE 3.29Å; D761-R1136 IonicContact OD2-NH2 3.78Å; D761-R1136 PolarHBondContact OD2-NH2 2.92Å; D761-L1138 HydrophobicContact CB-CD2 3.7Å; D761-L1138 WeakPolarHBondContact OD1-CD2 3.36Å |
| 762 | A | 89.3 | Confident | 89.2 | Confident | 45 Ų | 45 | 39.6 Ų | 39.6 | 37% | 0.372 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 120.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | R1136 V1137 | A762-R1136 WeakPolarHBondContact O-CA 3.21Å; A762-V1137 HydrophobicContact CB-CB 4.45Å; A762-V1137 PolarHBondContact N-O 3.35Å; A762-V1137 PolarHBondContact O-N 3.44Å |
| 763 | R | 87.5 | Confident | 88.9 | Confident | 155 Ų | 155 | 46.4 Ų | 46.4 | 59% | 0.585 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124.2 | 177.8 | -61.9 | -176.2 | -171.9 | -173.9 | 3.9 | 109.9 | D761 G1135 R1136 | D761-R763 IonicContact OD2-NE 2.7Å; D761-R763 IonicContact OD2-NH2 3.42Å; R763-G1135 WeakPolarHBondContact CA-O 3.32Å; R763-R1136 HydrophobicContact CG-CG 4.33Å |
| 764 | N | 88.8 | Confident | 88.7 | Confident | 68 Ų | 68 | 51.3 Ų | 51.3 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.3 | -179.8 | -61.2 | -57.5 | 0 | 0 | 0 | 109.9 | F1075 T1134 G1135 | N764-F1075 HydrophobicContact CB-CE2 4.08Å; N764-F1075 HydrophobicContact CB-CZ 4.22Å; N764-F1075 WeakPolarHBondContact ND2-CZ 3.29Å; N764-T1134 CarbonylContact O-C 3.58Å; N764-T1134 VanDerWaalsContact O-CA 3.23Å; N764-T1134 WeakPolarHBondContact O-CA 3.49Å; N764-G1135 PolarHBondContact N-O 3.29Å; N764-G1135 PolarHBondContact O-N 3.41Å |
| 765 | V | 89.9 | Confident | 88.5 | Confident | 91 Ų | 91 | 52.5 Ų | 52.5 | 55% | 0.552 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 132 | 171.9 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | S767 | V765-S767 WeakPolarHBondContact CG1-OG 3.35Å |
| 766 | L | 88.8 | Confident | 88.2 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | trans | -97.4 | 6.5 | -172.7 | -60 | 177 | 0 | 0 | 0 | 113.9 | G768 I769 I770 F1071 F1075 L1124 Y1133 | L766-G768 PolarHBondContact O-N 3.1Å; L766-I769 HydrophobicContact CD2-CD1 4.12Å; L766-I769 WeakPolarHBondContact O-CB 3.32Å; L766-I769 PolarHBondContact O-N 3.15Å; L766-I770 HydrophobicContact CB-CD1 4.13Å; L766-I770 HydrophobicContact CB-CG1 4.35Å; L766-I770 HydrophobicContact CB-CG2 4.26Å; L766-I770 HydrophobicContact CD1-CG2 4.49Å; L766-I770 PolarHBondContact O-N 3.08Å; L766-F1071 HydrophobicContact CD1-CE1 4.37Å; L766-F1071 HydrophobicContact CD1-CZ 3.99Å; L766-F1075 HydrophobicContact CD2-CD2 3.55Å; L766-F1075 HydrophobicContact CD2-CE2 3.63Å; L766-L1124 HydrophobicContact CD1-CD1 3.21Å; L766-Y1133 WeakPolarHBondContact CB-O 3.28Å; L766-Y1133 PolarHBondContact N-O 3.29Å | ||
| 767 | S | 84.3 | Confident | 87.9 | Confident | 69 Ų | 69 | 57.9 Ų | 57.9 | 48% | 0.483 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 129.7 | 175.7 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | V765 I769 D771 | V765-S767 WeakPolarHBondContact CG1-OG 3.35Å; S767-I769 PolarHBondContact O-N 2.69Å; S767-D771 WeakPolarHBondContact CA-OD2 3.41Å |
| 768 | G | 83.1 | Confident | 87.6 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 52% | 0.515 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -14.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L766 D771 S772 | L766-G768 PolarHBondContact O-N 3.1Å; G768-D771 PolarHBondContact N-OD2 2.73Å; G768-S772 WeakPolarHBondContact O-CB 3.33Å |
| 769 | I | 87.1 | Confident | 87.5 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 16% | 0.159 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -58.3 | 169 | -58.7 | 177.2 | 0 | 0 | 0 | 109.2 | L766 S767 N775 L1074 A1078 | L766-I769 HydrophobicContact CD2-CD1 4.12Å; L766-I769 WeakPolarHBondContact O-CB 3.32Å; L766-I769 PolarHBondContact O-N 3.15Å; S767-I769 PolarHBondContact O-N 2.69Å; I769-N775 WeakPolarHBondContact O-CB 3.44Å; I769-N775 PolarHBondContact O-ND2 2.7Å; I769-L1074 HydrophobicContact CG2-CD2 4.48Å; I769-L1074 HydrophobicContact CG2-CG 4.4Å; I769-A1078 HydrophobicContact CD1-CB 4.13Å; I769-A1078 HydrophobicContact CG1-CB 4.21Å; I769-A1078 HydrophobicContact CG2-CB 3.95Å |
| 770 | I | 86 | Confident | 87.4 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -84.3 | -13 | -176.3 | 64.8 | -178.5 | 0 | 0 | 0 | 113.6 | L766 L776 P1033 F1071 Y1133 | L766-I770 HydrophobicContact CB-CD1 4.13Å; L766-I770 HydrophobicContact CB-CG1 4.35Å; L766-I770 HydrophobicContact CB-CG2 4.26Å; L766-I770 HydrophobicContact CD1-CG2 4.49Å; L766-I770 PolarHBondContact O-N 3.08Å; I770-L776 WeakPolarHBondContact O-CD2 3.45Å; I770-P1033 HydrophobicContact CD1-CB 3.8Å; I770-P1033 HydrophobicContact CG1-CB 4.05Å; I770-P1033 HydrophobicContact CG1-CG 4.27Å; I770-F1071 HydrophobicContact CG2-CE2 3.72Å; I770-F1071 HydrophobicContact CG2-CZ 3.84Å; I770-Y1133 HydrophobicContact CD1-CD1 4.4Å; I770-Y1133 HydrophobicContact CD1-CD2 3.44Å; I770-Y1133 VanDerWaalsContact CD1-CD2 3.44Å; I770-Y1133 HydrophobicContact CD1-CE2 4.35Å; I770-Y1133 HydrophobicContact CD1-CG 3.47Å; I770-Y1133 VanDerWaalsContact CD1-CG 3.47Å |
| 771 | D | 83.7 | Confident | 87.4 | Confident | 80 Ų | 80 | 60 Ų | 60 | 43% | 0.428 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -88.2 | -15.5 | 177.8 | -52 | -50 | 0 | 0 | 0 | 112.2 | S767 G768 P1033 | S767-D771 WeakPolarHBondContact CA-OD2 3.41Å; G768-D771 PolarHBondContact N-OD2 2.73Å; D771-P1033 WeakPolarHBondContact OD1-CG 3.38Å |
| 772 | S | 87.5 | Confident | 87.6 | Confident | 33 Ų | 33 | 58.9 Ų | 58.9 | 23% | 0.231 | 31% | 0.31 | C | S | . | . | trans | -75.9 | 122.4 | -176.4 | 151.8 | 0 | 0 | 0 | 0 | 111.6 | G768 D774 N775 L776 | G768-S772 WeakPolarHBondContact O-CB 3.33Å; S772-D774 VanDerWaalsContact C-N 3.27Å; S772-D774 PolarHBondContact O-N 3.17Å; S772-D774 PolarHBondContact OG-N 3.09Å; S772-N775 WeakPolarHBondContact CB-ND2 3.32Å; S772-N775 WeakPolarHBondContact O-CB 3.05Å; S772-N775 PolarHBondContact O-N 3.23Å; S772-N775 WeakPolarHBondContact OG-CB 3.16Å; S772-N775 PolarHBondContact OG-N 3.38Å; S772-N775 PolarHBondContact OG-ND2 3.44Å; S772-L776 WeakPolarHBondContact O-CG 3.38Å; S772-L776 PolarHBondContact O-N 3.47Å | ||
| 773 | H | 85.3 | Confident | 87.8 | Confident | 146 Ų | 146 | 56.7 Ų | 56.7 | 68% | 0.676 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.8 | -33.7 | 177.6 | -74.5 | -53.6 | 0 | 0 | 0 | 113.9 | L776 R777 | H773-L776 PolarHBondContact O-N 2.89Å; H773-R777 PolarHBondContact O-N 3.48Å; H773-R777 VanDerWaalsContact O-N 3.12Å |
| 774 | D | 86.3 | Confident | 88.1 | Confident | 114 Ų | 114 | 49.4 Ų | 49.4 | 61% | 0.61 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -69.3 | -40.4 | 178.1 | -67 | -31.7 | 0 | 0 | 0 | 111.1 | S772 R777 K778 | S772-D774 VanDerWaalsContact C-N 3.27Å; S772-D774 PolarHBondContact O-N 3.17Å; S772-D774 PolarHBondContact OG-N 3.09Å; D774-R777 PolarHBondContact O-N 3.3Å; D774-K778 PolarHBondContact O-N 3.08Å |
| 775 | N | 88.1 | Confident | 88.4 | Confident | 37 Ų | 37 | 48.5 Ų | 48.5 | 20% | 0.198 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66 | -37.7 | 175.6 | -74.8 | -12.1 | 0 | 0 | 0 | 112 | I769 S772 K778 L779 L1074 | I769-N775 WeakPolarHBondContact O-CB 3.44Å; I769-N775 PolarHBondContact O-ND2 2.7Å; S772-N775 WeakPolarHBondContact CB-ND2 3.32Å; S772-N775 WeakPolarHBondContact O-CB 3.05Å; S772-N775 PolarHBondContact O-N 3.23Å; S772-N775 WeakPolarHBondContact OG-CB 3.16Å; S772-N775 PolarHBondContact OG-N 3.38Å; S772-N775 PolarHBondContact OG-ND2 3.44Å; N775-K778 PolarHBondContact O-N 3.25Å; N775-L779 WeakPolarHBondContact O-CB 3.35Å; N775-L779 PolarHBondContact O-N 2.9Å; N775-L1074 HydrophobicContact CB-CD1 3.74Å; N775-L1074 HydrophobicContact CB-CD2 4.41Å |
| 776 | L | 85.8 | Confident | 88.6 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.2 | -37.8 | 177.1 | -65.7 | 167.8 | 0 | 0 | 0 | 112.3 | I770 S772 H773 Q780 F1030 I1036 | I770-L776 WeakPolarHBondContact O-CD2 3.45Å; S772-L776 WeakPolarHBondContact O-CG 3.38Å; S772-L776 PolarHBondContact O-N 3.47Å; H773-L776 PolarHBondContact O-N 2.89Å; L776-Q780 PolarHBondContact O-N 3.49Å; L776-F1030 WeakPolarHBondContact CD1-O 3.22Å; L776-F1030 HydrophobicContact CD2-CB 3.95Å; L776-I1036 HydrophobicContact CD2-CD1 3.11Å; L776-I1036 HydrophobicContact CD2-CG1 4.47Å |
| 777 | R | 86 | Confident | 88.9 | Confident | 140 Ų | 140 | 44.1 Ų | 44.1 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.1 | -44.2 | 172.4 | -170.5 | -177.8 | -62.8 | 146.6 | 5.5 | 110.9 | H773 D774 L779 Q780 E781 A1029 | H773-R777 PolarHBondContact O-N 3.48Å; H773-R777 VanDerWaalsContact O-N 3.12Å; D774-R777 PolarHBondContact O-N 3.3Å; R777-L779 VanDerWaalsContact C-N 3.33Å; R777-L779 PolarHBondContact O-N 3.25Å; R777-Q780 WeakPolarHBondContact O-CB 3.44Å; R777-Q780 PolarHBondContact O-N 3.35Å; R777-E781 PolarHBondContact O-N 3.17Å; R777-A1029 HydrophobicContact CB-CB 4.49Å |
| 778 | K | 88.1 | Confident | 89.4 | Confident | 61 Ų | 61 | 40.9 Ų | 40.9 | 27% | 0.265 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.3 | -38.1 | 178.6 | -159.6 | 172.4 | -166.9 | -169.4 | 0 | 112.9 | D774 N775 Q780 E781 D782 Q1077 | D774-K778 PolarHBondContact O-N 3.08Å; N775-K778 PolarHBondContact O-N 3.25Å; K778-Q780 VanDerWaalsContact C-N 3.28Å; K778-Q780 PolarHBondContact O-N 3.12Å; K778-E781 PolarHBondContact O-N 3.01Å; K778-D782 WeakPolarHBondContact O-CB 3.3Å; K778-D782 PolarHBondContact O-N 3.17Å; K778-Q1077 VanDerWaalsContact CD-OE1 3.25Å |
| 779 | L | 91 | Very high | 90 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.3 | -39.1 | 174.9 | -176.4 | 61.6 | 0 | 0 | 0 | 112.3 | N775 R777 F783 F1030 I1036 F1067 S1070 F1071 L1074 | N775-L779 WeakPolarHBondContact O-CB 3.35Å; N775-L779 PolarHBondContact O-N 2.9Å; R777-L779 VanDerWaalsContact C-N 3.33Å; R777-L779 PolarHBondContact O-N 3.25Å; L779-F783 WeakPolarHBondContact O-CB 3.28Å; L779-F783 PolarHBondContact O-N 3.49Å; L779-F1030 HydrophobicContact CB-CD2 4.23Å; L779-F1030 HydrophobicContact CB-CE2 4.31Å; L779-F1030 HydrophobicContact CD2-CD2 3.67Å; L779-F1030 HydrophobicContact CD2-CE2 3.85Å; L779-F1030 HydrophobicContact CD2-CG 4.46Å; L779-F1030 HydrophobicContact CG-CD2 3.97Å; L779-F1030 HydrophobicContact CG-CE2 3.78Å; L779-I1036 HydrophobicContact CD2-CD1 3.77Å; L779-I1036 HydrophobicContact CD2-CG1 4.09Å; L779-F1067 HydrophobicContact CD2-CE2 4.25Å; L779-F1067 HydrophobicContact CD2-CZ 4.44Å; L779-S1070 VanDerWaalsContact CD1-C 3.48Å; L779-S1070 WeakPolarHBondContact CD1-O 3.26Å; L779-F1071 HydrophobicContact CD1-CB 4.32Å; L779-F1071 HydrophobicContact CD2-CD2 4.42Å; L779-L1074 HydrophobicContact CB-CD2 4.28Å; L779-L1074 HydrophobicContact CD1-CB 4.23Å; L779-L1074 HydrophobicContact CD1-CD2 4.32Å; L779-L1074 HydrophobicContact CD2-CD2 4.4Å |
| 780 | Q | 90.4 | Very high | 90.4 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 7% | 0.065 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.9 | -44.7 | 176.6 | -171.4 | -170.4 | 30.8 | 0 | 0 | 111.6 | L776 R777 K778 F783 M784 L1021 A1026 E1027 F1030 | L776-Q780 PolarHBondContact O-N 3.49Å; R777-Q780 WeakPolarHBondContact O-CB 3.44Å; R777-Q780 PolarHBondContact O-N 3.35Å; K778-Q780 VanDerWaalsContact C-N 3.28Å; K778-Q780 PolarHBondContact O-N 3.12Å; Q780-F783 PolarHBondContact O-N 3.03Å; Q780-M784 PolarHBondContact O-N 3.18Å; Q780-L1021 HydrophobicContact CG-CD1 4.3Å; Q780-A1026 PolarHBondContact NE2-O 2.95Å; Q780-E1027 PolarHBondContact NE2-O 2.86Å; Q780-F1030 HydrophobicContact CB-CE2 4.41Å |
| 781 | E | 89.6 | Confident | 90.7 | Very high | 93 Ų | 93 | 37.2 Ų | 37.2 | 44% | 0.435 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 176.6 | -67.1 | 177.1 | -169.9 | 0 | 0 | 111.6 | R777 K778 M784 K785 | R777-E781 PolarHBondContact O-N 3.17Å; K778-E781 PolarHBondContact O-N 3.01Å; E781-M784 PolarHBondContact O-N 3.41Å; E781-K785 WeakPolarHBondContact O-CG 3.46Å; E781-K785 PolarHBondContact O-N 3.14Å |
| 782 | D | 92.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.4 | -30.8 | -178.9 | -76.2 | -9.4 | 0 | 0 | 0 | 112.3 | K778 K785 A786 L1073 Q1077 | K778-D782 WeakPolarHBondContact O-CB 3.3Å; K778-D782 PolarHBondContact O-N 3.17Å; D782-K785 PolarHBondContact O-N 3.47Å; D782-K785 IonicContact OD1-NZ 3.99Å; D782-K785 PolarHBondContact OD1-NZ 3.21Å; D782-A786 WeakPolarHBondContact O-CB 3.47Å; D782-A786 PolarHBondContact O-N 2.61Å; D782-L1073 HydrophobicContact CB-CD2 3.94Å; D782-L1073 WeakPolarHBondContact OD2-CD2 3.41Å; D782-Q1077 PolarHBondContact OD2-NE2 2.95Å |
| 783 | F | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.5 | -47.4 | 169.7 | 171.3 | -108.5 | 0 | 0 | 0 | 111.9 | L779 Q780 K785 A786 L787 L1021 T1063 A1066 F1067 S1070 | L779-F783 WeakPolarHBondContact O-CB 3.28Å; L779-F783 PolarHBondContact O-N 3.49Å; Q780-F783 PolarHBondContact O-N 3.03Å; F783-K785 VanDerWaalsContact C-N 3.33Å; F783-K785 PolarHBondContact O-N 2.99Å; F783-A786 PolarHBondContact O-N 3.49Å; F783-L787 HydrophobicContact CE1-CD2 4.33Å; F783-L787 HydrophobicContact CZ-CD2 4.16Å; F783-L787 VanDerWaalsContact O-CB 3.28Å; F783-L787 WeakPolarHBondContact O-CB 3.41Å; F783-L787 PolarHBondContact O-N 3.43Å; F783-L1021 HydrophobicContact CD1-CD1 3.55Å; F783-L1021 HydrophobicContact CE1-CB 4.34Å; F783-L1021 HydrophobicContact CE1-CD1 3.66Å; F783-T1063 HydrophobicContact CE2-CG2 4.37Å; F783-T1063 HydrophobicContact CZ-CG2 3.95Å; F783-A1066 HydrophobicContact CD2-CB 4.16Å; F783-A1066 HydrophobicContact CE2-CB 3.9Å; F783-F1067 HydrophobicContact CD2-CB 3.98Å; F783-F1067 HydrophobicContact CD2-CD2 4.15Å; F783-F1067 HydrophobicContact CE2-CB 3.88Å; F783-S1070 VanDerWaalsContact CA-CB 3.49Å |
| 784 | M | 93.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -38.4 | 178 | -73.3 | -62.7 | -66.5 | 0 | 0 | 112.1 | Q780 E781 T788 F975 P976 A1017 L1018 L1021 | Q780-M784 PolarHBondContact O-N 3.18Å; E781-M784 PolarHBondContact O-N 3.41Å; M784-T788 WeakPolarHBondContact O-CB 3.48Å; M784-T788 PolarHBondContact O-N 2.94Å; M784-T788 PolarHBondContact O-OG1 3.16Å; M784-F975 HydrophobicContact CE-CB 4.41Å; M784-F975 HydrophobicContact CE-CD2 3.79Å; M784-P976 HydrophobicContact CB-CG 4.31Å; M784-A1017 HydrophobicContact CE-CB 3.81Å; M784-L1018 HydrophobicContact CE-CD2 3.78Å; M784-L1018 HydrophobicContact CE-CG 4.36Å; M784-L1021 HydrophobicContact CG-CD1 4.23Å; M784-L1021 HydrophobicContact SD-CB 3.96Å; M784-L1021 HydrophobicContact SD-CD1 3.95Å; M784-L1021 HydrophobicContact SD-CD2 4.07Å; M784-L1021 HydrophobicContact SD-CG 4.22Å |
| 785 | K | 94.3 | Very high | 91.6 | Very high | 48 Ų | 48 | 23.9 Ų | 23.9 | 21% | 0.209 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.6 | -46.7 | 175.6 | -66.4 | 173.9 | -157.3 | 152.5 | 0 | 111.9 | E781 D782 F783 T788 W789 P976 W979 L1089 | E781-K785 WeakPolarHBondContact O-CG 3.46Å; E781-K785 PolarHBondContact O-N 3.14Å; D782-K785 PolarHBondContact O-N 3.47Å; D782-K785 IonicContact OD1-NZ 3.99Å; D782-K785 PolarHBondContact OD1-NZ 3.21Å; F783-K785 VanDerWaalsContact C-N 3.33Å; F783-K785 PolarHBondContact O-N 2.99Å; K785-T788 PolarHBondContact O-N 3.31Å; K785-W789 WeakPolarHBondContact O-CB 3.37Å; K785-W789 PolarHBondContact O-N 2.78Å; K785-P976 HydrophobicContact CG-CB 3.95Å; K785-P976 HydrophobicContact CG-CG 3.83Å; K785-W979 HydrophobicContact CB-CG 4.26Å; K785-W979 HydrophobicContact CG-CB 4.49Å; K785-W979 HydrophobicContact CG-CG 4.06Å; K785-W979 PolarHBondContact O-NE1 3Å; K785-L1089 HydrophobicContact CB-CD2 4.43Å; K785-L1089 HydrophobicContact CD-CD2 3.73Å |
| 786 | A | 95.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D782 F783 W789 L790 A1066 F1069 L1093 | D782-A786 WeakPolarHBondContact O-CB 3.47Å; D782-A786 PolarHBondContact O-N 2.61Å; F783-A786 PolarHBondContact O-N 3.49Å; A786-W789 PolarHBondContact O-N 3.31Å; A786-L790 PolarHBondContact O-N 2.96Å; A786-A1066 HydrophobicContact CB-CB 4.46Å; A786-F1069 HydrophobicContact CB-CB 4.22Å; A786-L1093 HydrophobicContact CB-CD2 4.39Å |
| 787 | L | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.6 | -46 | 177.2 | -178.3 | 61.4 | 0 | 0 | 0 | 111.4 | F783 W789 L790 L791 A1017 C1020 A1066 | F783-L787 HydrophobicContact CE1-CD2 4.33Å; F783-L787 HydrophobicContact CZ-CD2 4.16Å; F783-L787 VanDerWaalsContact O-CB 3.28Å; F783-L787 WeakPolarHBondContact O-CB 3.41Å; F783-L787 PolarHBondContact O-N 3.43Å; L787-W789 VanDerWaalsContact C-N 3.3Å; L787-W789 PolarHBondContact O-N 3.42Å; L787-L790 PolarHBondContact O-N 3.04Å; L787-L791 HydrophobicContact CD1-CD1 4.4Å; L787-L791 HydrophobicContact CD1-CG 4.31Å; L787-L791 HydrophobicContact CG-CD1 4.14Å; L787-L791 HydrophobicContact CG-CG 4.47Å; L787-L791 WeakPolarHBondContact O-CB 3.1Å; L787-L791 VanDerWaalsContact O-CG 3.28Å; L787-L791 WeakPolarHBondContact O-CG 3.37Å; L787-L791 PolarHBondContact O-N 2.73Å; L787-A1017 HydrophobicContact CD2-CB 4.09Å; L787-C1020 HydrophobicContact CD2-CB 3.67Å; L787-A1066 HydrophobicContact CB-CB 3.74Å; L787-A1066 HydrophobicContact CD1-CB 3.86Å; L787-A1066 HydrophobicContact CG-CB 4.41Å |
| 788 | T | 94.4 | Very high | 91 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 177.6 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | M784 K785 L792 F975 F980 | M784-T788 WeakPolarHBondContact O-CB 3.48Å; M784-T788 PolarHBondContact O-N 2.94Å; M784-T788 PolarHBondContact O-OG1 3.16Å; K785-T788 PolarHBondContact O-N 3.31Å; T788-L792 HydrophobicContact CG2-CD1 4.41Å; T788-L792 WeakPolarHBondContact O-CG 3.3Å; T788-L792 PolarHBondContact O-N 2.82Å; T788-L792 VanDerWaalsContact O-N 3.14Å; T788-F975 HydrophobicContact CG2-CE2 4.41Å; T788-F975 HydrophobicContact CG2-CZ 4.17Å; T788-F980 HydrophobicContact CG2-CB 4.04Å; T788-F980 HydrophobicContact CG2-CD2 3.59Å; T788-F980 HydrophobicContact CG2-CG 4.3Å |
| 789 | W | 95.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 1% | 0.011 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 176.9 | -176.7 | 95.9 | 0 | 0 | 0 | 112.3 | K785 A786 L787 L792 R793 W979 F987 F1069 F1090 L1093 E1094 E1097 | K785-W789 WeakPolarHBondContact O-CB 3.37Å; K785-W789 PolarHBondContact O-N 2.78Å; A786-W789 PolarHBondContact O-N 3.31Å; L787-W789 VanDerWaalsContact C-N 3.3Å; L787-W789 PolarHBondContact O-N 3.42Å; W789-L792 PolarHBondContact O-N 3.06Å; W789-R793 VanDerWaalsContact CH2-CD 3.46Å; W789-R793 WeakPolarHBondContact O-CB 3.15Å; W789-R793 PolarHBondContact O-N 2.95Å; W789-W979 HydrophobicContact CB-CZ2 4.47Å; W789-F987 AromaticContact CD1-CE2 3.7Å; W789-F987 HydrophobicContact CD2-CE2 4.4Å; W789-F987 HydrophobicContact CD2-CZ 4.19Å; W789-F987 AromaticContact CE2-CZ 3.59Å; W789-F987 HydrophobicContact CG-CE2 4.18Å; W789-F987 HydrophobicContact CG-CZ 4.43Å; W789-F987 AromaticContact CZ2-CZ 3.93Å; W789-F987 HydrophobicContact CZ2-CZ 3.93Å; W789-F987 AromaticContact NE1-CE2 3.63Å; W789-F987 AromaticContact NE1-CZ 3.49Å; W789-F1069 HydrophobicContact CZ3-CE2 4.24Å; W789-F1090 AromaticContact CD1-CD2 3.67Å; W789-F1090 AromaticContact CD1-CE2 3.6Å; W789-F1090 AromaticContact NE1-CD2 3.51Å; W789-F1090 AromaticContact NE1-CE2 3.29Å; W789-F1090 VanDerWaalsContact NE1-CE2 3.29Å; W789-F1090 AromaticContact NE1-CZ 3.75Å; W789-L1093 HydrophobicContact CB-CD1 3.95Å; W789-L1093 HydrophobicContact CD2-CB 3.99Å; W789-L1093 HydrophobicContact CD2-CD1 4.13Å; W789-L1093 HydrophobicContact CE3-CB 4.29Å; W789-L1093 HydrophobicContact CG-CB 4.45Å; W789-L1093 HydrophobicContact CG-CD1 3.79Å; W789-L1093 HydrophobicContact CH2-CB 4.39Å; W789-L1093 WeakPolarHBondContact CH2-O 3.33Å; W789-L1093 HydrophobicContact CZ2-CB 4.1Å; W789-L1093 HydrophobicContact CZ3-CB 4.47Å; W789-E1094 HydrophobicContact CZ2-CG 3.85Å; W789-E1097 HydrophobicContact CH2-CB 4.07Å; W789-E1097 HydrophobicContact CH2-CG 4.47Å |
| 790 | L | 94.8 | Very high | 89.2 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | 178.6 | -79.2 | 170 | 0 | 0 | 0 | 112.7 | A786 L787 R793 H794 L1062 Q1065 A1066 F1069 | A786-L790 PolarHBondContact O-N 2.96Å; L787-L790 PolarHBondContact O-N 3.04Å; L790-R793 PolarHBondContact O-N 3.08Å; L790-H794 WeakPolarHBondContact O-CB 3.42Å; L790-H794 PolarHBondContact O-N 2.91Å; L790-L1062 HydrophobicContact CB-CD2 4.39Å; L790-Q1065 HydrophobicContact CD1-CB 4.08Å; L790-Q1065 HydrophobicContact CD1-CG 3.97Å; L790-A1066 VanDerWaalsContact CD1-CA 3.48Å; L790-A1066 HydrophobicContact CD1-CB 3.74Å; L790-F1069 HydrophobicContact CD1-CD2 4.39Å; L790-F1069 HydrophobicContact CD2-CE2 4.22Å |
| 791 | L | 93.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.2 | -48 | 175.8 | -71.9 | 174 | 0 | 0 | 0 | 111.5 | L787 R793 H794 C795 L954 W958 V1016 L1059 L1062 | L787-L791 HydrophobicContact CD1-CD1 4.4Å; L787-L791 HydrophobicContact CD1-CG 4.31Å; L787-L791 HydrophobicContact CG-CD1 4.14Å; L787-L791 HydrophobicContact CG-CG 4.47Å; L787-L791 WeakPolarHBondContact O-CB 3.1Å; L787-L791 VanDerWaalsContact O-CG 3.28Å; L787-L791 WeakPolarHBondContact O-CG 3.37Å; L787-L791 PolarHBondContact O-N 2.73Å; L791-R793 PolarHBondContact O-N 3.18Å; L791-H794 PolarHBondContact O-N 2.82Å; L791-C795 PolarHBondContact O-N 2.73Å; L791-C795 VanDerWaalsContact O-N 3.16Å; L791-C795 PolarHBondContact O-SG 3.48Å; L791-L954 HydrophobicContact CB-CD2 4.27Å; L791-L954 HydrophobicContact CD2-CD2 4.07Å; L791-W958 HydrophobicContact CD2-CE3 4.36Å; L791-W958 HydrophobicContact CD2-CZ3 3.98Å; L791-V1016 HydrophobicContact CD1-CG1 4.35Å; L791-L1059 HydrophobicContact CD2-CD1 4.14Å; L791-L1062 HydrophobicContact CD2-CD1 4.43Å |
| 792 | L | 91.8 | Very high | 86 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 176.9 | -73.3 | 174 | 0 | 0 | 0 | 111.7 | T788 W789 C795 V796 F952 F980 L984 F987 | T788-L792 HydrophobicContact CG2-CD1 4.41Å; T788-L792 WeakPolarHBondContact O-CG 3.3Å; T788-L792 PolarHBondContact O-N 2.82Å; T788-L792 VanDerWaalsContact O-N 3.14Å; W789-L792 PolarHBondContact O-N 3.06Å; L792-C795 PolarHBondContact O-N 3.32Å; L792-V796 WeakPolarHBondContact O-CG2 3.44Å; L792-V796 PolarHBondContact O-N 2.97Å; L792-F952 HydrophobicContact CD2-CB 4.46Å; L792-F952 HydrophobicContact CD2-CD1 3.74Å; L792-F952 HydrophobicContact CD2-CE1 4.4Å; L792-F952 HydrophobicContact CD2-CG 4.37Å; L792-F980 HydrophobicContact CD1-CD2 4.05Å; L792-F980 HydrophobicContact CD1-CE2 4.23Å; L792-F980 HydrophobicContact CD2-CE2 3.88Å; L792-F980 HydrophobicContact CG-CE2 4.34Å; L792-L984 HydrophobicContact CD1-CB 4.31Å; L792-L984 HydrophobicContact CD2-CD1 3.78Å; L792-F987 HydrophobicContact CB-CD2 3.89Å; L792-F987 HydrophobicContact CB-CE2 4.21Å |
| 793 | R | 90.9 | Very high | 83.6 | Confident | 48 Ų | 48 | 39.9 Ų | 39.9 | 18% | 0.181 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | 177.1 | 179.4 | 172.7 | 174.1 | -100.6 | 2.3 | 112.4 | W789 L790 L791 C795 V796 Q797 F987 E1097 | W789-R793 VanDerWaalsContact CH2-CD 3.46Å; W789-R793 WeakPolarHBondContact O-CB 3.15Å; W789-R793 PolarHBondContact O-N 2.95Å; L790-R793 PolarHBondContact O-N 3.08Å; L791-R793 PolarHBondContact O-N 3.18Å; R793-C795 VanDerWaalsContact C-N 3.27Å; R793-C795 PolarHBondContact O-N 2.82Å; R793-V796 PolarHBondContact O-N 3.31Å; R793-V796 VanDerWaalsContact O-N 3.16Å; R793-Q797 HydrophobicContact CG-CG 4.5Å; R793-Q797 PolarHBondContact O-N 3.03Å; R793-F987 HydrophobicContact CB-CE1 4.05Å; R793-F987 HydrophobicContact CB-CE2 4.37Å; R793-F987 HydrophobicContact CB-CZ 3.77Å; R793-F987 HydrophobicContact CG-CE1 4.26Å; R793-F987 HydrophobicContact CG-CZ 4.33Å; R793-E1097 IonicContact CZ-OE1 3.59Å; R793-E1097 IonicContact NH1-OE1 2.7Å; R793-E1097 PolarHBondContact NH1-OE1 3.17Å; R793-E1097 IonicContact NH1-OE2 3.52Å; R793-E1097 PolarHBondContact NH1-OE2 3.25Å; R793-E1097 IonicContact NH2-OE1 2.86Å; R793-E1097 PolarHBondContact NH2-OE1 3.4Å |
| 794 | H | 89.9 | Confident | 80.6 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 19% | 0.19 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.2 | -42 | 178.2 | 179 | 81.7 | 0 | 0 | 0 | 111.2 | L790 L791 V796 Q797 R798 W958 L1062 | L790-H794 WeakPolarHBondContact O-CB 3.42Å; L790-H794 PolarHBondContact O-N 2.91Å; L791-H794 PolarHBondContact O-N 2.82Å; H794-V796 PolarHBondContact O-N 3.4Å; H794-Q797 PolarHBondContact O-N 3.19Å; H794-R798 WeakPolarHBondContact O-CB 3.45Å; H794-R798 PolarHBondContact O-N 3.27Å; H794-W958 AromaticContact CD2-CH2 3.68Å; H794-W958 AromaticContact NE2-CH2 3.6Å; H794-L1062 HydrophobicContact CB-CD1 4.05Å |
| 795 | C | 87.9 | Confident | 77.7 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 175.8 | -63.9 | 0 | 0 | 0 | 0 | 112.5 | L791 L792 R793 Q797 R798 Q799 A951 F952 | L791-C795 PolarHBondContact O-N 2.73Å; L791-C795 VanDerWaalsContact O-N 3.16Å; L791-C795 PolarHBondContact O-SG 3.48Å; L792-C795 PolarHBondContact O-N 3.32Å; R793-C795 VanDerWaalsContact C-N 3.27Å; R793-C795 PolarHBondContact O-N 2.82Å; C795-Q797 PolarHBondContact O-N 3.25Å; C795-R798 PolarHBondContact O-N 3.14Å; C795-Q799 PolarHBondContact O-N 2.98Å; C795-Q799 VanDerWaalsContact O-N 3.14Å; C795-A951 CarbonylContact C-O 3.58Å; C795-A951 WeakPolarHBondContact CB-O 3.38Å; C795-F952 HydrophobicContact CB-CD1 4.35Å; C795-F952 PolarHBondContact SG-O 3.27Å; C795-F952 VanDerWaalsContact SG-O 3.39Å |
| 796 | V | 84.3 | Confident | 74.5 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 176.1 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | L792 R793 H794 Q799 K800 F952 F987 | L792-V796 WeakPolarHBondContact O-CG2 3.44Å; L792-V796 PolarHBondContact O-N 2.97Å; R793-V796 PolarHBondContact O-N 3.31Å; R793-V796 VanDerWaalsContact O-N 3.16Å; H794-V796 PolarHBondContact O-N 3.4Å; V796-Q799 PolarHBondContact O-N 3.09Å; V796-K800 HydrophobicContact CG1-CD 4.43Å; V796-K800 PolarHBondContact O-N 3.45Å; V796-K800 VanDerWaalsContact O-N 3.1Å; V796-F952 HydrophobicContact CG2-CD1 4.22Å; V796-F952 HydrophobicContact CG2-CE1 3.37Å; V796-F952 HydrophobicContact CG2-CZ 3.86Å; V796-F987 HydrophobicContact CG2-CB 4.01Å; V796-F987 HydrophobicContact CG2-CD1 4.3Å; V796-F987 HydrophobicContact CG2-CG 4.38Å |
| 797 | Q | 83 | Confident | 71.3 | Confident | 94 Ų | 94 | 62.9 Ų | 62.9 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 178.7 | -74.2 | -177.8 | -25.1 | 0 | 0 | 112 | R793 H794 C795 Q799 K800 G801 | R793-Q797 HydrophobicContact CG-CG 4.5Å; R793-Q797 PolarHBondContact O-N 3.03Å; H794-Q797 PolarHBondContact O-N 3.19Å; C795-Q797 PolarHBondContact O-N 3.25Å; Q797-Q799 VanDerWaalsContact C-N 3.3Å; Q797-Q799 PolarHBondContact O-N 3.31Å; Q797-K800 PolarHBondContact O-N 3.16Å; Q797-G801 PolarHBondContact O-N 3.4Å |
| 798 | R | 82 | Confident | 68.3 | Low | 132 Ų | 132 | 69.6 Ų | 69.6 | 50% | 0.498 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.7 | -40.9 | 177.2 | -173.1 | 178.7 | 176.2 | -158.3 | -1.1 | 111.7 | H794 C795 L802 | H794-R798 WeakPolarHBondContact O-CB 3.45Å; H794-R798 PolarHBondContact O-N 3.27Å; C795-R798 PolarHBondContact O-N 3.14Å; R798-L802 PolarHBondContact O-N 2.98Å; R798-L802 VanDerWaalsContact O-N 3.1Å |
| 799 | Q | 72.3 | Confident | 65.2 | Low | 68 Ų | 68 | 72.8 Ų | 72.8 | 32% | 0.318 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 173.8 | -91.9 | -149.6 | -24.4 | 0 | 0 | 113.2 | C795 V796 Q797 G801 L802 L803 A951 | C795-Q799 PolarHBondContact O-N 2.98Å; C795-Q799 VanDerWaalsContact O-N 3.14Å; V796-Q799 PolarHBondContact O-N 3.09Å; Q797-Q799 VanDerWaalsContact C-N 3.3Å; Q797-Q799 PolarHBondContact O-N 3.31Å; Q799-G801 VanDerWaalsContact C-N 3.32Å; Q799-G801 PolarHBondContact O-N 2.9Å; Q799-L802 WeakPolarHBondContact O-CB 3.22Å; Q799-L802 PolarHBondContact O-N 3.41Å; Q799-L802 VanDerWaalsContact O-N 3.16Å; Q799-L803 PolarHBondContact O-N 2.8Å; Q799-A951 VanDerWaalsContact CD-CA 3.41Å; Q799-A951 HydrophobicContact CG-CB 4.26Å; Q799-A951 VanDerWaalsContact NE2-CA 3.26Å |
| 800 | K | 67.4 | Low | 61.9 | Low | 105 Ų | 105 | 77.9 Ų | 77.9 | 46% | 0.457 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62 | -39 | 178.8 | -72.5 | -177 | 179.5 | -179.2 | 0 | 112.2 | V796 Q797 L803 W804 A990 | V796-K800 HydrophobicContact CG1-CD 4.43Å; V796-K800 PolarHBondContact O-N 3.45Å; V796-K800 VanDerWaalsContact O-N 3.1Å; Q797-K800 PolarHBondContact O-N 3.16Å; K800-L803 PolarHBondContact O-N 3.25Å; K800-W804 PolarHBondContact O-N 3.3Å; K800-A990 PolarHBondContact NZ-O 3.03Å |
| 801 | G | 59.6 | Low | 58.7 | Low | 48 Ų | 48 | 82 Ų | 82 | 50% | 0.495 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q797 Q799 S805 | Q797-G801 PolarHBondContact O-N 3.4Å; Q799-G801 VanDerWaalsContact C-N 3.32Å; Q799-G801 PolarHBondContact O-N 2.9Å; G801-S805 PolarHBondContact O-N 3.28Å |
| 802 | L | 54.7 | Low | 55.6 | Low | 126 Ų | 126 | 90.2 Ų | 90.2 | 66% | 0.66 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.8 | -36.6 | 174.6 | -140.2 | 82.9 | 0 | 0 | 0 | 112.1 | R798 Q799 S805 S806 | R798-L802 PolarHBondContact O-N 2.98Å; R798-L802 VanDerWaalsContact O-N 3.1Å; Q799-L802 WeakPolarHBondContact O-CB 3.22Å; Q799-L802 PolarHBondContact O-N 3.41Å; Q799-L802 VanDerWaalsContact O-N 3.16Å; L802-S805 PolarHBondContact O-N 3.49Å; L802-S806 PolarHBondContact O-N 2.95Å |
| 803 | L | 41 | Very low | 52.3 | Low | 103 Ų | 103 | 93.7 Ų | 93.7 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 177.1 | -124.1 | 99.7 | 0 | 0 | 0 | 111.9 | Q799 K800 S805 S806 E807 | Q799-L803 PolarHBondContact O-N 2.8Å; K800-L803 PolarHBondContact O-N 3.25Å; L803-S805 VanDerWaalsContact C-N 3.3Å; L803-S805 PolarHBondContact O-N 2.9Å; L803-S806 PolarHBondContact O-N 3.43Å; L803-E807 PolarHBondContact O-N 3.46Å |
| 804 | W | 31.6 | Very low | 49.1 | Very low | 208 Ų | 208 | 95 Ų | 95 | 79% | 0.788 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.5 | -30.8 | 176.5 | -84.8 | 32.4 | 0 | 0 | 0 | 113.1 | K800 S806 | K800-W804 PolarHBondContact O-N 3.3Å; W804-S806 VanDerWaalsContact C-N 3.28Å; W804-S806 PolarHBondContact O-N 2.85Å |
| 805 | S | 32.1 | Very low | 46.1 | Very low | 95 Ų | 95 | 100.1 Ų | 100.1 | 66% | 0.664 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.5 | -20.4 | 172.4 | -173.5 | 0 | 0 | 0 | 0 | 113.1 | G801 L802 L803 | G801-S805 PolarHBondContact O-N 3.28Å; L802-S805 PolarHBondContact O-N 3.49Å; L803-S805 VanDerWaalsContact C-N 3.3Å; L803-S805 PolarHBondContact O-N 2.9Å |
| 806 | S | 27.4 | Very low | 43 | Very low | 83 Ų | 83 | 109.1 Ų | 109.1 | 58% | 0.58 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -92.3 | -24.3 | -176.7 | -163.6 | 0 | 0 | 0 | 0 | 113.2 | L802 L803 W804 G809 | L802-S806 PolarHBondContact O-N 2.95Å; L803-S806 PolarHBondContact O-N 3.43Å; W804-S806 VanDerWaalsContact C-N 3.28Å; W804-S806 PolarHBondContact O-N 2.85Å; S806-G809 PolarHBondContact O-N 3.48Å |
| 807 | E | 29 | Very low | 40.1 | Very low | 149 Ų | 149 | 114 Ų | 114 | 70% | 0.696 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76.3 | -18.8 | 179 | -76 | -173.9 | 159.4 | 0 | 0 | 114 | L803 G809 | L803-E807 PolarHBondContact O-N 3.46Å; E807-G809 VanDerWaalsContact C-N 3.29Å |
| 808 | V | 30.5 | Very low | 37.2 | Very low | 140 Ų | 140 | 118.2 Ų | 118.2 | 85% | 0.848 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -7.9 | 172.9 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 809 | G | 29.9 | Very low | 34.4 | Very low | 68 Ų | 68 | 117.2 Ų | 117.2 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -110.9 | 4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | S806 E807 | S806-G809 PolarHBondContact O-N 3.48Å; E807-G809 VanDerWaalsContact C-N 3.29Å |
| 810 | S | 27.1 | Very low | 32.1 | Very low | 110 Ų | 110 | 119.5 Ų | 119.5 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | -122.5 | 62 | -173.5 | -174.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 811 | A | 27.9 | Very low | 30.2 | Very low | 88 Ų | 88 | 123.7 Ų | 123.7 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -139.7 | 106.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 812 | I | 27 | Very low | 28.4 | Very low | 175 Ų | 175 | 130 Ų | 130 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | 139.5 | 104.9 | 159.6 | -71 | 155.3 | 0 | 0 | 0 | 108.5 | ||||
| 813 | G | 22.5 | Very low | 26.8 | Very low | 73 Ų | 73 | 127.3 Ų | 127.3 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -85 | 154.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 814 | G | 23.6 | Very low | 25.9 | Very low | 75 Ų | 75 | 130.6 Ų | 130.6 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 89.1 | 109.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 815 | V | 26.6 | Very low | 25.4 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | 167.5 | 138.7 | 111.5 | 162.2 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 816 | K | 24.1 | Very low | 25 | Very low | 192 Ų | 192 | 127.8 Ų | 127.8 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -71.1 | 142.8 | 177.1 | -66 | 172.9 | 174.4 | 176.7 | 0 | 112.1 | ||||
| 817 | S | 23.2 | Very low | 24.7 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | 163 | 134.3 | 117.3 | 49.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 818 | Q | 22.5 | Very low | 24.4 | Very low | 183 Ų | 183 | 133 Ų | 133 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | 51.9 | 121.1 | 143.6 | -66.4 | -177.5 | -10.6 | 0 | 0 | 123.6 | ||||
| 819 | S | 23.4 | Very low | 24.1 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 14 | 127.7 | 143.9 | 67.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 820 | S | 24 | Very low | 23.8 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | -174.8 | 137.5 | 111.2 | 52.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 821 | Q | 25.9 | Very low | 23.6 | Very low | 193 Ų | 193 | 135 Ų | 135 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -60.1 | 132.6 | 167.2 | -64.9 | 168.1 | -31.2 | 0 | 0 | 110.8 | ||||
| 822 | L | 21.8 | Very low | 23.3 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | -165.1 | 147.6 | 129.1 | -150.5 | 68.7 | 0 | 0 | 0 | 110.6 | |||||
| 823 | A | 22.3 | Very low | 23.1 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 59% | 0.587 | 81% | 0.807 | S | S | * | * | trans | -78.1 | 171.7 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 824 | H | 22.5 | Very low | 23.1 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | 81 | 106.6 | 162.1 | -61.2 | -70.3 | 0 | 0 | 0 | 117.4 | ||||
