| 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 | 30.7 | Very low | 30.5 | Very low | 196 Ų | 196 | 96.1 Ų | 96.1 | 97% | 0.966 | 52% | 0.518 | S | S | * | . | 0 | 113.3 | 0 | -58.4 | -63.1 | -97.6 | 0 | 0 | 107.1 | |||||
| 2 | G | 26.7 | Very low | 30.8 | Very low | 40 Ų | 40 | 97 Ų | 97 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | trans | -92.5 | 164.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A4 S5 | G2-A4 PolarHBondContact O-N 3.16Å; G2-A4 VanDerWaalsContact O-N 3.1Å; G2-S5 PolarHBondContact O-N 3.07Å; G2-S5 VanDerWaalsContact O-N 3.09Å; G2-S5 PolarHBondContact O-OG 3.32Å | ||
| 3 | P | 29 | Very low | 30.9 | Very low | 119 Ų | 119 | 94.2 Ų | 94.2 | 77% | 0.773 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -56.8 | -29.5 | 179.7 | 21.8 | -32.5 | 0 | 0 | 0 | 113 | S5 L6 Q7 | P3-S5 PolarHBondContact O-N 3.4Å; P3-L6 PolarHBondContact O-N 2.69Å; P3-Q7 PolarHBondContact O-N 2.99Å |
| 4 | A | 28.3 | Very low | 31.8 | Very low | 74 Ų | 74 | 95.4 Ų | 95.4 | 61% | 0.612 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.7 | -39.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G2 L6 Q7 E8 | G2-A4 PolarHBondContact O-N 3.16Å; G2-A4 VanDerWaalsContact O-N 3.1Å; A4-L6 VanDerWaalsContact C-N 3.35Å; A4-L6 PolarHBondContact O-N 3.49Å; A4-Q7 WeakPolarHBondContact O-CB 3.49Å; A4-Q7 PolarHBondContact O-N 2.78Å; A4-Q7 VanDerWaalsContact O-N 3.17Å; A4-E8 PolarHBondContact O-N 2.98Å |
| 5 | S | 25.8 | Very low | 32.2 | Very low | 30 Ų | 30 | 93.1 Ų | 93.1 | 21% | 0.21 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -75.5 | -26 | -177.9 | 68.5 | 0 | 0 | 0 | 0 | 112.7 | G2 P3 Q7 E9 | G2-S5 PolarHBondContact O-N 3.07Å; G2-S5 VanDerWaalsContact O-N 3.09Å; G2-S5 PolarHBondContact O-OG 3.32Å; P3-S5 PolarHBondContact O-N 3.4Å; S5-Q7 VanDerWaalsContact C-N 3.26Å; S5-E9 PolarHBondContact O-N 3.39Å |
| 6 | L | 28.4 | Very low | 33 | Very low | 93 Ų | 93 | 91.8 Ų | 91.8 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -74 | -20.5 | 171.4 | -67.7 | 170.8 | 0 | 0 | 0 | 112.1 | P3 A4 R10 | P3-L6 PolarHBondContact O-N 2.69Å; A4-L6 VanDerWaalsContact C-N 3.35Å; A4-L6 PolarHBondContact O-N 3.49Å; L6-R10 WeakPolarHBondContact O-CD 3.42Å; L6-R10 WeakPolarHBondContact O-CG 3.32Å; L6-R10 PolarHBondContact O-N 3.29Å |
| 7 | Q | 34.5 | Very low | 33.9 | Very low | 80 Ų | 80 | 89.2 Ų | 89.2 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -79.1 | -46.7 | 171.3 | -164.2 | 67.1 | 29.1 | 0 | 0 | 110.5 | P3 A4 S5 E9 R10 D11 | P3-Q7 PolarHBondContact O-N 2.99Å; A4-Q7 WeakPolarHBondContact O-CB 3.49Å; A4-Q7 PolarHBondContact O-N 2.78Å; A4-Q7 VanDerWaalsContact O-N 3.17Å; S5-Q7 VanDerWaalsContact C-N 3.26Å; Q7-E9 VanDerWaalsContact C-N 3.34Å; Q7-E9 PolarHBondContact O-N 3.42Å; Q7-R10 PolarHBondContact O-N 3.07Å; Q7-D11 WeakPolarHBondContact CG-OD2 3.36Å; Q7-D11 PolarHBondContact NE2-OD2 3.24Å; Q7-D11 PolarHBondContact O-N 3.46Å |
| 8 | E | 32.1 | Very low | 34.8 | Very low | 86 Ų | 86 | 85.8 Ų | 85.8 | 40% | 0.402 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -51.2 | -48.8 | 173.3 | -72.4 | -179.2 | 115.3 | 0 | 0 | 112 | A4 R10 D11 L12 K827 | A4-E8 PolarHBondContact O-N 2.98Å; E8-R10 VanDerWaalsContact C-N 3.34Å; E8-R10 PolarHBondContact O-N 3.2Å; E8-D11 PolarHBondContact O-N 3.37Å; E8-L12 WeakPolarHBondContact O-CB 3.49Å; E8-L12 WeakPolarHBondContact O-CG 3.26Å; E8-L12 PolarHBondContact O-N 3.35Å; E8-L12 VanDerWaalsContact O-N 3.1Å; E8-K827 WeakPolarHBondContact OE1-CE 3.41Å; E8-K827 IonicContact OE1-NZ 2.69Å |
| 9 | E | 30.2 | Very low | 35.9 | Very low | 119 Ų | 119 | 84.3 Ų | 84.3 | 56% | 0.556 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.3 | -34.8 | 178.5 | -73.1 | -176 | 140.1 | 0 | 0 | 113.2 | S5 Q7 A13 | S5-E9 PolarHBondContact O-N 3.39Å; Q7-E9 VanDerWaalsContact C-N 3.34Å; Q7-E9 PolarHBondContact O-N 3.42Å; E9-A13 VanDerWaalsContact O-CB 3.3Å; E9-A13 WeakPolarHBondContact O-CB 3.47Å; E9-A13 PolarHBondContact O-N 3.1Å; E9-A13 VanDerWaalsContact O-N 3.11Å |
| 10 | R | 33.7 | Very low | 37.2 | Very low | 170 Ų | 170 | 84.6 Ų | 84.6 | 64% | 0.642 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -73 | -40 | 179.6 | -79.4 | 173.8 | 174.2 | -164 | -3.8 | 112.7 | L6 Q7 E8 A13 K14 | L6-R10 WeakPolarHBondContact O-CD 3.42Å; L6-R10 WeakPolarHBondContact O-CG 3.32Å; L6-R10 PolarHBondContact O-N 3.29Å; Q7-R10 PolarHBondContact O-N 3.07Å; E8-R10 VanDerWaalsContact C-N 3.34Å; E8-R10 PolarHBondContact O-N 3.2Å; R10-A13 PolarHBondContact O-N 2.77Å; R10-K14 WeakPolarHBondContact O-CG 3.32Å; R10-K14 PolarHBondContact O-N 3.42Å |
| 11 | D | 36.8 | Very low | 38.5 | Very low | 50 Ų | 50 | 81.9 Ų | 81.9 | 27% | 0.267 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -77.8 | -35.2 | -177.2 | -65.8 | -36.8 | 0 | 0 | 0 | 111 | Q7 E8 A13 K14 E15 | Q7-D11 WeakPolarHBondContact CG-OD2 3.36Å; Q7-D11 PolarHBondContact NE2-OD2 3.24Å; Q7-D11 PolarHBondContact O-N 3.46Å; E8-D11 PolarHBondContact O-N 3.37Å; D11-A13 VanDerWaalsContact C-N 3.32Å; D11-A13 PolarHBondContact O-N 3.12Å; D11-K14 PolarHBondContact O-N 3.05Å; D11-K14 WeakPolarHBondContact OD1-CD 3.25Å; D11-K14 WeakPolarHBondContact OD1-CE 3.41Å; D11-K14 IonicContact OD1-NZ 3.85Å; D11-K14 PolarHBondContact OD1-NZ 2.96Å; D11-E15 WeakPolarHBondContact O-CG 3.44Å; D11-E15 PolarHBondContact O-N 3.31Å |