| 825 | T | 20.9 | Very low | 23.1 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | -166.5 | 137.6 | 100.6 | 22.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 826 | T | 24.1 | Very low | 23 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 63% | 0.626 | 80% | 0.797 | S | S | * | * | trans | -57.9 | 142 | 177.6 | -33.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 827 | F | 21.2 | Very low | 22.8 | Very low | 212 Ų | 212 | 138.6 Ų | 138.6 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -147 | 115.9 | 143.7 | -114.6 | -83 | 0 | 0 | 0 | 110.7 | ||||
| 828 | N | 22.1 | Very low | 22.8 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 146.4 | 176 | -63.8 | -35.8 | 0 | 0 | 0 | 111 | ||
| 829 | P | 24.9 | Very low | 22.7 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 150.3 | 149.9 | 30.8 | -29.2 | 0 | 0 | 0 | 110.1 | ||
| 830 | P | 23.6 | Very low | 22.7 | Very low | 131 Ų | 131 | 141 Ų | 141 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 135.6 | -170.9 | 29.8 | -33 | 0 | 0 | 0 | 111.5 | ||
| 831 | S | 21.4 | Very low | 22.6 | Very low | 119 Ų | 119 | 140 Ų | 140 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 123.4 | 167.4 | -46.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 832 | E | 22.8 | Very low | 22.5 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 126.1 | 145.5 | -86.5 | -176.8 | 162.6 | 0 | 0 | 107.2 | V834 | E832-V834 PolarHBondContact O-N 2.98Š|
| 833 | A | 22.2 | Very low | 22.5 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -72.9 | 111.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 834 | V | 22.6 | Very low | 22.4 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | trans | -102.7 | 108.8 | 152.7 | -177.1 | 0 | 0 | 0 | 0 | 106.1 | E832 V836 | E832-V834 PolarHBondContact O-N 2.98Å; V834-V836 HydrophobicContact CG1-CG2 3.82Å; V834-V836 PolarHBondContact O-N 3.22Å | ||
| 835 | V | 23.1 | Very low | 22.3 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 76% | 0.758 | 81% | 0.807 | S | S | * | * | trans | -74.6 | 102.8 | 168.2 | 176.6 | 0 | 0 | 0 | 0 | 106.6 | E837 | V835-E837 HydrophobicContact CG1-CG 4.37Š| ||
| 836 | V | 23.9 | Very low | 22.3 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | -105.2 | 98.2 | 160.1 | 178.9 | 0 | 0 | 0 | 0 | 106.2 | V834 S838 | V834-V836 HydrophobicContact CG1-CG2 3.82Å; V834-V836 PolarHBondContact O-N 3.22Å; V836-S838 PolarHBondContact O-N 3.38Å | ||
| 837 | E | 21.4 | Very low | 22.3 | Very low | 170 Ų | 170 | 153.6 Ų | 153.6 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -64.5 | 115.2 | 161.9 | -83.6 | -177.7 | 151.1 | 0 | 0 | 108.1 | V835 | V835-E837 HydrophobicContact CG1-CG 4.37Š| ||
| 838 | S | 22.2 | Very low | 22.2 | Very low | 107 Ų | 107 | 150.5 Ų | 150.5 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -99.7 | 87.7 | 173.4 | 38.4 | 0 | 0 | 0 | 0 | 108.7 | V836 | V836-S838 PolarHBondContact O-N 3.38Š| ||
| 839 | N | 21.3 | Very low | 22.3 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -110.2 | 84.2 | 161.5 | -83.5 | -22.6 | 0 | 0 | 0 | 108.2 | ||||
| 840 | M | 22.3 | Very low | 22.2 | Very low | 198 Ų | 198 | 149.4 Ų | 149.4 | 98% | 0.975 | 82% | 0.815 | S | S | * | * | trans | -96.5 | 88.2 | 165.8 | -146.7 | -172.6 | 174.2 | 0 | 0 | 108.4 | ||||
| 841 | S | 21.6 | Very low | 22.3 | Very low | 96 Ų | 96 | 148.3 Ų | 148.3 | 67% | 0.671 | 81% | 0.811 | S | S | * | * | trans | -78.6 | 124.4 | 168.8 | 53.8 | 0 | 0 | 0 | 0 | 110 | L843 | S841-L843 PolarHBondContact O-N 3.42Š| ||
| 842 | S | 24.5 | Very low | 22.3 | Very low | 116 Ų | 116 | 150.4 Ų | 150.4 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -54.4 | 124.8 | 166.7 | 56 | 0 | 0 | 0 | 0 | 112 | ||||
| 843 | L | 21.6 | Very low | 22.3 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -143.7 | 145.6 | 163.6 | -94.4 | 167 | 0 | 0 | 0 | 112.3 | S841 | S841-L843 PolarHBondContact O-N 3.42Š| ||
| 844 | R | 21.2 | Very low | 22.3 | Very low | 239 Ų | 239 | 148.2 Ų | 148.2 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -83.5 | 144 | -159.4 | -66.1 | 166.1 | 176.2 | 166.1 | -2.2 | 112.2 | ||||
| 845 | F | 20 | Very low | 22.3 | Very low | 214 Ų | 214 | 152.5 Ų | 152.5 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -62 | 133.5 | 163.5 | -92.4 | -90.5 | 0 | 0 | 0 | 111.1 | ||||
| 846 | R | 21.1 | Very low | 22.3 | Very low | 241 Ų | 241 | 149.4 Ų | 149.4 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -132.5 | 119.5 | 162.2 | -158.5 | 177.1 | -173 | 178.4 | 0.8 | 107.8 | ||||
| 847 | Q | 22.6 | Very low | 22.3 | Very low | 170 Ų | 170 | 151.3 Ų | 151.3 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -66.6 | 150.1 | 174.8 | -74 | 163.8 | -60.9 | 0 | 0 | 110.8 | ||||
| 848 | D | 20.6 | Very low | 22.4 | Very low | 147 Ų | 147 | 154.6 Ų | 154.6 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | 175.3 | 126.6 | 113.4 | -82.2 | -24.4 | 0 | 0 | 0 | 112.4 | |||||
| 849 | S | 24.1 | Very low | 22.5 | Very low | 110 Ų | 110 | 154.5 Ų | 154.5 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | 41.6 | 149.8 | 142.3 | 62.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 850 | S | 22.7 | Very low | 22.6 | Very low | 106 Ų | 106 | 154.4 Ų | 154.4 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | cis | 167.1 | 140.1 | -16.6 | 53.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 851 | S | 24.3 | Very low | 22.9 | Very low | 108 Ų | 108 | 152.9 Ų | 152.9 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | 140.9 | 98.9 | 145.4 | 69.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 852 | L | 23.3 | Very low | 23.1 | Very low | 164 Ų | 164 | 155.9 Ų | 155.9 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | 83.7 | 136.4 | 76.1 | -92.6 | 165.8 | 0 | 0 | 0 | 116.1 | |||||
| 853 | T | 22.6 | Very low | 23.5 | Very low | 134 Ų | 134 | 157 Ų | 157 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | 95.4 | 135.3 | 163.2 | 73.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 854 | S | 22.1 | Very low | 23.7 | Very low | 113 Ų | 113 | 157.4 Ų | 157.4 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | cis | -175.8 | 140.3 | -8.4 | 168 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 855 | F | 22 | Very low | 24.1 | Very low | 214 Ų | 214 | 156.3 Ų | 156.3 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | -64.7 | 161.8 | 177.4 | -82.9 | -96.4 | 0 | 0 | 0 | 115 | ||||
| 856 | G | 24.1 | Very low | 24.5 | Very low | 60 Ų | 60 | 149.2 Ų | 149.2 | 62% | 0.619 | 81% | 0.807 | S | S | * | * | 142.8 | 103.1 | 124 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 857 | D | 23.3 | Very low | 25 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | 51.2 | 155.7 | 140.2 | -69 | -18.3 | 0 | 0 | 0 | 119.8 | ||||
| 858 | W | 24 | Very low | 25.1 | Very low | 239 Ų | 239 | 144.6 Ų | 144.6 | 91% | 0.905 | 81% | 0.806 | S | S | * | * | -165.8 | 150.2 | 80 | -83.9 | 82.8 | 0 | 0 | 0 | 113 | |||||
| 859 | S | 22.8 | Very low | 25.4 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -71.5 | 160.1 | 164.9 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 860 | D | 24.9 | Very low | 25.3 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -75.4 | 158.9 | -178.6 | -73.3 | -40.9 | 0 | 0 | 0 | 115.7 | ||||
| 861 | E | 26.7 | Very low | 25.4 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | 93.7 | 97.2 | 164 | -50.9 | -61.4 | 162.2 | 0 | 0 | 118 | ||||
| 862 | D | 26 | Very low | 25.3 | Very low | 160 Ų | 160 | 152.4 Ų | 152.4 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | -177 | 137.6 | 112.4 | -94.5 | -28.8 | 0 | 0 | 0 | 111.3 | |||||
| 863 | D | 32.7 | Very low | 25.4 | Very low | 139 Ų | 139 | 151 Ų | 151 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | trans | -49.1 | 135.9 | 174.3 | -87.5 | -39.9 | 0 | 0 | 0 | 112.6 | ||||
| 864 | L | 26.2 | Very low | 25.4 | Very low | 172 Ų | 172 | 151 Ų | 151 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | -173 | 106 | 134.5 | -122.2 | 83.8 | 0 | 0 | 0 | 111.2 | G866 | L864-G866 PolarHBondContact O-N 3.18Š| ||
| 865 | F | 29.9 | Very low | 25.5 | Very low | 215 Ų | 215 | 150 Ų | 150 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | trans | -62.5 | 117 | 163 | -82.1 | -89.1 | 0 | 0 | 0 | 110.1 | ||||
| 866 | G | 27.6 | Very low | 25.6 | Very low | 66 Ų | 66 | 147.4 Ų | 147.4 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | trans | -145.2 | 134.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L864 | L864-G866 PolarHBondContact O-N 3.18Š| ||
| 867 | P | 32.4 | Very low | 25.6 | Very low | 121 Ų | 121 | 151.3 Ų | 151.3 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -93 | 139.7 | -171.1 | 34.8 | -29.7 | 0 | 0 | 0 | 111 | ||||
| 868 | Q | 25.5 | Very low | 25.7 | Very low | 192 Ų | 192 | 149.3 Ų | 149.3 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -173.8 | 165.1 | 151 | -110.3 | 175 | 63.1 | 0 | 0 | 113.7 | ||||
| 869 | P | 25.5 | Very low | 25.7 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | -118 | -176.6 | -108.7 | 39.4 | -23.5 | 0 | 0 | 0 | 115.2 | |||||
| 870 | A | 23.1 | Very low | 25.6 | Very low | 88 Ų | 88 | 147.2 Ų | 147.2 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -69.1 | 165.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 871 | R | 23.7 | Very low | 25.5 | Very low | 217 Ų | 217 | 144.1 Ų | 144.1 | 82% | 0.819 | 81% | 0.808 | S | S | * | * | trans | 100.1 | 139.9 | 158.5 | -66.1 | 178.5 | 170.2 | 177.1 | -2.2 | 114.8 | ||||
| 872 | R | 23.1 | Very low | 25.4 | Very low | 213 Ų | 213 | 144.9 Ų | 144.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | cis | -166.8 | 147.3 | 31.2 | -137.1 | 166.3 | -167.7 | 174.3 | 0.6 | 111.5 | ||||
| 873 | T | 25.9 | Very low | 25.4 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | trans | -74.1 | 139.4 | 167.4 | -6.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 874 | V | 22.9 | Very low | 24.9 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -154.5 | 100.7 | 157.2 | -176.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 875 | A | 22.7 | Very low | 24.7 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | 83.2 | 119.6 | 83.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 876 | L | 25.3 | Very low | 24.4 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -52.7 | 141.6 | 172.3 | -154.6 | 95.3 | 0 | 0 | 0 | 112.8 | T878 | L876-T878 HydrophobicContact CD2-CG2 4.15Š| ||
| 877 | V | 24.5 | Very low | 24.2 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -132.1 | 123.5 | 156.3 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 878 | T | 24.3 | Very low | 23.8 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 69% | 0.693 | 81% | 0.81 | S | S | * | * | trans | -77.3 | 148.3 | 176 | 38.4 | 0 | 0 | 0 | 0 | 112.3 | L876 | L876-T878 HydrophobicContact CD2-CG2 4.15Š| ||
| 879 | A | 24.3 | Very low | 23.7 | Very low | 105 Ų | 105 | 139 Ų | 139 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | -151.4 | 106.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 880 | E | 21 | Very low | 23.6 | Very low | 195 Ų | 195 | 139.1 Ų | 139.1 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -80.6 | 158.2 | 156.9 | -54.7 | 175.5 | 145.1 | 0 | 0 | 107.7 | ||||
| 881 | A | 23.1 | Very low | 23.7 | Very low | 85 Ų | 85 | 138.7 Ų | 138.7 | 70% | 0.702 | 81% | 0.814 | S | S | * | * | cis | -166.7 | 159 | 17.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 882 | Q | 23.4 | Very low | 23.9 | Very low | 182 Ų | 182 | 132.2 Ų | 132.2 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | 82 | 156.8 | 145.4 | -71.6 | -171.4 | 19.6 | 0 | 0 | 121.9 | ||||
| 883 | P | 27.1 | Very low | 24 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | -140.3 | 162.5 | -60.4 | 36.3 | -16.5 | 0 | 0 | 0 | 113.9 | |||||
| 884 | G | 21.2 | Very low | 24 | Very low | 69 Ų | 69 | 125.1 Ų | 125.1 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 112.6 | 94.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 885 | H | 22.7 | Very low | 24.2 | Very low | 202 Ų | 202 | 121.7 Ų | 121.7 | 94% | 0.935 | 77% | 0.768 | S | S | * | * | 176.4 | 105.3 | 114.5 | -96.1 | -48.9 | 0 | 0 | 0 | 108.7 | |||||
| 886 | A | 24.1 | Very low | 24.6 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | -83.6 | 122.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 887 | A | 23.3 | Very low | 24.6 | Very low | 98 Ų | 98 | 116.1 Ų | 116.1 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | trans | -134.8 | 116.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 888 | L | 24 | Very low | 24.7 | Very low | 153 Ų | 153 | 114.5 Ų | 114.5 | 80% | 0.801 | 74% | 0.74 | S | S | * | * | trans | -64.9 | 130.7 | -176.2 | -76 | 101.6 | 0 | 0 | 0 | 111.9 | ||||
| 889 | Q | 23.6 | Very low | 24.6 | Very low | 199 Ų | 199 | 115.1 Ų | 115.1 | 93% | 0.93 | 74% | 0.735 | S | S | * | * | trans | -129.6 | 102.5 | 146 | -80 | -174.2 | -10.9 | 0 | 0 | 106.5 | ||||
| 890 | T | 23.3 | Very low | 24.8 | Very low | 120 Ų | 120 | 116.3 Ų | 116.3 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | -127 | 84.6 | 176.8 | -26 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 891 | G | 24.1 | Very low | 25 | Very low | 78 Ų | 78 | 114.7 Ų | 114.7 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | -93.9 | 111.1 | 162 | 0 | 0 | 0 | 0 | 0 | 107.8 | S893 | G891-S893 PolarHBondContact O-N 2.6Š| ||
| 892 | A | 27.5 | Very low | 25.3 | Very low | 81 Ų | 81 | 113.3 Ų | 113.3 | 67% | 0.669 | 71% | 0.707 | S | S | * | * | trans | -79.1 | 108.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 893 | S | 25 | Very low | 25.5 | Very low | 98 Ų | 98 | 110.5 Ų | 110.5 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 138.8 | 170.3 | 50 | 0 | 0 | 0 | 0 | 111 | G891 | G891-S893 PolarHBondContact O-N 2.6Š|
| 894 | L | 27.8 | Very low | 25.5 | Very low | 101 Ų | 101 | 114 Ų | 114 | 53% | 0.529 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 140.5 | 176.3 | -70.6 | 144.8 | 0 | 0 | 0 | 110.9 | N112 G896 S897 | N112-L894 WeakPolarHBondContact ND2-CD2 3.4Å; L894-G896 PolarHBondContact O-N 3.49Å; L894-S897 WeakPolarHBondContact CB-OG 3.3Å; L894-S897 PolarHBondContact O-N 3.37Å; L894-S897 PolarHBondContact O-OG 2.98Å |
| 895 | P | 25.8 | Very low | 25.8 | Very low | 63 Ų | 63 | 118.2 Ų | 118.2 | 41% | 0.409 | 70% | 0.702 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.9 | 120.6 | 164.8 | -8.2 | 23.7 | 0 | 0 | 0 | 108.8 | L114 | L114-P895 HydrophobicContact CB-CG 4.1Å; L114-P895 HydrophobicContact CD1-CB 3.76Å; L114-P895 HydrophobicContact CD1-CG 3.96Å |
| 896 | G | 30.8 | Very low | 26.1 | Very low | 87 Ų | 87 | 114.9 Ų | 114.9 | 90% | 0.897 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86 | 4.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | L894 V898 | L894-G896 PolarHBondContact O-N 3.49Å; G896-V898 PolarHBondContact O-N 2.93Å |
| 897 | S | 25 | Very low | 26.1 | Very low | 47 Ų | 47 | 117 Ų | 117 | 33% | 0.329 | 69% | 0.685 | S | S | . | * | trans | -82 | 108.2 | 158.8 | 67.5 | 0 | 0 | 0 | 0 | 108.3 | L894 E899 | L894-S897 WeakPolarHBondContact CB-OG 3.3Å; L894-S897 PolarHBondContact O-N 3.37Å; L894-S897 PolarHBondContact O-OG 2.98Å; S897-E899 PolarHBondContact O-N 3.3Å | ||
| 898 | V | 27.4 | Very low | 26.2 | Very low | 107 Ų | 107 | 116.5 Ų | 116.5 | 65% | 0.648 | 68% | 0.681 | S | S | * | * | trans | -68.1 | 97 | 149.5 | -176.6 | 0 | 0 | 0 | 0 | 105 | G896 M900 | G896-V898 PolarHBondContact O-N 2.93Å; V898-M900 HydrophobicContact CG1-CB 4.17Å; V898-M900 HydrophobicContact CG1-CG 3.81Å; V898-M900 PolarHBondContact O-N 2.88Å | ||
| 899 | E | 23.1 | Very low | 26.4 | Very low | 126 Ų | 126 | 116.5 Ų | 116.5 | 59% | 0.589 | 68% | 0.681 | S | S | * | * | trans | -62.1 | 94.3 | 153.3 | -80.5 | -173.1 | 171.2 | 0 | 0 | 105.8 | S897 D901 | S897-E899 PolarHBondContact O-N 3.3Å; E899-D901 PolarHBondContact O-N 3.46Å; E899-D901 VanDerWaalsContact O-N 3.12Å | ||
| 900 | M | 27.5 | Very low | 26.4 | Very low | 129 Ų | 129 | 111.7 Ų | 111.7 | 64% | 0.635 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 4 | -179.2 | -127.5 | 169.9 | 79.8 | 0 | 0 | 112.5 | V898 | V898-M900 HydrophobicContact CG1-CB 4.17Å; V898-M900 HydrophobicContact CG1-CG 3.81Å; V898-M900 PolarHBondContact O-N 2.88Å |
| 901 | D | 26.5 | Very low | 26.5 | Very low | 161 Ų | 161 | 110.8 Ų | 110.8 | 86% | 0.861 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 7.4 | 178.5 | -73.4 | -16 | 0 | 0 | 0 | 113.6 | E899 | E899-D901 PolarHBondContact O-N 3.46Å; E899-D901 VanDerWaalsContact O-N 3.12Å |
| 902 | S | 29.4 | Very low | 26.7 | Very low | 57 Ų | 57 | 114.3 Ų | 114.3 | 40% | 0.399 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -134.6 | -3.1 | 177.4 | 66.5 | 0 | 0 | 0 | 0 | 116.9 | ||
| 903 | L | 26.2 | Very low | 26.5 | Very low | 122 Ų | 122 | 119.5 Ų | 119.5 | 64% | 0.639 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -109.2 | -4.3 | 178.2 | -72.3 | 172.9 | 0 | 0 | 0 | 115.4 | ||
| 904 | F | 26.7 | Very low | 26.6 | Very low | 191 Ų | 191 | 120.4 Ų | 120.4 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -101.8 | -8.9 | 174.8 | -118.2 | -85 | 0 | 0 | 0 | 115.2 | ||
| 905 | E | 28.3 | Very low | 26.6 | Very low | 158 Ų | 158 | 123.6 Ų | 123.6 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -101.5 | -19.7 | 176.4 | -82 | -169 | 149.7 | 0 | 0 | 114.5 | ||
| 906 | N | 28.1 | Very low | 26.5 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -114.6 | 4.3 | -165.8 | -69.9 | -37.5 | 0 | 0 | 0 | 116.9 | ||
| 907 | M | 25.1 | Very low | 26.3 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -115.5 | -7 | 174.6 | -149.7 | 176.2 | -74.8 | 0 | 0 | 114.3 | ||
| 908 | A | 25.8 | Very low | 26.4 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -90 | 1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 909 | L | 27 | Very low | 26.4 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -122.4 | 6.9 | -176.1 | -78.8 | 169.6 | 0 | 0 | 0 | 115.7 | ||
| 910 | S | 25 | Very low | 26.6 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -109.8 | 9.4 | -175.6 | 57.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 911 | A | 25.4 | Very low | 26.6 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -104.7 | 5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 912 | L | 26.6 | Very low | 26.6 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | -97 | 102 | 172.9 | -68.6 | 171.6 | 0 | 0 | 0 | 109.7 | P914 | L912-P914 VanDerWaalsContact O-CD 3.29Å; L912-P914 WeakPolarHBondContact O-CD 3.05Å | ||
| 913 | Q | 23.5 | Very low | 26.4 | Very low | 189 Ų | 189 | 135.9 Ų | 135.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 120.6 | 154.4 | -86.3 | -174.2 | -30.1 | 0 | 0 | 108.3 | L915 | Q913-L915 PolarHBondContact O-N 3.17Š|
| 914 | P | 28.2 | Very low | 26.7 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 122.2 | 164.7 | -4.2 | 22.8 | 0 | 0 | 0 | 108 | L912 Q916 | L912-P914 VanDerWaalsContact O-CD 3.29Å; L912-P914 WeakPolarHBondContact O-CD 3.05Å; P914-Q916 PolarHBondContact O-N 3.33Å |
| 915 | L | 27.3 | Very low | 26.9 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 119.5 | 160.4 | -76.1 | 160.8 | 0 | 0 | 0 | 108.3 | Q913 | Q913-L915 PolarHBondContact O-N 3.17Š|
| 916 | Q | 24 | Very low | 26.8 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 141.6 | 169.2 | -75.7 | 174.2 | -38.3 | 0 | 0 | 110.9 | P914 | P914-Q916 PolarHBondContact O-N 3.33Š|
| 917 | P | 26.1 | Very low | 27.3 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 139.5 | 141.3 | 1.3 | 18.5 | 0 | 0 | 0 | 109.5 | ||
| 918 | L | 26.8 | Very low | 27.3 | Very low | 175 Ų | 175 | 133 Ų | 133 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 141.1 | 174.7 | -75.1 | 104.1 | 0 | 0 | 0 | 112.5 | ||
| 919 | G | 28.8 | Very low | 28 | Very low | 68 Ų | 68 | 140.2 Ų | 140.2 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 152.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 920 | L | 26.6 | Very low | 28.3 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -161.2 | 117.7 | 144.7 | -112.3 | 127.6 | 0 | 0 | 0 | 107.2 | ||||
| 921 | G | 27.5 | Very low | 28.4 | Very low | 66 Ų | 66 | 142.6 Ų | 142.6 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | trans | -68.9 | 159.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 922 | I | 26.3 | Very low | 28.5 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | trans | -161.2 | 136.5 | 145.6 | -93.4 | 139.8 | 0 | 0 | 0 | 106.6 | ||||
| 923 | G | 24.6 | Very low | 28.9 | Very low | 62 Ų | 62 | 143 Ų | 143 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | trans | -68.3 | 173 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | P925 | G923-P925 WeakPolarHBondContact O-CD 3.3Š| ||
| 924 | M | 34.1 | Very low | 29.2 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -37 | 133.4 | 166.3 | -63.6 | -89.8 | -82.5 | 0 | 0 | 112 | ||||
| 925 | P | 29.6 | Very low | 29.6 | Very low | 121 Ų | 121 | 143 Ų | 143 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -106 | 143.9 | 140.9 | 14.8 | 3.7 | 0 | 0 | 0 | 110.4 | G923 | G923-P925 WeakPolarHBondContact O-CD 3.3Š| ||
| 926 | A | 27 | Very low | 29.9 | Very low | 88 Ų | 88 | 141.3 Ų | 141.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -34.3 | 148.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | D928 | A926-D928 PolarHBondContact O-N 2.96Š| ||
| 927 | V | 38.8 | Very low | 30.3 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -50.2 | 104.5 | 152.3 | 175 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 928 | D | 24.7 | Very low | 30.9 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -101.7 | 106 | 165.8 | -141.9 | -2.7 | 0 | 0 | 0 | 108.3 | A926 G930 | A926-D928 PolarHBondContact O-N 2.96Å; D928-G930 PolarHBondContact O-N 3.27Å; D928-G930 VanDerWaalsContact O-N 3.12Å | ||
| 929 | R | 41.2 | Very low | 31.6 | Very low | 241 Ų | 241 | 137.8 Ų | 137.8 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | trans | -70.9 | 97.1 | 164.8 | -84.4 | -176.3 | 172.2 | 178.2 | -1.6 | 107 | ||||
| 930 | G | 32.6 | Very low | 32.5 | Very low | 59 Ų | 59 | 140.4 Ų | 140.4 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | trans | 174.5 | 87.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | D928 | D928-G930 PolarHBondContact O-N 3.27Å; D928-G930 VanDerWaalsContact O-N 3.12Å | ||
| 931 | R | 27.8 | Very low | 33.6 | Very low | 243 Ų | 243 | 139.3 Ų | 139.3 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | 163 | 114.7 | 123.7 | -93.7 | 174.8 | 174.9 | 179.8 | -1.4 | 108.8 | P933 | R931-P933 WeakPolarHBondContact O-CD 3.5Š| |||
| 932 | N | 27.3 | Very low | 35.6 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | -56.3 | 125.4 | 163.3 | -68.4 | -29.8 | 0 | 0 | 0 | 108.1 | E934 | N932-E934 PolarHBondContact O-N 3.38Š| ||
| 933 | P | 33.6 | Very low | 37.8 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | trans | -64.3 | 128.2 | 155.7 | 27.9 | -27.6 | 0 | 0 | 0 | 106 | R931 V935 | R931-P933 WeakPolarHBondContact O-CD 3.5Å; P933-V935 VanDerWaalsContact C-N 3.34Å; P933-V935 PolarHBondContact O-N 2.85Å | ||
| 934 | E | 31.5 | Very low | 40.4 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 89% | 0.893 | 71% | 0.71 | S | S | * | * | trans | -56.6 | 99.3 | 174.7 | -71.4 | -173.8 | 156.1 | 0 | 0 | 108.9 | N932 L936 | N932-E934 PolarHBondContact O-N 3.38Å; E934-L936 PolarHBondContact O-N 2.92Å; E934-L936 VanDerWaalsContact O-N 3.08Å | ||
| 935 | V | 34.8 | Very low | 42.2 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 70% | 0.703 | 70% | 0.695 | S | S | * | * | trans | -67.2 | 107.4 | 168.2 | 177.8 | 0 | 0 | 0 | 0 | 105.9 | P933 R937 | P933-V935 VanDerWaalsContact C-N 3.34Å; P933-V935 PolarHBondContact O-N 2.85Å; V935-R937 PolarHBondContact O-N 3.08Å | ||
| 936 | L | 34.3 | Very low | 44.3 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | trans | -54.4 | 110 | 173.1 | -136.2 | 96.4 | 0 | 0 | 0 | 108.3 | E934 E938 | E934-L936 PolarHBondContact O-N 2.92Å; E934-L936 VanDerWaalsContact O-N 3.08Å; L936-E938 PolarHBondContact O-N 3.11Å | ||
| 937 | R | 33.1 | Very low | 46.4 | Very low | 246 Ų | 246 | 126.1 Ų | 126.1 | 93% | 0.928 | 66% | 0.658 | S | S | * | * | trans | -69.5 | 95.2 | 169.2 | -100.5 | -177.8 | 171.9 | 175.4 | -1.9 | 108 | V935 | V935-R937 PolarHBondContact O-N 3.08Š| ||
| 938 | E | 39 | Very low | 48 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 39% | 0.388 | 62% | 0.623 | S | S | . | * | trans | -70.7 | 139.3 | 164.9 | -82.7 | 177.5 | -176.1 | 0 | 0 | 110.1 | L936 K1015 | L936-E938 PolarHBondContact O-N 3.11Å; E938-K1015 IonicContact OE1-NZ 2.68Å; E938-K1015 PolarHBondContact OE1-NZ 3.43Å; E938-K1015 IonicContact OE2-NZ 3.81Å | ||
| 939 | S | 39.6 | Very low | 50.7 | Low | 80 Ų | 80 | 113.4 Ų | 113.4 | 56% | 0.559 | 58% | 0.584 | S | S | * | * | trans | -65 | 141.9 | -179.8 | 46.8 | 0 | 0 | 0 | 0 | 112.1 | H941 | S939-H941 PolarHBondContact O-N 2.99Š| ||
| 940 | P | 48.4 | Very low | 52.5 | Low | 123 Ų | 123 | 108.4 Ų | 108.4 | 80% | 0.799 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -69.3 | -14.9 | -177.3 | 25.9 | -32.9 | 0 | 0 | 0 | 114.3 | ||
| 941 | H | 50.8 | Low | 54.6 | Low | 156 Ų | 156 | 106.1 Ų | 106.1 | 72% | 0.722 | 55% | 0.546 | S | S | * | . | trans | -112.7 | 114 | 178.7 | -66.4 | -72.6 | 0 | 0 | 0 | 110.3 | S939 | S939-H941 PolarHBondContact O-N 2.99Š| ||
| 942 | L | 69.1 | Low | 57.4 | Low | 46 Ų | 46 | 94.7 Ų | 94.7 | 24% | 0.241 | 50% | 0.503 | C | S | . | . | trans | -92.5 | 126.1 | 168.7 | -73.9 | 157.3 | 0 | 0 | 0 | 107.8 | F944 V1008 L1012 | L942-F944 HydrophobicContact CB-CE1 4.45Å; L942-F944 HydrophobicContact CB-CE2 4.06Å; L942-F944 HydrophobicContact CB-CZ 3.98Å; L942-F944 HydrophobicContact CD1-CZ 3.98Å; L942-F944 PolarHBondContact O-N 3.02Å; L942-V1008 HydrophobicContact CD2-CG1 3.87Å; L942-L1012 HydrophobicContact CD1-CD1 3.62Å; L942-L1012 HydrophobicContact CD1-CD2 4.21Å; L942-L1012 HydrophobicContact CD2-CD1 4.26Å; L942-L1012 HydrophobicContact CD2-CD2 4.47Å | ||
| 943 | N | 71 | Confident | 60.2 | Low | 146 Ų | 146 | 89.4 Ų | 89.4 | 78% | 0.781 | 48% | 0.475 | S | S | * | . | trans | -89.7 | 97.2 | 173.2 | -71.2 | -14.9 | 0 | 0 | 0 | 108.5 | ||||
| 944 | F | 79.7 | Confident | 62.7 | Low | 34 Ų | 34 | 84.4 Ų | 84.4 | 15% | 0.149 | 44% | 0.442 | C | S | . | . | trans | -74.7 | 144.8 | 173 | -63.6 | -68.5 | 0 | 0 | 0 | 111.2 | L942 C946 E950 N953 V1008 L1009 L1012 | L942-F944 HydrophobicContact CB-CE1 4.45Å; L942-F944 HydrophobicContact CB-CE2 4.06Å; L942-F944 HydrophobicContact CB-CZ 3.98Å; L942-F944 HydrophobicContact CD1-CZ 3.98Å; L942-F944 PolarHBondContact O-N 3.02Å; F944-C946 VanDerWaalsContact C-N 3.29Å; F944-C946 WeakPolarHBondContact CB-O 3.23Å; F944-E950 HydrophobicContact CD2-CG 3.79Å; F944-E950 HydrophobicContact CE2-CG 4.06Å; F944-N953 HydrophobicContact CE2-CB 4.38Å; F944-N953 HydrophobicContact CZ-CB 4.14Å; F944-V1008 HydrophobicContact CD1-CB 4.48Å; F944-V1008 HydrophobicContact CD1-CG1 4.3Å; F944-V1008 HydrophobicContact CE1-CG1 4.26Å; F944-L1009 HydrophobicContact CD1-CB 4.41Å; F944-L1009 HydrophobicContact CE1-CB 4.37Å; F944-L1009 HydrophobicContact CE1-CD1 4.12Å; F944-L1012 HydrophobicContact CE1-CD1 3.91Å; F944-L1012 HydrophobicContact CZ-CD1 4.16Å | ||
| 945 | S | 72.6 | Confident | 65.3 | Low | 87 Ų | 87 | 76.1 Ų | 76.1 | 61% | 0.608 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -72.7 | -23.5 | 175.2 | 27.7 | 0 | 0 | 0 | 0 | 112.8 | D1006 | S945-D1006 PolarHBondContact N-OD2 3.16Å; S945-D1006 WeakPolarHBondContact OG-CA 3.48Å; S945-D1006 WeakPolarHBondContact OG-CB 3.49Å; S945-D1006 PolarHBondContact OG-OD1 2.81Å; S945-D1006 PolarHBondContact OG-OD2 3.16Å |
| 946 | C | 74.3 | Confident | 67.5 | Low | 6 Ų | 6 | 74.7 Ų | 74.7 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -124.1 | 135.6 | 176.1 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | F944 Q948 S949 D1006 | F944-C946 VanDerWaalsContact C-N 3.29Å; F944-C946 WeakPolarHBondContact CB-O 3.23Å; C946-Q948 PolarHBondContact O-N 3.01Å; C946-Q948 PolarHBondContact SG-N 3.39Å; C946-S949 WeakPolarHBondContact O-CB 3.35Å; C946-S949 PolarHBondContact O-N 3.24Å; C946-S949 PolarHBondContact O-OG 2.93Å; C946-D1006 PolarHBondContact N-OD2 3.45Å |
| 947 | P | 70.8 | Confident | 69.8 | Low | 105 Ų | 105 | 72.7 Ų | 72.7 | 68% | 0.682 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -62.3 | -25 | 174.7 | 24.4 | -33.3 | 0 | 0 | 0 | 112.6 | S949 E950 | P947-S949 PolarHBondContact O-N 3.49Å; P947-E950 PolarHBondContact O-N 3.41Å |
| 948 | Q | 71.8 | Confident | 72.4 | Confident | 26 Ų | 26 | 61.4 Ų | 61.4 | 12% | 0.121 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -68.4 | -20.4 | 174.3 | -63.5 | 180 | -21 | 0 | 0 | 112.8 | C946 E950 A951 M999 L1003 | C946-Q948 PolarHBondContact O-N 3.01Å; C946-Q948 PolarHBondContact SG-N 3.39Å; Q948-E950 PolarHBondContact O-N 3.02Å; Q948-A951 VanDerWaalsContact O-CB 3.25Å; Q948-A951 WeakPolarHBondContact O-CB 3.28Å; Q948-A951 PolarHBondContact O-N 3.19Å; Q948-A951 VanDerWaalsContact O-N 3.14Å; Q948-M999 HydrophobicContact CG-CE 3.91Å; Q948-L1003 HydrophobicContact CB-CD1 4.01Å; Q948-L1003 HydrophobicContact CB-CD2 4.43Å |
| 949 | S | 81.3 | Confident | 74.5 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -67.4 | -23.2 | 178.1 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | C946 P947 A951 F952 D1006 | C946-S949 WeakPolarHBondContact O-CB 3.35Å; C946-S949 PolarHBondContact O-N 3.24Å; C946-S949 PolarHBondContact O-OG 2.93Å; P947-S949 PolarHBondContact O-N 3.49Å; S949-A951 PolarHBondContact O-N 2.75Å; S949-F952 PolarHBondContact O-N 3.45Å; S949-F952 VanDerWaalsContact O-N 3.13Å; S949-D1006 WeakPolarHBondContact CB-OD2 3.45Å; S949-D1006 PolarHBondContact OG-OD2 2.96Å |
| 950 | E | 79.4 | Confident | 76.4 | Confident | 136 Ų | 136 | 58.3 Ų | 58.3 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -61.8 | -30.3 | 172.6 | -80.8 | -168.4 | 147.3 | 0 | 0 | 112.3 | F944 P947 Q948 F952 N953 | F944-E950 HydrophobicContact CD2-CG 3.79Å; F944-E950 HydrophobicContact CE2-CG 4.06Å; P947-E950 PolarHBondContact O-N 3.41Å; Q948-E950 PolarHBondContact O-N 3.02Å; E950-F952 PolarHBondContact O-N 3.39Å; E950-N953 WeakPolarHBondContact O-CB 3.15Å; E950-N953 PolarHBondContact O-N 3.03Å |
| 951 | A | 77.3 | Confident | 77.8 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -65.2 | -25.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C795 Q799 Q948 S949 | C795-A951 CarbonylContact C-O 3.58Å; C795-A951 WeakPolarHBondContact CB-O 3.38Å; Q799-A951 VanDerWaalsContact CD-CA 3.41Å; Q799-A951 HydrophobicContact CG-CB 4.26Å; Q799-A951 VanDerWaalsContact NE2-CA 3.26Å; Q948-A951 VanDerWaalsContact O-CB 3.25Å; Q948-A951 WeakPolarHBondContact O-CB 3.28Å; Q948-A951 PolarHBondContact O-N 3.19Å; Q948-A951 VanDerWaalsContact O-N 3.14Å; S949-A951 PolarHBondContact O-N 2.75Å |
| 952 | F | 84.9 | Confident | 79 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -103.4 | 12.7 | -177.3 | -64.9 | -79.8 | 0 | 0 | 0 | 112.7 | L792 C795 V796 S949 E950 L954 L984 F987 L1003 L1009 H1013 | L792-F952 HydrophobicContact CD2-CB 4.46Å; L792-F952 HydrophobicContact CD2-CD1 3.74Å; L792-F952 HydrophobicContact CD2-CE1 4.4Å; L792-F952 HydrophobicContact CD2-CG 4.37Å; C795-F952 HydrophobicContact CB-CD1 4.35Å; C795-F952 PolarHBondContact SG-O 3.27Å; C795-F952 VanDerWaalsContact SG-O 3.39Å; V796-F952 HydrophobicContact CG2-CD1 4.22Å; V796-F952 HydrophobicContact CG2-CE1 3.37Å; V796-F952 HydrophobicContact CG2-CZ 3.86Å; S949-F952 PolarHBondContact O-N 3.45Å; S949-F952 VanDerWaalsContact O-N 3.13Å; E950-F952 PolarHBondContact O-N 3.39Å; F952-L954 PolarHBondContact O-N 2.85Å; F952-L984 HydrophobicContact CB-CD1 4.37Å; F952-L984 HydrophobicContact CD1-CD1 3.88Å; F952-L984 HydrophobicContact CD2-CD1 3.77Å; F952-L984 HydrophobicContact CE1-CD1 4.06Å; F952-L984 HydrophobicContact CE2-CD1 3.98Å; F952-L984 HydrophobicContact CG-CD1 3.72Å; F952-L984 HydrophobicContact CZ-CD1 4.12Å; F952-F987 HydrophobicContact CE1-CB 3.75Å; F952-F987 HydrophobicContact CZ-CB 3.96Å; F952-L1003 HydrophobicContact CD2-CD1 4.28Å; F952-L1003 HydrophobicContact CE2-CD2 4.03Å; F952-L1009 HydrophobicContact CB-CD1 3.92Å; F952-L1009 HydrophobicContact CB-CD2 3.96Å; F952-H1013 PolarHBondContact O-CE1 3.44Å |
| 953 | N | 86.4 | Confident | 79.5 | Confident | 44 Ų | 44 | 48.8 Ų | 48.8 | 24% | 0.235 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 125.9 | -174.1 | -162.7 | 7.2 | 0 | 0 | 0 | 113 | F944 E950 R959 | F944-N953 HydrophobicContact CE2-CB 4.38Å; F944-N953 HydrophobicContact CZ-CB 4.14Å; E950-N953 WeakPolarHBondContact O-CB 3.15Å; E950-N953 PolarHBondContact O-N 3.03Å; N953-R959 PolarHBondContact ND2-NH2 3.49Å; N953-R959 PolarHBondContact OD1-NH2 3.49Å |
| 954 | L | 87.3 | Confident | 79.9 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 147.4 | 179.8 | -64.6 | 172.1 | 0 | 0 | 0 | 112 | L791 F952 W958 R959 V1016 | L791-L954 HydrophobicContact CB-CD2 4.27Å; L791-L954 HydrophobicContact CD2-CD2 4.07Å; F952-L954 PolarHBondContact O-N 2.85Å; L954-W958 HydrophobicContact CD2-CE3 4.12Å; L954-W958 HydrophobicContact CD2-CZ3 4.11Å; L954-R959 VanDerWaalsContact O-CZ 3.29Å; L954-R959 PolarHBondContact O-NE 2.86Å; L954-R959 VanDerWaalsContact O-NE 3.13Å; L954-R959 PolarHBondContact O-NH2 3.12Å; L954-V1016 HydrophobicContact CD1-CB 3.91Å; L954-V1016 HydrophobicContact CD1-CG1 4.29Å; L954-V1016 HydrophobicContact CD1-CG2 3.71Å |
| 955 | P | 86.3 | Confident | 79.6 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -51.2 | 140.8 | 175.6 | -27.5 | 34.2 | 0 | 0 | 0 | 113.9 | V957 W958 | P955-V957 VanDerWaalsContact C-N 3.27Å; P955-V957 PolarHBondContact O-N 2.93Å; P955-W958 HydrophobicContact CB-CD2 3.97Å; P955-W958 HydrophobicContact CB-CG 4.01Å; P955-W958 VanDerWaalsContact CD-CE3 3.47Å; P955-W958 HydrophobicContact CG-CD2 3.72Å; P955-W958 HydrophobicContact CG-CE3 3.95Å; P955-W958 HydrophobicContact CG-CG 4.3Å; P955-W958 HydrophobicContact CG-CH2 4.02Å; P955-W958 HydrophobicContact CG-CZ2 3.81Å; P955-W958 HydrophobicContact CG-CZ3 4.09Å; P955-W958 WeakPolarHBondContact O-CB 3.42Å; P955-W958 PolarHBondContact O-N 3.09Å |