| 12 | L | 33.3 | Very low | 40.4 | Very low | 107 Ų | 107 | 74.2 Ų | 74.2 | 56% | 0.56 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.3 | -38 | 165.7 | -72.8 | 169.3 | 0 | 0 | 0 | 112.9 | E8 E15 S16 | E8-L12 WeakPolarHBondContact O-CB 3.49Å; E8-L12 WeakPolarHBondContact O-CG 3.26Å; E8-L12 PolarHBondContact O-N 3.35Å; E8-L12 VanDerWaalsContact O-N 3.1Å; L12-E15 PolarHBondContact O-N 2.99Å; L12-S16 PolarHBondContact O-N 3.36Å; L12-S16 VanDerWaalsContact O-N 3.09Å |
| 13 | A | 32.6 | Very low | 42.4 | Very low | 60 Ų | 60 | 78.7 Ų | 78.7 | 50% | 0.496 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.4 | -35.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E9 R10 D11 A17 | E9-A13 VanDerWaalsContact O-CB 3.3Å; E9-A13 WeakPolarHBondContact O-CB 3.47Å; E9-A13 PolarHBondContact O-N 3.1Å; E9-A13 VanDerWaalsContact O-N 3.11Å; R10-A13 PolarHBondContact O-N 2.77Å; D11-A13 VanDerWaalsContact C-N 3.32Å; D11-A13 PolarHBondContact O-N 3.12Å; A13-A17 PolarHBondContact O-N 2.81Å |
| 14 | K | 42.9 | Very low | 44.5 | Very low | 111 Ų | 111 | 75.6 Ų | 75.6 | 48% | 0.483 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 172.5 | -69.6 | 170.2 | -170.1 | 164 | 0 | 111.6 | R10 D11 S16 A17 E18 | R10-K14 WeakPolarHBondContact O-CG 3.32Å; R10-K14 PolarHBondContact O-N 3.42Å; D11-K14 PolarHBondContact O-N 3.05Å; D11-K14 WeakPolarHBondContact OD1-CD 3.25Å; D11-K14 WeakPolarHBondContact OD1-CE 3.41Å; D11-K14 IonicContact OD1-NZ 3.85Å; D11-K14 PolarHBondContact OD1-NZ 2.96Å; K14-S16 VanDerWaalsContact C-N 3.27Å; K14-S16 PolarHBondContact O-N 3.1Å; K14-A17 PolarHBondContact O-N 3.42Å; K14-E18 PolarHBondContact O-N 3.47Å |
| 15 | E | 37.8 | Very low | 46.6 | Very low | 61 Ų | 61 | 72.1 Ų | 72.1 | 29% | 0.285 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.4 | -39 | 178 | -76.2 | -171.1 | 164.3 | 0 | 0 | 112.1 | D11 L12 A17 F839 | D11-E15 WeakPolarHBondContact O-CG 3.44Å; D11-E15 PolarHBondContact O-N 3.31Å; L12-E15 PolarHBondContact O-N 2.99Å; E15-A17 VanDerWaalsContact C-N 3.29Å; E15-A17 PolarHBondContact O-N 3.44Å; E15-F839 HydrophobicContact CB-CE1 3.81Å; E15-F839 HydrophobicContact CG-CE1 3.86Å; E15-F839 HydrophobicContact CG-CZ 4.4Å |