| 956 | P | 80.9 | Confident | 80 | Confident | 85 Ų | 85 | 49.6 Ų | 49.6 | 55% | 0.552 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -63.3 | -32 | -176.6 | 24.6 | -33.3 | 0 | 0 | 0 | 113 | W958 R959 | P956-W958 PolarHBondContact O-N 3.17Å; P956-R959 WeakPolarHBondContact O-CB 3.48Å; P956-R959 PolarHBondContact O-N 3.39Å |
| 957 | V | 81.9 | Confident | 80.2 | Confident | 91 Ų | 91 | 53.5 Ų | 53.5 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -62.5 | -28.4 | 177 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | P955 R959 T960 | P955-V957 VanDerWaalsContact C-N 3.27Å; P955-V957 PolarHBondContact O-N 2.93Å; V957-R959 VanDerWaalsContact C-N 3.26Å; V957-R959 PolarHBondContact O-N 2.9Å; V957-T960 PolarHBondContact O-OG1 2.9Å |
| 958 | W | 87.4 | Confident | 80.7 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -79.6 | -9.5 | 178.9 | -57.1 | -2.5 | 0 | 0 | 0 | 112.4 | L791 H794 L954 P955 P956 V1016 W1052 S1056 D1058 L1059 L1062 | L791-W958 HydrophobicContact CD2-CE3 4.36Å; L791-W958 HydrophobicContact CD2-CZ3 3.98Å; H794-W958 AromaticContact CD2-CH2 3.68Å; H794-W958 AromaticContact NE2-CH2 3.6Å; L954-W958 HydrophobicContact CD2-CE3 4.12Å; L954-W958 HydrophobicContact CD2-CZ3 4.11Å; P955-W958 HydrophobicContact CB-CD2 3.97Å; P955-W958 HydrophobicContact CB-CG 4.01Å; P955-W958 VanDerWaalsContact CD-CE3 3.47Å; P955-W958 HydrophobicContact CG-CD2 3.72Å; P955-W958 HydrophobicContact CG-CE3 3.95Å; P955-W958 HydrophobicContact CG-CG 4.3Å; P955-W958 HydrophobicContact CG-CH2 4.02Å; P955-W958 HydrophobicContact CG-CZ2 3.81Å; P955-W958 HydrophobicContact CG-CZ3 4.09Å; P955-W958 WeakPolarHBondContact O-CB 3.42Å; P955-W958 PolarHBondContact O-N 3.09Å; P956-W958 PolarHBondContact O-N 3.17Å; W958-V1016 HydrophobicContact CB-CG1 4.47Å; W958-V1016 HydrophobicContact CB-CG2 4.48Å; W958-V1016 WeakPolarHBondContact O-CG2 2.93Å; W958-W1052 VanDerWaalsContact O-CZ2 3.26Å; W958-W1052 WeakPolarHBondContact O-CZ2 3.27Å; W958-S1056 PolarHBondContact NE1-OG 3.13Å; W958-D1058 HydrophobicContact CZ2-CB 3.89Å; W958-L1059 HydrophobicContact CB-CD2 4.1Å; W958-L1059 HydrophobicContact CD2-CB 4.11Å; W958-L1059 HydrophobicContact CD2-CD1 4Å; W958-L1059 HydrophobicContact CD2-CD2 4.26Å; W958-L1059 HydrophobicContact CD2-CG 4.35Å; W958-L1059 HydrophobicContact CE3-CD1 3.79Å; W958-L1059 HydrophobicContact CG-CB 4.4Å; W958-L1059 HydrophobicContact CG-CD1 4.5Å; W958-L1059 HydrophobicContact CG-CD2 3.93Å; W958-L1059 HydrophobicContact CZ2-CB 4.21Å; W958-L1059 HydrophobicContact CZ3-CD1 4.15Å; W958-L1062 HydrophobicContact CH2-CD1 3.79Å; W958-L1062 HydrophobicContact CZ3-CD1 4.18Å |
| 959 | R | 83.3 | Confident | 81.2 | Confident | 25 Ų | 25 | 54 Ų | 54 | 9% | 0.094 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -92.1 | -13.1 | -175.8 | -53.9 | 176.7 | -162.5 | 163.5 | 2.2 | 113.2 | N953 L954 P956 V957 L1012 K1015 | N953-R959 PolarHBondContact ND2-NH2 3.49Å; N953-R959 PolarHBondContact OD1-NH2 3.49Å; L954-R959 VanDerWaalsContact O-CZ 3.29Å; L954-R959 PolarHBondContact O-NE 2.86Å; L954-R959 VanDerWaalsContact O-NE 3.13Å; L954-R959 PolarHBondContact O-NH2 3.12Å; P956-R959 WeakPolarHBondContact O-CB 3.48Å; P956-R959 PolarHBondContact O-N 3.39Å; V957-R959 VanDerWaalsContact C-N 3.26Å; V957-R959 PolarHBondContact O-N 2.9Å; R959-L1012 HydrophobicContact CG-CD2 4.43Å; R959-K1015 VanDerWaalsContact O-CE 3.23Å; R959-K1015 WeakPolarHBondContact O-CE 3.37Å; R959-K1015 PolarHBondContact O-NZ 2.76Å |
| 960 | T | 79.8 | Confident | 81.4 | Confident | 73 Ų | 73 | 57.9 Ų | 57.9 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | trans | -104.4 | 50.7 | -172.6 | 57.7 | 0 | 0 | 0 | 0 | 112 | V957 | V957-T960 PolarHBondContact O-OG1 2.9Š| ||
| 961 | A | 78.1 | Confident | 81.7 | Confident | 18 Ų | 18 | 52.4 Ų | 52.4 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | trans | -68.3 | 134.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L963 S1019 W1052 | A961-L963 HydrophobicContact CB-CD1 4.19Å; A961-L963 HydrophobicContact CB-CG 4.32Å; A961-L963 PolarHBondContact O-N 3.42Å; A961-S1019 WeakPolarHBondContact CB-OG 3.29Å; A961-W1052 HydrophobicContact CB-CD2 3.72Å; A961-W1052 HydrophobicContact CB-CE3 3.98Å; A961-W1052 HydrophobicContact CB-CG 4.29Å; A961-W1052 HydrophobicContact CB-CH2 4.12Å; A961-W1052 HydrophobicContact CB-CZ2 3.89Å; A961-W1052 HydrophobicContact CB-CZ3 4.17Å | ||
| 962 | P | 76.1 | Confident | 82.1 | Confident | 90 Ų | 90 | 55.9 Ų | 55.9 | 58% | 0.584 | 32% | 0.317 | S | S | * | . | trans | -81 | 49.9 | -177.4 | 35.6 | -36.8 | 0 | 0 | 0 | 112 | W1052 | P962-W1052 VanDerWaalsContact CD-CB 3.42Å; P962-W1052 HydrophobicContact CG-CB 3.96Å | ||
| 963 | L | 78.9 | Confident | 82.3 | Confident | 18 Ų | 18 | 61.3 Ų | 61.3 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | trans | -111.9 | 147.4 | -174.1 | -63.3 | 172.9 | 0 | 0 | 0 | 111.8 | A961 P965 I1022 | A961-L963 HydrophobicContact CB-CD1 4.19Å; A961-L963 HydrophobicContact CB-CG 4.32Å; A961-L963 PolarHBondContact O-N 3.42Å; L963-P965 WeakPolarHBondContact O-CD 3.38Å; L963-I1022 HydrophobicContact CD1-CB 4.02Å; L963-I1022 HydrophobicContact CD1-CD1 4.02Å; L963-I1022 HydrophobicContact CD1-CG2 3.83Å; L963-I1022 HydrophobicContact CD2-CG2 3.74Å; L963-I1022 HydrophobicContact CG-CG2 4.43Å | ||
| 964 | L | 78.6 | Confident | 82.2 | Confident | 118 Ų | 118 | 62.2 Ų | 62.2 | 62% | 0.618 | 36% | 0.357 | S | S | * | . | trans | -65.1 | 124.1 | 179.4 | -123.3 | 78.2 | 0 | 0 | 0 | 111 | S966 R967 L968 | L964-S966 PolarHBondContact O-N 2.95Å; L964-R967 HydrophobicContact CB-CB 4.47Å; L964-R967 WeakPolarHBondContact O-CB 3.49Å; L964-R967 PolarHBondContact O-N 3.38Å; L964-L968 PolarHBondContact O-N 2.96Å | ||
| 965 | P | 75.2 | Confident | 82.4 | Confident | 90 Ų | 90 | 62.6 Ų | 62.6 | 58% | 0.584 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59 | -30.6 | -179.1 | -27.1 | 35.1 | 0 | 0 | 0 | 114.6 | L963 R967 L968 L969 | L963-P965 WeakPolarHBondContact O-CD 3.38Å; P965-R967 VanDerWaalsContact C-N 3.29Å; P965-R967 PolarHBondContact O-N 3.18Å; P965-L968 PolarHBondContact O-N 3.4Å; P965-L969 WeakPolarHBondContact O-CG 3.38Å; P965-L969 PolarHBondContact O-N 3.04Å; P965-L969 VanDerWaalsContact O-N 3.1Å |
| 966 | S | 79.3 | Confident | 82.7 | Confident | 75 Ų | 75 | 63 Ų | 63 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.4 | -32 | 176.7 | 52.9 | 0 | 0 | 0 | 0 | 113 | L964 S970 | L964-S966 PolarHBondContact O-N 2.95Å; S966-S970 PolarHBondContact O-N 2.87Å |
| 967 | R | 79.1 | Confident | 83.2 | Confident | 88 Ų | 88 | 61.8 Ų | 61.8 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.6 | -42.3 | 178 | -160 | 176.1 | -171.2 | 171.9 | -0.6 | 110.9 | L964 P965 L969 S970 L971 E1027 E1048 | L964-R967 HydrophobicContact CB-CB 4.47Å; L964-R967 WeakPolarHBondContact O-CB 3.49Å; L964-R967 PolarHBondContact O-N 3.38Å; P965-R967 VanDerWaalsContact C-N 3.29Å; P965-R967 PolarHBondContact O-N 3.18Å; R967-L969 VanDerWaalsContact C-N 3.31Å; R967-L969 PolarHBondContact O-N 3.08Å; R967-S970 PolarHBondContact O-N 3.46Å; R967-S970 PolarHBondContact O-OG 2.88Å; R967-L971 PolarHBondContact O-N 3.13Å; R967-E1027 IonicContact CZ-OE1 3.45Å; R967-E1027 IonicContact CZ-OE2 3.05Å; R967-E1027 VanDerWaalsContact NE-CD 3.29Å; R967-E1027 IonicContact NE-OE1 3.22Å; R967-E1027 PolarHBondContact NE-OE1 2.89Å; R967-E1027 IonicContact NE-OE2 2.88Å; R967-E1027 PolarHBondContact NE-OE2 3.28Å; R967-E1027 IonicContact NH1-OE1 2.95Å; R967-E1027 IonicContact NH2-OE1 2.68Å; R967-E1027 PolarHBondContact NH2-OE1 3.33Å; R967-E1027 IonicContact NH2-OE2 3.35Å; R967-E1027 PolarHBondContact NH2-OE2 3.43Å; R967-E1048 IonicContact NH1-OE2 3.54Å; R967-E1048 PolarHBondContact NH1-OE2 3.35Å |
| 968 | L | 82.1 | Confident | 83.6 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 15% | 0.147 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 173.3 | -69.3 | 170.3 | 0 | 0 | 0 | 111.9 | L964 P965 S970 L971 R972 L1018 I1022 | L964-L968 PolarHBondContact O-N 2.96Å; P965-L968 PolarHBondContact O-N 3.4Å; L968-S970 VanDerWaalsContact C-N 3.34Å; L968-S970 PolarHBondContact O-N 3.37Å; L968-L971 PolarHBondContact O-N 3.42Å; L968-R972 PolarHBondContact O-N 2.87Å; L968-R972 VanDerWaalsContact O-N 3.17Å; L968-L1018 HydrophobicContact CD2-CB 3.64Å; L968-I1022 HydrophobicContact CD2-CD1 3.67Å; L968-I1022 HydrophobicContact CG-CD1 4.35Å |
| 969 | L | 82.6 | Confident | 83.8 | Confident | 115 Ų | 115 | 65.9 Ų | 65.9 | 60% | 0.602 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.3 | -37.7 | 176 | -74.2 | 166.7 | 0 | 0 | 0 | 112.5 | P965 R967 L971 R972 | P965-L969 WeakPolarHBondContact O-CG 3.38Å; P965-L969 PolarHBondContact O-N 3.04Å; P965-L969 VanDerWaalsContact O-N 3.1Å; R967-L969 VanDerWaalsContact C-N 3.31Å; R967-L969 PolarHBondContact O-N 3.08Å; L969-L971 VanDerWaalsContact C-N 3.34Å; L969-L971 PolarHBondContact O-N 3.25Å; L969-R972 WeakPolarHBondContact O-CB 3.16Å; L969-R972 PolarHBondContact O-N 2.87Å |
| 970 | S | 85.1 | Confident | 84.3 | Confident | 80 Ų | 80 | 64.8 Ų | 64.8 | 56% | 0.559 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68 | -30.8 | 177.7 | 67.7 | 0 | 0 | 0 | 0 | 114 | S966 R967 L968 | S966-S970 PolarHBondContact O-N 2.87Å; R967-S970 PolarHBondContact O-N 3.46Å; R967-S970 PolarHBondContact O-OG 2.88Å; L968-S970 VanDerWaalsContact C-N 3.34Å; L968-S970 PolarHBondContact O-N 3.37Å |
| 971 | L | 85.1 | Confident | 84.8 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -94.2 | -1 | -178.6 | -62.8 | 173.9 | 0 | 0 | 0 | 113.2 | R967 L968 L969 P973 L974 L1018 I1022 E1027 | R967-L971 PolarHBondContact O-N 3.13Å; L968-L971 PolarHBondContact O-N 3.42Å; L969-L971 VanDerWaalsContact C-N 3.34Å; L969-L971 PolarHBondContact O-N 3.25Å; L971-P973 VanDerWaalsContact C-N 3.3Å; L971-L974 HydrophobicContact CB-CD1 4.28Å; L971-L974 HydrophobicContact CD2-CD1 3.73Å; L971-L974 WeakPolarHBondContact O-CB 3.26Å; L971-L974 PolarHBondContact O-N 3.4Å; L971-L1018 HydrophobicContact CB-CD2 4.19Å; L971-I1022 HydrophobicContact CD1-CD1 4.03Å; L971-I1022 HydrophobicContact CD1-CG1 3.75Å; L971-E1027 HydrophobicContact CD1-CB 4.22Å; L971-E1027 HydrophobicContact CD1-CG 3.93Å |
| 972 | R | 86.8 | Confident | 85.4 | Confident | 84 Ų | 84 | 66 Ų | 66 | 32% | 0.317 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -50.1 | -39 | 178.6 | -170.5 | 173.9 | 175.6 | 120.2 | 3.4 | 114.4 | L968 L969 L974 F975 E1011 | L968-R972 PolarHBondContact O-N 2.87Å; L968-R972 VanDerWaalsContact O-N 3.17Å; L969-R972 WeakPolarHBondContact O-CB 3.16Å; L969-R972 PolarHBondContact O-N 2.87Å; R972-L974 PolarHBondContact O-N 3.35Å; R972-F975 PolarHBondContact O-N 3.28Å; R972-E1011 IonicContact CZ-OE1 3.7Å; R972-E1011 IonicContact CZ-OE2 2.66Å; R972-E1011 IonicContact NH1-OE1 2.88Å; R972-E1011 PolarHBondContact NH1-OE1 3.25Å; R972-E1011 IonicContact NH1-OE2 3.69Å; R972-E1011 PolarHBondContact NH1-OE2 3.05Å; R972-E1011 IonicContact NH2-OE1 3.75Å; R972-E1011 PolarHBondContact NH2-OE1 2.92Å; R972-E1011 IonicContact NH2-OE2 3.71Å |
| 973 | P | 87.6 | Confident | 86 | Confident | 117 Ų | 117 | 61.7 Ų | 61.7 | 76% | 0.76 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -63.4 | -18.4 | 177.8 | -23 | 34.9 | 0 | 0 | 0 | 115 | L971 F975 | L971-P973 VanDerWaalsContact C-N 3.3Å; P973-F975 VanDerWaalsContact C-N 3.28Å; P973-F975 PolarHBondContact O-N 2.89Å |
| 974 | L | 85.8 | Confident | 86.4 | Confident | 62 Ų | 62 | 60.9 Ų | 60.9 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -77.4 | -13.5 | 178.8 | -61.3 | 175.5 | 0 | 0 | 0 | 112.8 | L971 R972 L1021 | L971-L974 HydrophobicContact CB-CD1 4.28Å; L971-L974 HydrophobicContact CD2-CD1 3.73Å; L971-L974 WeakPolarHBondContact O-CB 3.26Å; L971-L974 PolarHBondContact O-N 3.4Å; R972-L974 PolarHBondContact O-N 3.35Å; L974-L1021 HydrophobicContact CD1-CD2 3.98Å |
| 975 | F | 91.3 | Very high | 86.7 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 4% | 0.044 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -77.6 | 125.6 | 179.1 | -175.6 | -93.7 | 0 | 0 | 0 | 110.9 | M784 T788 R972 P973 E977 F980 H1013 V1014 A1017 | M784-F975 HydrophobicContact CE-CB 4.41Å; M784-F975 HydrophobicContact CE-CD2 3.79Å; T788-F975 HydrophobicContact CG2-CE2 4.41Å; T788-F975 HydrophobicContact CG2-CZ 4.17Å; R972-F975 PolarHBondContact O-N 3.28Å; P973-F975 VanDerWaalsContact C-N 3.28Å; P973-F975 PolarHBondContact O-N 2.89Å; F975-E977 HydrophobicContact CD1-CG 3.91Å; F975-E977 HydrophobicContact CE1-CG 4.41Å; F975-E977 PolarHBondContact O-N 2.91Å; F975-F980 HydrophobicContact CE1-CB 3.89Å; F975-F980 HydrophobicContact CE1-CG 4.19Å; F975-F980 HydrophobicContact CZ-CB 3.99Å; F975-F980 HydrophobicContact CZ-CD2 4.12Å; F975-F980 HydrophobicContact CZ-CG 4.09Å; F975-H1013 HydrophobicContact CZ-CB 4.46Å; F975-V1014 HydrophobicContact CB-CG2 4.47Å; F975-V1014 HydrophobicContact CD1-CG2 3.56Å; F975-V1014 HydrophobicContact CD2-CB 4.43Å; F975-V1014 HydrophobicContact CD2-CG2 4.01Å; F975-V1014 HydrophobicContact CE1-CG2 3.64Å; F975-V1014 HydrophobicContact CE2-CG2 4.1Å; F975-V1014 HydrophobicContact CG-CB 4.48Å; F975-V1014 HydrophobicContact CG-CG2 3.74Å; F975-V1014 HydrophobicContact CZ-CG2 3.91Å; F975-A1017 HydrophobicContact CD2-CB 4.22Å; F975-A1017 HydrophobicContact CE2-CB 4.06Å |
| 976 | P | 91.6 | Very high | 87.2 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | trans | -82.4 | 82.1 | -174.8 | 35.3 | -37.3 | 0 | 0 | 0 | 110.9 | M784 K785 E978 W979 F980 | M784-P976 HydrophobicContact CB-CG 4.31Å; K785-P976 HydrophobicContact CG-CB 3.95Å; K785-P976 HydrophobicContact CG-CG 3.83Å; P976-E978 PolarHBondContact O-N 2.81Å; P976-W979 HydrophobicContact CB-CB 3.87Å; P976-W979 HydrophobicContact CG-CB 4.31Å; P976-W979 WeakPolarHBondContact O-CB 3.45Å; P976-W979 PolarHBondContact O-N 3.41Å; P976-F980 PolarHBondContact O-N 3.25Å | ||
| 977 | E | 91 | Very high | 87.5 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 29% | 0.285 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | -175.4 | -70.2 | -163 | -176.5 | 0 | 0 | 113.8 | F975 W979 F980 R981 K1010 | F975-E977 HydrophobicContact CD1-CG 3.91Å; F975-E977 HydrophobicContact CE1-CG 4.41Å; F975-E977 PolarHBondContact O-N 2.91Å; E977-W979 VanDerWaalsContact C-N 3.35Å; E977-F980 PolarHBondContact O-N 3.25Å; E977-R981 WeakPolarHBondContact O-CG 3.4Å; E977-R981 PolarHBondContact O-N 3.39Å; E977-R981 VanDerWaalsContact O-N 3.09Å; E977-R981 IonicContact OE2-CZ 3.87Å; E977-R981 IonicContact OE2-NH1 2.77Å; E977-R981 PolarHBondContact OE2-NH1 3.4Å; E977-R981 IonicContact OE2-NH2 3.84Å; E977-R981 PolarHBondContact OE2-NH2 3.25Å; E977-K1010 IonicContact OE1-NZ 3.34Å; E977-K1010 IonicContact OE2-NZ 2.65Å |
| 978 | E | 90.3 | Very high | 87.3 | Confident | 168 Ų | 168 | 50 Ų | 50 | 79% | 0.785 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.9 | -41.5 | 179.8 | -63.6 | -172.2 | 167.5 | 0 | 0 | 111.5 | P976 R981 F982 | P976-E978 PolarHBondContact O-N 2.81Å; E978-R981 PolarHBondContact O-N 3.29Å; E978-F982 WeakPolarHBondContact O-CB 3.27Å; E978-F982 PolarHBondContact O-N 2.99Å |
| 979 | W | 92.9 | Very high | 86.7 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 6% | 0.064 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 175.1 | 175.6 | -112.1 | 0 | 0 | 0 | 112.7 | K785 W789 P976 E977 F982 S983 P1086 L1089 F1090 L1093 | K785-W979 HydrophobicContact CB-CG 4.26Å; K785-W979 HydrophobicContact CG-CB 4.49Å; K785-W979 HydrophobicContact CG-CG 4.06Å; K785-W979 PolarHBondContact O-NE1 3Å; W789-W979 HydrophobicContact CB-CZ2 4.47Å; P976-W979 HydrophobicContact CB-CB 3.87Å; P976-W979 HydrophobicContact CG-CB 4.31Å; P976-W979 WeakPolarHBondContact O-CB 3.45Å; P976-W979 PolarHBondContact O-N 3.41Å; E977-W979 VanDerWaalsContact C-N 3.35Å; W979-F982 AromaticContact CE3-CD1 3.89Å; W979-F982 HydrophobicContact CE3-CD1 3.89Å; W979-F982 HydrophobicContact CH2-CD1 4.41Å; W979-F982 AromaticContact CZ3-CD1 3.62Å; W979-F982 HydrophobicContact CZ3-CD1 3.62Å; W979-F982 AromaticContact CZ3-CE1 3.89Å; W979-F982 HydrophobicContact CZ3-CE1 3.89Å; W979-F982 PolarHBondContact O-N 3.46Å; W979-S983 VanDerWaalsContact CE2-OG 3.23Å; W979-S983 WeakPolarHBondContact CZ2-OG 3.4Å; W979-S983 WeakPolarHBondContact O-CB 3.4Å; W979-S983 PolarHBondContact O-N 3.23Å; W979-S983 PolarHBondContact O-OG 2.81Å; W979-P1086 HydrophobicContact CE3-CB 4.2Å; W979-P1086 HydrophobicContact CZ3-CB 4.01Å; W979-P1086 VanDerWaalsContact CZ3-O 3.32Å; W979-P1086 WeakPolarHBondContact CZ3-O 3.42Å; W979-L1089 HydrophobicContact CD2-CD2 4.28Å; W979-L1089 HydrophobicContact CE3-CD2 4.1Å; W979-L1089 HydrophobicContact CH2-CB 4.02Å; W979-L1089 HydrophobicContact CH2-CD2 3.78Å; W979-L1089 HydrophobicContact CH2-CG 3.66Å; W979-L1089 HydrophobicContact CZ2-CD2 3.98Å; W979-L1089 HydrophobicContact CZ2-CG 4.06Å; W979-L1089 HydrophobicContact CZ3-CB 4.16Å; W979-L1089 HydrophobicContact CZ3-CD2 3.85Å; W979-L1089 HydrophobicContact CZ3-CG 4.09Å; W979-F1090 HydrophobicContact CH2-CB 3.75Å; W979-F1090 HydrophobicContact CH2-CD2 4.07Å; W979-F1090 HydrophobicContact CH2-CG 4.42Å; W979-F1090 HydrophobicContact CZ2-CD2 4.47Å; W979-F1090 HydrophobicContact CZ3-CB 4.33Å; W979-L1093 HydrophobicContact CZ2-CD1 3.87Å |
| 980 | F | 92.3 | Very high | 85.8 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -50.9 | 175 | 171.7 | -101.3 | 0 | 0 | 0 | 110.9 | T788 L792 F975 P976 E977 F982 S983 L984 L1009 K1010 H1013 | T788-F980 HydrophobicContact CG2-CB 4.04Å; T788-F980 HydrophobicContact CG2-CD2 3.59Å; T788-F980 HydrophobicContact CG2-CG 4.3Å; L792-F980 HydrophobicContact CD1-CD2 4.05Å; L792-F980 HydrophobicContact CD1-CE2 4.23Å; L792-F980 HydrophobicContact CD2-CE2 3.88Å; L792-F980 HydrophobicContact CG-CE2 4.34Å; F975-F980 HydrophobicContact CE1-CB 3.89Å; F975-F980 HydrophobicContact CE1-CG 4.19Å; F975-F980 HydrophobicContact CZ-CB 3.99Å; F975-F980 HydrophobicContact CZ-CD2 4.12Å; F975-F980 HydrophobicContact CZ-CG 4.09Å; P976-F980 PolarHBondContact O-N 3.25Å; E977-F980 PolarHBondContact O-N 3.25Å; F980-F982 VanDerWaalsContact C-N 3.3Å; F980-F982 PolarHBondContact O-N 3.29Å; F980-S983 PolarHBondContact O-N 3.46Å; F980-L984 HydrophobicContact CE1-CD2 3.98Å; F980-L984 HydrophobicContact CZ-CD2 4.03Å; F980-L984 WeakPolarHBondContact O-CB 3.26Å; F980-L984 PolarHBondContact O-N 3.37Å; F980-L1009 HydrophobicContact CZ-CG 4.39Å; F980-K1010 HydrophobicContact CD1-CG 4.18Å; F980-K1010 HydrophobicContact CE1-CB 3.94Å; F980-K1010 HydrophobicContact CE1-CG 4.05Å; F980-H1013 HydrophobicContact CD2-CB 4.46Å; F980-H1013 HydrophobicContact CE2-CB 3.88Å; F980-H1013 AromaticContact CE2-CG 3.67Å; F980-H1013 AromaticContact CE2-ND1 3.93Å; F980-H1013 HydrophobicContact CZ-CB 4.45Å |
| 981 | R | 90.4 | Very high | 84.7 | Confident | 75 Ų | 75 | 47.6 Ų | 47.6 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.1 | -38.5 | 178.7 | -66.4 | -175.6 | -170.5 | 98.1 | 4.5 | 111.9 | E977 E978 G985 K1004 | E977-R981 WeakPolarHBondContact O-CG 3.4Å; E977-R981 PolarHBondContact O-N 3.39Å; E977-R981 VanDerWaalsContact O-N 3.09Å; E977-R981 IonicContact OE2-CZ 3.87Å; E977-R981 IonicContact OE2-NH1 2.77Å; E977-R981 PolarHBondContact OE2-NH1 3.4Å; E977-R981 IonicContact OE2-NH2 3.84Å; E977-R981 PolarHBondContact OE2-NH2 3.25Å; E978-R981 PolarHBondContact O-N 3.29Å; R981-G985 PolarHBondContact O-N 3.4Å; R981-G985 VanDerWaalsContact O-N 3.14Å; R981-K1004 WeakPolarHBondContact O-CE 3.25Å |
| 982 | F | 91.1 | Very high | 83.3 | Confident | 41 Ų | 41 | 52.3 Ų | 52.3 | 18% | 0.18 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.1 | -54.3 | 175.5 | 177.3 | -99.4 | 0 | 0 | 0 | 112.1 | E978 W979 F980 L984 G985 R986 P1086 E1087 F1090 | E978-F982 WeakPolarHBondContact O-CB 3.27Å; E978-F982 PolarHBondContact O-N 2.99Å; W979-F982 AromaticContact CE3-CD1 3.89Å; W979-F982 HydrophobicContact CE3-CD1 3.89Å; W979-F982 HydrophobicContact CH2-CD1 4.41Å; W979-F982 AromaticContact CZ3-CD1 3.62Å; W979-F982 HydrophobicContact CZ3-CD1 3.62Å; W979-F982 AromaticContact CZ3-CE1 3.89Å; W979-F982 HydrophobicContact CZ3-CE1 3.89Å; W979-F982 PolarHBondContact O-N 3.46Å; F980-F982 VanDerWaalsContact C-N 3.3Å; F980-F982 PolarHBondContact O-N 3.29Å; F982-L984 PolarHBondContact O-N 3.48Å; F982-G985 PolarHBondContact O-N 2.93Å; F982-R986 HydrophobicContact CE1-CG 4.44Å; F982-R986 HydrophobicContact CZ-CG 4.47Å; F982-R986 PolarHBondContact O-N 3.48Å; F982-P1086 HydrophobicContact CD1-CB 4.13Å; F982-P1086 HydrophobicContact CE1-CB 4.06Å; F982-P1086 WeakPolarHBondContact CE1-O 3.21Å; F982-P1086 HydrophobicContact CE2-CG 4.47Å; F982-P1086 HydrophobicContact CG-CB 4.39Å; F982-P1086 HydrophobicContact CZ-CB 4.27Å; F982-E1087 HydrophobicContact CE2-CG 4.42Å; F982-E1087 WeakPolarHBondContact CE2-OE1 3.45Å; F982-E1087 HydrophobicContact CZ-CG 3.94Å; F982-E1087 WeakPolarHBondContact CZ-OE1 3.27Å; F982-F1090 HydrophobicContact CE1-CB 3.95Å; F982-F1090 HydrophobicContact CE1-CD2 4.28Å; F982-F1090 HydrophobicContact CE1-CG 4.32Å |
| 983 | S | 89.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -41.2 | -178.9 | -62 | 0 | 0 | 0 | 0 | 112.2 | W979 F980 G985 R986 F987 | W979-S983 VanDerWaalsContact CE2-OG 3.23Å; W979-S983 WeakPolarHBondContact CZ2-OG 3.4Å; W979-S983 WeakPolarHBondContact O-CB 3.4Å; W979-S983 PolarHBondContact O-N 3.23Å; W979-S983 PolarHBondContact O-OG 2.81Å; F980-S983 PolarHBondContact O-N 3.46Å; S983-G985 VanDerWaalsContact C-N 3.3Å; S983-G985 PolarHBondContact O-N 3.35Å; S983-R986 PolarHBondContact O-N 3.09Å; S983-R986 VanDerWaalsContact O-N 3.16Å; S983-F987 VanDerWaalsContact O-CD2 3.3Å; S983-F987 WeakPolarHBondContact O-CD2 3.42Å; S983-F987 PolarHBondContact O-N 3.3Å |
| 984 | L | 87.9 | Confident | 79.8 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 175.6 | -177.3 | 65.8 | 0 | 0 | 0 | 111.3 | L792 F952 F980 F982 R986 G988 L1003 L1009 | L792-L984 HydrophobicContact CD1-CB 4.31Å; L792-L984 HydrophobicContact CD2-CD1 3.78Å; F952-L984 HydrophobicContact CB-CD1 4.37Å; F952-L984 HydrophobicContact CD1-CD1 3.88Å; F952-L984 HydrophobicContact CD2-CD1 3.77Å; F952-L984 HydrophobicContact CE1-CD1 4.06Å; F952-L984 HydrophobicContact CE2-CD1 3.98Å; F952-L984 HydrophobicContact CG-CD1 3.72Å; F952-L984 HydrophobicContact CZ-CD1 4.12Å; F980-L984 HydrophobicContact CE1-CD2 3.98Å; F980-L984 HydrophobicContact CZ-CD2 4.03Å; F980-L984 WeakPolarHBondContact O-CB 3.26Å; F980-L984 PolarHBondContact O-N 3.37Å; F982-L984 PolarHBondContact O-N 3.48Å; L984-R986 VanDerWaalsContact C-N 3.35Å; L984-R986 PolarHBondContact O-N 2.86Å; L984-G988 PolarHBondContact O-N 3.19Å; L984-L1003 HydrophobicContact CD1-CD1 4.42Å; L984-L1003 HydrophobicContact CD1-CD2 4.27Å; L984-L1003 HydrophobicContact CD1-CG 4.27Å; L984-L1003 HydrophobicContact CD2-CD1 4.44Å; L984-L1003 HydrophobicContact CD2-CG 4.02Å; L984-L1003 WeakPolarHBondContact CD2-O 3.13Å; L984-L1003 HydrophobicContact CG-CD2 4.14Å; L984-L1003 HydrophobicContact CG-CG 3.98Å; L984-L1009 HydrophobicContact CD1-CD2 4.1Å; L984-L1009 HydrophobicContact CD2-CD2 4.02Å |
| 985 | G | 84.3 | Confident | 78.1 | Confident | 7 Ų | 7 | 54 Ų | 54 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | R981 F982 S983 L989 K1004 | R981-G985 PolarHBondContact O-N 3.4Å; R981-G985 VanDerWaalsContact O-N 3.14Å; F982-G985 PolarHBondContact O-N 2.93Å; S983-G985 VanDerWaalsContact C-N 3.3Å; S983-G985 PolarHBondContact O-N 3.35Å; G985-L989 WeakPolarHBondContact O-CG 3.38Å; G985-L989 PolarHBondContact O-N 2.92Å; G985-K1004 VanDerWaalsContact CA-CE 3.49Å |
| 986 | R | 85.8 | Confident | 76.5 | Confident | 115 Ų | 115 | 59.3 Ų | 59.3 | 43% | 0.434 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.8 | -48.4 | 177.7 | -70.8 | -61.2 | -147.8 | 172.7 | 6.9 | 112.5 | F982 S983 L984 G988 L989 A990 F1090 | F982-R986 HydrophobicContact CE1-CG 4.44Å; F982-R986 HydrophobicContact CZ-CG 4.47Å; F982-R986 PolarHBondContact O-N 3.48Å; S983-R986 PolarHBondContact O-N 3.09Å; S983-R986 VanDerWaalsContact O-N 3.16Å; L984-R986 VanDerWaalsContact C-N 3.35Å; L984-R986 PolarHBondContact O-N 2.86Å; R986-G988 VanDerWaalsContact C-N 3.32Å; R986-G988 PolarHBondContact O-N 3.35Å; R986-L989 PolarHBondContact O-N 3.12Å; R986-A990 PolarHBondContact O-N 3.06Å; R986-F1090 HydrophobicContact CB-CD2 4.49Å; R986-F1090 HydrophobicContact CB-CE1 4.07Å; R986-F1090 HydrophobicContact CB-CE2 3.73Å; R986-F1090 HydrophobicContact CB-CZ 3.49Å; R986-F1090 VanDerWaalsContact CB-CZ 3.49Å; R986-F1090 HydrophobicContact CG-CD2 4.39Å; R986-F1090 HydrophobicContact CG-CE1 4.27Å; R986-F1090 HydrophobicContact CG-CE2 4.11Å; R986-F1090 HydrophobicContact CG-CZ 4.06Å |
| 987 | F | 84.3 | Confident | 75 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 7% | 0.066 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.2 | -31.9 | 179.3 | -76.8 | -59.4 | 0 | 0 | 0 | 112.8 | W789 L792 R793 V796 F952 S983 L989 A990 A991 F1090 | W789-F987 AromaticContact CD1-CE2 3.7Å; W789-F987 HydrophobicContact CD2-CE2 4.4Å; W789-F987 HydrophobicContact CD2-CZ 4.19Å; W789-F987 AromaticContact CE2-CZ 3.59Å; W789-F987 HydrophobicContact CG-CE2 4.18Å; W789-F987 HydrophobicContact CG-CZ 4.43Å; W789-F987 AromaticContact CZ2-CZ 3.93Å; W789-F987 HydrophobicContact CZ2-CZ 3.93Å; W789-F987 AromaticContact NE1-CE2 3.63Å; W789-F987 AromaticContact NE1-CZ 3.49Å; L792-F987 HydrophobicContact CB-CD2 3.89Å; L792-F987 HydrophobicContact CB-CE2 4.21Å; R793-F987 HydrophobicContact CB-CE1 4.05Å; R793-F987 HydrophobicContact CB-CE2 4.37Å; R793-F987 HydrophobicContact CB-CZ 3.77Å; R793-F987 HydrophobicContact CG-CE1 4.26Å; R793-F987 HydrophobicContact CG-CZ 4.33Å; V796-F987 HydrophobicContact CG2-CB 4.01Å; V796-F987 HydrophobicContact CG2-CD1 4.3Å; V796-F987 HydrophobicContact CG2-CG 4.38Å; F952-F987 HydrophobicContact CE1-CB 3.75Å; F952-F987 HydrophobicContact CZ-CB 3.96Å; S983-F987 VanDerWaalsContact O-CD2 3.3Å; S983-F987 WeakPolarHBondContact O-CD2 3.42Å; S983-F987 PolarHBondContact O-N 3.3Å; F987-L989 VanDerWaalsContact C-N 3.35Å; F987-L989 PolarHBondContact O-N 3.42Å; F987-A990 PolarHBondContact O-N 3.4Å; F987-A991 PolarHBondContact O-N 3.28Å; F987-A991 VanDerWaalsContact O-N 3.12Å; F987-F1090 HydrophobicContact CD2-CE2 4.22Å; F987-F1090 HydrophobicContact CD2-CZ 4.4Å; F987-F1090 HydrophobicContact CE1-CZ 4.29Å; F987-F1090 AromaticContact CE2-CE2 3.79Å; F987-F1090 HydrophobicContact CE2-CE2 3.79Å; F987-F1090 HydrophobicContact CE2-CZ 4.02Å; F987-F1090 HydrophobicContact CZ-CE2 4.13Å; F987-F1090 AromaticContact CZ-CZ 3.95Å; F987-F1090 HydrophobicContact CZ-CZ 3.95Å |
| 988 | G | 75.4 | Confident | 73.7 | Confident | 6 Ų | 6 | 69 Ų | 69 | 6% | 0.062 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L984 R986 A990 A991 | L984-G988 PolarHBondContact O-N 3.19Å; R986-G988 VanDerWaalsContact C-N 3.32Å; R986-G988 PolarHBondContact O-N 3.35Å; G988-A990 VanDerWaalsContact C-N 3.34Å; G988-A990 PolarHBondContact O-N 2.9Å; G988-A991 PolarHBondContact O-N 3.4Å |
| 989 | L | 70.8 | Confident | 72.4 | Confident | 89 Ų | 89 | 64.4 Ų | 64.4 | 47% | 0.466 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.2 | -35.1 | 174.8 | -67.6 | 167.1 | 0 | 0 | 0 | 112.7 | G985 R986 F987 T1000 | G985-L989 WeakPolarHBondContact O-CG 3.38Å; G985-L989 PolarHBondContact O-N 2.92Å; R986-L989 PolarHBondContact O-N 3.12Å; F987-L989 VanDerWaalsContact C-N 3.35Å; F987-L989 PolarHBondContact O-N 3.42Å; L989-T1000 HydrophobicContact CD2-CG2 4.18Å |
| 990 | A | 62.3 | Low | 71.3 | Confident | 55 Ų | 55 | 65 Ų | 65 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -81.2 | -11.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K800 R986 F987 G988 | K800-A990 PolarHBondContact NZ-O 3.03Å; R986-A990 PolarHBondContact O-N 3.06Å; F987-A990 PolarHBondContact O-N 3.4Å; G988-A990 VanDerWaalsContact C-N 3.34Å; G988-A990 PolarHBondContact O-N 2.9Å |
| 991 | A | 61.7 | Low | 70.4 | Confident | 29 Ų | 29 | 71 Ų | 71 | 24% | 0.24 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -81.2 | -34.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | F987 G988 | F987-A991 PolarHBondContact O-N 3.28Å; F987-A991 VanDerWaalsContact O-N 3.12Å; G988-A991 PolarHBondContact O-N 3.4Å |
| 992 | Q | 56.7 | Low | 69.6 | Low | 119 Ų | 119 | 69.4 Ų | 69.4 | 56% | 0.556 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -149.9 | 113.8 | 178.1 | -65 | -175.8 | -6.9 | 0 | 0 | 109.3 | E994 | Q992-E994 PolarHBondContact O-N 3.44Š|
| 993 | G | 48.3 | Very low | 69.1 | Low | 81 Ų | 81 | 67.6 Ų | 67.6 | 84% | 0.835 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -63.2 | 2.5 | -162.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 994 | E | 52.1 | Low | 68.7 | Low | 185 Ų | 185 | 71.4 Ų | 71.4 | 86% | 0.864 | 39% | 0.387 | S | S | * | . | trans | -145.7 | 109.3 | 172.4 | -69 | -172.6 | 167 | 0 | 0 | 110.1 | Q992 | Q992-E994 PolarHBondContact O-N 3.44Š| ||
| 995 | T | 50.3 | Low | 68.4 | Low | 34 Ų | 34 | 77 Ų | 77 | 21% | 0.209 | 41% | 0.413 | C | S | . | . | trans | -134.2 | 135.7 | 173.6 | 52 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 996 | L | 57.8 | Low | 68.4 | Low | 121 Ų | 121 | 76.9 Ų | 76.9 | 63% | 0.634 | 41% | 0.411 | S | S | * | . | trans | -61.4 | 136.7 | 175.4 | -158.7 | 73.4 | 0 | 0 | 0 | 110.4 | D998 M999 | L996-D998 HydrophobicContact CD2-CB 4.49Å; L996-D998 PolarHBondContact O-N 3.03Å; L996-M999 WeakPolarHBondContact O-CB 3.42Å; L996-M999 PolarHBondContact O-N 3.4Å | ||
| 997 | E | 60.8 | Low | 68.3 | Low | 168 Ų | 168 | 75.9 Ų | 75.9 | 79% | 0.785 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -50.1 | -36.5 | -176.6 | -69.9 | -177.4 | 160.5 | 0 | 0 | 113 | M999 T1000 K1001 | E997-M999 VanDerWaalsContact C-N 3.32Å; E997-M999 PolarHBondContact O-N 3.48Å; E997-T1000 PolarHBondContact O-N 3.27Å; E997-T1000 PolarHBondContact O-OG1 2.95Å; E997-K1001 PolarHBondContact O-N 2.87Å |
| 998 | D | 63.3 | Low | 68.4 | Low | 120 Ų | 120 | 77.8 Ų | 77.8 | 64% | 0.642 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.8 | -35.5 | 177.6 | -66.2 | -31.4 | 0 | 0 | 0 | 113.7 | L996 K1001 A1002 | L996-D998 HydrophobicContact CD2-CB 4.49Å; L996-D998 PolarHBondContact O-N 3.03Å; D998-K1001 PolarHBondContact O-N 3.2Å; D998-A1002 PolarHBondContact O-N 2.98Å |
| 999 | M | 62.5 | Low | 68.9 | Low | 73 Ų | 73 | 77.5 Ų | 77.5 | 36% | 0.36 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -72.2 | -36.7 | 179.4 | -71.8 | -174.9 | 73.5 | 0 | 0 | 112.2 | Q948 L996 E997 K1001 A1002 L1003 | Q948-M999 HydrophobicContact CG-CE 3.91Å; L996-M999 WeakPolarHBondContact O-CB 3.42Å; L996-M999 PolarHBondContact O-N 3.4Å; E997-M999 VanDerWaalsContact C-N 3.32Å; E997-M999 PolarHBondContact O-N 3.48Å; M999-K1001 PolarHBondContact O-N 2.88Å; M999-A1002 PolarHBondContact O-N 2.96Å; M999-L1003 WeakPolarHBondContact O-CB 3.25Å; M999-L1003 PolarHBondContact O-N 3.5Å |
| 1000 | T | 69.3 | Low | 69.8 | Low | 29 Ų | 29 | 73.8 Ų | 73.8 | 18% | 0.178 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67 | -30.4 | 176.1 | 66.8 | 0 | 0 | 0 | 0 | 111.7 | L989 E997 K1004 | L989-T1000 HydrophobicContact CD2-CG2 4.18Å; E997-T1000 PolarHBondContact O-N 3.27Å; E997-T1000 PolarHBondContact O-OG1 2.95Å; T1000-K1004 VanDerWaalsContact O-CG 3.29Å; T1000-K1004 WeakPolarHBondContact O-CG 3.34Å; T1000-K1004 PolarHBondContact O-N 3.05Å |
| 1001 | K | 73.4 | Confident | 71 | Confident | 128 Ų | 128 | 74.4 Ų | 74.4 | 56% | 0.557 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -70.7 | -46 | 173.3 | -164.7 | 178.6 | 178.5 | -175.2 | 0 | 111.2 | E997 D998 M999 L1003 K1004 E1005 | E997-K1001 PolarHBondContact O-N 2.87Å; D998-K1001 PolarHBondContact O-N 3.2Å; M999-K1001 PolarHBondContact O-N 2.88Å; K1001-L1003 VanDerWaalsContact C-N 3.3Å; K1001-L1003 PolarHBondContact O-N 2.91Å; K1001-K1004 PolarHBondContact O-N 2.69Å; K1001-K1004 VanDerWaalsContact O-N 3.15Å; K1001-E1005 VanDerWaalsContact CE-OE1 3.29Å; K1001-E1005 WeakPolarHBondContact CE-OE1 3.45Å; K1001-E1005 WeakPolarHBondContact O-CG 3.48Å; K1001-E1005 PolarHBondContact O-N 2.68Å |
| 1002 | A | 73.9 | Confident | 72.3 | Confident | 42 Ų | 42 | 73.6 Ų | 73.6 | 35% | 0.347 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.7 | -36.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D998 M999 | D998-A1002 PolarHBondContact O-N 2.98Å; M999-A1002 PolarHBondContact O-N 2.96Å |
| 1003 | L | 80.7 | Confident | 73.9 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 174.8 | -179 | 64 | 0 | 0 | 0 | 112.4 | Q948 F952 L984 M999 K1001 E1005 L1009 | Q948-L1003 HydrophobicContact CB-CD1 4.01Å; Q948-L1003 HydrophobicContact CB-CD2 4.43Å; F952-L1003 HydrophobicContact CD2-CD1 4.28Å; F952-L1003 HydrophobicContact CE2-CD2 4.03Å; L984-L1003 HydrophobicContact CD1-CD1 4.42Å; L984-L1003 HydrophobicContact CD1-CD2 4.27Å; L984-L1003 HydrophobicContact CD1-CG 4.27Å; L984-L1003 HydrophobicContact CD2-CD1 4.44Å; L984-L1003 HydrophobicContact CD2-CG 4.02Å; L984-L1003 WeakPolarHBondContact CD2-O 3.13Å; L984-L1003 HydrophobicContact CG-CD2 4.14Å; L984-L1003 HydrophobicContact CG-CG 3.98Å; M999-L1003 WeakPolarHBondContact O-CB 3.25Å; M999-L1003 PolarHBondContact O-N 3.5Å; K1001-L1003 VanDerWaalsContact C-N 3.3Å; K1001-L1003 PolarHBondContact O-N 2.91Å; L1003-E1005 VanDerWaalsContact C-N 3.3Å; L1003-E1005 PolarHBondContact O-N 2.96Å; L1003-L1009 HydrophobicContact CD1-CD2 4.25Å |
| 1004 | K | 80.3 | Confident | 75.9 | Confident | 80 Ų | 80 | 64.6 Ų | 64.6 | 35% | 0.348 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.3 | -24.1 | 179 | -73.4 | 173.5 | -178.8 | 179.1 | 0 | 113.7 | R981 G985 T1000 K1001 | R981-K1004 WeakPolarHBondContact O-CE 3.25Å; G985-K1004 VanDerWaalsContact CA-CE 3.49Å; T1000-K1004 VanDerWaalsContact O-CG 3.29Å; T1000-K1004 WeakPolarHBondContact O-CG 3.34Å; T1000-K1004 PolarHBondContact O-N 3.05Å; K1001-K1004 PolarHBondContact O-N 2.69Å; K1001-K1004 VanDerWaalsContact O-N 3.15Å |
| 1005 | E | 83.4 | Confident | 77.6 | Confident | 120 Ų | 120 | 58.5 Ų | 58.5 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 2.7 | -178.8 | -67.8 | 176.2 | -173.8 | 0 | 0 | 113 | K1001 L1003 E1007 | K1001-E1005 VanDerWaalsContact CE-OE1 3.29Å; K1001-E1005 WeakPolarHBondContact CE-OE1 3.45Å; K1001-E1005 WeakPolarHBondContact O-CG 3.48Å; K1001-E1005 PolarHBondContact O-N 2.68Å; L1003-E1005 VanDerWaalsContact C-N 3.3Å; L1003-E1005 PolarHBondContact O-N 2.96Å; E1005-E1007 PolarHBondContact O-N 3.4Å |
| 1006 | D | 83.9 | Confident | 79.6 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | trans | -72.6 | 96.9 | 178.9 | -164.3 | -46.5 | 0 | 0 | 0 | 112.1 | S945 C946 S949 V1008 L1009 K1010 | S945-D1006 PolarHBondContact N-OD2 3.16Å; S945-D1006 WeakPolarHBondContact OG-CA 3.48Å; S945-D1006 WeakPolarHBondContact OG-CB 3.49Å; S945-D1006 PolarHBondContact OG-OD1 2.81Å; S945-D1006 PolarHBondContact OG-OD2 3.16Å; C946-D1006 PolarHBondContact N-OD2 3.45Å; S949-D1006 WeakPolarHBondContact CB-OD2 3.45Å; S949-D1006 PolarHBondContact OG-OD2 2.96Å; D1006-V1008 VanDerWaalsContact C-N 3.32Å; D1006-V1008 PolarHBondContact O-N 3.38Å; D1006-V1008 PolarHBondContact OD1-N 2.78Å; D1006-V1008 VanDerWaalsContact OD1-N 3.12Å; D1006-L1009 HydrophobicContact CB-CB 4.04Å; D1006-L1009 PolarHBondContact O-N 2.66Å; D1006-L1009 PolarHBondContact OD1-N 2.88Å; D1006-K1010 PolarHBondContact O-N 3.46Å; D1006-K1010 VanDerWaalsContact O-N 3.16Å | ||
| 1007 | E | 83.7 | Confident | 81.2 | Confident | 93 Ų | 93 | 51.3 Ų | 51.3 | 44% | 0.435 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.7 | -31.6 | -179.3 | -73.3 | -67.2 | 131.4 | 0 | 0 | 112.9 | E1005 K1010 E1011 | E1005-E1007 PolarHBondContact O-N 3.4Å; E1007-K1010 PolarHBondContact O-N 3.11Å; E1007-K1010 IonicContact OE1-NZ 2.64Å; E1007-K1010 PolarHBondContact OE1-NZ 3.26Å; E1007-K1010 WeakPolarHBondContact OE2-CE 3.42Å; E1007-K1010 IonicContact OE2-NZ 3.29Å; E1007-K1010 PolarHBondContact OE2-NZ 3.05Å; E1007-E1011 WeakPolarHBondContact O-CG 3.34Å; E1007-E1011 PolarHBondContact O-N 2.97Å |
| 1008 | V | 85.6 | Confident | 82.6 | Confident | 55 Ų | 55 | 43.4 Ų | 43.4 | 33% | 0.333 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.2 | -44.3 | 179.5 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | L942 F944 D1006 K1010 E1011 L1012 | L942-V1008 HydrophobicContact CD2-CG1 3.87Å; F944-V1008 HydrophobicContact CD1-CB 4.48Å; F944-V1008 HydrophobicContact CD1-CG1 4.3Å; F944-V1008 HydrophobicContact CE1-CG1 4.26Å; D1006-V1008 VanDerWaalsContact C-N 3.32Å; D1006-V1008 PolarHBondContact O-N 3.38Å; D1006-V1008 PolarHBondContact OD1-N 2.78Å; D1006-V1008 VanDerWaalsContact OD1-N 3.12Å; V1008-K1010 VanDerWaalsContact C-N 3.32Å; V1008-K1010 PolarHBondContact O-N 3.11Å; V1008-E1011 PolarHBondContact O-N 3.49Å; V1008-L1012 HydrophobicContact CG1-CD1 4.4Å; V1008-L1012 WeakPolarHBondContact O-CG 3.37Å; V1008-L1012 PolarHBondContact O-N 3.45Å |
| 1009 | L | 86.8 | Confident | 83.9 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 176.3 | -174.4 | 65.9 | 0 | 0 | 0 | 111.7 | F944 F952 F980 L984 L1003 D1006 H1013 | F944-L1009 HydrophobicContact CD1-CB 4.41Å; F944-L1009 HydrophobicContact CE1-CB 4.37Å; F944-L1009 HydrophobicContact CE1-CD1 4.12Å; F952-L1009 HydrophobicContact CB-CD1 3.92Å; F952-L1009 HydrophobicContact CB-CD2 3.96Å; F980-L1009 HydrophobicContact CZ-CG 4.39Å; L984-L1009 HydrophobicContact CD1-CD2 4.1Å; L984-L1009 HydrophobicContact CD2-CD2 4.02Å; L1003-L1009 HydrophobicContact CD1-CD2 4.25Å; D1006-L1009 HydrophobicContact CB-CB 4.04Å; D1006-L1009 PolarHBondContact O-N 2.66Å; D1006-L1009 PolarHBondContact OD1-N 2.88Å; L1009-H1013 PolarHBondContact O-N 2.77Å; L1009-H1013 PolarHBondContact O-ND1 3.29Å |
| 1010 | K | 88.6 | Confident | 85.3 | Confident | 10 Ų | 10 | 34.3 Ų | 34.3 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.4 | -51.6 | 176.8 | -172.2 | -173.1 | 70.5 | -176.1 | 0 | 111.5 | E977 F980 D1006 E1007 V1008 L1012 H1013 V1014 | E977-K1010 IonicContact OE1-NZ 3.34Å; E977-K1010 IonicContact OE2-NZ 2.65Å; F980-K1010 HydrophobicContact CD1-CG 4.18Å; F980-K1010 HydrophobicContact CE1-CB 3.94Å; F980-K1010 HydrophobicContact CE1-CG 4.05Å; D1006-K1010 PolarHBondContact O-N 3.46Å; D1006-K1010 VanDerWaalsContact O-N 3.16Å; E1007-K1010 PolarHBondContact O-N 3.11Å; E1007-K1010 IonicContact OE1-NZ 2.64Å; E1007-K1010 PolarHBondContact OE1-NZ 3.26Å; E1007-K1010 WeakPolarHBondContact OE2-CE 3.42Å; E1007-K1010 IonicContact OE2-NZ 3.29Å; E1007-K1010 PolarHBondContact OE2-NZ 3.05Å; V1008-K1010 VanDerWaalsContact C-N 3.32Å; V1008-K1010 PolarHBondContact O-N 3.11Å; K1010-L1012 PolarHBondContact O-N 2.94Å; K1010-H1013 PolarHBondContact O-N 3.42Å; K1010-H1013 VanDerWaalsContact O-N 3.11Å; K1010-V1014 HydrophobicContact CG-CG2 4.25Å; K1010-V1014 VanDerWaalsContact O-CG2 3.27Å; K1010-V1014 WeakPolarHBondContact O-CG2 3.3Å; K1010-V1014 PolarHBondContact O-N 2.94Å |
| 1011 | E | 87.9 | Confident | 86.2 | Confident | 69 Ų | 69 | 32.9 Ų | 32.9 | 32% | 0.322 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.8 | -35.1 | -178.9 | -70.8 | -57.8 | 128 | 0 | 0 | 112.5 | R972 E1007 V1008 K1015 | R972-E1011 IonicContact CZ-OE1 3.7Å; R972-E1011 IonicContact CZ-OE2 2.66Å; R972-E1011 IonicContact NH1-OE1 2.88Å; R972-E1011 PolarHBondContact NH1-OE1 3.25Å; R972-E1011 IonicContact NH1-OE2 3.69Å; R972-E1011 PolarHBondContact NH1-OE2 3.05Å; R972-E1011 IonicContact NH2-OE1 3.75Å; R972-E1011 PolarHBondContact NH2-OE1 2.92Å; R972-E1011 IonicContact NH2-OE2 3.71Å; E1007-E1011 WeakPolarHBondContact O-CG 3.34Å; E1007-E1011 PolarHBondContact O-N 2.97Å; V1008-E1011 PolarHBondContact O-N 3.49Å; E1011-K1015 WeakPolarHBondContact O-CB 3.31Å; E1011-K1015 PolarHBondContact O-N 3.06Å |
| 1012 | L | 88.3 | Confident | 86.9 | Confident | 12 Ų | 12 | 27 Ų | 27 | 6% | 0.063 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.9 | -47.6 | 174.5 | -72.1 | 165.5 | 0 | 0 | 0 | 112.1 | L942 F944 R959 V1008 K1010 K1015 V1016 | L942-L1012 HydrophobicContact CD1-CD1 3.62Å; L942-L1012 HydrophobicContact CD1-CD2 4.21Å; L942-L1012 HydrophobicContact CD2-CD1 4.26Å; L942-L1012 HydrophobicContact CD2-CD2 4.47Å; F944-L1012 HydrophobicContact CE1-CD1 3.91Å; F944-L1012 HydrophobicContact CZ-CD1 4.16Å; R959-L1012 HydrophobicContact CG-CD2 4.43Å; V1008-L1012 HydrophobicContact CG1-CD1 4.4Å; V1008-L1012 WeakPolarHBondContact O-CG 3.37Å; V1008-L1012 PolarHBondContact O-N 3.45Å; K1010-L1012 PolarHBondContact O-N 2.94Å; L1012-K1015 PolarHBondContact O-N 3.32Å; L1012-V1016 WeakPolarHBondContact O-CG2 3.4Å; L1012-V1016 PolarHBondContact O-N 2.87Å; L1012-V1016 VanDerWaalsContact O-N 3.16Å |
| 1013 | H | 90.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.8 | -38.4 | 179.4 | -73.5 | 79.2 | 0 | 0 | 0 | 111.9 | F952 F975 F980 L1009 K1010 K1015 V1016 A1017 | F952-H1013 PolarHBondContact O-CE1 3.44Å; F975-H1013 HydrophobicContact CZ-CB 4.46Å; F980-H1013 HydrophobicContact CD2-CB 4.46Å; F980-H1013 HydrophobicContact CE2-CB 3.88Å; F980-H1013 AromaticContact CE2-CG 3.67Å; F980-H1013 AromaticContact CE2-ND1 3.93Å; F980-H1013 HydrophobicContact CZ-CB 4.45Å; L1009-H1013 PolarHBondContact O-N 2.77Å; L1009-H1013 PolarHBondContact O-ND1 3.29Å; K1010-H1013 PolarHBondContact O-N 3.42Å; K1010-H1013 VanDerWaalsContact O-N 3.11Å; H1013-K1015 PolarHBondContact O-N 3.49Å; H1013-V1016 PolarHBondContact O-N 3.17Å; H1013-A1017 WeakPolarHBondContact O-CB 3.25Å; H1013-A1017 PolarHBondContact O-N 2.72Å |
| 1014 | V | 90.8 | Very high | 88 | Confident | 9 Ų | 9 | 25 Ų | 25 | 6% | 0.055 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.6 | -49.6 | 173.9 | 172 | 0 | 0 | 0 | 0 | 110.2 | F975 K1010 V1016 L1018 | F975-V1014 HydrophobicContact CB-CG2 4.47Å; F975-V1014 HydrophobicContact CD1-CG2 3.56Å; F975-V1014 HydrophobicContact CD2-CB 4.43Å; F975-V1014 HydrophobicContact CD2-CG2 4.01Å; F975-V1014 HydrophobicContact CE1-CG2 3.64Å; F975-V1014 HydrophobicContact CE2-CG2 4.1Å; F975-V1014 HydrophobicContact CG-CB 4.48Å; F975-V1014 HydrophobicContact CG-CG2 3.74Å; F975-V1014 HydrophobicContact CZ-CG2 3.91Å; K1010-V1014 HydrophobicContact CG-CG2 4.25Å; K1010-V1014 VanDerWaalsContact O-CG2 3.27Å; K1010-V1014 WeakPolarHBondContact O-CG2 3.3Å; K1010-V1014 PolarHBondContact O-N 2.94Å; V1014-V1016 PolarHBondContact O-N 3.32Å; V1014-L1018 HydrophobicContact CG1-CD1 3.64Å; V1014-L1018 HydrophobicContact CG1-CG 4.36Å; V1014-L1018 WeakPolarHBondContact O-CB 3.43Å; V1014-L1018 VanDerWaalsContact O-CG 3.31Å; V1014-L1018 WeakPolarHBondContact O-CG 3.48Å; V1014-L1018 PolarHBondContact O-N 2.99Å |
| 1015 | K | 89 | Confident | 88.1 | Confident | 58 Ų | 58 | 22.5 Ų | 22.5 | 25% | 0.252 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -59.3 | -48.2 | -179.3 | -169.9 | -174.3 | -172.2 | -169.2 | 0 | 111.8 | E938 R959 E1011 L1012 H1013 S1019 | E938-K1015 IonicContact OE1-NZ 2.68Å; E938-K1015 PolarHBondContact OE1-NZ 3.43Å; E938-K1015 IonicContact OE2-NZ 3.81Å; R959-K1015 VanDerWaalsContact O-CE 3.23Å; R959-K1015 WeakPolarHBondContact O-CE 3.37Å; R959-K1015 PolarHBondContact O-NZ 2.76Å; E1011-K1015 WeakPolarHBondContact O-CB 3.31Å; E1011-K1015 PolarHBondContact O-N 3.06Å; L1012-K1015 PolarHBondContact O-N 3.32Å; H1013-K1015 PolarHBondContact O-N 3.49Å; K1015-S1019 VanDerWaalsContact O-CB 3.29Å; K1015-S1019 WeakPolarHBondContact O-CB 3.36Å; K1015-S1019 PolarHBondContact O-N 3.14Å; K1015-S1019 VanDerWaalsContact O-N 3.08Å; K1015-S1019 PolarHBondContact O-OG 3.24Å |
| 1016 | V | 90.8 | Very high | 88.1 | Confident | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.012 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -69 | -47.3 | -178.5 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | L791 L954 W958 L1012 H1013 V1014 L1018 S1019 C1020 L1059 | L791-V1016 HydrophobicContact CD1-CG1 4.35Å; L954-V1016 HydrophobicContact CD1-CB 3.91Å; L954-V1016 HydrophobicContact CD1-CG1 4.29Å; L954-V1016 HydrophobicContact CD1-CG2 3.71Å; W958-V1016 HydrophobicContact CB-CG1 4.47Å; W958-V1016 HydrophobicContact CB-CG2 4.48Å; W958-V1016 WeakPolarHBondContact O-CG2 2.93Å; L1012-V1016 WeakPolarHBondContact O-CG2 3.4Å; L1012-V1016 PolarHBondContact O-N 2.87Å; L1012-V1016 VanDerWaalsContact O-N 3.16Å; H1013-V1016 PolarHBondContact O-N 3.17Å; V1014-V1016 PolarHBondContact O-N 3.32Å; V1016-L1018 PolarHBondContact O-N 3.25Å; V1016-S1019 PolarHBondContact O-N 3.31Å; V1016-C1020 PolarHBondContact O-N 3.24Å; V1016-C1020 PolarHBondContact O-SG 3Å; V1016-L1059 HydrophobicContact CG1-CD1 4.16Å |
| 1017 | A | 91.8 | Very high | 87.7 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M784 L787 F975 H1013 S1019 C1020 L1021 | M784-A1017 HydrophobicContact CE-CB 3.81Å; L787-A1017 HydrophobicContact CD2-CB 4.09Å; F975-A1017 HydrophobicContact CD2-CB 4.22Å; F975-A1017 HydrophobicContact CE2-CB 4.06Å; H1013-A1017 WeakPolarHBondContact O-CB 3.25Å; H1013-A1017 PolarHBondContact O-N 2.72Å; A1017-S1019 VanDerWaalsContact C-N 3.34Å; A1017-C1020 WeakPolarHBondContact O-CB 3.42Å; A1017-C1020 PolarHBondContact O-N 3.12Å; A1017-L1021 PolarHBondContact O-N 3.2Å |
| 1018 | L | 90.9 | Very high | 87.2 | Confident | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.7 | -34.2 | 175.9 | -67.4 | 176.1 | 0 | 0 | 0 | 112.2 | M784 L968 L971 V1014 V1016 C1020 L1021 I1022 | M784-L1018 HydrophobicContact CE-CD2 3.78Å; M784-L1018 HydrophobicContact CE-CG 4.36Å; L968-L1018 HydrophobicContact CD2-CB 3.64Å; L971-L1018 HydrophobicContact CB-CD2 4.19Å; V1014-L1018 HydrophobicContact CG1-CD1 3.64Å; V1014-L1018 HydrophobicContact CG1-CG 4.36Å; V1014-L1018 WeakPolarHBondContact O-CB 3.43Å; V1014-L1018 VanDerWaalsContact O-CG 3.31Å; V1014-L1018 WeakPolarHBondContact O-CG 3.48Å; V1014-L1018 PolarHBondContact O-N 2.99Å; V1016-L1018 PolarHBondContact O-N 3.25Å; L1018-C1020 VanDerWaalsContact C-N 3.33Å; L1018-L1021 HydrophobicContact CD2-CD2 4.29Å; L1018-L1021 WeakPolarHBondContact O-CB 3.49Å; L1018-L1021 PolarHBondContact O-N 3.07Å; L1018-I1022 VanDerWaalsContact O-CG1 3.32Å; L1018-I1022 WeakPolarHBondContact O-CG1 3.42Å; L1018-I1022 PolarHBondContact O-N 3.17Å |
| 1019 | S | 90.4 | Very high | 86.5 | Confident | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 174.1 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | A961 K1015 V1016 A1017 S1023 | A961-S1019 WeakPolarHBondContact CB-OG 3.29Å; K1015-S1019 VanDerWaalsContact O-CB 3.29Å; K1015-S1019 WeakPolarHBondContact O-CB 3.36Å; K1015-S1019 PolarHBondContact O-N 3.14Å; K1015-S1019 VanDerWaalsContact O-N 3.08Å; K1015-S1019 PolarHBondContact O-OG 3.24Å; V1016-S1019 PolarHBondContact O-N 3.31Å; A1017-S1019 VanDerWaalsContact C-N 3.34Å; S1019-S1023 WeakPolarHBondContact O-CB 3.46Å; S1019-S1023 PolarHBondContact O-N 3.16Å; S1019-S1023 PolarHBondContact O-OG 2.82Å |
| 1020 | C | 90.9 | Very high | 86 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 172.6 | -70.1 | 0 | 0 | 0 | 0 | 112.1 | L787 V1016 A1017 L1018 I1022 S1023 V1024 T1063 | L787-C1020 HydrophobicContact CD2-CB 3.67Å; V1016-C1020 PolarHBondContact O-N 3.24Å; V1016-C1020 PolarHBondContact O-SG 3Å; A1017-C1020 WeakPolarHBondContact O-CB 3.42Å; A1017-C1020 PolarHBondContact O-N 3.12Å; L1018-C1020 VanDerWaalsContact C-N 3.33Å; C1020-I1022 VanDerWaalsContact C-N 3.35Å; C1020-I1022 PolarHBondContact O-N 3.5Å; C1020-S1023 PolarHBondContact O-N 3.44Å; C1020-V1024 WeakPolarHBondContact O-CB 3.45Å; C1020-V1024 VanDerWaalsContact O-CG2 3.26Å; C1020-V1024 WeakPolarHBondContact O-CG2 3.47Å; C1020-V1024 PolarHBondContact O-N 2.99Å; C1020-T1063 HydrophobicContact CB-CG2 3.95Å; C1020-T1063 PolarHBondContact SG-OG1 3.37Å; C1020-T1063 VanDerWaalsContact SG-OG1 3.37Å |
| 1021 | L | 89.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57 | -46.4 | 176.5 | -174.5 | 77 | 0 | 0 | 0 | 112.1 | Q780 F783 M784 L974 A1017 L1018 V1024 G1025 A1026 | Q780-L1021 HydrophobicContact CG-CD1 4.3Å; F783-L1021 HydrophobicContact CD1-CD1 3.55Å; F783-L1021 HydrophobicContact CE1-CB 4.34Å; F783-L1021 HydrophobicContact CE1-CD1 3.66Å; M784-L1021 HydrophobicContact CG-CD1 4.23Å; M784-L1021 HydrophobicContact SD-CB 3.96Å; M784-L1021 HydrophobicContact SD-CD1 3.95Å; M784-L1021 HydrophobicContact SD-CD2 4.07Å; M784-L1021 HydrophobicContact SD-CG 4.22Å; L974-L1021 HydrophobicContact CD1-CD2 3.98Å; A1017-L1021 PolarHBondContact O-N 3.2Å; L1018-L1021 HydrophobicContact CD2-CD2 4.29Å; L1018-L1021 WeakPolarHBondContact O-CB 3.49Å; L1018-L1021 PolarHBondContact O-N 3.07Å; L1021-V1024 PolarHBondContact O-N 3.46Å; L1021-G1025 PolarHBondContact O-N 3.21Å; L1021-A1026 HydrophobicContact CD1-CB 3.65Å; L1021-A1026 WeakPolarHBondContact CD1-O 3.26Å; L1021-A1026 HydrophobicContact CG-CB 4.23Å; L1021-A1026 WeakPolarHBondContact CG-O 3.32Å; L1021-A1026 PolarHBondContact O-N 3.1Å |
| 1022 | I | 88.4 | Confident | 84.9 | Confident | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.015 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 176.4 | -69.6 | 166.3 | 0 | 0 | 0 | 111 | L963 L968 L971 L1018 C1020 V1024 G1025 E1027 | L963-I1022 HydrophobicContact CD1-CB 4.02Å; L963-I1022 HydrophobicContact CD1-CD1 4.02Å; L963-I1022 HydrophobicContact CD1-CG2 3.83Å; L963-I1022 HydrophobicContact CD2-CG2 3.74Å; L963-I1022 HydrophobicContact CG-CG2 4.43Å; L968-I1022 HydrophobicContact CD2-CD1 3.67Å; L968-I1022 HydrophobicContact CG-CD1 4.35Å; L971-I1022 HydrophobicContact CD1-CD1 4.03Å; L971-I1022 HydrophobicContact CD1-CG1 3.75Å; L1018-I1022 VanDerWaalsContact O-CG1 3.32Å; L1018-I1022 WeakPolarHBondContact O-CG1 3.42Å; L1018-I1022 PolarHBondContact O-N 3.17Å; C1020-I1022 VanDerWaalsContact C-N 3.35Å; C1020-I1022 PolarHBondContact O-N 3.5Å; I1022-V1024 PolarHBondContact O-N 3.02Å; I1022-G1025 PolarHBondContact O-N 3.07Å; I1022-E1027 HydrophobicContact CB-CG 4.43Å; I1022-E1027 HydrophobicContact CG1-CG 3.96Å; I1022-E1027 WeakPolarHBondContact CG1-OE1 3.42Å; I1022-E1027 WeakPolarHBondContact CG2-OE1 3.37Å |
| 1023 | S | 88.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.9 | -28.1 | -178.7 | -57.4 | 0 | 0 | 0 | 0 | 112.6 | S1019 C1020 G1025 T1047 G1049 | S1019-S1023 WeakPolarHBondContact O-CB 3.46Å; S1019-S1023 PolarHBondContact O-N 3.16Å; S1019-S1023 PolarHBondContact O-OG 2.82Å; C1020-S1023 PolarHBondContact O-N 3.44Å; S1023-G1025 VanDerWaalsContact C-N 3.32Å; S1023-T1047 WeakPolarHBondContact CA-OG1 3.36Å; S1023-T1047 PolarHBondContact O-OG1 3.45Å; S1023-G1049 WeakPolarHBondContact OG-CA 3.36Å; S1023-G1049 PolarHBondContact OG-O 3.38Å |
| 1024 | V | 87.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 1.5 | 177.8 | 176.2 | 0 | 0 | 0 | 0 | 112.1 | C1020 L1021 I1022 A1026 Y1035 L1039 L1053 T1063 | C1020-V1024 WeakPolarHBondContact O-CB 3.45Å; C1020-V1024 VanDerWaalsContact O-CG2 3.26Å; C1020-V1024 WeakPolarHBondContact O-CG2 3.47Å; C1020-V1024 PolarHBondContact O-N 2.99Å; L1021-V1024 PolarHBondContact O-N 3.46Å; I1022-V1024 PolarHBondContact O-N 3.02Å; V1024-A1026 VanDerWaalsContact C-N 3.25Å; V1024-A1026 PolarHBondContact O-N 3.19Å; V1024-Y1035 PolarHBondContact O-OH 3.43Å; V1024-L1039 HydrophobicContact CG1-CD1 3.37Å; V1024-L1039 HydrophobicContact CG1-CD2 3.19Å; V1024-L1039 HydrophobicContact CG1-CG 3.88Å; V1024-L1053 HydrophobicContact CG2-CD2 4.11Å; V1024-T1063 HydrophobicContact CG2-CG2 3.66Å |
| 1025 | G | 83.6 | Confident | 84.4 | Confident | 26 Ų | 26 | 24.1 Ų | 24.1 | 27% | 0.268 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 20.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1021 I1022 S1023 E1027 Y1035 | L1021-G1025 PolarHBondContact O-N 3.21Å; I1022-G1025 PolarHBondContact O-N 3.07Å; S1023-G1025 VanDerWaalsContact C-N 3.32Å; G1025-E1027 VanDerWaalsContact C-N 3.33Å; G1025-E1027 PolarHBondContact O-N 3.42Å; G1025-Y1035 WeakPolarHBondContact CA-OH 3.46Å |
| 1026 | A | 82.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -96.2 | 37 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q780 L1021 V1024 S1028 F1030 | Q780-A1026 PolarHBondContact NE2-O 2.95Å; L1021-A1026 HydrophobicContact CD1-CB 3.65Å; L1021-A1026 WeakPolarHBondContact CD1-O 3.26Å; L1021-A1026 HydrophobicContact CG-CB 4.23Å; L1021-A1026 WeakPolarHBondContact CG-O 3.32Å; L1021-A1026 PolarHBondContact O-N 3.1Å; V1024-A1026 VanDerWaalsContact C-N 3.25Å; V1024-A1026 PolarHBondContact O-N 3.19Å; A1026-S1028 CarbonylContact C-O 3.59Å; A1026-F1030 HydrophobicContact CB-CD1 4.5Å; A1026-F1030 HydrophobicContact CB-CE1 3.62Å; A1026-F1030 HydrophobicContact CB-CE2 4.44Å; A1026-F1030 HydrophobicContact CB-CZ 3.57Å | ||
| 1027 | E | 76.4 | Confident | 84.5 | Confident | 51 Ų | 51 | 24.1 Ų | 24.1 | 24% | 0.238 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -74.3 | -40 | 178.9 | -60.2 | -177 | -176.5 | 0 | 0 | 112 | Q780 R967 L971 I1022 G1025 | Q780-E1027 PolarHBondContact NE2-O 2.86Å; R967-E1027 IonicContact CZ-OE1 3.45Å; R967-E1027 IonicContact CZ-OE2 3.05Å; R967-E1027 VanDerWaalsContact NE-CD 3.29Å; R967-E1027 IonicContact NE-OE1 3.22Å; R967-E1027 PolarHBondContact NE-OE1 2.89Å; R967-E1027 IonicContact NE-OE2 2.88Å; R967-E1027 PolarHBondContact NE-OE2 3.28Å; R967-E1027 IonicContact NH1-OE1 2.95Å; R967-E1027 IonicContact NH2-OE1 2.68Å; R967-E1027 PolarHBondContact NH2-OE1 3.33Å; R967-E1027 IonicContact NH2-OE2 3.35Å; R967-E1027 PolarHBondContact NH2-OE2 3.43Å; L971-E1027 HydrophobicContact CD1-CB 4.22Å; L971-E1027 HydrophobicContact CD1-CG 3.93Å; I1022-E1027 HydrophobicContact CB-CG 4.43Å; I1022-E1027 HydrophobicContact CG1-CG 3.96Å; I1022-E1027 WeakPolarHBondContact CG1-OE1 3.42Å; I1022-E1027 WeakPolarHBondContact CG2-OE1 3.37Å; G1025-E1027 VanDerWaalsContact C-N 3.33Å; G1025-E1027 PolarHBondContact O-N 3.42Å |
| 1028 | S | 73.1 | Confident | 84.4 | Confident | 76 Ų | 76 | 29.4 Ų | 29.4 | 53% | 0.531 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -96.1 | 154.1 | 162.6 | 56.1 | 0 | 0 | 0 | 0 | 109.4 | A1026 F1030 | A1026-S1028 CarbonylContact C-O 3.59Å; S1028-F1030 PolarHBondContact O-N 2.93Å |
| 1029 | A | 69.8 | Low | 84.4 | Confident | 35 Ų | 35 | 29.5 Ų | 29.5 | 29% | 0.289 | 17% | 0.169 | S | C | . | . | P | Polyproline II helix | trans | -48 | 140.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | R777 T1031 | R777-A1029 HydrophobicContact CB-CB 4.49Å; A1029-T1031 WeakPolarHBondContact O-CG2 2.94Å; A1029-T1031 PolarHBondContact O-N 2.82Å |
| 1030 | F | 76.6 | Confident | 84.4 | Confident | 6 Ų | 6 | 29.4 Ų | 29.4 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -51.3 | 130.3 | -177.2 | -63.2 | -74.5 | 0 | 0 | 0 | 110.3 | L776 L779 Q780 A1026 S1028 Y1035 I1036 L1039 F1067 | L776-F1030 WeakPolarHBondContact CD1-O 3.22Å; L776-F1030 HydrophobicContact CD2-CB 3.95Å; L779-F1030 HydrophobicContact CB-CD2 4.23Å; L779-F1030 HydrophobicContact CB-CE2 4.31Å; L779-F1030 HydrophobicContact CD2-CD2 3.67Å; L779-F1030 HydrophobicContact CD2-CE2 3.85Å; L779-F1030 HydrophobicContact CD2-CG 4.46Å; L779-F1030 HydrophobicContact CG-CD2 3.97Å; L779-F1030 HydrophobicContact CG-CE2 3.78Å; Q780-F1030 HydrophobicContact CB-CE2 4.41Å; A1026-F1030 HydrophobicContact CB-CD1 4.5Å; A1026-F1030 HydrophobicContact CB-CE1 3.62Å; A1026-F1030 HydrophobicContact CB-CE2 4.44Å; A1026-F1030 HydrophobicContact CB-CZ 3.57Å; S1028-F1030 PolarHBondContact O-N 2.93Å; F1030-Y1035 AromaticContact CD1-CD1 3.75Å; F1030-Y1035 HydrophobicContact CD1-CD1 3.75Å; F1030-Y1035 AromaticContact CD1-CE1 3.84Å; F1030-Y1035 HydrophobicContact CD1-CE1 3.84Å; F1030-Y1035 HydrophobicContact CE1-CD1 4.31Å; F1030-Y1035 HydrophobicContact CE1-CE1 4.03Å; F1030-I1036 HydrophobicContact CB-CD1 3.86Å; F1030-I1036 HydrophobicContact CB-CG1 3.89Å; F1030-I1036 HydrophobicContact CD1-CG1 4.28Å; F1030-I1036 HydrophobicContact CG-CD1 4.3Å; F1030-I1036 HydrophobicContact CG-CG1 4.01Å; F1030-L1039 HydrophobicContact CE1-CD2 3.7Å; F1030-L1039 HydrophobicContact CZ-CD2 4.25Å; F1030-F1067 AromaticContact CE1-CE2 3.89Å; F1030-F1067 HydrophobicContact CE1-CE2 3.89Å; F1030-F1067 AromaticContact CE2-CE2 3.97Å; F1030-F1067 HydrophobicContact CE2-CE2 3.97Å; F1030-F1067 HydrophobicContact CZ-CD2 4.09Å; F1030-F1067 AromaticContact CZ-CE2 3.47Å; F1030-F1067 HydrophobicContact CZ-CE2 3.47Å; F1030-F1067 VanDerWaalsContact CZ-CE2 3.47Å; F1030-F1067 HydrophobicContact CZ-CZ 4.47Å |
| 1031 | T | 70.9 | Confident | 84.4 | Confident | 107 Ų | 107 | 31.2 Ų | 31.2 | 66% | 0.656 | 18% | 0.181 | S | C | * | . | trans | -97.5 | -21.2 | -167 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | A1029 | A1029-T1031 WeakPolarHBondContact O-CG2 2.94Å; A1029-T1031 PolarHBondContact O-N 2.82Å | ||
| 1032 | S | 82.8 | Confident | 84.3 | Confident | 31 Ų | 31 | 32 Ų | 32 | 22% | 0.217 | 19% | 0.189 | C | C | . | . | trans | -142.3 | 146.3 | 177.3 | 77.1 | 0 | 0 | 0 | 0 | 113.5 | S1034 Y1035 I1036 | S1032-S1034 PolarHBondContact O-N 2.85Å; S1032-S1034 PolarHBondContact OG-OG 3.25Å; S1032-Y1035 WeakPolarHBondContact O-CB 3.45Å; S1032-Y1035 PolarHBondContact O-N 3.21Å; S1032-Y1035 VanDerWaalsContact O-N 3.08Å; S1032-Y1035 WeakPolarHBondContact OG-CB 3.34Å; S1032-Y1035 PolarHBondContact OG-N 3.35Å; S1032-I1036 PolarHBondContact O-N 3.36Å | ||
| 1033 | P | 85.4 | Confident | 84.3 | Confident | 26 Ų | 26 | 36.6 Ų | 36.6 | 17% | 0.169 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -53.2 | -37.9 | 168.3 | -28.3 | 34.9 | 0 | 0 | 0 | 113.3 | I770 D771 Y1035 I1036 Y1037 Y1133 | I770-P1033 HydrophobicContact CD1-CB 3.8Å; I770-P1033 HydrophobicContact CG1-CB 4.05Å; I770-P1033 HydrophobicContact CG1-CG 4.27Å; D771-P1033 WeakPolarHBondContact OD1-CG 3.38Å; P1033-Y1035 VanDerWaalsContact C-N 3.28Å; P1033-Y1035 PolarHBondContact O-N 3.24Å; P1033-I1036 PolarHBondContact O-N 3.46Å; P1033-Y1037 PolarHBondContact O-N 3.5Å; P1033-Y1133 HydrophobicContact CB-CD2 3.96Å; P1033-Y1133 HydrophobicContact CB-CE2 3.52Å |
| 1034 | S | 86.6 | Confident | 84 | Confident | 41 Ų | 41 | 37.3 Ų | 37.3 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67 | -28.4 | 178.7 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | S1032 R1038 Y1133 | S1032-S1034 PolarHBondContact O-N 2.85Å; S1032-S1034 PolarHBondContact OG-OG 3.25Å; S1034-R1038 WeakPolarHBondContact O-CB 3.37Å; S1034-R1038 WeakPolarHBondContact O-CG 3.39Å; S1034-R1038 PolarHBondContact O-N 2.91Å; S1034-R1038 PolarHBondContact O-NE 3.24Å; S1034-Y1133 WeakPolarHBondContact CA-OH 3.47Å; S1034-Y1133 WeakPolarHBondContact CB-OH 3.42Å; S1034-Y1133 PolarHBondContact N-OH 2.92Å |
| 1035 | Y | 88.1 | Confident | 83.6 | Confident | 35 Ų | 35 | 38.9 Ų | 38.9 | 14% | 0.137 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.9 | -46.5 | 173.2 | -171.5 | -83.4 | 0 | 0 | 0 | 110.4 | V1024 G1025 F1030 S1032 P1033 Y1037 R1038 L1039 P1045 | V1024-Y1035 PolarHBondContact O-OH 3.43Å; G1025-Y1035 WeakPolarHBondContact CA-OH 3.46Å; F1030-Y1035 AromaticContact CD1-CD1 3.75Å; F1030-Y1035 HydrophobicContact CD1-CD1 3.75Å; F1030-Y1035 AromaticContact CD1-CE1 3.84Å; F1030-Y1035 HydrophobicContact CD1-CE1 3.84Å; F1030-Y1035 HydrophobicContact CE1-CD1 4.31Å; F1030-Y1035 HydrophobicContact CE1-CE1 4.03Å; S1032-Y1035 WeakPolarHBondContact O-CB 3.45Å; S1032-Y1035 PolarHBondContact O-N 3.21Å; S1032-Y1035 VanDerWaalsContact O-N 3.08Å; S1032-Y1035 WeakPolarHBondContact OG-CB 3.34Å; S1032-Y1035 PolarHBondContact OG-N 3.35Å; P1033-Y1035 VanDerWaalsContact C-N 3.28Å; P1033-Y1035 PolarHBondContact O-N 3.24Å; Y1035-Y1037 VanDerWaalsContact C-N 3.33Å; Y1035-Y1037 PolarHBondContact O-N 3.31Å; Y1035-R1038 PolarHBondContact O-N 3.29Å; Y1035-L1039 HydrophobicContact CE1-CD2 4.21Å; Y1035-L1039 WeakPolarHBondContact O-CB 3.35Å; Y1035-L1039 PolarHBondContact O-N 3.33Å; Y1035-P1045 HydrophobicContact CD2-CG 4Å; Y1035-P1045 HydrophobicContact CE2-CB 4.2Å; Y1035-P1045 HydrophobicContact CE2-CG 3.54Å |
| 1036 | I | 90 | Very high | 83.5 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 178 | -73.5 | 166.2 | 0 | 0 | 0 | 111.3 | L776 L779 F1030 S1032 P1033 L1039 Y1040 F1067 F1071 | L776-I1036 HydrophobicContact CD2-CD1 3.11Å; L776-I1036 HydrophobicContact CD2-CG1 4.47Å; L779-I1036 HydrophobicContact CD2-CD1 3.77Å; L779-I1036 HydrophobicContact CD2-CG1 4.09Å; F1030-I1036 HydrophobicContact CB-CD1 3.86Å; F1030-I1036 HydrophobicContact CB-CG1 3.89Å; F1030-I1036 HydrophobicContact CD1-CG1 4.28Å; F1030-I1036 HydrophobicContact CG-CD1 4.3Å; F1030-I1036 HydrophobicContact CG-CG1 4.01Å; S1032-I1036 PolarHBondContact O-N 3.36Å; P1033-I1036 PolarHBondContact O-N 3.46Å; I1036-L1039 PolarHBondContact O-N 3.44Å; I1036-Y1040 WeakPolarHBondContact O-CB 3.38Å; I1036-Y1040 PolarHBondContact O-N 3.01Å; I1036-F1067 HydrophobicContact CB-CZ 4.44Å; I1036-F1067 HydrophobicContact CG1-CZ 4.43Å; I1036-F1067 HydrophobicContact CG2-CE1 4.46Å; I1036-F1067 HydrophobicContact CG2-CZ 4.01Å; I1036-F1071 HydrophobicContact CG2-CD2 3.65Å; I1036-F1071 HydrophobicContact CG2-CE2 3.52Å |
| 1037 | Y | 90 | Very high | 83.5 | Confident | 60 Ų | 60 | 47.7 Ų | 47.7 | 24% | 0.235 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 178.2 | -179.7 | -104.4 | 0 | 0 | 0 | 112 | P1033 Y1035 L1039 Y1040 C1041 L1124 H1126 Y1133 | P1033-Y1037 PolarHBondContact O-N 3.5Å; Y1035-Y1037 VanDerWaalsContact C-N 3.33Å; Y1035-Y1037 PolarHBondContact O-N 3.31Å; Y1037-L1039 VanDerWaalsContact C-N 3.34Å; Y1037-L1039 PolarHBondContact O-N 3.43Å; Y1037-Y1040 WeakPolarHBondContact O-CB 3.31Å; Y1037-Y1040 PolarHBondContact O-N 3.41Å; Y1037-C1041 PolarHBondContact O-N 3.41Å; Y1037-C1041 PolarHBondContact O-SG 3.33Å; Y1037-L1124 HydrophobicContact CD2-CD2 3.76Å; Y1037-L1124 HydrophobicContact CD2-CG 3.81Å; Y1037-L1124 HydrophobicContact CE2-CG 4.27Å; Y1037-H1126 HydrophobicContact CD1-CB 4.28Å; Y1037-H1126 HydrophobicContact CD2-CB 4.16Å; Y1037-H1126 HydrophobicContact CE1-CB 3.87Å; Y1037-H1126 HydrophobicContact CE2-CB 3.76Å; Y1037-H1126 HydrophobicContact CG-CB 4.42Å; Y1037-Y1133 HydrophobicContact CD1-CE1 4.16Å; Y1037-Y1133 AromaticContact CD2-CD1 3.89Å; Y1037-Y1133 HydrophobicContact CD2-CD1 3.89Å; Y1037-Y1133 HydrophobicContact CD2-CE1 4.01Å; Y1037-Y1133 AromaticContact CG-CD1 3.95Å; Y1037-Y1133 HydrophobicContact CG-CD1 3.95Å; Y1037-Y1133 AromaticContact CG-CE1 3.58Å; Y1037-Y1133 HydrophobicContact CG-CE1 3.58Å |
| 1038 | R | 90.1 | Very high | 83.6 | Confident | 111 Ų | 111 | 51.1 Ų | 51.1 | 42% | 0.419 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 177.5 | -81.8 | -172.5 | -85.6 | -178.4 | -7.7 | 112.3 | S1034 Y1035 Y1040 C1041 G1042 D1043 | S1034-R1038 WeakPolarHBondContact O-CB 3.37Å; S1034-R1038 WeakPolarHBondContact O-CG 3.39Å; S1034-R1038 PolarHBondContact O-N 2.91Å; S1034-R1038 PolarHBondContact O-NE 3.24Å; Y1035-R1038 PolarHBondContact O-N 3.29Å; R1038-Y1040 PolarHBondContact O-N 3.45Å; R1038-C1041 CarbonylContact O-C 3.54Å; R1038-C1041 WeakPolarHBondContact O-CA 3.48Å; R1038-C1041 WeakPolarHBondContact O-CB 3.48Å; R1038-C1041 PolarHBondContact O-N 3.45Å; R1038-C1041 VanDerWaalsContact O-N 3.15Å; R1038-G1042 PolarHBondContact O-N 3Å; R1038-G1042 VanDerWaalsContact O-N 3.15Å; R1038-D1043 CarbonylContact C-O 3.52Å; R1038-D1043 HydrophobicContact CB-CB 4.34Å; R1038-D1043 WeakPolarHBondContact CB-O 3.32Å; R1038-D1043 PolarHBondContact O-N 3.45Å |
| 1039 | L | 90.5 | Very high | 84.1 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 175.8 | 178.5 | 55 | 0 | 0 | 0 | 112.5 | V1024 F1030 Y1035 I1036 Y1037 C1041 G1042 V1044 L1064 F1067 | V1024-L1039 HydrophobicContact CG1-CD1 3.37Å; V1024-L1039 HydrophobicContact CG1-CD2 3.19Å; V1024-L1039 HydrophobicContact CG1-CG 3.88Å; F1030-L1039 HydrophobicContact CE1-CD2 3.7Å; F1030-L1039 HydrophobicContact CZ-CD2 4.25Å; Y1035-L1039 HydrophobicContact CE1-CD2 4.21Å; Y1035-L1039 WeakPolarHBondContact O-CB 3.35Å; Y1035-L1039 PolarHBondContact O-N 3.33Å; I1036-L1039 PolarHBondContact O-N 3.44Å; Y1037-L1039 VanDerWaalsContact C-N 3.34Å; Y1037-L1039 PolarHBondContact O-N 3.43Å; L1039-C1041 VanDerWaalsContact C-N 3.26Å; L1039-C1041 PolarHBondContact O-N 3.03Å; L1039-G1042 PolarHBondContact O-N 3.35Å; L1039-V1044 HydrophobicContact CD1-CB 4.49Å; L1039-V1044 HydrophobicContact CD1-CG1 4.3Å; L1039-V1044 HydrophobicContact CD1-CG2 3.7Å; L1039-L1064 WeakPolarHBondContact O-CD1 3.12Å; L1039-F1067 HydrophobicContact CB-CD1 4.41Å; L1039-F1067 HydrophobicContact CB-CE1 3.9Å; L1039-F1067 HydrophobicContact CB-CZ 4.1Å; L1039-F1067 HydrophobicContact CD2-CD1 4.05Å; L1039-F1067 HydrophobicContact CD2-CD2 3.58Å; L1039-F1067 HydrophobicContact CD2-CE1 3.83Å; L1039-F1067 HydrophobicContact CD2-CE2 3.35Å; L1039-F1067 HydrophobicContact CD2-CG 3.92Å; L1039-F1067 HydrophobicContact CD2-CZ 3.46Å; L1039-F1067 VanDerWaalsContact CD2-CZ 3.46Å; L1039-F1067 HydrophobicContact CG-CD1 3.68Å; L1039-F1067 HydrophobicContact CG-CD2 4.12Å; L1039-F1067 HydrophobicContact CG-CE1 3.59Å; L1039-F1067 HydrophobicContact CG-CE2 4.06Å; L1039-F1067 HydrophobicContact CG-CG 3.93Å; L1039-F1067 HydrophobicContact CG-CZ 3.78Å |
| 1040 | Y | 92.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -38.8 | 174.4 | -172.8 | -84.3 | 0 | 0 | 0 | 111.8 | I1036 Y1037 R1038 G1042 R1068 F1071 I1102 G1103 L1104 F1122 L1124 | I1036-Y1040 WeakPolarHBondContact O-CB 3.38Å; I1036-Y1040 PolarHBondContact O-N 3.01Å; Y1037-Y1040 WeakPolarHBondContact O-CB 3.31Å; Y1037-Y1040 PolarHBondContact O-N 3.41Å; R1038-Y1040 PolarHBondContact O-N 3.45Å; Y1040-G1042 PolarHBondContact O-N 2.85Å; Y1040-R1068 HydrophobicContact CD2-CG 3.87Å; Y1040-R1068 HydrophobicContact CE2-CB 4.11Å; Y1040-R1068 HydrophobicContact CE2-CG 3.7Å; Y1040-R1068 HydrophobicContact CG-CG 4.46Å; Y1040-R1068 PolarHBondContact O-NE 2.98Å; Y1040-R1068 PolarHBondContact O-NH2 2.67Å; Y1040-R1068 VanDerWaalsContact O-NH2 3.1Å; Y1040-F1071 HydrophobicContact CD2-CB 4.33Å; Y1040-F1071 HydrophobicContact CD2-CD1 4.25Å; Y1040-F1071 HydrophobicContact CD2-CG 4.27Å; Y1040-F1071 HydrophobicContact CE2-CB 4.5Å; Y1040-F1071 HydrophobicContact CE2-CD1 4.14Å; Y1040-I1102 HydrophobicContact CE2-CG2 4.42Å; Y1040-G1103 PolarHBondContact OH-N 2.94Å; Y1040-G1103 PolarHBondContact OH-O 3.31Å; Y1040-L1104 HydrophobicContact CD1-CD2 3.89Å; Y1040-L1104 HydrophobicContact CE1-CD2 3.95Å; Y1040-F1122 HydrophobicContact CE2-CE1 4.41Å; Y1040-F1122 PolarHBondContact OH-O 3.17Å; Y1040-L1124 HydrophobicContact CD1-CB 3.71Å; Y1040-L1124 HydrophobicContact CD1-CD2 4.29Å; Y1040-L1124 HydrophobicContact CD2-CB 4.17Å; Y1040-L1124 HydrophobicContact CD2-CD2 4.23Å; Y1040-L1124 HydrophobicContact CE1-CB 3.65Å; Y1040-L1124 HydrophobicContact CE2-CB 4.11Å; Y1040-L1124 HydrophobicContact CG-CB 3.98Å; Y1040-L1124 HydrophobicContact CG-CD2 3.89Å |
| 1041 | C | 90.2 | Very high | 85.3 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 26% | 0.264 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -10.9 | 175.1 | -65.9 | 0 | 0 | 0 | 0 | 114 | Y1037 R1038 L1039 D1043 L1104 | Y1037-C1041 PolarHBondContact O-N 3.41Å; Y1037-C1041 PolarHBondContact O-SG 3.33Å; R1038-C1041 CarbonylContact O-C 3.54Å; R1038-C1041 WeakPolarHBondContact O-CA 3.48Å; R1038-C1041 WeakPolarHBondContact O-CB 3.48Å; R1038-C1041 PolarHBondContact O-N 3.45Å; R1038-C1041 VanDerWaalsContact O-N 3.15Å; L1039-C1041 VanDerWaalsContact C-N 3.26Å; L1039-C1041 PolarHBondContact O-N 3.03Å; C1041-D1043 VanDerWaalsContact C-N 3.3Å; C1041-L1104 HydrophobicContact CB-CD1 4.4Å; C1041-L1104 HydrophobicContact CB-CD2 4.4Å |
| 1042 | G | 88.3 | Confident | 86.1 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 17% | 0.165 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 1.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1038 L1039 Y1040 V1044 Y1060 | R1038-G1042 PolarHBondContact O-N 3Å; R1038-G1042 VanDerWaalsContact O-N 3.15Å; L1039-G1042 PolarHBondContact O-N 3.35Å; Y1040-G1042 PolarHBondContact O-N 2.85Å; G1042-V1044 VanDerWaalsContact C-N 3.28Å; G1042-V1044 PolarHBondContact O-N 2.95Å; G1042-Y1060 PolarHBondContact O-OH 3.47Å |
| 1043 | D | 86.8 | Confident | 86.4 | Confident | 99 Ų | 99 | 46 Ų | 46 | 53% | 0.529 | 23% | 0.226 | S | C | . | . | trans | -81.5 | 76.3 | 171.9 | -176 | 28.7 | 0 | 0 | 0 | 109.3 | R1038 C1041 P1045 | R1038-D1043 CarbonylContact C-O 3.52Å; R1038-D1043 HydrophobicContact CB-CB 4.34Å; R1038-D1043 WeakPolarHBondContact CB-O 3.32Å; R1038-D1043 PolarHBondContact O-N 3.45Å; C1041-D1043 VanDerWaalsContact C-N 3.3Å; D1043-P1045 WeakPolarHBondContact O-CD 3.36Å | ||
| 1044 | V | 81.8 | Confident | 86.4 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -78.2 | 123.3 | -178.3 | -168.7 | 0 | 0 | 0 | 0 | 109.2 | L1039 G1042 L1050 Y1060 | L1039-V1044 HydrophobicContact CD1-CB 4.49Å; L1039-V1044 HydrophobicContact CD1-CG1 4.3Å; L1039-V1044 HydrophobicContact CD1-CG2 3.7Å; G1042-V1044 VanDerWaalsContact C-N 3.28Å; G1042-V1044 PolarHBondContact O-N 2.95Å; V1044-L1050 HydrophobicContact CB-CD1 3.81Å; V1044-L1050 HydrophobicContact CB-CD2 4.28Å; V1044-L1050 HydrophobicContact CG1-CD1 3.85Å; V1044-L1050 HydrophobicContact CG1-CD2 4.47Å; V1044-L1050 HydrophobicContact CG2-CD1 4.34Å; V1044-L1050 WeakPolarHBondContact O-CD2 3.38Å; V1044-Y1060 HydrophobicContact CG2-CE2 4.23Å |