| 16 | S | 45.4 | Very low | 48.9 | Very low | 72 Ų | 72 | 74 Ų | 74 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.1 | -32.2 | 173.3 | -168.2 | 0 | 0 | 0 | 0 | 113.3 | L12 K14 E20 | L12-S16 PolarHBondContact O-N 3.36Å; L12-S16 VanDerWaalsContact O-N 3.09Å; K14-S16 VanDerWaalsContact C-N 3.27Å; K14-S16 PolarHBondContact O-N 3.1Å; S16-E20 PolarHBondContact O-N 3.12Å |
| 17 | A | 48.4 | Very low | 51.1 | Low | 49 Ų | 49 | 75.1 Ų | 75.1 | 41% | 0.405 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -85.5 | -7.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A13 K14 E15 K315 | A13-A17 PolarHBondContact O-N 2.81Å; K14-A17 PolarHBondContact O-N 3.42Å; E15-A17 VanDerWaalsContact C-N 3.29Å; E15-A17 PolarHBondContact O-N 3.44Å; A17-K315 PolarHBondContact O-NZ 3.24Å |
| 18 | E | 50.5 | Low | 53 | Low | 27 Ų | 27 | 72 Ų | 72 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -90.4 | -46.2 | 174.8 | -164.1 | 166 | -166.6 | 0 | 0 | 110.6 | K14 E20 C21 Y22 K315 H316 F839 | K14-E18 PolarHBondContact O-N 3.47Å; E18-E20 PolarHBondContact O-N 3.04Å; E18-C21 PolarHBondContact O-N 3.28Å; E18-C21 VanDerWaalsContact O-N 3.15Å; E18-Y22 PolarHBondContact O-N 3.06Å; E18-K315 HydrophobicContact CG-CB 4.06Å; E18-K315 HydrophobicContact CG-CD 4.17Å; E18-H316 PolarHBondContact OE1-N 3.47Å; E18-F839 HydrophobicContact CB-CE2 4.31Å; E18-F839 HydrophobicContact CB-CZ 4.05Å; E18-F839 HydrophobicContact CG-CE2 4.15Å; E18-F839 HydrophobicContact CG-CZ 4.36Å; E18-F839 WeakPolarHBondContact OE2-CE2 3.23Å; E18-F839 WeakPolarHBondContact OE2-CZ 3.24Å |
| 19 | M | 54.9 | Low | 55 | Low | 58 Ų | 58 | 68 Ų | 68 | 29% | 0.286 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.4 | -25.6 | 171.8 | -77 | -66.8 | -75.9 | 0 | 0 | 113.6 | Y22 R23 F839 | M19-Y22 PolarHBondContact O-N 2.93Å; M19-R23 WeakPolarHBondContact O-CG 3.5Å; M19-R23 PolarHBondContact O-N 3.45Å; M19-F839 HydrophobicContact CG-CB 4Å; M19-F839 HydrophobicContact CG-CD1 3.99Å; M19-F839 HydrophobicContact CG-CG 4.05Å; M19-F839 HydrophobicContact SD-CB 3.71Å; M19-F839 HydrophobicContact SD-CG 4.26Å |
| 20 | E | 62.2 | Low | 57.1 | Low | 90 Ų | 90 | 65.9 Ų | 65.9 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.5 | -36.2 | 174.7 | -157.4 | 66.5 | -178 | 0 | 0 | 112.3 | S16 E18 Y22 R23 C24 | S16-E20 PolarHBondContact O-N 3.12Å; E18-E20 PolarHBondContact O-N 3.04Å; E20-Y22 PolarHBondContact O-N 2.75Å; E20-R23 WeakPolarHBondContact O-CB 3.39Å; E20-R23 PolarHBondContact O-N 3.07Å; E20-R23 VanDerWaalsContact OE2-CD 3.26Å; E20-R23 WeakPolarHBondContact OE2-CD 3.27Å; E20-R23 IonicContact OE2-CZ 3.72Å; E20-R23 IonicContact OE2-NE 3.24Å; E20-R23 IonicContact OE2-NH1 3.93Å; E20-R23 PolarHBondContact OE2-NH1 3.49Å; E20-C24 PolarHBondContact O-N 3Å; E20-C24 PolarHBondContact O-SG 3.25Å |