| 1045 | P | 79.6 | Confident | 86.4 | Confident | 38 Ų | 38 | 49.6 Ų | 49.6 | 25% | 0.247 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -58 | 146.1 | 173.8 | -27.1 | 39.1 | 0 | 0 | 0 | 111.5 | Y1035 D1043 T1047 | Y1035-P1045 HydrophobicContact CD2-CG 4Å; Y1035-P1045 HydrophobicContact CE2-CB 4.2Å; Y1035-P1045 HydrophobicContact CE2-CG 3.54Å; D1043-P1045 WeakPolarHBondContact O-CD 3.36Å; P1045-T1047 PolarHBondContact O-N 3.21Å |
| 1046 | W | 81.6 | Confident | 86.4 | Confident | 185 Ų | 185 | 48.6 Ų | 48.6 | 70% | 0.701 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 128.4 | -175.4 | -175.6 | 85.4 | 0 | 0 | 0 | 112.1 | ||
| 1047 | T | 83.3 | Confident | 86.4 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 16% | 0.16 | 29% | 0.285 | C | S | . | . | trans | -134.7 | 161.3 | 173 | 68.1 | 0 | 0 | 0 | 0 | 109.9 | S1023 P1045 G1049 L1050 | S1023-T1047 WeakPolarHBondContact CA-OG1 3.36Å; S1023-T1047 PolarHBondContact O-OG1 3.45Å; P1045-T1047 PolarHBondContact O-N 3.21Å; T1047-G1049 PolarHBondContact O-N 2.92Å; T1047-G1049 VanDerWaalsContact O-N 3.1Å; T1047-L1050 WeakPolarHBondContact O-CB 3.48Å; T1047-L1050 PolarHBondContact O-N 2.83Å; T1047-L1050 VanDerWaalsContact O-N 3.12Å; T1047-L1050 PolarHBondContact OG1-N 3.41Å | ||
| 1048 | E | 79.2 | Confident | 86.4 | Confident | 123 Ų | 123 | 57.9 Ų | 57.9 | 58% | 0.575 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.8 | 178.7 | -65.5 | 179.2 | 155 | 0 | 0 | 113.7 | R967 | R967-E1048 IonicContact NH1-OE2 3.54Å; R967-E1048 PolarHBondContact NH1-OE2 3.35Å |
| 1049 | G | 82.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -11.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | S1023 T1047 D1051 W1052 L1053 | S1023-G1049 WeakPolarHBondContact OG-CA 3.36Å; S1023-G1049 PolarHBondContact OG-O 3.38Å; T1047-G1049 PolarHBondContact O-N 2.92Å; T1047-G1049 VanDerWaalsContact O-N 3.1Å; G1049-D1051 PolarHBondContact O-N 3.41Å; G1049-W1052 WeakPolarHBondContact O-CB 3.13Å; G1049-W1052 PolarHBondContact O-N 2.89Å; G1049-L1053 PolarHBondContact O-N 3.42Å |
| 1050 | L | 85.5 | Confident | 86.5 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 12% | 0.12 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.7 | -37.9 | -172.2 | -175.4 | 61.9 | 0 | 0 | 0 | 112.8 | V1044 T1047 W1052 L1053 S1054 | V1044-L1050 HydrophobicContact CB-CD1 3.81Å; V1044-L1050 HydrophobicContact CB-CD2 4.28Å; V1044-L1050 HydrophobicContact CG1-CD1 3.85Å; V1044-L1050 HydrophobicContact CG1-CD2 4.47Å; V1044-L1050 HydrophobicContact CG2-CD1 4.34Å; V1044-L1050 WeakPolarHBondContact O-CD2 3.38Å; T1047-L1050 WeakPolarHBondContact O-CB 3.48Å; T1047-L1050 PolarHBondContact O-N 2.83Å; T1047-L1050 VanDerWaalsContact O-N 3.12Å; T1047-L1050 PolarHBondContact OG1-N 3.41Å; L1050-W1052 VanDerWaalsContact C-N 3.29Å; L1050-W1052 PolarHBondContact O-N 3.08Å; L1050-L1053 PolarHBondContact O-N 2.89Å; L1050-S1054 VanDerWaalsContact O-CB 3.31Å; L1050-S1054 WeakPolarHBondContact O-CB 3.37Å; L1050-S1054 PolarHBondContact O-N 2.96Å; L1050-S1054 PolarHBondContact O-OG 3.27Å |
| 1051 | D | 85.1 | Confident | 86.5 | Confident | 102 Ų | 102 | 61.2 Ų | 61.2 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 177.5 | -67.7 | -22 | 0 | 0 | 0 | 111.5 | G1049 S1054 S1055 | G1049-D1051 PolarHBondContact O-N 3.41Å; D1051-S1054 WeakPolarHBondContact CA-OG 3.5Å; D1051-S1054 PolarHBondContact O-OG 3.39Å; D1051-S1055 WeakPolarHBondContact O-CB 3.35Å; D1051-S1055 PolarHBondContact O-N 2.9Å; D1051-S1055 VanDerWaalsContact O-N 3.12Å |
| 1052 | W | 89.4 | Confident | 86.7 | Confident | 20 Ų | 20 | 60.2 Ų | 60.2 | 8% | 0.076 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.4 | -46 | 173.4 | 163.7 | 77.6 | 0 | 0 | 0 | 111.5 | W958 A961 P962 G1049 L1050 S1055 L1059 | W958-W1052 VanDerWaalsContact O-CZ2 3.26Å; W958-W1052 WeakPolarHBondContact O-CZ2 3.27Å; A961-W1052 HydrophobicContact CB-CD2 3.72Å; A961-W1052 HydrophobicContact CB-CE3 3.98Å; A961-W1052 HydrophobicContact CB-CG 4.29Å; A961-W1052 HydrophobicContact CB-CH2 4.12Å; A961-W1052 HydrophobicContact CB-CZ2 3.89Å; A961-W1052 HydrophobicContact CB-CZ3 4.17Å; P962-W1052 VanDerWaalsContact CD-CB 3.42Å; P962-W1052 HydrophobicContact CG-CB 3.96Å; G1049-W1052 WeakPolarHBondContact O-CB 3.13Å; G1049-W1052 PolarHBondContact O-N 2.89Å; L1050-W1052 VanDerWaalsContact C-N 3.29Å; L1050-W1052 PolarHBondContact O-N 3.08Å; W1052-S1055 WeakPolarHBondContact O-CB 3.08Å; W1052-S1055 PolarHBondContact O-N 3.27Å; W1052-S1055 PolarHBondContact O-OG 3.47Å; W1052-L1059 HydrophobicContact CH2-CD2 3.52Å; W1052-L1059 HydrophobicContact CZ2-CD2 3.62Å; W1052-L1059 HydrophobicContact CZ3-CD2 4.32Å |
| 1053 | L | 88.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63 | -45.8 | 179.5 | -175.4 | 66.5 | 0 | 0 | 0 | 111.4 | V1024 G1049 L1050 S1055 S1056 L1059 Y1060 T1063 | V1024-L1053 HydrophobicContact CG2-CD2 4.11Å; G1049-L1053 PolarHBondContact O-N 3.42Å; L1050-L1053 PolarHBondContact O-N 2.89Å; L1053-S1055 VanDerWaalsContact C-N 3.29Å; L1053-S1055 PolarHBondContact O-N 2.86Å; L1053-S1056 PolarHBondContact O-N 2.93Å; L1053-S1056 VanDerWaalsContact O-O 3.11Å; L1053-L1059 HydrophobicContact CD1-CB 4.42Å; L1053-L1059 HydrophobicContact CD1-CD2 3.96Å; L1053-L1059 HydrophobicContact CD1-CG 3.74Å; L1053-Y1060 HydrophobicContact CD2-CD2 3.91Å; L1053-Y1060 HydrophobicContact CG-CD2 3.92Å; L1053-T1063 HydrophobicContact CD2-CG2 4.14Å |
| 1054 | S | 85.9 | Confident | 87.2 | Confident | 61 Ų | 61 | 56 Ų | 56 | 43% | 0.427 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.5 | -23.5 | 179.8 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | L1050 D1051 S1056 | L1050-S1054 VanDerWaalsContact O-CB 3.31Å; L1050-S1054 WeakPolarHBondContact O-CB 3.37Å; L1050-S1054 PolarHBondContact O-N 2.96Å; L1050-S1054 PolarHBondContact O-OG 3.27Å; D1051-S1054 WeakPolarHBondContact CA-OG 3.5Å; D1051-S1054 PolarHBondContact O-OG 3.39Å; S1054-S1056 PolarHBondContact O-N 3.39Å |
| 1055 | S | 86.7 | Confident | 87.8 | Confident | 82 Ų | 82 | 58 Ų | 58 | 57% | 0.573 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63 | -25.1 | 172.8 | 78.7 | 0 | 0 | 0 | 0 | 113.3 | D1051 W1052 L1053 | D1051-S1055 WeakPolarHBondContact O-CB 3.35Å; D1051-S1055 PolarHBondContact O-N 2.9Å; D1051-S1055 VanDerWaalsContact O-N 3.12Å; W1052-S1055 WeakPolarHBondContact O-CB 3.08Å; W1052-S1055 PolarHBondContact O-N 3.27Å; W1052-S1055 PolarHBondContact O-OG 3.47Å; L1053-S1055 VanDerWaalsContact C-N 3.29Å; L1053-S1055 PolarHBondContact O-N 2.86Å |
| 1056 | S | 87.9 | Confident | 88.6 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 11% | 0.105 | 28% | 0.276 | C | S | . | . | trans | -111.8 | 98.8 | 178.8 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | W958 L1053 S1054 D1058 L1059 Y1060 | W958-S1056 PolarHBondContact NE1-OG 3.13Å; L1053-S1056 PolarHBondContact O-N 2.93Å; L1053-S1056 VanDerWaalsContact O-O 3.11Å; S1054-S1056 PolarHBondContact O-N 3.39Å; S1056-D1058 VanDerWaalsContact C-N 3.28Å; S1056-D1058 PolarHBondContact O-N 3.13Å; S1056-L1059 PolarHBondContact O-N 2.88Å; S1056-L1059 WeakPolarHBondContact OG-CB 3.14Å; S1056-L1059 PolarHBondContact OG-N 3.06Å; S1056-Y1060 WeakPolarHBondContact O-CB 3.32Å; S1056-Y1060 PolarHBondContact O-N 2.81Å | ||
| 1057 | K | 88.5 | Confident | 89.2 | Confident | 166 Ų | 166 | 47.4 Ų | 47.4 | 72% | 0.722 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -53.6 | -44.4 | -179.8 | -67.7 | -174.8 | 178.4 | -177.4 | 0 | 112.6 | Q1061 | K1057-Q1061 WeakPolarHBondContact O-CB 3.46Å; K1057-Q1061 WeakPolarHBondContact O-CG 3.38Å; K1057-Q1061 PolarHBondContact O-N 3.11Å |
| 1058 | D | 90 | Very high | 89.8 | Confident | 89 Ų | 89 | 47 Ų | 47 | 48% | 0.476 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.1 | -44.6 | -177.7 | -61.7 | -10.3 | 0 | 0 | 0 | 112 | W958 S1056 Q1061 L1062 | W958-D1058 HydrophobicContact CZ2-CB 3.89Å; S1056-D1058 VanDerWaalsContact C-N 3.28Å; S1056-D1058 PolarHBondContact O-N 3.13Å; D1058-Q1061 PolarHBondContact O-N 2.89Å; D1058-L1062 WeakPolarHBondContact O-CG 3.16Å; D1058-L1062 PolarHBondContact O-N 2.99Å |
| 1059 | L | 92.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.4 | -39.6 | 180 | -175.6 | 62.9 | 0 | 0 | 0 | 111.3 | L791 W958 V1016 W1052 L1053 S1056 L1062 T1063 | L791-L1059 HydrophobicContact CD2-CD1 4.14Å; W958-L1059 HydrophobicContact CB-CD2 4.1Å; W958-L1059 HydrophobicContact CD2-CB 4.11Å; W958-L1059 HydrophobicContact CD2-CD1 4Å; W958-L1059 HydrophobicContact CD2-CD2 4.26Å; W958-L1059 HydrophobicContact CD2-CG 4.35Å; W958-L1059 HydrophobicContact CE3-CD1 3.79Å; W958-L1059 HydrophobicContact CG-CB 4.4Å; W958-L1059 HydrophobicContact CG-CD1 4.5Å; W958-L1059 HydrophobicContact CG-CD2 3.93Å; W958-L1059 HydrophobicContact CZ2-CB 4.21Å; W958-L1059 HydrophobicContact CZ3-CD1 4.15Å; V1016-L1059 HydrophobicContact CG1-CD1 4.16Å; W1052-L1059 HydrophobicContact CH2-CD2 3.52Å; W1052-L1059 HydrophobicContact CZ2-CD2 3.62Å; W1052-L1059 HydrophobicContact CZ3-CD2 4.32Å; L1053-L1059 HydrophobicContact CD1-CB 4.42Å; L1053-L1059 HydrophobicContact CD1-CD2 3.96Å; L1053-L1059 HydrophobicContact CD1-CG 3.74Å; S1056-L1059 PolarHBondContact O-N 2.88Å; S1056-L1059 WeakPolarHBondContact OG-CB 3.14Å; S1056-L1059 PolarHBondContact OG-N 3.06Å; L1059-L1062 PolarHBondContact O-N 3.39Å; L1059-T1063 VanDerWaalsContact O-CB 3.31Å; L1059-T1063 WeakPolarHBondContact O-CB 3.46Å; L1059-T1063 PolarHBondContact O-N 3.48Å; L1059-T1063 PolarHBondContact O-OG1 3.22Å |
| 1060 | Y | 91.8 | Very high | 91.2 | Very high | 58 Ų | 58 | 41.5 Ų | 41.5 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 174.3 | -179.8 | -95.8 | 0 | 0 | 0 | 111.2 | G1042 V1044 L1053 S1056 T1063 L1064 | G1042-Y1060 PolarHBondContact O-OH 3.47Å; V1044-Y1060 HydrophobicContact CG2-CE2 4.23Å; L1053-Y1060 HydrophobicContact CD2-CD2 3.91Å; L1053-Y1060 HydrophobicContact CG-CD2 3.92Å; S1056-Y1060 WeakPolarHBondContact O-CB 3.32Å; S1056-Y1060 PolarHBondContact O-N 2.81Å; Y1060-T1063 PolarHBondContact O-N 3.29Å; Y1060-L1064 HydrophobicContact CE1-CD2 4.44Å; Y1060-L1064 WeakPolarHBondContact O-CB 3.29Å; Y1060-L1064 PolarHBondContact O-N 2.89Å |
| 1061 | Q | 91.6 | Very high | 91.6 | Very high | 128 Ų | 128 | 40.5 Ų | 40.5 | 60% | 0.598 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -62.9 | -44.8 | 176.2 | -76.6 | -178.8 | -9.2 | 0 | 0 | 112.7 | K1057 D1058 T1063 L1064 Q1065 | K1057-Q1061 WeakPolarHBondContact O-CB 3.46Å; K1057-Q1061 WeakPolarHBondContact O-CG 3.38Å; K1057-Q1061 PolarHBondContact O-N 3.11Å; D1058-Q1061 PolarHBondContact O-N 2.89Å; Q1061-T1063 VanDerWaalsContact C-N 3.31Å; Q1061-T1063 PolarHBondContact O-N 3.48Å; Q1061-L1064 PolarHBondContact O-N 3.14Å; Q1061-Q1065 VanDerWaalsContact O-CB 3.25Å; Q1061-Q1065 WeakPolarHBondContact O-CB 3.42Å; Q1061-Q1065 PolarHBondContact O-N 3.34Å |
| 1062 | L | 93.9 | Very high | 92.1 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 9% | 0.089 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -38.8 | 175.7 | -72.1 | 172.2 | 0 | 0 | 0 | 112 | L790 L791 H794 W958 D1058 L1059 Q1065 A1066 | L790-L1062 HydrophobicContact CB-CD2 4.39Å; L791-L1062 HydrophobicContact CD2-CD1 4.43Å; H794-L1062 HydrophobicContact CB-CD1 4.05Å; W958-L1062 HydrophobicContact CH2-CD1 3.79Å; W958-L1062 HydrophobicContact CZ3-CD1 4.18Å; D1058-L1062 WeakPolarHBondContact O-CG 3.16Å; D1058-L1062 PolarHBondContact O-N 2.99Å; L1059-L1062 PolarHBondContact O-N 3.39Å; L1062-Q1065 PolarHBondContact O-N 3.23Å; L1062-A1066 WeakPolarHBondContact O-CB 3.45Å; L1062-A1066 PolarHBondContact O-N 3.34Å |
| 1063 | T | 93.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.4 | -44.5 | 178.3 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | F783 C1020 V1024 L1053 L1059 Y1060 Q1061 A1066 F1067 | F783-T1063 HydrophobicContact CE2-CG2 4.37Å; F783-T1063 HydrophobicContact CZ-CG2 3.95Å; C1020-T1063 HydrophobicContact CB-CG2 3.95Å; C1020-T1063 PolarHBondContact SG-OG1 3.37Å; C1020-T1063 VanDerWaalsContact SG-OG1 3.37Å; V1024-T1063 HydrophobicContact CG2-CG2 3.66Å; L1053-T1063 HydrophobicContact CD2-CG2 4.14Å; L1059-T1063 VanDerWaalsContact O-CB 3.31Å; L1059-T1063 WeakPolarHBondContact O-CB 3.46Å; L1059-T1063 PolarHBondContact O-N 3.48Å; L1059-T1063 PolarHBondContact O-OG1 3.22Å; Y1060-T1063 PolarHBondContact O-N 3.29Å; Q1061-T1063 VanDerWaalsContact C-N 3.31Å; Q1061-T1063 PolarHBondContact O-N 3.48Å; T1063-A1066 WeakPolarHBondContact O-CB 3Å; T1063-A1066 PolarHBondContact O-N 3.03Å; T1063-F1067 PolarHBondContact O-N 3.46Å |
| 1064 | L | 93.2 | Very high | 92.6 | Very high | 25 Ų | 25 | 35 Ų | 35 | 13% | 0.131 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 175.5 | -175.8 | 61.5 | 0 | 0 | 0 | 111.5 | L1039 Y1060 Q1061 F1067 R1068 | L1039-L1064 WeakPolarHBondContact O-CD1 3.12Å; Y1060-L1064 HydrophobicContact CE1-CD2 4.44Å; Y1060-L1064 WeakPolarHBondContact O-CB 3.29Å; Y1060-L1064 PolarHBondContact O-N 2.89Å; Q1061-L1064 PolarHBondContact O-N 3.14Å; L1064-F1067 PolarHBondContact O-N 2.91Å; L1064-R1068 WeakPolarHBondContact O-CG 3.45Å; L1064-R1068 PolarHBondContact O-N 3.13Å |
| 1065 | Q | 94.3 | Very high | 92.9 | Very high | 55 Ų | 55 | 32.8 Ų | 32.8 | 26% | 0.257 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 175 | -172.6 | -178.1 | 5.9 | 0 | 0 | 111.6 | L790 Q1061 L1062 F1067 R1068 F1069 E1097 | L790-Q1065 HydrophobicContact CD1-CB 4.08Å; L790-Q1065 HydrophobicContact CD1-CG 3.97Å; Q1061-Q1065 VanDerWaalsContact O-CB 3.25Å; Q1061-Q1065 WeakPolarHBondContact O-CB 3.42Å; Q1061-Q1065 PolarHBondContact O-N 3.34Å; L1062-Q1065 PolarHBondContact O-N 3.23Å; Q1065-F1067 VanDerWaalsContact C-N 3.3Å; Q1065-F1067 PolarHBondContact O-N 3.39Å; Q1065-R1068 PolarHBondContact O-N 2.99Å; Q1065-F1069 HydrophobicContact CG-CD1 4.16Å; Q1065-F1069 HydrophobicContact CG-CE1 3.91Å; Q1065-F1069 HydrophobicContact CG-CZ 4.18Å; Q1065-F1069 VanDerWaalsContact NE2-CZ 3.34Å; Q1065-F1069 WeakPolarHBondContact O-CB 3.33Å; Q1065-F1069 WeakPolarHBondContact O-CD1 3.41Å; Q1065-F1069 PolarHBondContact O-N 3.03Å; Q1065-E1097 PolarHBondContact NE2-OE2 3.45Å |
| 1066 | A | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.5 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F783 A786 L787 L790 L1062 T1063 F1069 S1070 | F783-A1066 HydrophobicContact CD2-CB 4.16Å; F783-A1066 HydrophobicContact CE2-CB 3.9Å; A786-A1066 HydrophobicContact CB-CB 4.46Å; L787-A1066 HydrophobicContact CB-CB 3.74Å; L787-A1066 HydrophobicContact CD1-CB 3.86Å; L787-A1066 HydrophobicContact CG-CB 4.41Å; L790-A1066 VanDerWaalsContact CD1-CA 3.48Å; L790-A1066 HydrophobicContact CD1-CB 3.74Å; L1062-A1066 WeakPolarHBondContact O-CB 3.45Å; L1062-A1066 PolarHBondContact O-N 3.34Å; T1063-A1066 WeakPolarHBondContact O-CB 3Å; T1063-A1066 PolarHBondContact O-N 3.03Å; A1066-F1069 PolarHBondContact O-N 3.04Å; A1066-S1070 PolarHBondContact O-N 3.21Å; A1066-S1070 PolarHBondContact O-OG 3.31Å |
| 1067 | F | 95.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 176 | -175 | -103.4 | 0 | 0 | 0 | 111.9 | L779 F783 F1030 I1036 L1039 T1063 L1064 Q1065 F1069 S1070 F1071 | L779-F1067 HydrophobicContact CD2-CE2 4.25Å; L779-F1067 HydrophobicContact CD2-CZ 4.44Å; F783-F1067 HydrophobicContact CD2-CB 3.98Å; F783-F1067 HydrophobicContact CD2-CD2 4.15Å; F783-F1067 HydrophobicContact CE2-CB 3.88Å; F1030-F1067 AromaticContact CE1-CE2 3.89Å; F1030-F1067 HydrophobicContact CE1-CE2 3.89Å; F1030-F1067 AromaticContact CE2-CE2 3.97Å; F1030-F1067 HydrophobicContact CE2-CE2 3.97Å; F1030-F1067 HydrophobicContact CZ-CD2 4.09Å; F1030-F1067 AromaticContact CZ-CE2 3.47Å; F1030-F1067 HydrophobicContact CZ-CE2 3.47Å; F1030-F1067 VanDerWaalsContact CZ-CE2 3.47Å; F1030-F1067 HydrophobicContact CZ-CZ 4.47Å; I1036-F1067 HydrophobicContact CB-CZ 4.44Å; I1036-F1067 HydrophobicContact CG1-CZ 4.43Å; I1036-F1067 HydrophobicContact CG2-CE1 4.46Å; I1036-F1067 HydrophobicContact CG2-CZ 4.01Å; L1039-F1067 HydrophobicContact CB-CD1 4.41Å; L1039-F1067 HydrophobicContact CB-CE1 3.9Å; L1039-F1067 HydrophobicContact CB-CZ 4.1Å; L1039-F1067 HydrophobicContact CD2-CD1 4.05Å; L1039-F1067 HydrophobicContact CD2-CD2 3.58Å; L1039-F1067 HydrophobicContact CD2-CE1 3.83Å; L1039-F1067 HydrophobicContact CD2-CE2 3.35Å; L1039-F1067 HydrophobicContact CD2-CG 3.92Å; L1039-F1067 HydrophobicContact CD2-CZ 3.46Å; L1039-F1067 VanDerWaalsContact CD2-CZ 3.46Å; L1039-F1067 HydrophobicContact CG-CD1 3.68Å; L1039-F1067 HydrophobicContact CG-CD2 4.12Å; L1039-F1067 HydrophobicContact CG-CE1 3.59Å; L1039-F1067 HydrophobicContact CG-CE2 4.06Å; L1039-F1067 HydrophobicContact CG-CG 3.93Å; L1039-F1067 HydrophobicContact CG-CZ 3.78Å; T1063-F1067 PolarHBondContact O-N 3.46Å; L1064-F1067 PolarHBondContact O-N 2.91Å; Q1065-F1067 VanDerWaalsContact C-N 3.3Å; Q1065-F1067 PolarHBondContact O-N 3.39Å; F1067-F1069 VanDerWaalsContact C-N 3.33Å; F1067-F1069 PolarHBondContact O-N 3.39Å; F1067-S1070 WeakPolarHBondContact CA-OG 3.36Å; F1067-S1070 PolarHBondContact O-N 3.42Å; F1067-S1070 PolarHBondContact O-OG 2.9Å; F1067-F1071 WeakPolarHBondContact O-CB 3.44Å; F1067-F1071 PolarHBondContact O-N 3.2Å |
| 1068 | R | 95.6 | Very high | 93.2 | Very high | 19 Ų | 19 | 24.4 Ų | 24.4 | 7% | 0.072 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 176.6 | -71.9 | 176.7 | 177.8 | -176.6 | 0.8 | 112.5 | Y1040 L1064 Q1065 F1071 K1072 I1102 E1107 | Y1040-R1068 HydrophobicContact CD2-CG 3.87Å; Y1040-R1068 HydrophobicContact CE2-CB 4.11Å; Y1040-R1068 HydrophobicContact CE2-CG 3.7Å; Y1040-R1068 HydrophobicContact CG-CG 4.46Å; Y1040-R1068 PolarHBondContact O-NE 2.98Å; Y1040-R1068 PolarHBondContact O-NH2 2.67Å; Y1040-R1068 VanDerWaalsContact O-NH2 3.1Å; L1064-R1068 WeakPolarHBondContact O-CG 3.45Å; L1064-R1068 PolarHBondContact O-N 3.13Å; Q1065-R1068 PolarHBondContact O-N 2.99Å; R1068-F1071 PolarHBondContact O-N 3.41Å; R1068-K1072 PolarHBondContact O-N 3.46Å; R1068-I1102 HydrophobicContact CB-CB 4.5Å; R1068-I1102 HydrophobicContact CB-CG2 3.79Å; R1068-I1102 WeakPolarHBondContact CD-O 2.98Å; R1068-E1107 IonicContact CZ-OE1 2.82Å; R1068-E1107 VanDerWaalsContact CZ-OE1 3.26Å; R1068-E1107 IonicContact CZ-OE2 3.15Å; R1068-E1107 IonicContact NH1-OE1 2.73Å; R1068-E1107 PolarHBondContact NH1-OE1 3.32Å; R1068-E1107 IonicContact NH1-OE2 2.69Å; R1068-E1107 PolarHBondContact NH1-OE2 2.9Å; R1068-E1107 IonicContact NH2-OE1 3.19Å; R1068-E1107 PolarHBondContact NH2-OE1 3.4Å; R1068-E1107 IonicContact NH2-OE2 3.51Å |
| 1069 | F | 96.4 | Very high | 93 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 175.1 | -81.2 | 19.4 | 0 | 0 | 0 | 111.4 | A786 W789 L790 Q1065 A1066 F1067 F1071 K1072 L1073 L1093 Y1096 E1097 I1102 | A786-F1069 HydrophobicContact CB-CB 4.22Å; W789-F1069 HydrophobicContact CZ3-CE2 4.24Å; L790-F1069 HydrophobicContact CD1-CD2 4.39Å; L790-F1069 HydrophobicContact CD2-CE2 4.22Å; Q1065-F1069 HydrophobicContact CG-CD1 4.16Å; Q1065-F1069 HydrophobicContact CG-CE1 3.91Å; Q1065-F1069 HydrophobicContact CG-CZ 4.18Å; Q1065-F1069 VanDerWaalsContact NE2-CZ 3.34Å; Q1065-F1069 WeakPolarHBondContact O-CB 3.33Å; Q1065-F1069 WeakPolarHBondContact O-CD1 3.41Å; Q1065-F1069 PolarHBondContact O-N 3.03Å; A1066-F1069 PolarHBondContact O-N 3.04Å; F1067-F1069 VanDerWaalsContact C-N 3.33Å; F1067-F1069 PolarHBondContact O-N 3.39Å; F1069-F1071 VanDerWaalsContact C-N 3.28Å; F1069-F1071 PolarHBondContact O-N 3.37Å; F1069-K1072 PolarHBondContact O-N 3.44Å; F1069-L1073 WeakPolarHBondContact O-CB 3.45Å; F1069-L1073 PolarHBondContact O-N 3.38Å; F1069-L1093 HydrophobicContact CB-CD2 4.36Å; F1069-L1093 HydrophobicContact CD2-CD2 4.02Å; F1069-Y1096 HydrophobicContact CB-CD2 4.43Å; F1069-Y1096 HydrophobicContact CD2-CD2 4.47Å; F1069-Y1096 HydrophobicContact CG-CD2 4.27Å; F1069-E1097 HydrophobicContact CE2-CB 4.44Å; F1069-E1097 HydrophobicContact CZ-CB 4.33Å; F1069-E1097 WeakPolarHBondContact CZ-OE2 3.42Å; F1069-I1102 HydrophobicContact CD1-CD1 3.7Å; F1069-I1102 HydrophobicContact CE1-CD1 3.87Å; F1069-I1102 HydrophobicContact CE1-CG1 4.48Å |
| 1070 | S | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.4 | -36.1 | 176.4 | 62.9 | 0 | 0 | 0 | 0 | 112.8 | L779 F783 A1066 F1067 L1073 L1074 | L779-S1070 VanDerWaalsContact CD1-C 3.48Å; L779-S1070 WeakPolarHBondContact CD1-O 3.26Å; F783-S1070 VanDerWaalsContact CA-CB 3.49Å; A1066-S1070 PolarHBondContact O-N 3.21Å; A1066-S1070 PolarHBondContact O-OG 3.31Å; F1067-S1070 WeakPolarHBondContact CA-OG 3.36Å; F1067-S1070 PolarHBondContact O-N 3.42Å; F1067-S1070 PolarHBondContact O-OG 2.9Å; S1070-L1073 PolarHBondContact O-N 3.26Å; S1070-L1074 PolarHBondContact O-N 3.2Å |
| 1071 | F | 94.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68 | -43.3 | 176.4 | -172.3 | -90.8 | 0 | 0 | 0 | 111.8 | L766 I770 L779 I1036 Y1040 F1067 R1068 F1069 L1073 L1074 F1075 F1122 L1124 | L766-F1071 HydrophobicContact CD1-CE1 4.37Å; L766-F1071 HydrophobicContact CD1-CZ 3.99Å; I770-F1071 HydrophobicContact CG2-CE2 3.72Å; I770-F1071 HydrophobicContact CG2-CZ 3.84Å; L779-F1071 HydrophobicContact CD1-CB 4.32Å; L779-F1071 HydrophobicContact CD2-CD2 4.42Å; I1036-F1071 HydrophobicContact CG2-CD2 3.65Å; I1036-F1071 HydrophobicContact CG2-CE2 3.52Å; Y1040-F1071 HydrophobicContact CD2-CB 4.33Å; Y1040-F1071 HydrophobicContact CD2-CD1 4.25Å; Y1040-F1071 HydrophobicContact CD2-CG 4.27Å; Y1040-F1071 HydrophobicContact CE2-CB 4.5Å; Y1040-F1071 HydrophobicContact CE2-CD1 4.14Å; F1067-F1071 WeakPolarHBondContact O-CB 3.44Å; F1067-F1071 PolarHBondContact O-N 3.2Å; R1068-F1071 PolarHBondContact O-N 3.41Å; F1069-F1071 VanDerWaalsContact C-N 3.28Å; F1069-F1071 PolarHBondContact O-N 3.37Å; F1071-L1073 VanDerWaalsContact C-N 3.31Å; F1071-L1073 PolarHBondContact O-N 3.43Å; F1071-L1074 WeakPolarHBondContact O-CB 3.09Å; F1071-L1074 PolarHBondContact O-N 3.36Å; F1071-F1075 PolarHBondContact O-N 3.11Å; F1071-F1122 AromaticContact CD1-CE1 3.75Å; F1071-F1122 HydrophobicContact CD1-CE1 3.75Å; F1071-F1122 HydrophobicContact CD1-CZ 4.06Å; F1071-F1122 AromaticContact CE1-CE1 3.91Å; F1071-F1122 HydrophobicContact CE1-CE1 3.91Å; F1071-F1122 AromaticContact CE1-CZ 3.84Å; F1071-F1122 HydrophobicContact CE1-CZ 3.84Å; F1071-L1124 HydrophobicContact CE1-CB 4.23Å; F1071-L1124 HydrophobicContact CE1-CD1 3.81Å; F1071-L1124 HydrophobicContact CE1-CD2 4.07Å; F1071-L1124 HydrophobicContact CE1-CG 4.25Å; F1071-L1124 HydrophobicContact CE2-CD2 4.26Å; F1071-L1124 HydrophobicContact CZ-CD1 3.69Å; F1071-L1124 HydrophobicContact CZ-CD2 3.88Å; F1071-L1124 HydrophobicContact CZ-CG 4.31Å |
| 1072 | K | 94.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.5 | -38.7 | 174.2 | -178.3 | 56.4 | 165.5 | 76.5 | 0 | 111.8 | R1068 F1069 F1075 D1076 Y1096 I1102 F1122 | R1068-K1072 PolarHBondContact O-N 3.46Å; F1069-K1072 PolarHBondContact O-N 3.44Å; K1072-F1075 HydrophobicContact CD-CD1 4.36Å; K1072-F1075 WeakPolarHBondContact O-CB 3.21Å; K1072-F1075 PolarHBondContact O-N 2.77Å; K1072-D1076 IonicContact NZ-OD1 3.82Å; K1072-D1076 PolarHBondContact NZ-OD1 3.31Å; K1072-D1076 IonicContact NZ-OD2 2.89Å; K1072-D1076 PolarHBondContact NZ-OD2 3.06Å; K1072-D1076 PolarHBondContact O-N 3.17Å; K1072-Y1096 HydrophobicContact CB-CE2 4.12Å; K1072-Y1096 HydrophobicContact CG-CD1 4.5Å; K1072-Y1096 HydrophobicContact CG-CE1 3.88Å; K1072-Y1096 HydrophobicContact CG-CE2 3.96Å; K1072-I1102 HydrophobicContact CB-CD1 3.75Å; K1072-I1102 HydrophobicContact CB-CG2 4.39Å; K1072-I1102 HydrophobicContact CG-CD1 3.8Å; K1072-F1122 HydrophobicContact CD-CB 4.07Å; K1072-F1122 HydrophobicContact CD-CD1 4.04Å; K1072-F1122 HydrophobicContact CD-CD2 3.6Å; K1072-F1122 HydrophobicContact CD-CE1 4.36Å; K1072-F1122 HydrophobicContact CD-CE2 3.94Å; K1072-F1122 HydrophobicContact CD-CG 3.62Å; K1072-F1122 HydrophobicContact CD-CZ 4.29Å |
| 1073 | L | 94.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.9 | -42.8 | 175.9 | -172 | 68.2 | 0 | 0 | 0 | 111.6 | D782 F1069 S1070 F1071 F1075 D1076 Q1077 M1083 L1089 T1092 Y1096 | D782-L1073 HydrophobicContact CB-CD2 3.94Å; D782-L1073 WeakPolarHBondContact OD2-CD2 3.41Å; F1069-L1073 WeakPolarHBondContact O-CB 3.45Å; F1069-L1073 PolarHBondContact O-N 3.38Å; S1070-L1073 PolarHBondContact O-N 3.26Å; F1071-L1073 VanDerWaalsContact C-N 3.31Å; F1071-L1073 PolarHBondContact O-N 3.43Å; L1073-F1075 VanDerWaalsContact C-N 3.3Å; L1073-F1075 PolarHBondContact O-N 2.95Å; L1073-D1076 PolarHBondContact O-N 3.48Å; L1073-Q1077 HydrophobicContact CG-CG 4.39Å; L1073-Q1077 WeakPolarHBondContact O-CB 3.47Å; L1073-Q1077 VanDerWaalsContact O-CG 3.25Å; L1073-Q1077 WeakPolarHBondContact O-CG 3.16Å; L1073-Q1077 PolarHBondContact O-N 3.24Å; L1073-M1083 HydrophobicContact CD1-CE 4.06Å; L1073-M1083 HydrophobicContact CD1-CG 4.48Å; L1073-L1089 HydrophobicContact CD1-CD1 4.02Å; L1073-L1089 HydrophobicContact CD2-CD1 3.4Å; L1073-L1089 VanDerWaalsContact CD2-CD1 3.4Å; L1073-L1089 HydrophobicContact CG-CD1 4.38Å; L1073-T1092 HydrophobicContact CD1-CG2 4.03Å; L1073-Y1096 WeakPolarHBondContact CA-OH 3.47Å; L1073-Y1096 HydrophobicContact CB-CE2 4.22Å; L1073-Y1096 HydrophobicContact CD1-CE2 4.49Å; L1073-Y1096 PolarHBondContact N-OH 3.35Å |
| 1074 | L | 92.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.5 | -46.1 | 172.7 | 176 | 68.8 | 0 | 0 | 0 | 111.1 | I769 N775 L779 S1070 F1071 D1076 Q1077 A1078 | I769-L1074 HydrophobicContact CG2-CD2 4.48Å; I769-L1074 HydrophobicContact CG2-CG 4.4Å; N775-L1074 HydrophobicContact CB-CD1 3.74Å; N775-L1074 HydrophobicContact CB-CD2 4.41Å; L779-L1074 HydrophobicContact CB-CD2 4.28Å; L779-L1074 HydrophobicContact CD1-CB 4.23Å; L779-L1074 HydrophobicContact CD1-CD2 4.32Å; L779-L1074 HydrophobicContact CD2-CD2 4.4Å; S1070-L1074 PolarHBondContact O-N 3.2Å; F1071-L1074 WeakPolarHBondContact O-CB 3.09Å; F1071-L1074 PolarHBondContact O-N 3.36Å; L1074-D1076 PolarHBondContact O-N 3.3Å; L1074-Q1077 PolarHBondContact O-N 3Å; L1074-A1078 WeakPolarHBondContact O-CB 3.39Å; L1074-A1078 PolarHBondContact O-N 3.38Å |
| 1075 | F | 92 | Very high | 91.1 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 177.7 | 177.4 | -88.4 | 0 | 0 | 0 | 112 | N764 L766 F1071 K1072 L1073 A1078 S1079 F1122 V1137 | N764-F1075 HydrophobicContact CB-CE2 4.08Å; N764-F1075 HydrophobicContact CB-CZ 4.22Å; N764-F1075 WeakPolarHBondContact ND2-CZ 3.29Å; L766-F1075 HydrophobicContact CD2-CD2 3.55Å; L766-F1075 HydrophobicContact CD2-CE2 3.63Å; F1071-F1075 PolarHBondContact O-N 3.11Å; K1072-F1075 HydrophobicContact CD-CD1 4.36Å; K1072-F1075 WeakPolarHBondContact O-CB 3.21Å; K1072-F1075 PolarHBondContact O-N 2.77Å; L1073-F1075 VanDerWaalsContact C-N 3.3Å; L1073-F1075 PolarHBondContact O-N 2.95Å; F1075-A1078 PolarHBondContact O-N 3.47Å; F1075-S1079 WeakPolarHBondContact O-CB 3.13Å; F1075-S1079 PolarHBondContact O-N 3.27Å; F1075-S1079 VanDerWaalsContact O-N 3.15Å; F1075-S1079 PolarHBondContact O-OG 2.99Å; F1075-F1122 HydrophobicContact CB-CZ 4.41Å; F1075-F1122 HydrophobicContact CD1-CE2 4.06Å; F1075-F1122 HydrophobicContact CD2-CE2 4.22Å; F1075-F1122 HydrophobicContact CD2-CZ 4.42Å; F1075-F1122 HydrophobicContact CE1-CE2 4.38Å; F1075-F1122 AromaticContact CG-CE2 3.99Å; F1075-F1122 HydrophobicContact CG-CE2 3.99Å; F1075-F1122 HydrophobicContact CG-CZ 4.25Å; F1075-V1137 HydrophobicContact CE1-CG2 4.13Å; F1075-V1137 HydrophobicContact CZ-CG2 4.35Å |
| 1076 | D | 91.8 | Very high | 90.8 | Very high | 22 Ų | 22 | 38.8 Ų | 38.8 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.2 | -41.7 | 179.3 | -72.9 | -13.6 | 0 | 0 | 0 | 111.8 | K1072 L1073 L1074 A1078 S1079 L1080 Y1096 | K1072-D1076 IonicContact NZ-OD1 3.82Å; K1072-D1076 PolarHBondContact NZ-OD1 3.31Å; K1072-D1076 IonicContact NZ-OD2 2.89Å; K1072-D1076 PolarHBondContact NZ-OD2 3.06Å; K1072-D1076 PolarHBondContact O-N 3.17Å; L1073-D1076 PolarHBondContact O-N 3.48Å; L1074-D1076 PolarHBondContact O-N 3.3Å; D1076-A1078 VanDerWaalsContact C-N 3.3Å; D1076-A1078 PolarHBondContact O-N 2.87Å; D1076-S1079 PolarHBondContact O-N 2.89Å; D1076-S1079 VanDerWaalsContact O-N 3.07Å; D1076-L1080 WeakPolarHBondContact O-CB 3.15Å; D1076-L1080 PolarHBondContact O-N 3.22Å; D1076-Y1096 WeakPolarHBondContact OD2-CE1 3.31Å; D1076-Y1096 PolarHBondContact OD2-OH 3.41Å |
| 1077 | Q | 90.6 | Very high | 90.6 | Very high | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.8 | -34.6 | 177.4 | -71.2 | 174.5 | 11.7 | 0 | 0 | 112.6 | K778 D782 L1073 L1074 S1079 G1081 M1083 | K778-Q1077 VanDerWaalsContact CD-OE1 3.25Å; D782-Q1077 PolarHBondContact OD2-NE2 2.95Å; L1073-Q1077 HydrophobicContact CG-CG 4.39Å; L1073-Q1077 WeakPolarHBondContact O-CB 3.47Å; L1073-Q1077 VanDerWaalsContact O-CG 3.25Å; L1073-Q1077 WeakPolarHBondContact O-CG 3.16Å; L1073-Q1077 PolarHBondContact O-N 3.24Å; L1074-Q1077 PolarHBondContact O-N 3Å; Q1077-S1079 VanDerWaalsContact C-N 3.26Å; Q1077-S1079 PolarHBondContact O-N 3.44Å; Q1077-G1081 VanDerWaalsContact CA-O 3.24Å; Q1077-G1081 WeakPolarHBondContact CA-O 3.48Å; Q1077-G1081 CarbonylContact O-C 3.55Å; Q1077-G1081 VanDerWaalsContact O-C 3.23Å; Q1077-G1081 VanDerWaalsContact O-CA 3.24Å; Q1077-G1081 WeakPolarHBondContact O-CA 3.25Å; Q1077-G1081 PolarHBondContact O-N 3.1Å; Q1077-M1083 HydrophobicContact CG-CE 4.08Å; Q1077-M1083 HydrophobicContact CG-CG 4.19Å |
| 1078 | A | 88 | Confident | 90.4 | Very high | 50 Ų | 50 | 46.4 Ų | 46.4 | 41% | 0.413 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.6 | -29.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I769 L1074 F1075 D1076 | I769-A1078 HydrophobicContact CD1-CB 4.13Å; I769-A1078 HydrophobicContact CG1-CB 4.21Å; I769-A1078 HydrophobicContact CG2-CB 3.95Å; L1074-A1078 WeakPolarHBondContact O-CB 3.39Å; L1074-A1078 PolarHBondContact O-N 3.38Å; F1075-A1078 PolarHBondContact O-N 3.47Å; D1076-A1078 VanDerWaalsContact C-N 3.3Å; D1076-A1078 PolarHBondContact O-N 2.87Å |
| 1079 | S | 85.8 | Confident | 90.3 | Very high | 71 Ų | 71 | 46.1 Ų | 46.1 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -91.8 | -39.5 | -175.8 | -55.5 | 0 | 0 | 0 | 0 | 113.6 | F1075 D1076 Q1077 | F1075-S1079 WeakPolarHBondContact O-CB 3.13Å; F1075-S1079 PolarHBondContact O-N 3.27Å; F1075-S1079 VanDerWaalsContact O-N 3.15Å; F1075-S1079 PolarHBondContact O-OG 2.99Å; D1076-S1079 PolarHBondContact O-N 2.89Å; D1076-S1079 VanDerWaalsContact O-N 3.07Å; Q1077-S1079 VanDerWaalsContact C-N 3.26Å; Q1077-S1079 PolarHBondContact O-N 3.44Å |
| 1080 | L | 87.1 | Confident | 90.1 | Very high | 147 Ų | 147 | 46.5 Ų | 46.5 | 77% | 0.77 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -108.6 | -14.5 | -171.3 | -59.7 | 174.8 | 0 | 0 | 0 | 113.2 | D1076 | D1076-L1080 WeakPolarHBondContact O-CB 3.15Å; D1076-L1080 PolarHBondContact O-N 3.22Å |
| 1081 | G | 85.8 | Confident | 90 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | trans | 106 | 166.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1077 | Q1077-G1081 VanDerWaalsContact CA-O 3.24Å; Q1077-G1081 WeakPolarHBondContact CA-O 3.48Å; Q1077-G1081 CarbonylContact O-C 3.55Å; Q1077-G1081 VanDerWaalsContact O-C 3.23Å; Q1077-G1081 VanDerWaalsContact O-CA 3.24Å; Q1077-G1081 WeakPolarHBondContact O-CA 3.25Å; Q1077-G1081 PolarHBondContact O-N 3.1Å | ||
| 1082 | P | 85.5 | Confident | 90 | Very high | 89 Ų | 89 | 50 Ų | 50 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | trans | -67.3 | 149.2 | -179.8 | 30.3 | -35.2 | 0 | 0 | 0 | 111.8 | ||||
| 1083 | M | 86.7 | Confident | 89.9 | Confident | 44 Ų | 44 | 50 Ų | 50 | 22% | 0.217 | 29% | 0.289 | C | S | . | . | trans | -67.8 | 131.6 | 173.6 | -59.3 | -65 | 151.9 | 0 | 0 | 110.3 | L1073 Q1077 E1088 | L1073-M1083 HydrophobicContact CD1-CE 4.06Å; L1073-M1083 HydrophobicContact CD1-CG 4.48Å; Q1077-M1083 HydrophobicContact CG-CE 4.08Å; Q1077-M1083 HydrophobicContact CG-CG 4.19Å; M1083-E1088 HydrophobicContact SD-CG 3.63Å | ||
| 1084 | E | 81.5 | Confident | 89.8 | Confident | 188 Ų | 188 | 54.3 Ų | 54.3 | 88% | 0.879 | 31% | 0.309 | S | S | * | . | trans | -92.5 | -22.9 | -174.2 | -63.3 | -172.4 | 168.2 | 0 | 0 | 112.5 | E1088 | E1084-E1088 PolarHBondContact N-OE2 3.48Š| ||
| 1085 | S | 89.7 | Confident | 89.9 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | trans | -138.6 | 153.1 | -176.3 | 68.1 | 0 | 0 | 0 | 0 | 114.1 | E1087 E1088 L1089 | S1085-E1087 VanDerWaalsContact C-N 3.26Å; S1085-E1087 PolarHBondContact O-N 3.21Å; S1085-E1088 WeakPolarHBondContact O-CB 3.35Å; S1085-E1088 PolarHBondContact O-N 2.94Å; S1085-E1088 VanDerWaalsContact OG-CB 3.28Å; S1085-E1088 WeakPolarHBondContact OG-CB 3.44Å; S1085-E1088 PolarHBondContact OG-N 3.42Å; S1085-E1088 VanDerWaalsContact OG-N 3.15Å; S1085-L1089 PolarHBondContact O-N 3.21Å | ||
| 1086 | P | 88.4 | Confident | 90 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 40% | 0.403 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.3 | -28.7 | 172.9 | 26.5 | -31.7 | 0 | 0 | 0 | 112.2 | W979 F982 L1089 F1090 | W979-P1086 HydrophobicContact CE3-CB 4.2Å; W979-P1086 HydrophobicContact CZ3-CB 4.01Å; W979-P1086 VanDerWaalsContact CZ3-O 3.32Å; W979-P1086 WeakPolarHBondContact CZ3-O 3.42Å; F982-P1086 HydrophobicContact CD1-CB 4.13Å; F982-P1086 HydrophobicContact CE1-CB 4.06Å; F982-P1086 WeakPolarHBondContact CE1-O 3.21Å; F982-P1086 HydrophobicContact CE2-CG 4.47Å; F982-P1086 HydrophobicContact CG-CB 4.39Å; F982-P1086 HydrophobicContact CZ-CB 4.27Å; P1086-L1089 PolarHBondContact O-N 2.88Å; P1086-F1090 WeakPolarHBondContact O-CB 3.45Å; P1086-F1090 PolarHBondContact O-N 3.44Å |
| 1087 | E | 90.3 | Very high | 90 | Very high | 90 Ų | 90 | 58.1 Ų | 58.1 | 42% | 0.421 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 172.2 | -73.3 | 71.1 | -160.1 | 0 | 0 | 112.1 | F982 S1085 F1090 S1091 | F982-E1087 HydrophobicContact CE2-CG 4.42Å; F982-E1087 WeakPolarHBondContact CE2-OE1 3.45Å; F982-E1087 HydrophobicContact CZ-CG 3.94Å; F982-E1087 WeakPolarHBondContact CZ-OE1 3.27Å; S1085-E1087 VanDerWaalsContact C-N 3.26Å; S1085-E1087 PolarHBondContact O-N 3.21Å; E1087-F1090 PolarHBondContact O-N 3.45Å; E1087-S1091 PolarHBondContact O-N 3.05Å; E1087-S1091 PolarHBondContact O-OG 2.91Å |
| 1088 | E | 92.1 | Very high | 90 | Very high | 72 Ų | 72 | 65.8 Ų | 65.8 | 34% | 0.336 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.4 | -51.5 | 177.1 | -172.2 | -179.6 | -164.3 | 0 | 0 | 110.3 | M1083 E1084 S1085 F1090 S1091 T1092 | M1083-E1088 HydrophobicContact SD-CG 3.63Å; E1084-E1088 PolarHBondContact N-OE2 3.48Å; S1085-E1088 WeakPolarHBondContact O-CB 3.35Å; S1085-E1088 PolarHBondContact O-N 2.94Å; S1085-E1088 VanDerWaalsContact OG-CB 3.28Å; S1085-E1088 WeakPolarHBondContact OG-CB 3.44Å; S1085-E1088 PolarHBondContact OG-N 3.42Å; S1085-E1088 VanDerWaalsContact OG-N 3.15Å; E1088-F1090 VanDerWaalsContact C-N 3.31Å; E1088-F1090 PolarHBondContact O-N 2.98Å; E1088-S1091 PolarHBondContact O-N 3.41Å; E1088-S1091 VanDerWaalsContact O-N 3.12Å; E1088-S1091 PolarHBondContact O-OG 2.86Å; E1088-T1092 PolarHBondContact O-N 3.44Å; E1088-T1092 PolarHBondContact O-OG1 3.1Å |
| 1089 | L | 92.6 | Very high | 90.3 | Very high | 13 Ų | 13 | 64.8 Ų | 64.8 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.2 | -42.6 | 177.1 | 178.4 | 60.8 | 0 | 0 | 0 | 112.8 | K785 W979 L1073 S1085 P1086 T1092 L1093 | K785-L1089 HydrophobicContact CB-CD2 4.43Å; K785-L1089 HydrophobicContact CD-CD2 3.73Å; W979-L1089 HydrophobicContact CD2-CD2 4.28Å; W979-L1089 HydrophobicContact CE3-CD2 4.1Å; W979-L1089 HydrophobicContact CH2-CB 4.02Å; W979-L1089 HydrophobicContact CH2-CD2 3.78Å; W979-L1089 HydrophobicContact CH2-CG 3.66Å; W979-L1089 HydrophobicContact CZ2-CD2 3.98Å; W979-L1089 HydrophobicContact CZ2-CG 4.06Å; W979-L1089 HydrophobicContact CZ3-CB 4.16Å; W979-L1089 HydrophobicContact CZ3-CD2 3.85Å; W979-L1089 HydrophobicContact CZ3-CG 4.09Å; L1073-L1089 HydrophobicContact CD1-CD1 4.02Å; L1073-L1089 HydrophobicContact CD2-CD1 3.4Å; L1073-L1089 VanDerWaalsContact CD2-CD1 3.4Å; L1073-L1089 HydrophobicContact CG-CD1 4.38Å; S1085-L1089 PolarHBondContact O-N 3.21Å; P1086-L1089 PolarHBondContact O-N 2.88Å; L1089-T1092 PolarHBondContact O-N 3.14Å; L1089-L1093 HydrophobicContact CD1-CD1 4.39Å; L1089-L1093 HydrophobicContact CD1-CG 4.36Å; L1089-L1093 HydrophobicContact CG-CD1 4.41Å; L1089-L1093 WeakPolarHBondContact O-CG 3.41Å; L1089-L1093 PolarHBondContact O-N 3.43Å |
| 1090 | F | 93.1 | Very high | 90.7 | Very high | 13 Ų | 13 | 62.6 Ų | 62.6 | 6% | 0.057 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 179.3 | -169.8 | -85.8 | 0 | 0 | 0 | 111.2 | W789 W979 F982 R986 F987 P1086 E1087 E1088 T1092 L1093 E1094 | W789-F1090 AromaticContact CD1-CD2 3.67Å; W789-F1090 AromaticContact CD1-CE2 3.6Å; W789-F1090 AromaticContact NE1-CD2 3.51Å; W789-F1090 AromaticContact NE1-CE2 3.29Å; W789-F1090 VanDerWaalsContact NE1-CE2 3.29Å; W789-F1090 AromaticContact NE1-CZ 3.75Å; W979-F1090 HydrophobicContact CH2-CB 3.75Å; W979-F1090 HydrophobicContact CH2-CD2 4.07Å; W979-F1090 HydrophobicContact CH2-CG 4.42Å; W979-F1090 HydrophobicContact CZ2-CD2 4.47Å; W979-F1090 HydrophobicContact CZ3-CB 4.33Å; F982-F1090 HydrophobicContact CE1-CB 3.95Å; F982-F1090 HydrophobicContact CE1-CD2 4.28Å; F982-F1090 HydrophobicContact CE1-CG 4.32Å; R986-F1090 HydrophobicContact CB-CD2 4.49Å; R986-F1090 HydrophobicContact CB-CE1 4.07Å; R986-F1090 HydrophobicContact CB-CE2 3.73Å; R986-F1090 HydrophobicContact CB-CZ 3.49Å; R986-F1090 VanDerWaalsContact CB-CZ 3.49Å; R986-F1090 HydrophobicContact CG-CD2 4.39Å; R986-F1090 HydrophobicContact CG-CE1 4.27Å; R986-F1090 HydrophobicContact CG-CE2 4.11Å; R986-F1090 HydrophobicContact CG-CZ 4.06Å; F987-F1090 HydrophobicContact CD2-CE2 4.22Å; F987-F1090 HydrophobicContact CD2-CZ 4.4Å; F987-F1090 HydrophobicContact CE1-CZ 4.29Å; F987-F1090 AromaticContact CE2-CE2 3.79Å; F987-F1090 HydrophobicContact CE2-CE2 3.79Å; F987-F1090 HydrophobicContact CE2-CZ 4.02Å; F987-F1090 HydrophobicContact CZ-CE2 4.13Å; F987-F1090 AromaticContact CZ-CZ 3.95Å; F987-F1090 HydrophobicContact CZ-CZ 3.95Å; P1086-F1090 WeakPolarHBondContact O-CB 3.45Å; P1086-F1090 PolarHBondContact O-N 3.44Å; E1087-F1090 PolarHBondContact O-N 3.45Å; E1088-F1090 VanDerWaalsContact C-N 3.31Å; E1088-F1090 PolarHBondContact O-N 2.98Å; F1090-T1092 VanDerWaalsContact C-N 3.35Å; F1090-T1092 PolarHBondContact O-N 3.43Å; F1090-L1093 PolarHBondContact O-N 2.84Å; F1090-E1094 HydrophobicContact CD1-CG 4.17Å; F1090-E1094 VanDerWaalsContact CE1-CD 3.43Å; F1090-E1094 HydrophobicContact CE1-CG 3.93Å; F1090-E1094 VanDerWaalsContact CE1-OE1 3.3Å; F1090-E1094 WeakPolarHBondContact CE1-OE1 3.28Å; F1090-E1094 PolarHBondContact O-N 3.3Å |
| 1091 | S | 92.4 | Very high | 91.1 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 177 | 71.8 | 0 | 0 | 0 | 0 | 112.5 | E1087 E1088 E1094 E1095 | E1087-S1091 PolarHBondContact O-N 3.05Å; E1087-S1091 PolarHBondContact O-OG 2.91Å; E1088-S1091 PolarHBondContact O-N 3.41Å; E1088-S1091 VanDerWaalsContact O-N 3.12Å; E1088-S1091 PolarHBondContact O-OG 2.86Å; S1091-E1094 PolarHBondContact O-N 3.35Å; S1091-E1095 PolarHBondContact O-N 3.39Å |
| 1092 | T | 93.4 | Very high | 91.6 | Very high | 15 Ų | 15 | 56.8 Ų | 56.8 | 9% | 0.092 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 175.6 | -53.4 | 0 | 0 | 0 | 0 | 111.8 | L1073 E1088 L1089 F1090 E1095 Y1096 | L1073-T1092 HydrophobicContact CD1-CG2 4.03Å; E1088-T1092 PolarHBondContact O-N 3.44Å; E1088-T1092 PolarHBondContact O-OG1 3.1Å; L1089-T1092 PolarHBondContact O-N 3.14Å; F1090-T1092 VanDerWaalsContact C-N 3.35Å; F1090-T1092 PolarHBondContact O-N 3.43Å; T1092-E1095 WeakPolarHBondContact O-CB 3.36Å; T1092-E1095 PolarHBondContact O-N 2.95Å; T1092-Y1096 HydrophobicContact CG2-CD1 4.3Å; T1092-Y1096 HydrophobicContact CG2-CE1 3.7Å; T1092-Y1096 HydrophobicContact CG2-CE2 3.96Å; T1092-Y1096 VanDerWaalsContact CG2-CZ 3.48Å; T1092-Y1096 PolarHBondContact O-N 3.02Å |
| 1093 | L | 94.2 | Very high | 92 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68 | -35.4 | 176.9 | -66.6 | 175.2 | 0 | 0 | 0 | 112.3 | A786 W789 W979 F1069 L1089 F1090 Y1096 E1097 | A786-L1093 HydrophobicContact CB-CD2 4.39Å; W789-L1093 HydrophobicContact CB-CD1 3.95Å; W789-L1093 HydrophobicContact CD2-CB 3.99Å; W789-L1093 HydrophobicContact CD2-CD1 4.13Å; W789-L1093 HydrophobicContact CE3-CB 4.29Å; W789-L1093 HydrophobicContact CG-CB 4.45Å; W789-L1093 HydrophobicContact CG-CD1 3.79Å; W789-L1093 HydrophobicContact CH2-CB 4.39Å; W789-L1093 WeakPolarHBondContact CH2-O 3.33Å; W789-L1093 HydrophobicContact CZ2-CB 4.1Å; W789-L1093 HydrophobicContact CZ3-CB 4.47Å; W979-L1093 HydrophobicContact CZ2-CD1 3.87Å; F1069-L1093 HydrophobicContact CB-CD2 4.36Å; F1069-L1093 HydrophobicContact CD2-CD2 4.02Å; L1089-L1093 HydrophobicContact CD1-CD1 4.39Å; L1089-L1093 HydrophobicContact CD1-CG 4.36Å; L1089-L1093 HydrophobicContact CG-CD1 4.41Å; L1089-L1093 WeakPolarHBondContact O-CG 3.41Å; L1089-L1093 PolarHBondContact O-N 3.43Å; F1090-L1093 PolarHBondContact O-N 2.84Å; L1093-Y1096 HydrophobicContact CD2-CD2 4.22Å; L1093-E1097 PolarHBondContact O-N 2.95Å |
| 1094 | E | 93 | Very high | 92.1 | Very high | 94 Ų | 94 | 51.5 Ų | 51.5 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 170.3 | -76.9 | -171 | 143.8 | 0 | 0 | 112 | W789 F1090 S1091 E1097 R1098 | W789-E1094 HydrophobicContact CZ2-CG 3.85Å; F1090-E1094 HydrophobicContact CD1-CG 4.17Å; F1090-E1094 VanDerWaalsContact CE1-CD 3.43Å; F1090-E1094 HydrophobicContact CE1-CG 3.93Å; F1090-E1094 VanDerWaalsContact CE1-OE1 3.3Å; F1090-E1094 WeakPolarHBondContact CE1-OE1 3.28Å; F1090-E1094 PolarHBondContact O-N 3.3Å; S1091-E1094 PolarHBondContact O-N 3.35Å; E1094-E1097 PolarHBondContact O-N 2.93Å; E1094-R1098 WeakPolarHBondContact O-CB 3.41Å; E1094-R1098 PolarHBondContact O-N 3.25Å |
| 1095 | E | 93.4 | Very high | 92.4 | Very high | 70 Ų | 70 | 44 Ų | 44 | 33% | 0.327 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.8 | -46.9 | 175.6 | -169.1 | -165.9 | 142 | 0 | 0 | 111.6 | S1091 T1092 E1097 R1098 D1099 W1100 | S1091-E1095 PolarHBondContact O-N 3.39Å; T1092-E1095 WeakPolarHBondContact O-CB 3.36Å; T1092-E1095 PolarHBondContact O-N 2.95Å; E1095-E1097 PolarHBondContact O-N 3.1Å; E1095-R1098 PolarHBondContact O-N 3.12Å; E1095-D1099 HydrophobicContact CG-CB 4.28Å; E1095-D1099 PolarHBondContact O-N 3.44Å; E1095-W1100 PolarHBondContact OE1-NE1 3.17Å |
| 1096 | Y | 94.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.9 | -40.9 | 178.3 | -72.1 | -8.2 | 0 | 0 | 0 | 112.1 | F1069 K1072 L1073 D1076 T1092 L1093 W1100 I1102 | F1069-Y1096 HydrophobicContact CB-CD2 4.43Å; F1069-Y1096 HydrophobicContact CD2-CD2 4.47Å; F1069-Y1096 HydrophobicContact CG-CD2 4.27Å; K1072-Y1096 HydrophobicContact CB-CE2 4.12Å; K1072-Y1096 HydrophobicContact CG-CD1 4.5Å; K1072-Y1096 HydrophobicContact CG-CE1 3.88Å; K1072-Y1096 HydrophobicContact CG-CE2 3.96Å; L1073-Y1096 WeakPolarHBondContact CA-OH 3.47Å; L1073-Y1096 HydrophobicContact CB-CE2 4.22Å; L1073-Y1096 HydrophobicContact CD1-CE2 4.49Å; L1073-Y1096 PolarHBondContact N-OH 3.35Å; D1076-Y1096 WeakPolarHBondContact OD2-CE1 3.31Å; D1076-Y1096 PolarHBondContact OD2-OH 3.41Å; T1092-Y1096 HydrophobicContact CG2-CD1 4.3Å; T1092-Y1096 HydrophobicContact CG2-CE1 3.7Å; T1092-Y1096 HydrophobicContact CG2-CE2 3.96Å; T1092-Y1096 VanDerWaalsContact CG2-CZ 3.48Å; T1092-Y1096 PolarHBondContact O-N 3.02Å; L1093-Y1096 HydrophobicContact CD2-CD2 4.22Å; Y1096-W1100 AromaticContact CD1-CD1 3.77Å; Y1096-W1100 HydrophobicContact CD1-CD2 4.48Å; Y1096-W1100 HydrophobicContact CD1-CG 4.04Å; Y1096-W1100 CarbonylContact O-C 3.57Å; Y1096-W1100 WeakPolarHBondContact O-CA 3.24Å; Y1096-W1100 VanDerWaalsContact O-CB 3.32Å; Y1096-W1100 WeakPolarHBondContact O-CB 3.45Å; Y1096-W1100 PolarHBondContact O-N 2.97Å; Y1096-I1102 HydrophobicContact CD1-CD1 4.46Å; Y1096-I1102 HydrophobicContact CD2-CD1 4.11Å; Y1096-I1102 HydrophobicContact CG-CD1 3.98Å |
| 1097 | E | 91.3 | Very high | 92.2 | Very high | 47 Ų | 47 | 47 Ų | 47 | 22% | 0.22 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.3 | -45.6 | 178.6 | -178.8 | 63.2 | -164.7 | 0 | 0 | 112.6 | W789 R793 Q1065 F1069 L1093 E1094 E1095 K1118 | W789-E1097 HydrophobicContact CH2-CB 4.07Å; W789-E1097 HydrophobicContact CH2-CG 4.47Å; R793-E1097 IonicContact CZ-OE1 3.59Å; R793-E1097 IonicContact NH1-OE1 2.7Å; R793-E1097 PolarHBondContact NH1-OE1 3.17Å; R793-E1097 IonicContact NH1-OE2 3.52Å; R793-E1097 PolarHBondContact NH1-OE2 3.25Å; R793-E1097 IonicContact NH2-OE1 2.86Å; R793-E1097 PolarHBondContact NH2-OE1 3.4Å; Q1065-E1097 PolarHBondContact NE2-OE2 3.45Å; F1069-E1097 HydrophobicContact CE2-CB 4.44Å; F1069-E1097 HydrophobicContact CZ-CB 4.33Å; F1069-E1097 WeakPolarHBondContact CZ-OE2 3.42Å; L1093-E1097 PolarHBondContact O-N 2.95Å; E1094-E1097 PolarHBondContact O-N 2.93Å; E1095-E1097 PolarHBondContact O-N 3.1Å; E1097-K1118 PolarHBondContact O-NZ 2.85Å; E1097-K1118 VanDerWaalsContact O-NZ 3.16Å |
| 1098 | R | 91.1 | Very high | 92 | Very high | 177 Ų | 177 | 52.9 Ų | 52.9 | 67% | 0.668 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -74.9 | -49.1 | -175.6 | -169.5 | -174.9 | 66.9 | -151.9 | -6.9 | 112.4 | E1094 E1095 K1118 | E1094-R1098 WeakPolarHBondContact O-CB 3.41Å; E1094-R1098 PolarHBondContact O-N 3.25Å; E1095-R1098 PolarHBondContact O-N 3.12Å; R1098-K1118 WeakPolarHBondContact O-CE 3.4Å |
| 1099 | D | 93.9 | Very high | 91.9 | Very high | 30 Ų | 30 | 50.7 Ų | 50.7 | 16% | 0.16 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -109.9 | -15.6 | -163.5 | -59 | -26.8 | 0 | 0 | 0 | 113.5 | E1095 K1118 P1119 F1120 | E1095-D1099 HydrophobicContact CG-CB 4.28Å; E1095-D1099 PolarHBondContact O-N 3.44Å; D1099-K1118 VanDerWaalsContact C-CE 3.5Å; D1099-K1118 WeakPolarHBondContact O-CG 3.36Å; D1099-P1119 HydrophobicContact CB-CB 4.42Å; D1099-P1119 HydrophobicContact CB-CG 4.25Å; D1099-P1119 WeakPolarHBondContact O-CD 3.44Å; D1099-F1120 HydrophobicContact CB-CD2 4.26Å; D1099-F1120 PolarHBondContact O-N 3.11Å |
| 1100 | W | 95.3 | Very high | 91.8 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 137.5 | -178.9 | -65 | 73.1 | 0 | 0 | 0 | 114.7 | E1095 Y1096 I1102 K1118 F1120 F1122 V1137 | E1095-W1100 PolarHBondContact OE1-NE1 3.17Å; Y1096-W1100 AromaticContact CD1-CD1 3.77Å; Y1096-W1100 HydrophobicContact CD1-CD2 4.48Å; Y1096-W1100 HydrophobicContact CD1-CG 4.04Å; Y1096-W1100 CarbonylContact O-C 3.57Å; Y1096-W1100 WeakPolarHBondContact O-CA 3.24Å; Y1096-W1100 VanDerWaalsContact O-CB 3.32Å; Y1096-W1100 WeakPolarHBondContact O-CB 3.45Å; Y1096-W1100 PolarHBondContact O-N 2.97Å; W1100-I1102 HydrophobicContact CB-CD1 4.28Å; W1100-I1102 HydrophobicContact CB-CG1 4.01Å; W1100-K1118 VanDerWaalsContact C-NZ 3.35Å; W1100-K1118 WeakPolarHBondContact O-CE 3.4Å; W1100-K1118 PolarHBondContact O-NZ 3.34Å; W1100-F1120 CarbonylContact C-O 3.56Å; W1100-F1120 VanDerWaalsContact CA-O 3.3Å; W1100-F1120 WeakPolarHBondContact CA-O 3.48Å; W1100-F1120 HydrophobicContact CD2-CB 3.33Å; W1100-F1120 HydrophobicContact CD2-CD2 4.36Å; W1100-F1120 HydrophobicContact CD2-CG 4.09Å; W1100-F1120 VanDerWaalsContact CE2-CB 3.49Å; W1100-F1120 AromaticContact CE2-CD2 3.78Å; W1100-F1120 AromaticContact CE2-CG 3.71Å; W1100-F1120 HydrophobicContact CE3-CB 3.41Å; W1100-F1120 VanDerWaalsContact CE3-CB 3.41Å; W1100-F1120 HydrophobicContact CE3-CG 4.43Å; W1100-F1120 HydrophobicContact CG-CB 3.89Å; W1100-F1120 HydrophobicContact CH2-CB 3.79Å; W1100-F1120 HydrophobicContact CH2-CD1 4.24Å; W1100-F1120 HydrophobicContact CH2-CG 4.06Å; W1100-F1120 HydrophobicContact CZ2-CB 3.73Å; W1100-F1120 HydrophobicContact CZ2-CD1 4.13Å; W1100-F1120 HydrophobicContact CZ2-CD2 4.05Å; W1100-F1120 AromaticContact CZ2-CG 3.71Å; W1100-F1120 HydrophobicContact CZ2-CG 3.71Å; W1100-F1120 HydrophobicContact CZ3-CB 3.63Å; W1100-F1120 HydrophobicContact CZ3-CG 4.41Å; W1100-F1120 AromaticContact NE1-CD2 3.68Å; W1100-F1122 HydrophobicContact CE3-CB 4.13Å; W1100-F1122 HydrophobicContact CZ3-CB 4.16Å; W1100-V1137 HydrophobicContact CH2-CG1 4.07Å; W1100-V1137 HydrophobicContact CZ3-CG1 4.1Å |
| 1101 | Y | 95.6 | Very high | 91.7 | Very high | 39 Ų | 39 | 52.2 Ų | 52.2 | 15% | 0.153 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 122.1 | 157.9 | -177.6 | -90.9 | 0 | 0 | 0 | 109 | E1107 G1109 W1110 S1113 F1120 L1121 F1122 | Y1101-E1107 PolarHBondContact OH-OE2 3.12Å; Y1101-G1109 WeakPolarHBondContact CE2-O 3.34Å; Y1101-G1109 WeakPolarHBondContact OH-CA 3.26Å; Y1101-W1110 HydrophobicContact CD1-CB 4.22Å; Y1101-W1110 HydrophobicContact CD1-CD2 4.31Å; Y1101-W1110 AromaticContact CD1-CE3 3.55Å; Y1101-W1110 HydrophobicContact CD1-CE3 3.55Å; Y1101-W1110 HydrophobicContact CD1-CZ3 4.28Å; Y1101-W1110 HydrophobicContact CE1-CB 3.67Å; Y1101-W1110 HydrophobicContact CE1-CD2 4.4Å; Y1101-W1110 AromaticContact CE1-CE3 3.76Å; Y1101-W1110 HydrophobicContact CE1-CE3 3.76Å; Y1101-W1110 HydrophobicContact CE1-CG 4.43Å; Y1101-W1110 PolarHBondContact OH-N 2.9Å; Y1101-S1113 WeakPolarHBondContact CD2-OG 3.38Å; Y1101-F1120 PolarHBondContact N-O 2.98Å; Y1101-L1121 HydrophobicContact CD1-CD2 4.35Å; Y1101-L1121 CarbonylContact O-C 3.42Å; Y1101-L1121 VanDerWaalsContact O-CA 3.27Å; Y1101-L1121 WeakPolarHBondContact O-CA 2.99Å; Y1101-F1122 PolarHBondContact O-N 3.43Å |
| 1102 | I | 95.8 | Very high | 91.7 | Very high | 15 Ų | 15 | 53.3 Ų | 53.3 | 8% | 0.077 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 109.8 | -178.7 | -52.3 | 176 | 0 | 0 | 0 | 107.7 | Y1040 R1068 F1069 K1072 Y1096 W1100 F1122 | Y1040-I1102 HydrophobicContact CE2-CG2 4.42Å; R1068-I1102 HydrophobicContact CB-CB 4.5Å; R1068-I1102 HydrophobicContact CB-CG2 3.79Å; R1068-I1102 WeakPolarHBondContact CD-O 2.98Å; F1069-I1102 HydrophobicContact CD1-CD1 3.7Å; F1069-I1102 HydrophobicContact CE1-CD1 3.87Å; F1069-I1102 HydrophobicContact CE1-CG1 4.48Å; K1072-I1102 HydrophobicContact CB-CD1 3.75Å; K1072-I1102 HydrophobicContact CB-CG2 4.39Å; K1072-I1102 HydrophobicContact CG-CD1 3.8Å; Y1096-I1102 HydrophobicContact CD1-CD1 4.46Å; Y1096-I1102 HydrophobicContact CD2-CD1 4.11Å; Y1096-I1102 HydrophobicContact CG-CD1 3.98Å; W1100-I1102 HydrophobicContact CB-CD1 4.28Å; W1100-I1102 HydrophobicContact CB-CG1 4.01Å; I1102-F1122 WeakPolarHBondContact CA-O 3.47Å; I1102-F1122 HydrophobicContact CG1-CB 4.38Å; I1102-F1122 HydrophobicContact CG2-CB 4.46Å; I1102-F1122 HydrophobicContact CG2-CD1 3.93Å |
| 1103 | G | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 178.3 | -161.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y1040 F1122 S1123 | Y1040-G1103 PolarHBondContact OH-N 2.94Å; Y1040-G1103 PolarHBondContact OH-O 3.31Å; G1103-F1122 PolarHBondContact N-O 3.27Å; G1103-F1122 VanDerWaalsContact N-O 3.1Å; G1103-S1123 VanDerWaalsContact O-CA 3.3Å; G1103-S1123 WeakPolarHBondContact O-CA 3.47Å; G1103-S1123 VanDerWaalsContact O-CB 3.24Å; G1103-S1123 WeakPolarHBondContact O-CB 3.32Å; G1103-S1123 PolarHBondContact O-OG 3.35Å |
| 1104 | L | 89.9 | Confident | 91.7 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 12% | 0.12 | 25% | 0.252 | C | S | . | . | trans | -92 | 145 | -177.9 | -57.5 | 170.1 | 0 | 0 | 0 | 111.3 | Y1040 C1041 T1106 E1107 W1110 | Y1040-L1104 HydrophobicContact CD1-CD2 3.89Å; Y1040-L1104 HydrophobicContact CE1-CD2 3.95Å; C1041-L1104 HydrophobicContact CB-CD1 4.4Å; C1041-L1104 HydrophobicContact CB-CD2 4.4Å; L1104-T1106 PolarHBondContact O-N 3.31Å; L1104-E1107 HydrophobicContact CB-CG 3.92Å; L1104-E1107 HydrophobicContact CD1-CG 4.4Å; L1104-E1107 PolarHBondContact N-OE2 3.3Å; L1104-E1107 VanDerWaalsContact N-OE2 3.08Å; L1104-E1107 WeakPolarHBondContact O-CB 3.23Å; L1104-E1107 PolarHBondContact O-N 3.17Å; L1104-E1107 VanDerWaalsContact O-N 3.11Å; L1104-W1110 WeakPolarHBondContact O-CB 3.46Å | ||
| 1105 | V | 87 | Confident | 91.6 | Very high | 31 Ų | 31 | 52 Ų | 52 | 19% | 0.188 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -30.2 | 173.7 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | E1107 W1110 H1111 | V1105-E1107 VanDerWaalsContact C-N 3.31Å; V1105-E1107 PolarHBondContact O-N 3.31Å; V1105-W1110 HydrophobicContact CG2-CH2 4.41Å; V1105-W1110 HydrophobicContact CG2-CZ2 4.14Å; V1105-H1111 PolarHBondContact O-CE1 3Å |
| 1106 | T | 85.3 | Confident | 91.5 | Very high | 121 Ų | 121 | 55.9 Ų | 55.9 | 74% | 0.742 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -12.1 | 179.4 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | L1104 | L1104-T1106 PolarHBondContact O-N 3.31Š|
| 1107 | E | 87.7 | Confident | 91.4 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -75.2 | 144.3 | 179.7 | -76.9 | 165.9 | 176.2 | 0 | 0 | 111.9 | R1068 Y1101 L1104 V1105 G1109 W1110 H1111 | R1068-E1107 IonicContact CZ-OE1 2.82Å; R1068-E1107 VanDerWaalsContact CZ-OE1 3.26Å; R1068-E1107 IonicContact CZ-OE2 3.15Å; R1068-E1107 IonicContact NH1-OE1 2.73Å; R1068-E1107 PolarHBondContact NH1-OE1 3.32Å; R1068-E1107 IonicContact NH1-OE2 2.69Å; R1068-E1107 PolarHBondContact NH1-OE2 2.9Å; R1068-E1107 IonicContact NH2-OE1 3.19Å; R1068-E1107 PolarHBondContact NH2-OE1 3.4Å; R1068-E1107 IonicContact NH2-OE2 3.51Å; Y1101-E1107 PolarHBondContact OH-OE2 3.12Å; L1104-E1107 HydrophobicContact CB-CG 3.92Å; L1104-E1107 HydrophobicContact CD1-CG 4.4Å; L1104-E1107 PolarHBondContact N-OE2 3.3Å; L1104-E1107 VanDerWaalsContact N-OE2 3.08Å; L1104-E1107 WeakPolarHBondContact O-CB 3.23Å; L1104-E1107 PolarHBondContact O-N 3.17Å; L1104-E1107 VanDerWaalsContact O-N 3.11Å; V1105-E1107 VanDerWaalsContact C-N 3.31Å; V1105-E1107 PolarHBondContact O-N 3.31Å; E1107-G1109 PolarHBondContact O-N 3.02Å; E1107-W1110 WeakPolarHBondContact O-CB 3.46Å; E1107-W1110 PolarHBondContact O-N 2.96Å; E1107-W1110 VanDerWaalsContact O-N 3.15Å; E1107-H1111 PolarHBondContact O-ND1 2.9Å |
| 1108 | R | 87.6 | Confident | 91.6 | Very high | 215 Ų | 215 | 58.4 Ų | 58.4 | 81% | 0.811 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.9 | -35.8 | 172.7 | -66.6 | -173.7 | -173.1 | -176.7 | 2 | 112.3 | W1110 H1111 D1112 | R1108-W1110 PolarHBondContact O-N 3.46Å; R1108-H1111 WeakPolarHBondContact O-CB 3.49Å; R1108-H1111 PolarHBondContact O-N 3.34Å; R1108-D1112 PolarHBondContact O-N 3Å |
| 1109 | G | 88.6 | Confident | 91.8 | Very high | 25 Ų | 25 | 52.1 Ų | 52.1 | 26% | 0.258 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.5 | -31.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y1101 E1107 S1113 | Y1101-G1109 WeakPolarHBondContact CE2-O 3.34Å; Y1101-G1109 WeakPolarHBondContact OH-CA 3.26Å; E1107-G1109 PolarHBondContact O-N 3.02Å; G1109-S1113 VanDerWaalsContact O-CB 3.24Å; G1109-S1113 WeakPolarHBondContact O-CB 3.37Å; G1109-S1113 PolarHBondContact O-N 3.29Å; G1109-S1113 PolarHBondContact O-OG 3.02Å |
| 1110 | W | 91.5 | Very high | 91.9 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -49.5 | 173.1 | 179.4 | -84.9 | 0 | 0 | 0 | 110.7 | F647 Y1101 L1104 V1105 E1107 R1108 D1112 S1113 V1114 L1121 L1138 | F647-W1110 HydrophobicContact CZ-CZ2 4.43Å; F647-W1110 AromaticContact CZ-NE1 3.83Å; Y1101-W1110 HydrophobicContact CD1-CB 4.22Å; Y1101-W1110 HydrophobicContact CD1-CD2 4.31Å; Y1101-W1110 AromaticContact CD1-CE3 3.55Å; Y1101-W1110 HydrophobicContact CD1-CE3 3.55Å; Y1101-W1110 HydrophobicContact CD1-CZ3 4.28Å; Y1101-W1110 HydrophobicContact CE1-CB 3.67Å; Y1101-W1110 HydrophobicContact CE1-CD2 4.4Å; Y1101-W1110 AromaticContact CE1-CE3 3.76Å; Y1101-W1110 HydrophobicContact CE1-CE3 3.76Å; Y1101-W1110 HydrophobicContact CE1-CG 4.43Å; Y1101-W1110 PolarHBondContact OH-N 2.9Å; L1104-W1110 WeakPolarHBondContact O-CB 3.46Å; V1105-W1110 HydrophobicContact CG2-CH2 4.41Å; V1105-W1110 HydrophobicContact CG2-CZ2 4.14Å; E1107-W1110 WeakPolarHBondContact O-CB 3.46Å; E1107-W1110 PolarHBondContact O-N 2.96Å; E1107-W1110 VanDerWaalsContact O-N 3.15Å; R1108-W1110 PolarHBondContact O-N 3.46Å; W1110-D1112 PolarHBondContact O-N 3.05Å; W1110-S1113 PolarHBondContact O-N 3.32Å; W1110-V1114 WeakPolarHBondContact O-CG2 3.36Å; W1110-V1114 PolarHBondContact O-N 2.79Å; W1110-L1121 HydrophobicContact CD2-CD2 3.76Å; W1110-L1121 HydrophobicContact CE3-CB 4.23Å; W1110-L1121 HydrophobicContact CE3-CD2 3.91Å; W1110-L1121 HydrophobicContact CG-CD2 4.33Å; W1110-L1121 HydrophobicContact CH2-CB 3.52Å; W1110-L1121 HydrophobicContact CH2-CD2 4.2Å; W1110-L1121 HydrophobicContact CZ2-CB 4.13Å; W1110-L1121 HydrophobicContact CZ2-CD2 4.11Å; W1110-L1121 HydrophobicContact CZ3-CB 3.59Å; W1110-L1121 HydrophobicContact CZ3-CD2 4.1Å; W1110-L1121 HydrophobicContact CZ3-CG 4.49Å; W1110-L1138 HydrophobicContact CH2-CD1 4.06Å; W1110-L1138 HydrophobicContact CH2-CG 4.25Å; W1110-L1138 HydrophobicContact CZ2-CD1 3.42Å; W1110-L1138 VanDerWaalsContact CZ2-CD1 3.42Å; W1110-L1138 HydrophobicContact CZ2-CG 4.06Å |
| 1111 | H | 90.7 | Very high | 91.9 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 26% | 0.255 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 179.7 | -64.7 | 62.7 | 0 | 0 | 0 | 110.9 | V646 V1105 E1107 R1108 S1113 V1114 L1115 | V646-H1111 HydrophobicContact CG2-CB 4.43Å; V646-H1111 WeakPolarHBondContact CG2-CD2 3.36Å; V1105-H1111 PolarHBondContact O-CE1 3Å; E1107-H1111 PolarHBondContact O-ND1 2.9Å; R1108-H1111 WeakPolarHBondContact O-CB 3.49Å; R1108-H1111 PolarHBondContact O-N 3.34Å; H1111-S1113 VanDerWaalsContact C-N 3.33Å; H1111-S1113 PolarHBondContact O-N 2.87Å; H1111-V1114 PolarHBondContact O-N 2.97Å; H1111-L1115 WeakPolarHBondContact O-CG 3.38Å; H1111-L1115 PolarHBondContact O-N 3.28Å; H1111-L1115 VanDerWaalsContact O-N 3.09Å |
| 1112 | D | 92.5 | Very high | 91.9 | Very high | 84 Ų | 84 | 50.7 Ų | 50.7 | 45% | 0.449 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 177.8 | -67 | -27.2 | 0 | 0 | 0 | 111.5 | R1108 W1110 L1115 Q1116 | R1108-D1112 PolarHBondContact O-N 3Å; W1110-D1112 PolarHBondContact O-N 3.05Å; D1112-L1115 PolarHBondContact O-N 3Å; D1112-Q1116 VanDerWaalsContact O-CB 3.31Å; D1112-Q1116 WeakPolarHBondContact O-CB 3.36Å; D1112-Q1116 WeakPolarHBondContact O-CG 3.39Å; D1112-Q1116 PolarHBondContact O-N 3.16Å |
| 1113 | S | 94.1 | Very high | 91.9 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.9 | -36.7 | 178.9 | -63.3 | 0 | 0 | 0 | 0 | 112.9 | Y1101 G1109 W1110 H1111 Q1116 E1117 K1118 | Y1101-S1113 WeakPolarHBondContact CD2-OG 3.38Å; G1109-S1113 VanDerWaalsContact O-CB 3.24Å; G1109-S1113 WeakPolarHBondContact O-CB 3.37Å; G1109-S1113 PolarHBondContact O-N 3.29Å; G1109-S1113 PolarHBondContact O-OG 3.02Å; W1110-S1113 PolarHBondContact O-N 3.32Å; H1111-S1113 VanDerWaalsContact C-N 3.33Å; H1111-S1113 PolarHBondContact O-N 2.87Å; S1113-Q1116 PolarHBondContact O-N 2.81Å; S1113-E1117 PolarHBondContact O-N 3.5Å; S1113-K1118 WeakPolarHBondContact O-CB 3.4Å; S1113-K1118 PolarHBondContact O-N 3.34Å |
| 1114 | V | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 173.3 | 172.2 | 0 | 0 | 0 | 0 | 110.1 | V646 F647 Q650 Y759 W1110 H1111 Q1116 E1117 L1121 | V646-V1114 HydrophobicContact CB-CG1 4.48Å; V646-V1114 HydrophobicContact CG1-CB 3.89Å; V646-V1114 HydrophobicContact CG1-CG1 3.7Å; F647-V1114 HydrophobicContact CD1-CG1 3.76Å; F647-V1114 HydrophobicContact CD1-CG2 4.26Å; F647-V1114 HydrophobicContact CE1-CG1 4.06Å; F647-V1114 HydrophobicContact CE1-CG2 3.7Å; Q650-V1114 HydrophobicContact CB-CG1 4Å; Q650-V1114 HydrophobicContact CG-CG1 4.42Å; Q650-V1114 WeakPolarHBondContact CG-O 3.46Å; Y759-V1114 HydrophobicContact CD2-CG1 4.14Å; Y759-V1114 HydrophobicContact CE2-CB 4.32Å; Y759-V1114 HydrophobicContact CE2-CG1 3.8Å; W1110-V1114 WeakPolarHBondContact O-CG2 3.36Å; W1110-V1114 PolarHBondContact O-N 2.79Å; H1111-V1114 PolarHBondContact O-N 2.97Å; V1114-Q1116 VanDerWaalsContact C-N 3.3Å; V1114-Q1116 PolarHBondContact O-N 2.76Å; V1114-E1117 PolarHBondContact O-N 3.35Å; V1114-L1121 HydrophobicContact CG2-CD2 3.66Å |
| 1115 | L | 91.3 | Very high | 91.9 | Very high | 71 Ų | 71 | 50.3 Ų | 50.3 | 37% | 0.372 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.8 | -29.7 | 179.2 | -65.4 | 179 | 0 | 0 | 0 | 113 | V646 Q649 Q650 H1111 D1112 E1117 | V646-L1115 HydrophobicContact CG1-CD2 4Å; V646-L1115 HydrophobicContact CG1-CG 3.98Å; Q649-L1115 HydrophobicContact CB-CD2 4.16Å; Q649-L1115 HydrophobicContact CG-CD2 3.87Å; Q650-L1115 HydrophobicContact CB-CD2 4.45Å; H1111-L1115 WeakPolarHBondContact O-CG 3.38Å; H1111-L1115 PolarHBondContact O-N 3.28Å; H1111-L1115 VanDerWaalsContact O-N 3.09Å; D1112-L1115 PolarHBondContact O-N 3Å; L1115-E1117 PolarHBondContact O-N 3.29Å |
| 1116 | Q | 92.2 | Very high | 91.9 | Very high | 151 Ų | 151 | 51.9 Ų | 51.9 | 71% | 0.706 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 1.9 | 172.9 | -70.4 | 172.4 | 24.3 | 0 | 0 | 113.4 | D1112 S1113 V1114 K1118 | D1112-Q1116 VanDerWaalsContact O-CB 3.31Å; D1112-Q1116 WeakPolarHBondContact O-CB 3.36Å; D1112-Q1116 WeakPolarHBondContact O-CG 3.39Å; D1112-Q1116 PolarHBondContact O-N 3.16Å; S1113-Q1116 PolarHBondContact O-N 2.81Å; V1114-Q1116 VanDerWaalsContact C-N 3.3Å; V1114-Q1116 PolarHBondContact O-N 2.76Å; Q1116-K1118 VanDerWaalsContact C-N 3.31Å; Q1116-K1118 PolarHBondContact O-N 3.02Å |
| 1117 | E | 93.1 | Very high | 91.8 | Very high | 56 Ų | 56 | 49 Ų | 49 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 40.5 | 178.8 | -68.1 | -163.6 | 163.6 | 0 | 0 | 113.2 | Q650 R757 Y759 S1113 V1114 L1115 L1140 | Q650-E1117 HydrophobicContact CG-CG 4.04Å; Q650-E1117 PolarHBondContact NE2-OE1 2.92Å; R757-E1117 IonicContact CZ-OE2 3.88Å; R757-E1117 IonicContact NE-OE2 3.25Å; R757-E1117 IonicContact NH1-OE2 3.95Å; R757-E1117 PolarHBondContact NH1-OE2 3.01Å; Y759-E1117 VanDerWaalsContact OH-C 3.26Å; Y759-E1117 WeakPolarHBondContact OH-CA 3.45Å; S1113-E1117 PolarHBondContact O-N 3.5Å; V1114-E1117 PolarHBondContact O-N 3.35Å; L1115-E1117 PolarHBondContact O-N 3.29Å; E1117-L1140 HydrophobicContact CB-CD2 3.58Å; E1117-L1140 HydrophobicContact CG-CD2 4.19Å; E1117-L1140 VanDerWaalsContact O-CD2 3.23Å; E1117-L1140 WeakPolarHBondContact O-CD2 3.39Å |
| 1118 | K | 94.3 | Very high | 91.4 | Very high | 45 Ų | 45 | 53.6 Ų | 53.6 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | trans | -59.9 | 132.8 | 175.4 | -162.9 | 165.8 | -165.9 | 178.8 | 0 | 110.1 | Y759 E1097 R1098 D1099 W1100 S1113 Q1116 F1120 | Y759-K1118 VanDerWaalsContact CE1-O 3.25Å; Y759-K1118 WeakPolarHBondContact CE1-O 3.24Å; Y759-K1118 PolarHBondContact OH-N 3.4Å; Y759-K1118 PolarHBondContact OH-O 3.12Å; E1097-K1118 PolarHBondContact O-NZ 2.85Å; E1097-K1118 VanDerWaalsContact O-NZ 3.16Å; R1098-K1118 WeakPolarHBondContact O-CE 3.4Å; D1099-K1118 VanDerWaalsContact C-CE 3.5Å; D1099-K1118 WeakPolarHBondContact O-CG 3.36Å; W1100-K1118 VanDerWaalsContact C-NZ 3.35Å; W1100-K1118 WeakPolarHBondContact O-CE 3.4Å; W1100-K1118 PolarHBondContact O-NZ 3.34Å; S1113-K1118 WeakPolarHBondContact O-CB 3.4Å; S1113-K1118 PolarHBondContact O-N 3.34Å; Q1116-K1118 VanDerWaalsContact C-N 3.31Å; Q1116-K1118 PolarHBondContact O-N 3.02Å; K1118-F1120 VanDerWaalsContact C-N 3.31Å; K1118-F1120 PolarHBondContact O-N 2.75Å | ||
| 1119 | P | 95.4 | Very high | 90.9 | Very high | 44 Ų | 44 | 49.3 Ų | 49.3 | 29% | 0.286 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -55.8 | -41 | -170.2 | -28.7 | 35 | 0 | 0 | 0 | 114.6 | D1099 L1140 | D1099-P1119 HydrophobicContact CB-CB 4.42Å; D1099-P1119 HydrophobicContact CB-CG 4.25Å; D1099-P1119 WeakPolarHBondContact O-CD 3.44Å; P1119-L1140 PolarHBondContact O-N 3.41Å |
| 1120 | F | 96.1 | Very high | 90.3 | Very high | 63 Ų | 63 | 54.8 Ų | 54.8 | 28% | 0.276 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.6 | -176.4 | -54.6 | -73 | 0 | 0 | 0 | 112.1 | D1099 W1100 Y1101 K1118 L1138 | D1099-F1120 HydrophobicContact CB-CD2 4.26Å; D1099-F1120 PolarHBondContact O-N 3.11Å; W1100-F1120 CarbonylContact C-O 3.56Å; W1100-F1120 VanDerWaalsContact CA-O 3.3Å; W1100-F1120 WeakPolarHBondContact CA-O 3.48Å; W1100-F1120 HydrophobicContact CD2-CB 3.33Å; W1100-F1120 HydrophobicContact CD2-CD2 4.36Å; W1100-F1120 HydrophobicContact CD2-CG 4.09Å; W1100-F1120 VanDerWaalsContact CE2-CB 3.49Å; W1100-F1120 AromaticContact CE2-CD2 3.78Å; W1100-F1120 AromaticContact CE2-CG 3.71Å; W1100-F1120 HydrophobicContact CE3-CB 3.41Å; W1100-F1120 VanDerWaalsContact CE3-CB 3.41Å; W1100-F1120 HydrophobicContact CE3-CG 4.43Å; W1100-F1120 HydrophobicContact CG-CB 3.89Å; W1100-F1120 HydrophobicContact CH2-CB 3.79Å; W1100-F1120 HydrophobicContact CH2-CD1 4.24Å; W1100-F1120 HydrophobicContact CH2-CG 4.06Å; W1100-F1120 HydrophobicContact CZ2-CB 3.73Å; W1100-F1120 HydrophobicContact CZ2-CD1 4.13Å; W1100-F1120 HydrophobicContact CZ2-CD2 4.05Å; W1100-F1120 AromaticContact CZ2-CG 3.71Å; W1100-F1120 HydrophobicContact CZ2-CG 3.71Å; W1100-F1120 HydrophobicContact CZ3-CB 3.63Å; W1100-F1120 HydrophobicContact CZ3-CG 4.41Å; W1100-F1120 AromaticContact NE1-CD2 3.68Å; Y1101-F1120 PolarHBondContact N-O 2.98Å; K1118-F1120 VanDerWaalsContact C-N 3.31Å; K1118-F1120 PolarHBondContact O-N 2.75Å; F1120-L1138 CarbonylContact C-O 3.53Å; F1120-L1138 VanDerWaalsContact CA-O 3.29Å; F1120-L1138 WeakPolarHBondContact CA-O 3.48Å |
| 1121 | L | 95.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 146.5 | 171.1 | -56.9 | 86.8 | 0 | 0 | 0 | 110.3 | Y759 Y1101 W1110 V1114 V1137 L1138 | Y759-L1121 HydrophobicContact CD1-CD1 3.88Å; Y759-L1121 HydrophobicContact CE1-CD1 3.16Å; Y1101-L1121 HydrophobicContact CD1-CD2 4.35Å; Y1101-L1121 CarbonylContact O-C 3.42Å; Y1101-L1121 VanDerWaalsContact O-CA 3.27Å; Y1101-L1121 WeakPolarHBondContact O-CA 2.99Å; W1110-L1121 HydrophobicContact CD2-CD2 3.76Å; W1110-L1121 HydrophobicContact CE3-CB 4.23Å; W1110-L1121 HydrophobicContact CE3-CD2 3.91Å; W1110-L1121 HydrophobicContact CG-CD2 4.33Å; W1110-L1121 HydrophobicContact CH2-CB 3.52Å; W1110-L1121 HydrophobicContact CH2-CD2 4.2Å; W1110-L1121 HydrophobicContact CZ2-CB 4.13Å; W1110-L1121 HydrophobicContact CZ2-CD2 4.11Å; W1110-L1121 HydrophobicContact CZ3-CB 3.59Å; W1110-L1121 HydrophobicContact CZ3-CD2 4.1Å; W1110-L1121 HydrophobicContact CZ3-CG 4.49Å; V1114-L1121 HydrophobicContact CG2-CD2 3.66Å; L1121-V1137 WeakPolarHBondContact O-CA 3.4Å; L1121-L1138 HydrophobicContact CB-CB 4.15Å; L1121-L1138 HydrophobicContact CD1-CB 4.2Å; L1121-L1138 PolarHBondContact N-O 3.24Å; L1121-L1138 PolarHBondContact O-N 3.26Å |
| 1122 | F | 95.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 130.1 | 177 | -179.1 | -91.4 | 0 | 0 | 0 | 110.9 | Y1040 F1071 K1072 F1075 W1100 Y1101 I1102 G1103 R1136 V1137 | Y1040-F1122 HydrophobicContact CE2-CE1 4.41Å; Y1040-F1122 PolarHBondContact OH-O 3.17Å; F1071-F1122 AromaticContact CD1-CE1 3.75Å; F1071-F1122 HydrophobicContact CD1-CE1 3.75Å; F1071-F1122 HydrophobicContact CD1-CZ 4.06Å; F1071-F1122 AromaticContact CE1-CE1 3.91Å; F1071-F1122 HydrophobicContact CE1-CE1 3.91Å; F1071-F1122 AromaticContact CE1-CZ 3.84Å; F1071-F1122 HydrophobicContact CE1-CZ 3.84Å; K1072-F1122 HydrophobicContact CD-CB 4.07Å; K1072-F1122 HydrophobicContact CD-CD1 4.04Å; K1072-F1122 HydrophobicContact CD-CD2 3.6Å; K1072-F1122 HydrophobicContact CD-CE1 4.36Å; K1072-F1122 HydrophobicContact CD-CE2 3.94Å; K1072-F1122 HydrophobicContact CD-CG 3.62Å; K1072-F1122 HydrophobicContact CD-CZ 4.29Å; F1075-F1122 HydrophobicContact CB-CZ 4.41Å; F1075-F1122 HydrophobicContact CD1-CE2 4.06Å; F1075-F1122 HydrophobicContact CD2-CE2 4.22Å; F1075-F1122 HydrophobicContact CD2-CZ 4.42Å; F1075-F1122 HydrophobicContact CE1-CE2 4.38Å; F1075-F1122 AromaticContact CG-CE2 3.99Å; F1075-F1122 HydrophobicContact CG-CE2 3.99Å; F1075-F1122 HydrophobicContact CG-CZ 4.25Å; W1100-F1122 HydrophobicContact CE3-CB 4.13Å; W1100-F1122 HydrophobicContact CZ3-CB 4.16Å; Y1101-F1122 PolarHBondContact O-N 3.43Å; I1102-F1122 WeakPolarHBondContact CA-O 3.47Å; I1102-F1122 HydrophobicContact CG1-CB 4.38Å; I1102-F1122 HydrophobicContact CG2-CB 4.46Å; I1102-F1122 HydrophobicContact CG2-CD1 3.93Å; G1103-F1122 PolarHBondContact N-O 3.27Å; G1103-F1122 VanDerWaalsContact N-O 3.1Å; F1122-R1136 WeakPolarHBondContact CA-O 3.34Å; F1122-V1137 HydrophobicContact CD2-CG2 3.76Å; F1122-V1137 HydrophobicContact CE2-CG2 4.17Å |
| 1123 | S | 94.6 | Very high | 89.6 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 142 | 171.5 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | G1103 R1136 | G1103-S1123 VanDerWaalsContact O-CA 3.3Å; G1103-S1123 WeakPolarHBondContact O-CA 3.47Å; G1103-S1123 VanDerWaalsContact O-CB 3.24Å; G1103-S1123 WeakPolarHBondContact O-CB 3.32Å; G1103-S1123 PolarHBondContact O-OG 3.35Å; S1123-R1136 PolarHBondContact N-O 2.85Å; S1123-R1136 PolarHBondContact O-N 2.67Å |
| 1124 | L | 92.9 | Very high | 89.4 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 135.1 | 166.6 | 178.4 | 65.9 | 0 | 0 | 0 | 109.8 | L766 Y1037 Y1040 F1071 T1134 | L766-L1124 HydrophobicContact CD1-CD1 3.21Å; Y1037-L1124 HydrophobicContact CD2-CD2 3.76Å; Y1037-L1124 HydrophobicContact CD2-CG 3.81Å; Y1037-L1124 HydrophobicContact CE2-CG 4.27Å; Y1040-L1124 HydrophobicContact CD1-CB 3.71Å; Y1040-L1124 HydrophobicContact CD1-CD2 4.29Å; Y1040-L1124 HydrophobicContact CD2-CB 4.17Å; Y1040-L1124 HydrophobicContact CD2-CD2 4.23Å; Y1040-L1124 HydrophobicContact CE1-CB 3.65Å; Y1040-L1124 HydrophobicContact CE2-CB 4.11Å; Y1040-L1124 HydrophobicContact CG-CB 3.98Å; Y1040-L1124 HydrophobicContact CG-CD2 3.89Å; F1071-L1124 HydrophobicContact CE1-CB 4.23Å; F1071-L1124 HydrophobicContact CE1-CD1 3.81Å; F1071-L1124 HydrophobicContact CE1-CD2 4.07Å; F1071-L1124 HydrophobicContact CE1-CG 4.25Å; F1071-L1124 HydrophobicContact CE2-CD2 4.26Å; F1071-L1124 HydrophobicContact CZ-CD1 3.69Å; F1071-L1124 HydrophobicContact CZ-CD2 3.88Å; F1071-L1124 HydrophobicContact CZ-CG 4.31Å; L1124-T1134 WeakPolarHBondContact CD1-O 3.48Å |
| 1125 | G | 89.9 | Confident | 89.3 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 162.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1133 T1134 | G1125-Y1133 WeakPolarHBondContact O-CA 3.36Å; G1125-T1134 PolarHBondContact N-O 3.46Å; G1125-T1134 PolarHBondContact O-N 2.98Å |
| 1126 | H | 87.6 | Confident | 89.4 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 29% | 0.292 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 118.9 | 175.2 | 178.3 | -121.4 | 0 | 0 | 0 | 108.9 | Y1037 Y1133 | Y1037-H1126 HydrophobicContact CD1-CB 4.28Å; Y1037-H1126 HydrophobicContact CD2-CB 4.16Å; Y1037-H1126 HydrophobicContact CE1-CB 3.87Å; Y1037-H1126 HydrophobicContact CE2-CB 3.76Å; Y1037-H1126 HydrophobicContact CG-CB 4.42Å; H1126-Y1133 HydrophobicContact CB-CD1 3.91Å; H1126-Y1133 HydrophobicContact CB-CE1 3.96Å; H1126-Y1133 AromaticContact CD2-CD1 3.58Å; H1126-Y1133 AromaticContact CD2-CE1 3.32Å; H1126-Y1133 WeakPolarHBondContact CD2-CE1 3.29Å; H1126-Y1133 AromaticContact CD2-CE2 3.96Å; H1126-Y1133 AromaticContact CD2-CZ 3.54Å; H1126-Y1133 AromaticContact CG-CE1 3.73Å; H1126-Y1133 AromaticContact NE2-CZ 3.86Å |
| 1127 | D | 82.6 | Confident | 89.4 | Confident | 60 Ų | 60 | 46.4 Ų | 46.4 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 104.6 | 172.8 | -172.7 | -16.9 | 0 | 0 | 0 | 108.7 | T1129 M1130 G1131 T1132 | D1127-T1129 PolarHBondContact O-N 3.16Å; D1127-T1129 WeakPolarHBondContact OD1-CB 3.28Å; D1127-T1129 PolarHBondContact OD1-N 3.3Å; D1127-T1129 PolarHBondContact OD1-OG1 2.94Å; D1127-M1130 HydrophobicContact CB-CB 4.35Å; D1127-M1130 PolarHBondContact OD1-N 2.89Å; D1127-M1130 WeakPolarHBondContact OD2-CG 3.42Å; D1127-G1131 WeakPolarHBondContact O-CA 3.31Å; D1127-G1131 PolarHBondContact O-N 3.34Å; D1127-T1132 PolarHBondContact N-O 2.72Å; D1127-T1132 PolarHBondContact O-N 3.28Å |
| 1128 | I | 79.6 | Confident | 89.4 | Confident | 146 Ų | 146 | 43.7 Ų | 43.7 | 75% | 0.749 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -30.5 | -177.7 | -54.2 | 169.6 | 0 | 0 | 0 | 110.8 | ||
| 1129 | T | 77.3 | Confident | 89.4 | Confident | 125 Ų | 125 | 42.3 Ų | 42.3 | 77% | 0.767 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -41.3 | -177 | 66.5 | 0 | 0 | 0 | 0 | 111.6 | D1127 | D1127-T1129 PolarHBondContact O-N 3.16Å; D1127-T1129 WeakPolarHBondContact OD1-CB 3.28Å; D1127-T1129 PolarHBondContact OD1-N 3.3Å; D1127-T1129 PolarHBondContact OD1-OG1 2.94Å |
| 1130 | M | 75.8 | Confident | 89.4 | Confident | 139 Ų | 139 | 41.2 Ų | 41.2 | 69% | 0.685 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -11.4 | 178.4 | -63.4 | -67.2 | -179.2 | 0 | 0 | 112.6 | D1127 T1132 | D1127-M1130 HydrophobicContact CB-CB 4.35Å; D1127-M1130 PolarHBondContact OD1-N 2.89Å; D1127-M1130 WeakPolarHBondContact OD2-CG 3.42Å; M1130-T1132 HydrophobicContact CB-CG2 4.31Å; M1130-T1132 PolarHBondContact O-N 3.46Å |
| 1131 | G | 81.8 | Confident | 89.2 | Confident | 50 Ų | 50 | 42.8 Ų | 42.8 | 52% | 0.515 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 26 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1127 | D1127-G1131 WeakPolarHBondContact O-CA 3.31Å; D1127-G1131 PolarHBondContact O-N 3.34Å |
| 1132 | T | 87.1 | Confident | 89 | Confident | 34 Ų | 34 | 47.6 Ų | 47.6 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 147.5 | -174.3 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | D1127 M1130 | D1127-T1132 PolarHBondContact N-O 2.72Å; D1127-T1132 PolarHBondContact O-N 3.28Å; M1130-T1132 HydrophobicContact CB-CG2 4.31Å; M1130-T1132 PolarHBondContact O-N 3.46Å |
| 1133 | Y | 90.5 | Very high | 88.8 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 13% | 0.129 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 141.6 | 173.7 | -62 | -88.5 | 0 | 0 | 0 | 110.1 | L766 I770 P1033 S1034 Y1037 G1125 H1126 | L766-Y1133 WeakPolarHBondContact CB-O 3.28Å; L766-Y1133 PolarHBondContact N-O 3.29Å; I770-Y1133 HydrophobicContact CD1-CD1 4.4Å; I770-Y1133 HydrophobicContact CD1-CD2 3.44Å; I770-Y1133 VanDerWaalsContact CD1-CD2 3.44Å; I770-Y1133 HydrophobicContact CD1-CE2 4.35Å; I770-Y1133 HydrophobicContact CD1-CG 3.47Å; I770-Y1133 VanDerWaalsContact CD1-CG 3.47Å; P1033-Y1133 HydrophobicContact CB-CD2 3.96Å; P1033-Y1133 HydrophobicContact CB-CE2 3.52Å; S1034-Y1133 WeakPolarHBondContact CA-OH 3.47Å; S1034-Y1133 WeakPolarHBondContact CB-OH 3.42Å; S1034-Y1133 PolarHBondContact N-OH 2.92Å; Y1037-Y1133 HydrophobicContact CD1-CE1 4.16Å; Y1037-Y1133 AromaticContact CD2-CD1 3.89Å; Y1037-Y1133 HydrophobicContact CD2-CD1 3.89Å; Y1037-Y1133 HydrophobicContact CD2-CE1 4.01Å; Y1037-Y1133 AromaticContact CG-CD1 3.95Å; Y1037-Y1133 HydrophobicContact CG-CD1 3.95Å; Y1037-Y1133 AromaticContact CG-CE1 3.58Å; Y1037-Y1133 HydrophobicContact CG-CE1 3.58Å; G1125-Y1133 WeakPolarHBondContact O-CA 3.36Å; H1126-Y1133 HydrophobicContact CB-CD1 3.91Å; H1126-Y1133 HydrophobicContact CB-CE1 3.96Å; H1126-Y1133 AromaticContact CD2-CD1 3.58Å; H1126-Y1133 AromaticContact CD2-CE1 3.32Å; H1126-Y1133 WeakPolarHBondContact CD2-CE1 3.29Å; H1126-Y1133 AromaticContact CD2-CE2 3.96Å; H1126-Y1133 AromaticContact CD2-CZ 3.54Å; H1126-Y1133 AromaticContact CG-CE1 3.73Å; H1126-Y1133 AromaticContact NE2-CZ 3.86Å |
| 1134 | T | 91.1 | Very high | 88.6 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 140.1 | -175.9 | 55.7 | 0 | 0 | 0 | 0 | 111.4 | N764 L1124 G1125 | N764-T1134 CarbonylContact O-C 3.58Å; N764-T1134 VanDerWaalsContact O-CA 3.23Å; N764-T1134 WeakPolarHBondContact O-CA 3.49Å; L1124-T1134 WeakPolarHBondContact CD1-O 3.48Å; G1125-T1134 PolarHBondContact N-O 3.46Å; G1125-T1134 PolarHBondContact O-N 2.98Å |
| 1135 | G | 91.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | R763 N764 | R763-G1135 WeakPolarHBondContact CA-O 3.32Å; N764-G1135 PolarHBondContact N-O 3.29Å; N764-G1135 PolarHBondContact O-N 3.41Å |
| 1136 | R | 91.8 | Very high | 88.7 | Confident | 27 Ų | 27 | 51.2 Ų | 51.2 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115.3 | 175.4 | -168.4 | -179.6 | -172 | -175.2 | 1.9 | 109.2 | D644 D761 A762 R763 F1122 S1123 L1138 | D644-R1136 IonicContact OD1-NH1 3.41Å; D644-R1136 IonicContact OD1-NH2 2.7Å; D761-R1136 VanDerWaalsContact OD1-CG 3.23Å; D761-R1136 WeakPolarHBondContact OD1-CG 3.48Å; D761-R1136 IonicContact OD1-NE 2.91Å; D761-R1136 PolarHBondContact OD1-NE 2.89Å; D761-R1136 IonicContact OD2-CZ 2.96Å; D761-R1136 IonicContact OD2-NE 2.71Å; D761-R1136 PolarHBondContact OD2-NE 3.29Å; D761-R1136 IonicContact OD2-NH2 3.78Å; D761-R1136 PolarHBondContact OD2-NH2 2.92Å; A762-R1136 WeakPolarHBondContact O-CA 3.21Å; R763-R1136 HydrophobicContact CG-CG 4.33Å; F1122-R1136 WeakPolarHBondContact CA-O 3.34Å; S1123-R1136 PolarHBondContact N-O 2.85Å; S1123-R1136 PolarHBondContact O-N 2.67Å; R1136-L1138 HydrophobicContact CG-CD2 4.48Å |
| 1137 | V | 92.9 | Very high | 89 | Confident | 24 Ų | 24 | 48.2 Ų | 48.2 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.7 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 108.3 | A762 F1075 W1100 L1121 F1122 | A762-V1137 HydrophobicContact CB-CB 4.45Å; A762-V1137 PolarHBondContact N-O 3.35Å; A762-V1137 PolarHBondContact O-N 3.44Å; F1075-V1137 HydrophobicContact CE1-CG2 4.13Å; F1075-V1137 HydrophobicContact CZ-CG2 4.35Å; W1100-V1137 HydrophobicContact CH2-CG1 4.07Å; W1100-V1137 HydrophobicContact CZ3-CG1 4.1Å; L1121-V1137 WeakPolarHBondContact O-CA 3.4Å; F1122-V1137 HydrophobicContact CD2-CG2 3.76Å; F1122-V1137 HydrophobicContact CE2-CG2 4.17Å |
| 1138 | L | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.5 | 169.4 | -58 | -173.3 | 0 | 0 | 0 | 110.4 | F647 Y759 S760 D761 W1110 F1120 L1121 R1136 | F647-L1138 HydrophobicContact CD1-CD1 4.36Å; F647-L1138 HydrophobicContact CE1-CD1 3.26Å; F647-L1138 HydrophobicContact CZ-CD1 3.49Å; F647-L1138 VanDerWaalsContact CZ-CD1 3.49Å; Y759-L1138 HydrophobicContact CD1-CB 3.89Å; Y759-L1138 HydrophobicContact CG-CB 4.49Å; S760-L1138 VanDerWaalsContact O-CA 3.28Å; S760-L1138 WeakPolarHBondContact O-CA 3.32Å; D761-L1138 HydrophobicContact CB-CD2 3.7Å; D761-L1138 WeakPolarHBondContact OD1-CD2 3.36Å; W1110-L1138 HydrophobicContact CH2-CD1 4.06Å; W1110-L1138 HydrophobicContact CH2-CG 4.25Å; W1110-L1138 HydrophobicContact CZ2-CD1 3.42Å; W1110-L1138 VanDerWaalsContact CZ2-CD1 3.42Å; W1110-L1138 HydrophobicContact CZ2-CG 4.06Å; F1120-L1138 CarbonylContact C-O 3.53Å; F1120-L1138 VanDerWaalsContact CA-O 3.29Å; F1120-L1138 WeakPolarHBondContact CA-O 3.48Å; L1121-L1138 HydrophobicContact CB-CB 4.15Å; L1121-L1138 HydrophobicContact CD1-CB 4.2Å; L1121-L1138 PolarHBondContact N-O 3.24Å; L1121-L1138 PolarHBondContact O-N 3.26Å; R1136-L1138 HydrophobicContact CG-CD2 4.48Å |
| 1139 | S | 94.3 | Very high | 90.2 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 11% | 0.112 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 128.9 | 173.4 | 65.3 | 0 | 0 | 0 | 0 | 111.6 | Y759 S760 Q1141 | Y759-S1139 WeakPolarHBondContact CA-O 3.45Å; S760-S1139 PolarHBondContact N-O 2.82Å; S760-S1139 PolarHBondContact O-N 3.18Å; S760-S1139 VanDerWaalsContact O-N 3.14Å; S760-S1139 PolarHBondContact OG-O 3.29Å; S760-S1139 VanDerWaalsContact OG-O 3.14Å; S760-S1139 PolarHBondContact OG-OG 2.93Å; S1139-Q1141 PolarHBondContact O-N 3.31Å; S1139-Q1141 PolarHBondContact OG-NE2 2.91Å |
| 1140 | L | 94.8 | Very high | 91 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 113.3 | 179.1 | -172.8 | 62.3 | 0 | 0 | 0 | 110.5 | R757 Y759 E1117 P1119 | R757-L1140 HydrophobicContact CG-CD1 3.86Å; R757-L1140 HydrophobicContact CG-CD2 4.39Å; R757-L1140 HydrophobicContact CG-CG 3.96Å; R757-L1140 VanDerWaalsContact NE-CD2 3.33Å; Y759-L1140 HydrophobicContact CD1-CB 3.97Å; Y759-L1140 HydrophobicContact CD1-CD1 4.32Å; Y759-L1140 HydrophobicContact CD2-CD1 4.03Å; Y759-L1140 HydrophobicContact CE1-CB 3.61Å; Y759-L1140 HydrophobicContact CE1-CD1 4.22Å; Y759-L1140 HydrophobicContact CE1-CG 4.38Å; Y759-L1140 HydrophobicContact CE2-CD1 3.93Å; Y759-L1140 HydrophobicContact CG-CD1 4.24Å; E1117-L1140 HydrophobicContact CB-CD2 3.58Å; E1117-L1140 HydrophobicContact CG-CD2 4.19Å; E1117-L1140 VanDerWaalsContact O-CD2 3.23Å; E1117-L1140 WeakPolarHBondContact O-CD2 3.39Å; P1119-L1140 PolarHBondContact O-N 3.41Å |
| 1141 | Q | 92.7 | Very high | 91.6 | Very high | 97 Ų | 97 | 31.3 Ų | 31.3 | 45% | 0.453 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 157.1 | -177.3 | -55.4 | -174.1 | 14.9 | 0 | 0 | 111 | R757 V758 S1139 Q1143 | R757-Q1141 WeakPolarHBondContact CA-O 3.45Å; V758-Q1141 PolarHBondContact N-O 2.98Å; V758-Q1141 PolarHBondContact O-N 2.91Å; V758-Q1141 VanDerWaalsContact O-O 3.07Å; S1139-Q1141 PolarHBondContact O-N 3.31Å; S1139-Q1141 PolarHBondContact OG-NE2 2.91Å; Q1141-Q1143 HydrophobicContact CB-CG 4.25Å |
| 1142 | E | 91.6 | Very high | 92 | Very high | 101 Ų | 101 | 30 Ų | 30 | 47% | 0.472 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 123 | 164.3 | -74.5 | -165.7 | 151.6 | 0 | 0 | 108.7 | V450 K454 V756 | V450-E1142 HydrophobicContact CG1-CB 4.45Å; V450-E1142 HydrophobicContact CG2-CB 4.3Å; V450-E1142 VanDerWaalsContact CG2-O 3.24Å; V450-E1142 WeakPolarHBondContact CG2-O 3.46Å; K454-E1142 IonicContact NZ-OE1 2.99Å; K454-E1142 PolarHBondContact NZ-OE1 3.08Å; K454-E1142 IonicContact NZ-OE2 3.8Å; K454-E1142 PolarHBondContact NZ-OE2 2.82Å; V756-E1142 WeakPolarHBondContact O-CA 3.31Å |
| 1143 | Q | 90.3 | Very high | 92.1 | Very high | 35 Ų | 35 | 29.1 Ų | 29.1 | 16% | 0.164 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 157.9 | 176.9 | -53.2 | -155.8 | 33 | 0 | 0 | 111.6 | F681 A755 V756 V758 S760 Q1141 V1145 | F681-Q1143 HydrophobicContact CD2-CB 4.09Å; F681-Q1143 HydrophobicContact CE2-CB 3.32Å; F681-Q1143 HydrophobicContact CE2-CG 3.86Å; F681-Q1143 HydrophobicContact CZ-CB 3.89Å; F681-Q1143 HydrophobicContact CZ-CG 3.96Å; A755-Q1143 WeakPolarHBondContact CA-O 3.22Å; V756-Q1143 PolarHBondContact N-O 3.42Å; V756-Q1143 PolarHBondContact O-N 2.92Å; V758-Q1143 HydrophobicContact CG2-CB 4.02Å; V758-Q1143 HydrophobicContact CG2-CG 4.11Å; S760-Q1143 VanDerWaalsContact CB-NE2 3.29Å; S760-Q1143 PolarHBondContact OG-NE2 3.04Å; Q1141-Q1143 HydrophobicContact CB-CG 4.25Å; Q1143-V1145 PolarHBondContact O-N 3.13Å |
| 1144 | L | 90.6 | Very high | 92.1 | Very high | 32 Ų | 32 | 27.6 Ų | 27.6 | 17% | 0.168 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 109.6 | 178 | -66 | 177 | 0 | 0 | 0 | 109.9 | M447 V450 F453 L754 A755 | M447-L1144 WeakPolarHBondContact O-CD1 3.19Å; V450-L1144 HydrophobicContact CG1-CD2 4.44Å; V450-L1144 HydrophobicContact CG2-CD2 4.33Å; V450-L1144 HydrophobicContact CG2-CG 4.13Å; F453-L1144 HydrophobicContact CB-CD1 4.19Å; F453-L1144 HydrophobicContact CD1-CD2 3.92Å; F453-L1144 HydrophobicContact CD2-CD1 4.23Å; F453-L1144 HydrophobicContact CE1-CD2 4.31Å; F453-L1144 HydrophobicContact CG-CD1 4.15Å; F453-L1144 HydrophobicContact CG-CD2 4.15Å; L754-L1144 CarbonylContact O-C 3.52Å; L754-L1144 WeakPolarHBondContact O-CA 3.32Å; A755-L1144 HydrophobicContact CB-CD2 4.32Å |
| 1145 | V | 92.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 117.5 | 169.1 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | F681 A753 L754 V756 Q1143 V1147 | F681-V1145 HydrophobicContact CB-CG1 4.44Å; F681-V1145 HydrophobicContact CB-CG2 4.12Å; F681-V1145 HydrophobicContact CG-CG2 4.39Å; A753-V1145 WeakPolarHBondContact CA-O 3.3Å; L754-V1145 PolarHBondContact N-O 3.07Å; L754-V1145 PolarHBondContact O-N 3.18Å; V756-V1145 HydrophobicContact CB-CG2 3.79Å; V756-V1145 HydrophobicContact CG2-CB 4.14Å; V756-V1145 HydrophobicContact CG2-CG2 3.64Å; Q1143-V1145 PolarHBondContact O-N 3.13Å; V1145-V1147 HydrophobicContact CG1-CG2 4.32Å |
| 1146 | Q | 93 | Very high | 92.1 | Very high | 38 Ų | 38 | 27.4 Ų | 27.4 | 18% | 0.178 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 128.4 | 178 | -66.1 | 169.6 | -11.6 | 0 | 0 | 109 | G679 R680 F724 F728 | G679-Q1146 CarbonylContact C-O 3.34Å; G679-Q1146 VanDerWaalsContact CA-O 3.28Å; G679-Q1146 WeakPolarHBondContact CA-O 3.32Å; R680-Q1146 PolarHBondContact N-O 3.02Å; R680-Q1146 PolarHBondContact O-N 2.81Å; F724-Q1146 HydrophobicContact CB-CB 4.5Å; F724-Q1146 HydrophobicContact CD1-CB 4.23Å; F724-Q1146 HydrophobicContact CD2-CB 4.01Å; F724-Q1146 HydrophobicContact CE1-CB 4.41Å; F724-Q1146 HydrophobicContact CE2-CB 4.21Å; F724-Q1146 HydrophobicContact CG-CB 4.02Å; F724-Q1146 HydrophobicContact CZ-CB 4.39Å; F728-Q1146 HydrophobicContact CD2-CB 4.21Å; F728-Q1146 HydrophobicContact CD2-CG 3.84Å; F728-Q1146 HydrophobicContact CE2-CB 3.94Å; F728-Q1146 HydrophobicContact CE2-CG 4.05Å |
| 1147 | V | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.1 | -175.4 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | L668 F677 L678 C751 A752 L754 V1145 | L668-V1147 HydrophobicContact CD2-CB 4.35Å; L668-V1147 HydrophobicContact CD2-CG1 3.87Å; F677-V1147 HydrophobicContact CB-CG1 3.97Å; F677-V1147 HydrophobicContact CD1-CG1 4.2Å; F677-V1147 HydrophobicContact CG-CG1 4.45Å; L678-V1147 WeakPolarHBondContact O-CA 3.28Å; C751-V1147 PolarHBondContact N-O 2.89Å; A752-V1147 PolarHBondContact N-O 3.49Å; A752-V1147 VanDerWaalsContact N-O 3.17Å; A752-V1147 PolarHBondContact O-N 3.23Å; L754-V1147 HydrophobicContact CD1-CG2 3.73Å; L754-V1147 HydrophobicContact CG-CG2 3.9Å; V1145-V1147 HydrophobicContact CG1-CG2 4.32Å |
| 1148 | G | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 150.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F677 L678 T749 | F677-G1148 CarbonylContact C-O 3.37Å; F677-G1148 VanDerWaalsContact CA-O 3.22Å; F677-G1148 WeakPolarHBondContact CA-O 3.39Å; L678-G1148 PolarHBondContact N-O 2.99Å; L678-G1148 PolarHBondContact O-N 3.01Å; T749-G1148 CarbonylContact O-C 3.44Å; T749-G1148 VanDerWaalsContact O-CA 3.24Å; T749-G1148 WeakPolarHBondContact O-CA 3.48Å |
| 1149 | R | 93.5 | Very high | 91.7 | Very high | 83 Ų | 83 | 25.5 Ų | 25.5 | 31% | 0.313 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 134.4 | 173.6 | -176.5 | 178.8 | -176.3 | 164.8 | 8.4 | 109.9 | S670 S675 F677 T749 C751 | S670-R1149 PolarHBondContact O-NH1 3.33Å; S670-R1149 PolarHBondContact O-NH2 3.35Å; S675-R1149 PolarHBondContact OG-NH2 3.13Å; F677-R1149 HydrophobicContact CD1-CB 3.89Å; F677-R1149 HydrophobicContact CD1-CG 4.34Å; F677-R1149 HydrophobicContact CE1-CB 3.76Å; F677-R1149 HydrophobicContact CE1-CG 3.99Å; F677-R1149 HydrophobicContact CZ-CG 4.46Å; T749-R1149 PolarHBondContact N-O 3.47Å; T749-R1149 PolarHBondContact O-N 3.22Å; C751-R1149 VanDerWaalsContact SG-CB 3.55Å; C751-R1149 PolarHBondContact SG-N 3.05Å; C751-R1149 VanDerWaalsContact SG-N 3.44Å |
| 1150 | L | 92.8 | Very high | 91.4 | Very high | 7 Ų | 7 | 25 Ų | 25 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 152.2 | 174.9 | -68.2 | 165.8 | 0 | 0 | 0 | 111.4 | H676 L678 W687 A747 L748 G1152 V1155 L1186 | H676-L1150 HydrophobicContact CB-CB 4.11Å; H676-L1150 HydrophobicContact CB-CD1 4.12Å; H676-L1150 PolarHBondContact O-N 3.26Å; L678-L1150 HydrophobicContact CB-CD1 4.1Å; L678-L1150 HydrophobicContact CB-CD2 4.45Å; L678-L1150 HydrophobicContact CB-CG 4.23Å; W687-L1150 HydrophobicContact CD2-CD1 4.23Å; W687-L1150 HydrophobicContact CE3-CD1 3.86Å; W687-L1150 HydrophobicContact CH2-CD1 3.15Å; W687-L1150 HydrophobicContact CZ2-CD1 3.54Å; W687-L1150 HydrophobicContact CZ3-CD1 3.32Å; A747-L1150 CarbonylContact O-C 3.36Å; A747-L1150 VanDerWaalsContact O-CA 3.3Å; A747-L1150 WeakPolarHBondContact O-CA 3.49Å; L748-L1150 HydrophobicContact CB-CD2 4.24Å; L748-L1150 HydrophobicContact CD1-CD2 3.77Å; L748-L1150 HydrophobicContact CD1-CG 4.18Å; L1150-G1152 PolarHBondContact O-N 2.63Å; L1150-V1155 HydrophobicContact CB-CG2 4.26Å; L1150-V1155 HydrophobicContact CD1-CG2 4.46Å; L1150-L1186 HydrophobicContact CD2-CD1 3.89Å |
| 1151 | N | 89.6 | Confident | 91 | Very high | 26 Ų | 26 | 24.2 Ų | 24.2 | 14% | 0.139 | 12% | 0.118 | C | C | . | . | trans | -66.8 | 103.9 | 168.7 | -175.1 | -12.5 | 0 | 0 | 0 | 109.5 | A747 E1153 G1154 V1155 | A747-N1151 PolarHBondContact O-N 3.44Å; N1151-E1153 VanDerWaalsContact C-N 3.26Å; N1151-E1153 PolarHBondContact O-N 2.71Å; N1151-E1153 PolarHBondContact OD1-N 3.47Å; N1151-G1154 WeakPolarHBondContact O-CA 3.47Å; N1151-G1154 PolarHBondContact O-N 3.02Å; N1151-V1155 PolarHBondContact O-N 3.42Å; N1151-V1155 VanDerWaalsContact O-N 3.16Å | ||
| 1152 | G | 89.1 | Confident | 90.6 | Very high | 23 Ų | 23 | 19.7 Ų | 19.7 | 24% | 0.237 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.6 | -33.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | L1150 V1155 R1156 | L1150-G1152 PolarHBondContact O-N 2.63Å; G1152-V1155 PolarHBondContact O-N 3.47Å; G1152-R1156 WeakPolarHBondContact O-CB 3.32Å; G1152-R1156 VanDerWaalsContact O-CG 3.28Å; G1152-R1156 WeakPolarHBondContact O-CG 3.49Å; G1152-R1156 PolarHBondContact O-N 3.41Å |
| 1153 | E | 90.1 | Very high | 90.2 | Very high | 15 Ų | 15 | 15.2 Ų | 15.2 | 7% | 0.07 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -71.4 | -33.1 | 176.3 | -68.9 | -62.6 | 139.4 | 0 | 0 | 112.1 | A561 K562 N1151 R1156 G1157 | A561-E1153 HydrophobicContact CB-CB 4.43Å; A561-E1153 HydrophobicContact CB-CG 3.6Å; K562-E1153 VanDerWaalsContact CE-OE2 3.29Å; K562-E1153 WeakPolarHBondContact CE-OE2 3.44Å; K562-E1153 HydrophobicContact CG-CB 4.41Å; K562-E1153 HydrophobicContact CG-CG 3.93Å; K562-E1153 VanDerWaalsContact CG-OE2 3.27Å; K562-E1153 WeakPolarHBondContact CG-OE2 3.3Å; K562-E1153 VanDerWaalsContact NZ-CD 3.25Å; K562-E1153 IonicContact NZ-OE1 3.01Å; K562-E1153 PolarHBondContact NZ-OE1 3.16Å; K562-E1153 IonicContact NZ-OE2 2.85Å; K562-E1153 PolarHBondContact NZ-OE2 3.4Å; N1151-E1153 VanDerWaalsContact C-N 3.26Å; N1151-E1153 PolarHBondContact O-N 2.71Å; N1151-E1153 PolarHBondContact OD1-N 3.47Å; E1153-R1156 IonicContact OE1-NH1 3.58Å; E1153-R1156 PolarHBondContact OE1-NH1 2.87Å; E1153-R1156 IonicContact OE2-NH1 2.7Å; E1153-G1157 PolarHBondContact O-N 3.24Å |
| 1154 | G | 90.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1151 G1157 Q1158 | N1151-G1154 WeakPolarHBondContact O-CA 3.47Å; N1151-G1154 PolarHBondContact O-N 3.02Å; G1154-G1157 PolarHBondContact O-N 3.32Å; G1154-Q1158 WeakPolarHBondContact O-CB 3.4Å; G1154-Q1158 VanDerWaalsContact O-CG 3.28Å; G1154-Q1158 WeakPolarHBondContact O-CG 3.36Å; G1154-Q1158 PolarHBondContact O-N 3.45Å |
| 1155 | V | 92.1 | Very high | 89.3 | Confident | 4 Ų | 4 | 13.7 Ų | 13.7 | 2% | 0.024 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.5 | -52.4 | 176.3 | 177 | 0 | 0 | 0 | 0 | 111.2 | H676 W687 L1150 N1151 G1152 G1157 Q1158 W1159 T1190 | H676-V1155 HydrophobicContact CB-CG2 4.4Å; W687-V1155 HydrophobicContact CH2-CG1 4.45Å; W687-V1155 HydrophobicContact CH2-CG2 3.85Å; W687-V1155 HydrophobicContact CZ2-CG1 3.87Å; W687-V1155 HydrophobicContact CZ2-CG2 3.77Å; L1150-V1155 HydrophobicContact CB-CG2 4.26Å; L1150-V1155 HydrophobicContact CD1-CG2 4.46Å; N1151-V1155 PolarHBondContact O-N 3.42Å; N1151-V1155 VanDerWaalsContact O-N 3.16Å; G1152-V1155 PolarHBondContact O-N 3.47Å; V1155-G1157 VanDerWaalsContact C-N 3.3Å; V1155-G1157 PolarHBondContact O-N 3.05Å; V1155-Q1158 PolarHBondContact O-N 3.05Å; V1155-W1159 HydrophobicContact CG1-CD2 3.73Å; V1155-W1159 HydrophobicContact CG1-CE3 3.88Å; V1155-W1159 HydrophobicContact CG1-CG 4.46Å; V1155-W1159 HydrophobicContact CG1-CH2 3.85Å; V1155-W1159 HydrophobicContact CG1-CZ2 3.68Å; V1155-W1159 HydrophobicContact CG1-CZ3 3.93Å; V1155-W1159 WeakPolarHBondContact O-CB 3.29Å; V1155-W1159 PolarHBondContact O-N 3.42Å; V1155-T1190 HydrophobicContact CB-CG2 4.19Å; V1155-T1190 HydrophobicContact CG1-CG2 3.92Å; V1155-T1190 HydrophobicContact CG2-CG2 4.1Å |
| 1156 | R | 91.1 | Very high | 88.6 | Confident | 25 Ų | 25 | 15.1 Ų | 15.1 | 9% | 0.094 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.5 | -40 | -179.9 | -70.9 | 177.9 | 71.3 | -151.5 | 3.3 | 112.2 | S609 P611 R627 G1152 E1153 A1160 | S609-R1156 PolarHBondContact O-NH2 2.82Å; P611-R1156 HydrophobicContact CB-CB 4.15Å; R627-R1156 PolarHBondContact NH2-O 2.98Å; G1152-R1156 WeakPolarHBondContact O-CB 3.32Å; G1152-R1156 VanDerWaalsContact O-CG 3.28Å; G1152-R1156 WeakPolarHBondContact O-CG 3.49Å; G1152-R1156 PolarHBondContact O-N 3.41Å; E1153-R1156 IonicContact OE1-NH1 3.58Å; E1153-R1156 PolarHBondContact OE1-NH1 2.87Å; E1153-R1156 IonicContact OE2-NH1 2.7Å; R1156-A1160 WeakPolarHBondContact O-CB 3.31Å; R1156-A1160 PolarHBondContact O-N 3.22Å |
| 1157 | G | 90.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.6 | -44.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | L612 E1153 G1154 V1155 A1160 N1161 | L612-G1157 WeakPolarHBondContact O-CA 3.4Å; E1153-G1157 PolarHBondContact O-N 3.24Å; G1154-G1157 PolarHBondContact O-N 3.32Å; V1155-G1157 VanDerWaalsContact C-N 3.3Å; V1155-G1157 PolarHBondContact O-N 3.05Å; G1157-A1160 WeakPolarHBondContact O-CB 3.27Å; G1157-A1160 PolarHBondContact O-N 3.14Å; G1157-N1161 WeakPolarHBondContact O-CB 3.29Å; G1157-N1161 PolarHBondContact O-N 3.36Å |
| 1158 | Q | 89.1 | Confident | 87.1 | Confident | 12 Ų | 12 | 15 Ų | 15 | 6% | 0.056 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 175.9 | -74.7 | 171.3 | -13.1 | 0 | 0 | 112.2 | G1154 V1155 A1160 N1161 L1162 M1185 T1190 | G1154-Q1158 WeakPolarHBondContact O-CB 3.4Å; G1154-Q1158 VanDerWaalsContact O-CG 3.28Å; G1154-Q1158 WeakPolarHBondContact O-CG 3.36Å; G1154-Q1158 PolarHBondContact O-N 3.45Å; V1155-Q1158 PolarHBondContact O-N 3.05Å; Q1158-A1160 VanDerWaalsContact C-N 3.32Å; Q1158-A1160 PolarHBondContact O-N 3.25Å; Q1158-N1161 PolarHBondContact O-N 2.93Å; Q1158-L1162 VanDerWaalsContact O-CB 3.31Å; Q1158-L1162 WeakPolarHBondContact O-CB 3.45Å; Q1158-L1162 PolarHBondContact O-N 2.64Å; Q1158-M1185 PolarHBondContact NE2-O 3.26Å; Q1158-T1190 HydrophobicContact CB-CG2 4.31Å; Q1158-T1190 PolarHBondContact OE1-OG1 2.97Å |
| 1159 | W | 89.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.5 | -34.1 | 174.4 | -69.5 | -10.6 | 0 | 0 | 0 | 112.6 | S631 W632 H676 W687 V1155 S1163 T1190 A1193 A1194 | S631-W1159 VanDerWaalsContact OG-CE3 3.24Å; S631-W1159 VanDerWaalsContact OG-CZ3 3.26Å; S631-W1159 WeakPolarHBondContact OG-CZ3 3.24Å; W632-W1159 AromaticContact CE2-CE3 3.94Å; W632-W1159 HydrophobicContact CH2-CB 3.92Å; W632-W1159 AromaticContact CH2-CD2 4Å; W632-W1159 HydrophobicContact CH2-CD2 4Å; W632-W1159 HydrophobicContact CH2-CE3 4.22Å; W632-W1159 AromaticContact CH2-CG 3.88Å; W632-W1159 HydrophobicContact CH2-CG 3.88Å; W632-W1159 HydrophobicContact CZ2-CB 4.28Å; W632-W1159 AromaticContact CZ2-CD2 3.43Å; W632-W1159 HydrophobicContact CZ2-CD2 3.43Å; W632-W1159 VanDerWaalsContact CZ2-CD2 3.43Å; W632-W1159 AromaticContact CZ2-CE2 3.85Å; W632-W1159 AromaticContact CZ2-CE3 3.45Å; W632-W1159 HydrophobicContact CZ2-CE3 3.45Å; W632-W1159 VanDerWaalsContact CZ2-CE3 3.45Å; W632-W1159 AromaticContact CZ2-CG 3.82Å; W632-W1159 HydrophobicContact CZ2-CG 3.82Å; W632-W1159 HydrophobicContact CZ2-CH2 4.29Å; W632-W1159 HydrophobicContact CZ2-CZ2 4.27Å; W632-W1159 AromaticContact CZ2-CZ3 3.9Å; W632-W1159 HydrophobicContact CZ2-CZ3 3.9Å; W632-W1159 AromaticContact NE1-CH2 3.98Å; W632-W1159 AromaticContact NE1-CZ3 3.66Å; H676-W1159 AromaticContact CE1-CH2 3.53Å; H676-W1159 AromaticContact CE1-CZ3 3.68Å; W687-W1159 HydrophobicContact CZ2-CZ2 4.27Å; V1155-W1159 HydrophobicContact CG1-CD2 3.73Å; V1155-W1159 HydrophobicContact CG1-CE3 3.88Å; V1155-W1159 HydrophobicContact CG1-CG 4.46Å; V1155-W1159 HydrophobicContact CG1-CH2 3.85Å; V1155-W1159 HydrophobicContact CG1-CZ2 3.68Å; V1155-W1159 HydrophobicContact CG1-CZ3 3.93Å; V1155-W1159 WeakPolarHBondContact O-CB 3.29Å; V1155-W1159 PolarHBondContact O-N 3.42Å; W1159-S1163 WeakPolarHBondContact O-CB 3.15Å; W1159-S1163 PolarHBondContact O-N 3.46Å; W1159-T1190 PolarHBondContact NE1-O 2.99Å; W1159-A1193 HydrophobicContact CZ2-CB 4.5Å; W1159-A1194 HydrophobicContact CG-CB 4.49Å |
| 1160 | A | 88.4 | Confident | 84.9 | Confident | 6 Ų | 6 | 11.9 Ų | 11.9 | 5% | 0.05 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.6 | -45.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P611 L613 R1156 G1157 Q1158 S1163 W1164 | P611-A1160 HydrophobicContact CB-CB 4.01Å; P611-A1160 HydrophobicContact CG-CB 3.85Å; L613-A1160 HydrophobicContact CD1-CB 4.25Å; R1156-A1160 WeakPolarHBondContact O-CB 3.31Å; R1156-A1160 PolarHBondContact O-N 3.22Å; G1157-A1160 WeakPolarHBondContact O-CB 3.27Å; G1157-A1160 PolarHBondContact O-N 3.14Å; Q1158-A1160 VanDerWaalsContact C-N 3.32Å; Q1158-A1160 PolarHBondContact O-N 3.25Å; A1160-S1163 PolarHBondContact O-N 3.13Å; A1160-W1164 PolarHBondContact O-N 2.86Å; A1160-W1164 VanDerWaalsContact O-N 3.08Å |
| 1161 | N | 87 | Confident | 83.3 | Confident | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.011 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 177.3 | -173 | 60.6 | 0 | 0 | 0 | 111.5 | L613 P614 F616 G1157 Q1158 S1163 W1164 E1165 | L613-N1161 HydrophobicContact CD2-CB 4.46Å; L613-N1161 HydrophobicContact CG-CB 4.09Å; P614-N1161 PolarHBondContact O-OD1 3.21Å; F616-N1161 PolarHBondContact N-OD1 3.1Å; G1157-N1161 WeakPolarHBondContact O-CB 3.29Å; G1157-N1161 PolarHBondContact O-N 3.36Å; Q1158-N1161 PolarHBondContact O-N 2.93Å; N1161-S1163 PolarHBondContact O-N 3.37Å; N1161-W1164 PolarHBondContact O-N 2.97Å; N1161-W1164 VanDerWaalsContact O-N 3.17Å; N1161-E1165 VanDerWaalsContact ND2-CD 3.33Å; N1161-E1165 PolarHBondContact ND2-OE1 3.09Å; N1161-E1165 WeakPolarHBondContact O-CB 3.34Å; N1161-E1165 WeakPolarHBondContact O-CG 3.19Å; N1161-E1165 PolarHBondContact O-N 3.49Å |
| 1162 | L | 83.7 | Confident | 81.6 | Confident | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.016 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.4 | -46.2 | 175.7 | -180 | 64.7 | 0 | 0 | 0 | 111.9 | Q1158 W1164 E1165 L1166 Y1177 V1191 A1194 L1198 | Q1158-L1162 VanDerWaalsContact O-CB 3.31Å; Q1158-L1162 WeakPolarHBondContact O-CB 3.45Å; Q1158-L1162 PolarHBondContact O-N 2.64Å; L1162-W1164 VanDerWaalsContact C-N 3.29Å; L1162-W1164 PolarHBondContact O-N 3.47Å; L1162-E1165 PolarHBondContact O-N 2.98Å; L1162-L1166 HydrophobicContact CD1-CD1 3.57Å; L1162-L1166 HydrophobicContact CD1-CG 4.07Å; L1162-L1166 HydrophobicContact CG-CD1 3.91Å; L1162-L1166 WeakPolarHBondContact O-CB 3.28Å; L1162-L1166 PolarHBondContact O-N 3.46Å; L1162-Y1177 HydrophobicContact CD1-CD1 4.17Å; L1162-Y1177 HydrophobicContact CD1-CE1 3.5Å; L1162-V1191 HydrophobicContact CD1-CG1 3.89Å; L1162-V1191 HydrophobicContact CD1-CG2 4.32Å; L1162-V1191 HydrophobicContact CD2-CB 4.31Å; L1162-V1191 HydrophobicContact CD2-CG1 3.86Å; L1162-V1191 HydrophobicContact CD2-CG2 4.21Å; L1162-A1194 HydrophobicContact CD2-CB 4.12Å; L1162-L1198 HydrophobicContact CD2-CB 4.05Å; L1162-L1198 WeakPolarHBondContact CD2-O 3.36Å; L1162-L1198 HydrophobicContact CG-CB 4.42Å |
| 1163 | S | 83 | Confident | 79.9 | Confident | 7 Ų | 7 | 16.7 Ų | 16.7 | 5% | 0.049 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.3 | -41.7 | 174.8 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | T205 W1159 A1160 N1161 L1167 | T205-S1163 PolarHBondContact O-OG 3.26Å; W1159-S1163 WeakPolarHBondContact O-CB 3.15Å; W1159-S1163 PolarHBondContact O-N 3.46Å; A1160-S1163 PolarHBondContact O-N 3.13Å; N1161-S1163 PolarHBondContact O-N 3.37Å; S1163-L1167 WeakPolarHBondContact O-CB 3.34Å; S1163-L1167 WeakPolarHBondContact O-CG 3.44Å; S1163-L1167 PolarHBondContact O-N 3.19Å |
| 1164 | W | 84.1 | Confident | 77.9 | Confident | 34 Ų | 34 | 24.2 Ų | 24.2 | 13% | 0.129 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -69.9 | -43.6 | 177.9 | -173.1 | 91.7 | 0 | 0 | 0 | 111.9 | F19 L613 L615 F616 A1160 N1161 L1162 Y1168 A1169 | F19-W1164 HydrophobicContact CE2-CH2 4.28Å; F19-W1164 HydrophobicContact CE2-CZ2 4.16Å; L613-W1164 HydrophobicContact CD1-CB 4.11Å; L613-W1164 HydrophobicContact CD1-CG 4.48Å; L615-W1164 HydrophobicContact CD2-CH2 4.43Å; L615-W1164 HydrophobicContact CD2-CZ3 4.41Å; F616-W1164 AromaticContact CE1-CZ3 3.93Å; F616-W1164 HydrophobicContact CE1-CZ3 3.93Å; F616-W1164 HydrophobicContact CE2-CZ3 4.24Å; F616-W1164 HydrophobicContact CZ-CH2 4.06Å; F616-W1164 AromaticContact CZ-CZ3 3.58Å; F616-W1164 HydrophobicContact CZ-CZ3 3.58Å; A1160-W1164 PolarHBondContact O-N 2.86Å; A1160-W1164 VanDerWaalsContact O-N 3.08Å; N1161-W1164 PolarHBondContact O-N 2.97Å; N1161-W1164 VanDerWaalsContact O-N 3.17Å; L1162-W1164 VanDerWaalsContact C-N 3.29Å; L1162-W1164 PolarHBondContact O-N 3.47Å; W1164-Y1168 HydrophobicContact CD2-CD1 4.43Å; W1164-Y1168 AromaticContact CE2-CD1 3.67Å; W1164-Y1168 AromaticContact CZ2-CD1 3.74Å; W1164-Y1168 HydrophobicContact CZ2-CD1 3.74Å; W1164-Y1168 HydrophobicContact CZ2-CE1 4.02Å; W1164-Y1168 AromaticContact NE1-CD1 3.66Å; W1164-Y1168 WeakPolarHBondContact O-CA 3.46Å; W1164-Y1168 VanDerWaalsContact O-CB 3.28Å; W1164-Y1168 WeakPolarHBondContact O-CB 3.35Å; W1164-Y1168 PolarHBondContact O-N 3.45Å; W1164-A1169 HydrophobicContact CE3-CB 4.42Å; W1164-A1169 HydrophobicContact CH2-CB 4.42Å; W1164-A1169 HydrophobicContact CZ3-CB 4.04Å; W1164-A1169 PolarHBondContact O-N 2.76Å |
| 1165 | E | 79.5 | Confident | 75.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -62.9 | -45.3 | 178.6 | -75 | 176.4 | -178.8 | 0 | 0 | 112.3 | F616 N1161 L1162 A1169 T1170 N1171 Y1177 R1187 | F616-E1165 HydrophobicContact CD1-CG 4.22Å; F616-E1165 WeakPolarHBondContact CD1-OE1 3.4Å; F616-E1165 HydrophobicContact CE1-CG 4.2Å; N1161-E1165 VanDerWaalsContact ND2-CD 3.33Å; N1161-E1165 PolarHBondContact ND2-OE1 3.09Å; N1161-E1165 WeakPolarHBondContact O-CB 3.34Å; N1161-E1165 WeakPolarHBondContact O-CG 3.19Å; N1161-E1165 PolarHBondContact O-N 3.49Å; L1162-E1165 PolarHBondContact O-N 2.98Å; E1165-A1169 CarbonylContact O-C 3.51Å; E1165-A1169 WeakPolarHBondContact O-CB 3.27Å; E1165-T1170 PolarHBondContact O-N 2.81Å; E1165-T1170 VanDerWaalsContact O-N 3.12Å; E1165-N1171 WeakPolarHBondContact O-CB 3.49Å; E1165-N1171 PolarHBondContact O-N 3.13Å; E1165-Y1177 WeakPolarHBondContact OE2-CE1 3.28Å; E1165-R1187 IonicContact OE1-NH2 3.21Å; E1165-R1187 IonicContact OE2-NH2 2.88Å; E1165-R1187 PolarHBondContact OE2-NH2 3.45Å |
| 1166 | L | 77 | Confident | 73.9 | Confident | 32 Ų | 32 | 31.7 Ų | 31.7 | 17% | 0.168 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -78.3 | -51.5 | -178.7 | -72.5 | 172.7 | 0 | 0 | 0 | 112.1 | L1162 T1170 Y1177 L1198 | L1162-L1166 HydrophobicContact CD1-CD1 3.57Å; L1162-L1166 HydrophobicContact CD1-CG 4.07Å; L1162-L1166 HydrophobicContact CG-CD1 3.91Å; L1162-L1166 WeakPolarHBondContact O-CB 3.28Å; L1162-L1166 PolarHBondContact O-N 3.46Å; L1166-T1170 VanDerWaalsContact O-CA 3.28Å; L1166-T1170 WeakPolarHBondContact O-CA 3.23Å; L1166-T1170 PolarHBondContact O-N 2.69Å; L1166-Y1177 HydrophobicContact CD2-CE2 4.12Å; L1166-Y1177 WeakPolarHBondContact CD2-OH 3.42Å; L1166-Y1177 VanDerWaalsContact CG-OH 3.29Å; L1166-Y1177 WeakPolarHBondContact CG-OH 3.48Å; L1166-L1198 HydrophobicContact CB-CD2 3.98Å; L1166-L1198 HydrophobicContact CD1-CB 4.45Å; L1166-L1198 HydrophobicContact CD1-CD2 3.6Å; L1166-L1198 HydrophobicContact CG-CD2 4.41Å |
| 1167 | L | 76.9 | Confident | 72 | Confident | 29 Ų | 29 | 32 Ų | 32 | 15% | 0.152 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -83.3 | -35.5 | -170.2 | -55.9 | 178.4 | 0 | 0 | 0 | 113 | R22 T205 A208 S1163 L1198 | R22-L1167 PolarHBondContact NH1-O 3.45Å; T205-L1167 WeakPolarHBondContact OG1-CB 3.41Å; T205-L1167 WeakPolarHBondContact OG1-CD1 3.39Å; A208-L1167 HydrophobicContact CB-CD2 3.98Å; S1163-L1167 WeakPolarHBondContact O-CB 3.34Å; S1163-L1167 WeakPolarHBondContact O-CG 3.44Å; S1163-L1167 PolarHBondContact O-N 3.19Å; L1167-L1198 HydrophobicContact CD1-CD2 4.45Å; L1167-L1198 HydrophobicContact CD2-CD2 4.46Å; L1167-L1198 HydrophobicContact CG-CD2 4.2Å |
| 1168 | Y | 78.6 | Confident | 69.8 | Low | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.02 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -96.1 | -49.1 | -177.8 | -176.7 | -99.8 | 0 | 0 | 0 | 112.4 | F19 R22 T26 A201 E202 T203 W1164 | F19-Y1168 HydrophobicContact CD2-CE1 4.15Å; F19-Y1168 AromaticContact CE2-CE1 3.92Å; F19-Y1168 HydrophobicContact CE2-CE1 3.92Å; R22-Y1168 PolarHBondContact NH1-O 2.67Å; T26-Y1168 HydrophobicContact CG2-CE2 4.46Å; T26-Y1168 PolarHBondContact OG1-OH 3.42Å; A201-Y1168 HydrophobicContact CB-CE2 4.48Å; A201-Y1168 WeakPolarHBondContact O-CE2 3.3Å; E202-Y1168 VanDerWaalsContact O-CD2 3.3Å; E202-Y1168 WeakPolarHBondContact O-CD2 3.45Å; T203-Y1168 HydrophobicContact CG2-CD1 3.95Å; T203-Y1168 HydrophobicContact CG2-CD2 3.82Å; T203-Y1168 HydrophobicContact CG2-CE1 3.67Å; T203-Y1168 HydrophobicContact CG2-CE2 3.52Å; T203-Y1168 HydrophobicContact CG2-CG 4.01Å; T203-Y1168 VanDerWaalsContact CG2-CZ 3.43Å; W1164-Y1168 HydrophobicContact CD2-CD1 4.43Å; W1164-Y1168 AromaticContact CE2-CD1 3.67Å; W1164-Y1168 AromaticContact CZ2-CD1 3.74Å; W1164-Y1168 HydrophobicContact CZ2-CD1 3.74Å; W1164-Y1168 HydrophobicContact CZ2-CE1 4.02Å; W1164-Y1168 AromaticContact NE1-CD1 3.66Å; W1164-Y1168 WeakPolarHBondContact O-CA 3.46Å; W1164-Y1168 VanDerWaalsContact O-CB 3.28Å; W1164-Y1168 WeakPolarHBondContact O-CB 3.35Å; W1164-Y1168 PolarHBondContact O-N 3.45Å |
| 1169 | A | 72.8 | Confident | 67.7 | Low | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -2.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | W1164 E1165 N1171 | W1164-A1169 HydrophobicContact CE3-CB 4.42Å; W1164-A1169 HydrophobicContact CH2-CB 4.42Å; W1164-A1169 HydrophobicContact CZ3-CB 4.04Å; W1164-A1169 PolarHBondContact O-N 2.76Å; E1165-A1169 CarbonylContact O-C 3.51Å; E1165-A1169 WeakPolarHBondContact O-CB 3.27Å; A1169-N1171 PolarHBondContact O-N 2.98Å |
| 1170 | T | 67.8 | Low | 66.3 | Low | 15 Ų | 15 | 38.1 Ų | 38.1 | 9% | 0.092 | 19% | 0.19 | C | C | . | . | trans | 45.9 | 47.3 | 177.2 | 66.8 | 0 | 0 | 0 | 0 | 112.6 | F18 R22 L114 E1165 L1166 D1172 | F18-T1170 WeakPolarHBondContact CD1-OG1 3.47Å; F18-T1170 HydrophobicContact CE1-CG2 3.52Å; F18-T1170 WeakPolarHBondContact CE1-OG1 3.12Å; F18-T1170 HydrophobicContact CZ-CG2 3.45Å; F18-T1170 VanDerWaalsContact CZ-CG2 3.45Å; F18-T1170 WeakPolarHBondContact CZ-OG1 3.35Å; R22-T1170 VanDerWaalsContact NH1-CG2 3.28Å; L114-T1170 HydrophobicContact CD2-CG2 3.23Å; E1165-T1170 PolarHBondContact O-N 2.81Å; E1165-T1170 VanDerWaalsContact O-N 3.12Å; L1166-T1170 VanDerWaalsContact O-CA 3.28Å; L1166-T1170 WeakPolarHBondContact O-CA 3.23Å; L1166-T1170 PolarHBondContact O-N 2.69Å; T1170-D1172 VanDerWaalsContact C-N 3.34Å; T1170-D1172 PolarHBondContact O-N 3.07Å; T1170-D1172 VanDerWaalsContact O-N 3.08Å | ||
| 1171 | N | 60.6 | Low | 65.3 | Low | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | trans | -82.8 | 80.2 | -178 | -175.5 | 52.8 | 0 | 0 | 0 | 110.4 | K15 E1165 A1169 D1173 Y1177 | K15-N1171 PolarHBondContact NZ-OD1 3.05Å; E1165-N1171 WeakPolarHBondContact O-CB 3.49Å; E1165-N1171 PolarHBondContact O-N 3.13Å; A1169-N1171 PolarHBondContact O-N 2.98Å; N1171-D1173 PolarHBondContact O-N 3.4Å; N1171-D1173 VanDerWaalsContact O-N 3.17Å; N1171-Y1177 PolarHBondContact ND2-OH 2.76Å; N1171-Y1177 WeakPolarHBondContact O-CE2 3.2Å; N1171-Y1177 PolarHBondContact O-OH 3.15Å | ||
| 1172 | D | 53.8 | Low | 64.9 | Low | 101 Ų | 101 | 38.2 Ų | 38.2 | 54% | 0.54 | 19% | 0.19 | S | C | . | . | trans | -85 | 21.8 | -176 | -55.3 | -24.3 | 0 | 0 | 0 | 113.9 | T1170 | T1170-D1172 VanDerWaalsContact C-N 3.34Å; T1170-D1172 PolarHBondContact O-N 3.07Å; T1170-D1172 VanDerWaalsContact O-N 3.08Å | ||
| 1173 | D | 53.2 | Low | 64.9 | Low | 53 Ų | 53 | 38.9 Ų | 38.9 | 28% | 0.283 | 19% | 0.194 | S | C | . | . | trans | -97.3 | 101.8 | -175.3 | 179.5 | -10.6 | 0 | 0 | 0 | 110.2 | N1171 E1175 R1176 Y1177 | N1171-D1173 PolarHBondContact O-N 3.4Å; N1171-D1173 VanDerWaalsContact O-N 3.17Å; D1173-E1175 VanDerWaalsContact C-N 3.34Å; D1173-E1175 PolarHBondContact O-N 3.39Å; D1173-E1175 WeakPolarHBondContact OD1-CB 3.41Å; D1173-E1175 PolarHBondContact OD1-N 2.83Å; D1173-E1175 VanDerWaalsContact OD1-N 3.17Å; D1173-R1176 HydrophobicContact CB-CB 4.03Å; D1173-R1176 WeakPolarHBondContact O-CB 3.48Å; D1173-R1176 PolarHBondContact O-N 3Å; D1173-R1176 PolarHBondContact OD1-N 2.95Å; D1173-Y1177 VanDerWaalsContact O-CD2 3.28Å; D1173-Y1177 WeakPolarHBondContact O-CD2 3.44Å | ||
| 1174 | E | 48.3 | Very low | 65 | Low | 172 Ų | 172 | 40.6 Ų | 40.6 | 80% | 0.804 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -61.1 | -38.6 | -179.7 | -65.3 | -169.4 | 170.9 | 0 | 0 | 112.4 | R1176 Y1177 | E1174-R1176 PolarHBondContact O-N 3.1Å; E1174-Y1177 PolarHBondContact O-N 3.45Å |
| 1175 | E | 43.7 | Very low | 65.1 | Low | 143 Ų | 143 | 39.2 Ų | 39.2 | 67% | 0.668 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -61.1 | -33.1 | 178 | -68.1 | -168.8 | 163.4 | 0 | 0 | 110.9 | D1173 Y1177 S1178 I1179 | D1173-E1175 VanDerWaalsContact C-N 3.34Å; D1173-E1175 PolarHBondContact O-N 3.39Å; D1173-E1175 WeakPolarHBondContact OD1-CB 3.41Å; D1173-E1175 PolarHBondContact OD1-N 2.83Å; D1173-E1175 VanDerWaalsContact OD1-N 3.17Å; E1175-Y1177 PolarHBondContact O-N 3.47Å; E1175-S1178 WeakPolarHBondContact O-CB 3.28Å; E1175-S1178 PolarHBondContact O-N 3.23Å; E1175-S1178 VanDerWaalsContact O-N 3.14Å; E1175-S1178 PolarHBondContact O-OG 2.88Å; E1175-I1179 HydrophobicContact CB-CD1 4.49Å; E1175-I1179 WeakPolarHBondContact O-CG1 3.33Å; E1175-I1179 PolarHBondContact O-N 3.48Å |
| 1176 | R | 53.3 | Low | 65.6 | Low | 20 Ų | 20 | 39.4 Ų | 39.4 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71 | -31.9 | -177 | -153.3 | 171.6 | -159.9 | -144.1 | 3.8 | 114.4 | P9 L10 D1173 E1174 S1178 I1179 Q1180 | P9-R1176 PolarHBondContact O-NH2 3.13Å; L10-R1176 PolarHBondContact O-NH1 3.26Å; L10-R1176 PolarHBondContact O-NH2 3.47Å; D1173-R1176 HydrophobicContact CB-CB 4.03Å; D1173-R1176 WeakPolarHBondContact O-CB 3.48Å; D1173-R1176 PolarHBondContact O-N 3Å; D1173-R1176 PolarHBondContact OD1-N 2.95Å; E1174-R1176 PolarHBondContact O-N 3.1Å; R1176-S1178 PolarHBondContact O-N 3.41Å; R1176-I1179 PolarHBondContact O-N 3.44Å; R1176-Q1180 PolarHBondContact O-N 3.03Å |
| 1177 | Y | 51.6 | Low | 66.1 | Low | 30 Ų | 30 | 38.1 Ų | 38.1 | 12% | 0.118 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -35.7 | 172 | -69.6 | -77.9 | 0 | 0 | 0 | 110.6 | L1162 E1165 L1166 N1171 D1173 E1174 E1175 R1187 N1188 | L1162-Y1177 HydrophobicContact CD1-CD1 4.17Å; L1162-Y1177 HydrophobicContact CD1-CE1 3.5Å; E1165-Y1177 WeakPolarHBondContact OE2-CE1 3.28Å; L1166-Y1177 HydrophobicContact CD2-CE2 4.12Å; L1166-Y1177 WeakPolarHBondContact CD2-OH 3.42Å; L1166-Y1177 VanDerWaalsContact CG-OH 3.29Å; L1166-Y1177 WeakPolarHBondContact CG-OH 3.48Å; N1171-Y1177 PolarHBondContact ND2-OH 2.76Å; N1171-Y1177 WeakPolarHBondContact O-CE2 3.2Å; N1171-Y1177 PolarHBondContact O-OH 3.15Å; D1173-Y1177 VanDerWaalsContact O-CD2 3.28Å; D1173-Y1177 WeakPolarHBondContact O-CD2 3.44Å; E1174-Y1177 PolarHBondContact O-N 3.45Å; E1175-Y1177 PolarHBondContact O-N 3.47Å; Y1177-R1187 PolarHBondContact O-NH1 3.02Å; Y1177-R1187 VanDerWaalsContact O-NH1 3.14Å; Y1177-N1188 PolarHBondContact O-OD1 2.89Å |
| 1178 | S | 44.2 | Very low | 66.5 | Low | 27 Ų | 27 | 36.9 Ų | 36.9 | 19% | 0.189 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.1 | -42.7 | 175.2 | 85.4 | 0 | 0 | 0 | 0 | 112.2 | C712 E1175 R1176 Q1180 A1181 | C712-S1178 WeakPolarHBondContact CB-O 3.46Å; C712-S1178 PolarHBondContact SG-O 2.86Å; E1175-S1178 WeakPolarHBondContact O-CB 3.28Å; E1175-S1178 PolarHBondContact O-N 3.23Å; E1175-S1178 VanDerWaalsContact O-N 3.14Å; E1175-S1178 PolarHBondContact O-OG 2.88Å; R1176-S1178 PolarHBondContact O-N 3.41Å; S1178-Q1180 VanDerWaalsContact C-N 3.29Å; S1178-Q1180 PolarHBondContact O-N 2.94Å; S1178-A1181 WeakPolarHBondContact O-CB 3.44Å; S1178-A1181 PolarHBondContact O-N 2.92Å |
| 1179 | I | 45.3 | Very low | 67 | Low | 100 Ų | 100 | 36.6 Ų | 36.6 | 51% | 0.513 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.4 | -27.1 | -176.6 | -66.2 | 162.8 | 0 | 0 | 0 | 112.7 | E1175 R1176 A1181 | E1175-I1179 HydrophobicContact CB-CD1 4.49Å; E1175-I1179 WeakPolarHBondContact O-CG1 3.33Å; E1175-I1179 PolarHBondContact O-N 3.48Å; R1176-I1179 PolarHBondContact O-N 3.44Å; I1179-A1181 PolarHBondContact O-N 2.89Å |
| 1180 | Q | 59.8 | Low | 67.8 | Low | 14 Ų | 14 | 36.6 Ų | 36.6 | 7% | 0.065 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 22.2 | 176.6 | -64.1 | -176.1 | 9.6 | 0 | 0 | 114.1 | Q579 R1176 S1178 H1182 R1187 | Q579-Q1180 PolarHBondContact NE2-O 3.05Å; R1176-Q1180 PolarHBondContact O-N 3.03Å; S1178-Q1180 VanDerWaalsContact C-N 3.29Å; S1178-Q1180 PolarHBondContact O-N 2.94Å; Q1180-H1182 PolarHBondContact O-N 3.17Å; Q1180-R1187 VanDerWaalsContact O-CD 3.22Å; Q1180-R1187 WeakPolarHBondContact O-CD 3.32Å |
| 1181 | A | 66.3 | Low | 68.8 | Low | 3 Ų | 3 | 36.2 Ų | 36.2 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | trans | -49.8 | 128.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q579 C712 S1178 I1179 | Q579-A1181 PolarHBondContact NE2-O 2.73Å; C712-A1181 HydrophobicContact CB-CB 3.99Å; S1178-A1181 WeakPolarHBondContact O-CB 3.44Å; S1178-A1181 PolarHBondContact O-N 2.92Å; I1179-A1181 PolarHBondContact O-N 2.89Å | ||
| 1182 | H | 80 | Confident | 70 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.032 | 18% | 0.179 | C | C | . | . | trans | -127.8 | 84.6 | 178.8 | -168.4 | -51.6 | 0 | 0 | 0 | 109.3 | T572 E716 Q1180 F1184 M1185 L1186 R1187 | T572-H1182 WeakPolarHBondContact CB-NE2 3.19Å; T572-H1182 PolarHBondContact OG1-CE1 3.37Å; T572-H1182 VanDerWaalsContact OG1-CE1 3.25Å; T572-H1182 PolarHBondContact OG1-NE2 3.25Å; E716-H1182 PolarHBondContact OE1-N 2.91Å; Q1180-H1182 PolarHBondContact O-N 3.17Å; H1182-F1184 VanDerWaalsContact C-N 3.25Å; H1182-F1184 PolarHBondContact O-N 3.26Å; H1182-F1184 VanDerWaalsContact O-N 3.08Å; H1182-M1185 HydrophobicContact CB-CB 4.3Å; H1182-M1185 WeakPolarHBondContact CE1-CG 3.42Å; H1182-M1185 WeakPolarHBondContact ND1-CB 3.4Å; H1182-M1185 WeakPolarHBondContact ND1-CG 3.33Å; H1182-M1185 PolarHBondContact ND1-N 3.42Å; H1182-M1185 CarbonylContact O-C 3.54Å; H1182-M1185 WeakPolarHBondContact O-CA 3.48Å; H1182-M1185 PolarHBondContact O-N 3.08Å; H1182-L1186 PolarHBondContact O-N 3.43Å; H1182-R1187 HydrophobicContact CB-CB 4.07Å | ||
| 1183 | P | 82.3 | Confident | 71.7 | Confident | 17 Ų | 17 | 31.4 Ų | 31.4 | 11% | 0.11 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -32.7 | -170.4 | -26.1 | 34.9 | 0 | 0 | 0 | 114.6 | V715 R719 M1185 L1186 | V715-P1183 HydrophobicContact CG1-CB 4.37Å; V715-P1183 HydrophobicContact CG1-CG 3.75Å; R719-P1183 HydrophobicContact CB-CB 4.24Å; R719-P1183 HydrophobicContact CG-CB 4.25Å; P1183-M1185 VanDerWaalsContact C-N 3.27Å; P1183-M1185 PolarHBondContact O-N 3.05Å; P1183-L1186 VanDerWaalsContact O-CD2 3.3Å; P1183-L1186 WeakPolarHBondContact O-CD2 3.36Å |
| 1184 | F | 85.4 | Confident | 73.4 | Confident | 43 Ų | 43 | 28.9 Ų | 28.9 | 19% | 0.189 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -25.3 | 176.3 | -90.3 | -104.5 | 0 | 0 | 0 | 114.2 | T572 E576 N746 A747 H1182 | T572-F1184 HydrophobicContact CG2-CB 3.87Å; T572-F1184 HydrophobicContact CG2-CD1 4.09Å; T572-F1184 HydrophobicContact CG2-CG 3.92Å; E576-F1184 HydrophobicContact CG-CD2 4.11Å; E576-F1184 HydrophobicContact CG-CE2 4.38Å; E576-F1184 WeakPolarHBondContact OE1-CD2 3.44Å; E576-F1184 WeakPolarHBondContact OE1-CE2 3.19Å; N746-F1184 WeakPolarHBondContact OD1-CD1 3.42Å; N746-F1184 WeakPolarHBondContact OD1-CE1 3.42Å; A747-F1184 WeakPolarHBondContact CB-O 3.46Å; A747-F1184 PolarHBondContact N-O 3.26Å; H1182-F1184 VanDerWaalsContact C-N 3.25Å; H1182-F1184 PolarHBondContact O-N 3.26Å; H1182-F1184 VanDerWaalsContact O-N 3.08Å |
| 1185 | M | 86.6 | Confident | 75.1 | Confident | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.025 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -3.4 | -175.8 | -71.2 | -62.8 | -43.5 | 0 | 0 | 112.6 | F565 T568 A747 Q1158 H1182 P1183 R1187 | F565-M1185 HydrophobicContact CD2-CE 3.58Å; F565-M1185 HydrophobicContact CD2-SD 4.06Å; F565-M1185 HydrophobicContact CE2-CE 3.34Å; F565-M1185 HydrophobicContact CE2-SD 4.04Å; T568-M1185 HydrophobicContact CG2-SD 3.73Å; A747-M1185 HydrophobicContact CB-CE 4.16Å; A747-M1185 HydrophobicContact CB-SD 4.27Å; Q1158-M1185 PolarHBondContact NE2-O 3.26Å; H1182-M1185 HydrophobicContact CB-CB 4.3Å; H1182-M1185 WeakPolarHBondContact CE1-CG 3.42Å; H1182-M1185 WeakPolarHBondContact ND1-CB 3.4Å; H1182-M1185 WeakPolarHBondContact ND1-CG 3.33Å; H1182-M1185 PolarHBondContact ND1-N 3.42Å; H1182-M1185 CarbonylContact O-C 3.54Å; H1182-M1185 WeakPolarHBondContact O-CA 3.48Å; H1182-M1185 PolarHBondContact O-N 3.08Å; P1183-M1185 VanDerWaalsContact C-N 3.27Å; P1183-M1185 PolarHBondContact O-N 3.05Å; M1185-R1187 VanDerWaalsContact C-N 3.29Å; M1185-R1187 PolarHBondContact O-N 3.37Å |
| 1186 | L | 89.7 | Confident | 76.7 | Confident | 5 Ų | 5 | 16.2 Ų | 16.2 | 3% | 0.026 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 49.4 | -179.2 | -53 | 176.4 | 0 | 0 | 0 | 111.6 | L678 E716 V720 L748 L1150 H1182 P1183 N1188 L1189 T1190 | L678-L1186 HydrophobicContact CD2-CD1 3.93Å; E716-L1186 HydrophobicContact CB-CD2 4.09Å; E716-L1186 WeakPolarHBondContact OE2-CA 3.33Å; V720-L1186 HydrophobicContact CG2-CD1 3.75Å; V720-L1186 HydrophobicContact CG2-CD2 3.65Å; V720-L1186 HydrophobicContact CG2-CG 4.37Å; L748-L1186 HydrophobicContact CB-CD1 4.11Å; L1150-L1186 HydrophobicContact CD2-CD1 3.89Å; H1182-L1186 PolarHBondContact O-N 3.43Å; P1183-L1186 VanDerWaalsContact O-CD2 3.3Å; P1183-L1186 WeakPolarHBondContact O-CD2 3.36Å; L1186-N1188 PolarHBondContact O-N 3.21Å; L1186-L1189 HydrophobicContact CB-CB 4.43Å; L1186-L1189 HydrophobicContact CB-CD1 4.41Å; L1186-L1189 HydrophobicContact CD2-CD1 4.23Å; L1186-T1190 VanDerWaalsContact O-CB 3.23Å; L1186-T1190 WeakPolarHBondContact O-CB 3.39Å; L1186-T1190 PolarHBondContact O-N 2.72Å; L1186-T1190 PolarHBondContact O-OG1 2.7Å |
| 1187 | R | 87.1 | Confident | 77.7 | Confident | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.015 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.4 | -47.4 | -169.6 | -178.9 | -167.5 | -176.6 | -90.5 | -0.7 | 110.6 | T617 E716 E1165 Y1177 Q1180 H1182 M1185 T1190 V1191 | T617-R1187 HydrophobicContact CG2-CG 4.49Å; T617-R1187 VanDerWaalsContact CG2-NE 3.3Å; E716-R1187 PolarHBondContact OE1-N 3.37Å; E716-R1187 PolarHBondContact OE2-N 3.32Å; E1165-R1187 IonicContact OE1-NH2 3.21Å; E1165-R1187 IonicContact OE2-NH2 2.88Å; E1165-R1187 PolarHBondContact OE2-NH2 3.45Å; Y1177-R1187 PolarHBondContact O-NH1 3.02Å; Y1177-R1187 VanDerWaalsContact O-NH1 3.14Å; Q1180-R1187 VanDerWaalsContact O-CD 3.22Å; Q1180-R1187 WeakPolarHBondContact O-CD 3.32Å; H1182-R1187 HydrophobicContact CB-CB 4.07Å; M1185-R1187 VanDerWaalsContact C-N 3.29Å; M1185-R1187 PolarHBondContact O-N 3.37Å; R1187-T1190 PolarHBondContact O-N 2.85Å; R1187-V1191 HydrophobicContact CG-CG2 4.4Å; R1187-V1191 WeakPolarHBondContact O-CB 3.49Å; R1187-V1191 VanDerWaalsContact O-CG2 3.24Å; R1187-V1191 WeakPolarHBondContact O-CG2 3.47Å; R1187-V1191 PolarHBondContact O-N 3.27Å |
| 1188 | N | 85.9 | Confident | 78.9 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -71.6 | -42.7 | -173.1 | -64.9 | -6.7 | 0 | 0 | 0 | 110.7 | E716 Y1177 L1186 T1190 V1191 Q1192 | E716-N1188 PolarHBondContact OE1-N 2.93Å; E716-N1188 WeakPolarHBondContact OE2-CB 3.46Å; E716-N1188 PolarHBondContact OE2-N 2.83Å; Y1177-N1188 PolarHBondContact O-OD1 2.89Å; L1186-N1188 PolarHBondContact O-N 3.21Å; N1188-T1190 VanDerWaalsContact C-N 3.27Å; N1188-T1190 PolarHBondContact O-N 3.31Å; N1188-V1191 PolarHBondContact O-N 3.22Å; N1188-Q1192 WeakPolarHBondContact O-CB 3.31Å; N1188-Q1192 PolarHBondContact O-N 3.04Å |
| 1189 | L | 88.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.3 | -38.6 | 172.7 | -65.7 | 174.5 | 0 | 0 | 0 | 112 | M685 L705 E716 V720 L1186 A1193 | M685-L1189 HydrophobicContact CE-CD1 3.75Å; L705-L1189 HydrophobicContact CD1-CB 4.42Å; L705-L1189 HydrophobicContact CD1-CD2 4.19Å; E716-L1189 HydrophobicContact CB-CD1 3.93Å; E716-L1189 HydrophobicContact CB-CG 4.16Å; E716-L1189 PolarHBondContact OE2-N 3.41Å; V720-L1189 HydrophobicContact CG2-CD1 4.32Å; L1186-L1189 HydrophobicContact CB-CB 4.43Å; L1186-L1189 HydrophobicContact CB-CD1 4.41Å; L1186-L1189 HydrophobicContact CD2-CD1 4.23Å; L1189-A1193 WeakPolarHBondContact O-CB 3.43Å; L1189-A1193 PolarHBondContact O-N 3.41Å; L1189-A1193 VanDerWaalsContact O-N 3.13Å |
| 1190 | T | 90.9 | Very high | 82.6 | Confident | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.018 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70.6 | -41 | 177.8 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | W687 V1155 Q1158 W1159 L1186 R1187 N1188 A1193 A1194 | W687-T1190 HydrophobicContact CH2-CG2 3.83Å; W687-T1190 WeakPolarHBondContact CH2-OG1 3.21Å; W687-T1190 HydrophobicContact CZ2-CG2 4.43Å; V1155-T1190 HydrophobicContact CB-CG2 4.19Å; V1155-T1190 HydrophobicContact CG1-CG2 3.92Å; V1155-T1190 HydrophobicContact CG2-CG2 4.1Å; Q1158-T1190 HydrophobicContact CB-CG2 4.31Å; Q1158-T1190 PolarHBondContact OE1-OG1 2.97Å; W1159-T1190 PolarHBondContact NE1-O 2.99Å; L1186-T1190 VanDerWaalsContact O-CB 3.23Å; L1186-T1190 WeakPolarHBondContact O-CB 3.39Å; L1186-T1190 PolarHBondContact O-N 2.72Å; L1186-T1190 PolarHBondContact O-OG1 2.7Å; R1187-T1190 PolarHBondContact O-N 2.85Å; N1188-T1190 VanDerWaalsContact C-N 3.27Å; N1188-T1190 PolarHBondContact O-N 3.31Å; T1190-A1193 PolarHBondContact O-N 2.88Å; T1190-A1194 PolarHBondContact O-N 2.89Å |
| 1191 | V | 87.5 | Confident | 84 | Confident | 7 Ų | 7 | 17.2 Ų | 17.2 | 4% | 0.042 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 175 | 164.9 | 0 | 0 | 0 | 0 | 110.3 | L1162 R1187 N1188 A1193 A1194 G1199 | L1162-V1191 HydrophobicContact CD1-CG1 3.89Å; L1162-V1191 HydrophobicContact CD1-CG2 4.32Å; L1162-V1191 HydrophobicContact CD2-CB 4.31Å; L1162-V1191 HydrophobicContact CD2-CG1 3.86Å; L1162-V1191 HydrophobicContact CD2-CG2 4.21Å; R1187-V1191 HydrophobicContact CG-CG2 4.4Å; R1187-V1191 WeakPolarHBondContact O-CB 3.49Å; R1187-V1191 VanDerWaalsContact O-CG2 3.24Å; R1187-V1191 WeakPolarHBondContact O-CG2 3.47Å; R1187-V1191 PolarHBondContact O-N 3.27Å; N1188-V1191 PolarHBondContact O-N 3.22Å; V1191-A1193 VanDerWaalsContact C-N 3.27Å; V1191-A1193 PolarHBondContact O-N 3.49Å; V1191-A1194 VanDerWaalsContact O-CB 3.29Å; V1191-A1194 WeakPolarHBondContact O-CB 3.19Å; V1191-A1194 PolarHBondContact O-N 3.38Å; V1191-A1194 VanDerWaalsContact O-N 3.13Å; V1191-G1199 WeakPolarHBondContact O-CA 3.45Å |
| 1192 | Q | 87.3 | Confident | 85.1 | Confident | 3 Ų | 3 | 17.2 Ų | 17.2 | 1% | 0.014 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.7 | -37 | 177.3 | -175.5 | 175.9 | 24.9 | 0 | 0 | 112.7 | L705 N1188 A1194 Y1200 P1201 | L705-Q1192 HydrophobicContact CD2-CG 4.11Å; N1188-Q1192 WeakPolarHBondContact O-CB 3.31Å; N1188-Q1192 PolarHBondContact O-N 3.04Å; Q1192-A1194 PolarHBondContact O-N 3.37Å; Q1192-Y1200 HydrophobicContact CB-CE1 4.36Å; Q1192-Y1200 HydrophobicContact CB-CE2 4.12Å; Q1192-Y1200 HydrophobicContact CG-CD2 3.78Å; Q1192-Y1200 HydrophobicContact CG-CE2 3.57Å; Q1192-Y1200 HydrophobicContact CG-CG 4.35Å; Q1192-Y1200 CarbonylContact O-C 3.45Å; Q1192-Y1200 PolarHBondContact O-N 3Å; Q1192-P1201 WeakPolarHBondContact O-CD 3.28Å |
| 1193 | A | 89.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -9.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | W687 K703 L705 W1159 L1189 T1190 V1191 | W687-A1193 HydrophobicContact CB-CB 4.24Å; W687-A1193 HydrophobicContact CD2-CB 3.49Å; W687-A1193 VanDerWaalsContact CD2-CB 3.49Å; W687-A1193 HydrophobicContact CE3-CB 3.59Å; W687-A1193 HydrophobicContact CG-CB 3.8Å; W687-A1193 HydrophobicContact CH2-CB 4.33Å; W687-A1193 HydrophobicContact CZ2-CB 4.29Å; W687-A1193 HydrophobicContact CZ3-CB 4.01Å; K703-A1193 WeakPolarHBondContact CD-O 3.33Å; K703-A1193 PolarHBondContact NZ-O 3.15Å; L705-A1193 HydrophobicContact CD2-CB 3.86Å; W1159-A1193 HydrophobicContact CZ2-CB 4.5Å; L1189-A1193 WeakPolarHBondContact O-CB 3.43Å; L1189-A1193 PolarHBondContact O-N 3.41Å; L1189-A1193 VanDerWaalsContact O-N 3.13Å; T1190-A1193 PolarHBondContact O-N 2.88Å; V1191-A1193 VanDerWaalsContact C-N 3.27Å; V1191-A1193 PolarHBondContact O-N 3.49Å |
| 1194 | A | 87.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -65.3 | 153.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W632 W1159 L1162 T1190 V1191 Q1192 L1198 G1199 P1201 | W632-A1194 HydrophobicContact CH2-CB 3.6Å; W632-A1194 HydrophobicContact CZ2-CB 3.42Å; W632-A1194 VanDerWaalsContact CZ2-CB 3.42Å; W1159-A1194 HydrophobicContact CG-CB 4.49Å; L1162-A1194 HydrophobicContact CD2-CB 4.12Å; T1190-A1194 PolarHBondContact O-N 2.89Å; V1191-A1194 VanDerWaalsContact O-CB 3.29Å; V1191-A1194 WeakPolarHBondContact O-CB 3.19Å; V1191-A1194 PolarHBondContact O-N 3.38Å; V1191-A1194 VanDerWaalsContact O-N 3.13Å; Q1192-A1194 PolarHBondContact O-N 3.37Å; A1194-L1198 HydrophobicContact CB-CB 4.4Å; A1194-G1199 CarbonylContact O-C 3.47Å; A1194-G1199 WeakPolarHBondContact O-CA 3.44Å; A1194-P1201 WeakPolarHBondContact O-CD 3.39Å |
| 1195 | D | 83.6 | Confident | 86.4 | Confident | 7 Ų | 7 | 16.2 Ų | 16.2 | 4% | 0.037 | 9% | 0.089 | C | C | . | . | P | Polyproline II helix | trans | -72.8 | 147.1 | 175.1 | -74.5 | -30.6 | 0 | 0 | 0 | 110.8 | W632 K703 L1198 G1199 | W632-D1195 HydrophobicContact CD2-CB 4.17Å; W632-D1195 HydrophobicContact CG-CB 4Å; K703-D1195 VanDerWaalsContact CE-OD1 3.29Å; K703-D1195 WeakPolarHBondContact CE-OD1 3.43Å; K703-D1195 VanDerWaalsContact NZ-CG 3.27Å; K703-D1195 IonicContact NZ-OD1 3.78Å; K703-D1195 PolarHBondContact NZ-OD1 2.87Å; K703-D1195 IonicContact NZ-OD2 2.75Å; D1195-L1198 PolarHBondContact O-N 3.45Å; D1195-L1198 VanDerWaalsContact O-N 3.08Å; D1195-G1199 PolarHBondContact O-N 3.37Å |
| 1196 | P | 78.6 | Confident | 86.4 | Confident | 42 Ų | 42 | 18.7 Ų | 18.7 | 27% | 0.273 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 143.7 | 170.2 | -25.4 | 34.7 | 0 | 0 | 0 | 111.4 | T638 G1199 | T638-P1196 WeakPolarHBondContact O-CD 3.49Å; P1196-G1199 WeakPolarHBondContact CA-O 3.4Å |
| 1197 | P | 72.8 | Confident | 86.2 | Confident | 101 Ų | 101 | 20.5 Ų | 20.5 | 66% | 0.656 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -88.6 | 6.6 | 9.3 | 36.2 | -37.3 | 0 | 0 | 0 | 114.9 | A208 | A208-P1197 HydrophobicContact CB-CG 4.01Š|
| 1198 | L | 77.5 | Confident | 86.1 | Confident | 21 Ų | 21 | 21.2 Ų | 21.2 | 11% | 0.11 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -37.8 | -174 | -67.5 | 169.1 | 0 | 0 | 0 | 112.7 | W632 L1162 L1166 L1167 A1194 D1195 | W632-L1198 HydrophobicContact CE3-CD1 4.1Å; W632-L1198 HydrophobicContact CH2-CB 4.4Å; W632-L1198 HydrophobicContact CH2-CD1 3.93Å; W632-L1198 HydrophobicContact CZ3-CB 4.4Å; W632-L1198 HydrophobicContact CZ3-CD1 3.25Å; W632-L1198 HydrophobicContact CZ3-CG 4.4Å; L1162-L1198 HydrophobicContact CD2-CB 4.05Å; L1162-L1198 WeakPolarHBondContact CD2-O 3.36Å; L1162-L1198 HydrophobicContact CG-CB 4.42Å; L1166-L1198 HydrophobicContact CB-CD2 3.98Å; L1166-L1198 HydrophobicContact CD1-CB 4.45Å; L1166-L1198 HydrophobicContact CD1-CD2 3.6Å; L1166-L1198 HydrophobicContact CG-CD2 4.41Å; L1167-L1198 HydrophobicContact CD1-CD2 4.45Å; L1167-L1198 HydrophobicContact CD2-CD2 4.46Å; L1167-L1198 HydrophobicContact CG-CD2 4.2Å; A1194-L1198 HydrophobicContact CB-CB 4.4Å; D1195-L1198 PolarHBondContact O-N 3.45Å; D1195-L1198 VanDerWaalsContact O-N 3.08Å |
| 1199 | G | 82.1 | Confident | 86 | Confident | 6 Ų | 6 | 24 Ų | 24 | 6% | 0.062 | 14% | 0.139 | C | C | . | . | trans | -118.1 | -178.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1191 A1194 D1195 P1196 | V1191-G1199 WeakPolarHBondContact O-CA 3.45Å; A1194-G1199 CarbonylContact O-C 3.47Å; A1194-G1199 WeakPolarHBondContact O-CA 3.44Å; D1195-G1199 PolarHBondContact O-N 3.37Å; P1196-G1199 WeakPolarHBondContact CA-O 3.4Å | ||
| 1200 | Y | 85.4 | Confident | 85.4 | Confident | 84 Ų | 84 | 24.6 Ų | 24.6 | 33% | 0.329 | 14% | 0.142 | S | C | . | . | trans | -140.9 | 58.8 | -174.2 | 51.4 | -82.4 | 0 | 0 | 0 | 111.3 | H713 Q1192 I1202 | H713-Y1200 PolarHBondContact CE1-OH 3.19Å; H713-Y1200 PolarHBondContact NE2-OH 3.48Å; Q1192-Y1200 HydrophobicContact CB-CE1 4.36Å; Q1192-Y1200 HydrophobicContact CB-CE2 4.12Å; Q1192-Y1200 HydrophobicContact CG-CD2 3.78Å; Q1192-Y1200 HydrophobicContact CG-CE2 3.57Å; Q1192-Y1200 HydrophobicContact CG-CG 4.35Å; Q1192-Y1200 CarbonylContact O-C 3.45Å; Q1192-Y1200 PolarHBondContact O-N 3Å; Y1200-I1202 PolarHBondContact O-N 2.95Å | ||
| 1201 | P | 89.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -68.6 | 132.7 | 175.1 | 29.1 | -32.2 | 0 | 0 | 0 | 108.2 | A639 C640 K703 Q1192 A1194 Y1203 | A639-P1201 CarbonylContact C-O 3.34Å; A639-P1201 VanDerWaalsContact CA-O 3.31Å; A639-P1201 WeakPolarHBondContact CA-O 3.35Å; A639-P1201 VanDerWaalsContact CB-O 3.25Å; A639-P1201 WeakPolarHBondContact CB-O 3.28Å; C640-P1201 PolarHBondContact N-O 3.43Å; K703-P1201 HydrophobicContact CB-CB 4.28Å; K703-P1201 HydrophobicContact CD-CB 4.18Å; K703-P1201 HydrophobicContact CD-CG 4.33Å; Q1192-P1201 WeakPolarHBondContact O-CD 3.28Å; A1194-P1201 WeakPolarHBondContact O-CD 3.39Å; P1201-Y1203 PolarHBondContact O-N 2.94Å | ||
| 1202 | I | 89.8 | Confident | 84 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -76.8 | -16.3 | -177.6 | 58.2 | 161.4 | 0 | 0 | 0 | 113.2 | C640 P641 C642 D644 S645 Y648 G704 L705 E706 Y1200 | C640-I1202 WeakPolarHBondContact O-CA 3.49Å; P641-I1202 WeakPolarHBondContact CA-O 3.43Å; C642-I1202 HydrophobicContact CB-CG2 4.36Å; D644-I1202 HydrophobicContact CB-CD1 4.41Å; S645-I1202 WeakPolarHBondContact CB-O 3.23Å; Y648-I1202 HydrophobicContact CD2-CD1 3.86Å; Y648-I1202 HydrophobicContact CD2-CG1 4.4Å; Y648-I1202 HydrophobicContact CE2-CD1 3.47Å; Y648-I1202 VanDerWaalsContact CE2-CD1 3.47Å; Y648-I1202 HydrophobicContact CE2-CG1 4.24Å; G704-I1202 WeakPolarHBondContact O-CG1 3.38Å; G704-I1202 PolarHBondContact O-N 3.02Å; L705-I1202 WeakPolarHBondContact O-CD1 3.47Å; E706-I1202 HydrophobicContact CB-CG2 3.65Å; E706-I1202 HydrophobicContact CG-CG2 3.87Å; Y1200-I1202 PolarHBondContact O-N 2.95Å |
| 1203 | Y | 91.7 | Very high | 82.9 | Confident | 32 Ų | 32 | 28.9 Ų | 28.9 | 13% | 0.125 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 140 | 172.9 | 174.7 | -102.8 | 0 | 0 | 0 | 108.8 | Q649 S652 K703 G704 P1201 | Q649-Y1203 HydrophobicContact CB-CD2 4.26Å; Q649-Y1203 HydrophobicContact CB-CE2 3.69Å; Q649-Y1203 HydrophobicContact CG-CE2 4.06Å; S652-Y1203 PolarHBondContact OG-OH 2.91Å; S652-Y1203 VanDerWaalsContact OG-OH 3.1Å; K703-Y1203 CarbonylContact C-O 3.54Å; K703-Y1203 WeakPolarHBondContact CA-O 3.29Å; K703-Y1203 WeakPolarHBondContact CB-O 3.31Å; G704-Y1203 PolarHBondContact N-O 3.35Å; G704-Y1203 PolarHBondContact O-N 3.18Å; P1201-Y1203 PolarHBondContact O-N 2.94Å |
| 1204 | S | 91.6 | Very high | 82.6 | Confident | 10 Ų | 10 | 30.4 Ų | 30.4 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 123.6 | 166.9 | -174.8 | 0 | 0 | 0 | 0 | 107.6 | G637 N701 | G637-S1204 WeakPolarHBondContact CA-OG 3.5Å; N701-S1204 PolarHBondContact ND2-OG 3Å; N701-S1204 PolarHBondContact OD1-OG 2.9Å; N701-S1204 VanDerWaalsContact OD1-OG 3.09Å |
| 1205 | S | 90.2 | Very high | 82.3 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | trans | -69.8 | 151.7 | 174.4 | 74 | 0 | 0 | 0 | 0 | 110.1 | G637 N701 I702 | G637-S1205 WeakPolarHBondContact CA-O 3.45Å; N701-S1205 PolarHBondContact OD1-O 2.85Å; I702-S1205 PolarHBondContact N-OG 3.29Å; I702-S1205 PolarHBondContact O-N 3.4Å | ||
| 1206 | A | 87.3 | Confident | 82.2 | Confident | 57 Ų | 57 | 33.3 Ų | 33.3 | 47% | 0.471 | 19% | 0.19 | S | C | . | . | trans | -57 | 162.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L1208 | A1206-L1208 WeakPolarHBondContact O-CG 3.44Å; A1206-L1208 PolarHBondContact O-N 3.01Å | ||
| 1207 | P | 85.8 | Confident | 82.4 | Confident | 43 Ų | 43 | 32.8 Ų | 32.8 | 28% | 0.279 | 19% | 0.186 | S | C | . | . | trans | -52.1 | 113.9 | 174 | -27.4 | 35.6 | 0 | 0 | 0 | 111.7 | V636 L691 T699 | V636-P1207 HydrophobicContact CB-CG 3.96Å; V636-P1207 HydrophobicContact CG1-CG 4.24Å; L691-P1207 HydrophobicContact CD1-CB 4.1Å; L691-P1207 HydrophobicContact CD1-CG 4.21Å; T699-P1207 HydrophobicContact CG2-CB 3.8Å | ||
| 1208 | L | 85.3 | Confident | 83 | Confident | 19 Ų | 19 | 28.6 Ų | 28.6 | 10% | 0.099 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 112.7 | 179.3 | -65.1 | 176.8 | 0 | 0 | 0 | 108.9 | F365 A656 T699 V700 I702 A1206 | F365-L1208 HydrophobicContact CD2-CD2 3.8Å; F365-L1208 HydrophobicContact CE2-CD2 4.12Å; A656-L1208 HydrophobicContact CB-CD1 4.44Å; T699-L1208 CarbonylContact C-O 3.51Å; T699-L1208 VanDerWaalsContact CA-O 3.28Å; T699-L1208 WeakPolarHBondContact CA-O 3.43Å; V700-L1208 HydrophobicContact CG2-CB 4.17Å; V700-L1208 PolarHBondContact N-O 3.43Å; V700-L1208 PolarHBondContact O-N 3.29Å; I702-L1208 HydrophobicContact CD1-CD1 3.66Å; I702-L1208 HydrophobicContact CG1-CD1 4.08Å; A1206-L1208 WeakPolarHBondContact O-CG 3.44Å; A1206-L1208 PolarHBondContact O-N 3.01Å |
| 1209 | H | 82.8 | Confident | 83.4 | Confident | 60 Ų | 60 | 29.1 Ų | 29.1 | 28% | 0.278 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 124.4 | 176.9 | -60.8 | -83.9 | 0 | 0 | 0 | 109.9 | T699 | T699-H1209 WeakPolarHBondContact CG2-CE1 3.39Å; T699-H1209 VanDerWaalsContact CG2-ND1 3.35Å; T699-H1209 WeakPolarHBondContact CG2-ND1 3.5Å; T699-H1209 PolarHBondContact OG1-CE1 3.42Å; T699-H1209 VanDerWaalsContact OG1-CE1 3.31Å; T699-H1209 PolarHBondContact OG1-ND1 3.17Å |
| 1210 | F | 76.1 | Confident | 83.5 | Confident | 14 Ų | 14 | 30.7 Ų | 30.7 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 150.5 | 174.2 | 43.7 | -106.4 | 0 | 0 | 0 | 114.1 | A656 L659 R660 F663 Y697 C698 V700 | A656-F1210 HydrophobicContact CB-CD1 4.36Å; A656-F1210 HydrophobicContact CB-CE1 4.43Å; L659-F1210 HydrophobicContact CB-CZ 4.43Å; R660-F1210 HydrophobicContact CB-CD2 4.37Å; F663-F1210 AromaticContact CD2-CE2 3.48Å; F663-F1210 HydrophobicContact CD2-CE2 3.48Å; F663-F1210 VanDerWaalsContact CD2-CE2 3.48Å; F663-F1210 AromaticContact CD2-CZ 3.96Å; F663-F1210 HydrophobicContact CD2-CZ 3.96Å; F663-F1210 AromaticContact CE2-CE2 3.63Å; F663-F1210 HydrophobicContact CE2-CE2 3.63Å; F663-F1210 AromaticContact CE2-CZ 3.62Å; F663-F1210 HydrophobicContact CE2-CZ 3.62Å; Y697-F1210 VanDerWaalsContact CA-O 3.31Å; Y697-F1210 WeakPolarHBondContact CA-O 3.38Å; C698-F1210 HydrophobicContact CB-CD2 4.14Å; C698-F1210 HydrophobicContact CB-CE2 3.68Å; C698-F1210 PolarHBondContact N-O 3.45Å; C698-F1210 PolarHBondContact O-N 3.34Å; V700-F1210 HydrophobicContact CB-CE1 4.27Å; V700-F1210 HydrophobicContact CB-CZ 4.15Å; V700-F1210 HydrophobicContact CG1-CE1 4.03Å; V700-F1210 HydrophobicContact CG1-CE2 4.31Å; V700-F1210 HydrophobicContact CG1-CZ 3.43Å; V700-F1210 VanDerWaalsContact CG1-CZ 3.43Å; V700-F1210 HydrophobicContact CG2-CD1 4.45Å; V700-F1210 HydrophobicContact CG2-CE1 3.29Å; V700-F1210 HydrophobicContact CG2-CZ 3.6Å |
| 1211 | P | 76.2 | Confident | 83.3 | Confident | 13 Ų | 13 | 26.6 Ų | 26.6 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 134.2 | 179.6 | 32.8 | -38 | 0 | 0 | 0 | 111.8 | W367 R660 G696 | W367-P1211 HydrophobicContact CD2-CB 4.05Å; W367-P1211 HydrophobicContact CD2-CG 3.68Å; W367-P1211 VanDerWaalsContact CE2-CG 3.48Å; W367-P1211 HydrophobicContact CE3-CB 4.14Å; W367-P1211 HydrophobicContact CE3-CG 4.2Å; W367-P1211 HydrophobicContact CG-CG 3.99Å; W367-P1211 HydrophobicContact CH2-CB 3.63Å; W367-P1211 HydrophobicContact CH2-CG 4.3Å; W367-P1211 HydrophobicContact CZ2-CB 3.48Å; W367-P1211 VanDerWaalsContact CZ2-CB 3.48Å; W367-P1211 HydrophobicContact CZ2-CG 3.75Å; W367-P1211 HydrophobicContact CZ3-CB 3.98Å; R660-P1211 WeakPolarHBondContact CD-O 3.31Å; R660-P1211 WeakPolarHBondContact CG-O 3.44Å; G696-P1211 CarbonylContact O-C 3.53Å; G696-P1211 VanDerWaalsContact O-CA 3.27Å; G696-P1211 WeakPolarHBondContact O-CA 3.32Å |
| 1212 | C | 72.7 | Confident | 82.8 | Confident | 6 Ų | 6 | 28.8 Ų | 28.8 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | trans | -113.2 | 8.7 | -178.7 | -61.2 | 0 | 0 | 0 | 0 | 114.1 | A664 G696 C698 | A664-C1212 VanDerWaalsContact CB-O 3.3Å; A664-C1212 WeakPolarHBondContact CB-O 3.34Å; G696-C1212 PolarHBondContact O-N 3Å; C698-C1212 WeakPolarHBondContact CB-SG 3.39Å | ||
| 1213 | L | 64.8 | Low | 82.2 | Confident | 84 Ų | 84 | 31.1 Ų | 31.1 | 44% | 0.44 | 18% | 0.18 | S | C | . | . | trans | -81.6 | 0 | 173.9 | -82.2 | 159.3 | 0 | 0 | 0 | 112.8 | F377 R468 Y472 Y695 G696 | F377-L1213 HydrophobicContact CE1-CD1 3.69Å; F377-L1213 HydrophobicContact CZ-CD1 4.09Å; R468-L1213 WeakPolarHBondContact CD-OXT 3.49Å; R468-L1213 PolarHBondContact NH1-O 3.3Å; R468-L1213 PolarHBondContact NH1-OXT 2.92Å; Y472-L1213 HydrophobicContact CD1-CD2 4.2Å; Y472-L1213 HydrophobicContact CD2-CD2 4.49Å; Y472-L1213 HydrophobicContact CG-CD2 3.93Å; Y695-L1213 HydrophobicContact CD1-CD1 4.24Å; Y695-L1213 HydrophobicContact CE1-CD1 3.99Å; G696-L1213 VanDerWaalsContact CA-CG 3.41Å |
Retrieved 1,213 of 1,213 residues in 1825.8 ms
(Link to these results)