| 21 | C | 65.6 | Low | 59.1 | Low | 28 Ų | 28 | 62.6 Ų | 62.6 | 19% | 0.189 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 173.8 | -74.2 | 0 | 0 | 0 | 0 | 112 | E18 C24 L25 F312 K315 | E18-C21 PolarHBondContact O-N 3.28Å; E18-C21 VanDerWaalsContact O-N 3.15Å; C21-C24 PolarHBondContact O-N 3.4Å; C21-L25 PolarHBondContact O-N 3.09Å; C21-F312 HydrophobicContact CB-CB 4.04Å; C21-K315 PolarHBondContact SG-NZ 3.35Å |
| 22 | Y | 69.9 | Low | 61.1 | Low | 34 Ų | 34 | 60.3 Ų | 60.3 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66 | -36.7 | 173.6 | -175.7 | -117.1 | 0 | 0 | 0 | 112.3 | E18 M19 E20 L25 L26 T229 A232 F312 | E18-Y22 PolarHBondContact O-N 3.06Å; M19-Y22 PolarHBondContact O-N 2.93Å; E20-Y22 PolarHBondContact O-N 2.75Å; Y22-L25 HydrophobicContact CD2-CD2 4.22Å; Y22-L25 HydrophobicContact CE2-CD2 4.42Å; Y22-L25 WeakPolarHBondContact O-CB 3.49Å; Y22-L25 PolarHBondContact O-N 2.93Å; Y22-L26 HydrophobicContact CD1-CD1 4.14Å; Y22-L26 HydrophobicContact CE1-CD1 3.68Å; Y22-L26 HydrophobicContact CE1-CG 4.35Å; Y22-L26 HydrophobicContact CE2-CG 4.46Å; Y22-L26 WeakPolarHBondContact O-CG 3.44Å; Y22-L26 PolarHBondContact O-N 3.5Å; Y22-T229 PolarHBondContact OH-OG1 2.81Å; Y22-A232 HydrophobicContact CD2-CB 4.32Å; Y22-A232 HydrophobicContact CE1-CB 4.29Å; Y22-A232 HydrophobicContact CE2-CB 4.03Å; Y22-F312 HydrophobicContact CD2-CE1 4.29Å; Y22-F312 HydrophobicContact CD2-CE2 4.29Å; Y22-F312 HydrophobicContact CD2-CZ 4.1Å; Y22-F312 HydrophobicContact CG-CE2 4.39Å |
| 23 | R | 69.1 | Low | 63.1 | Low | 134 Ų | 134 | 59.7 Ų | 59.7 | 51% | 0.506 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 170.6 | -72.8 | 168.9 | -178.5 | 157.5 | 1.5 | 112.2 | M19 E20 L25 L26 Q27 | M19-R23 WeakPolarHBondContact O-CG 3.5Å; M19-R23 PolarHBondContact O-N 3.45Å; E20-R23 WeakPolarHBondContact O-CB 3.39Å; E20-R23 PolarHBondContact O-N 3.07Å; E20-R23 VanDerWaalsContact OE2-CD 3.26Å; E20-R23 WeakPolarHBondContact OE2-CD 3.27Å; E20-R23 IonicContact OE2-CZ 3.72Å; E20-R23 IonicContact OE2-NE 3.24Å; E20-R23 IonicContact OE2-NH1 3.93Å; E20-R23 PolarHBondContact OE2-NH1 3.49Å; R23-L25 VanDerWaalsContact C-N 3.29Å; R23-L25 PolarHBondContact O-N 3.25Å; R23-L26 PolarHBondContact O-N 2.97Å; R23-Q27 WeakPolarHBondContact O-CB 3.36Å; R23-Q27 PolarHBondContact O-N 2.92Å |
| 24 | C | 72 | Confident | 65.2 | Low | 55 Ų | 55 | 59.4 Ų | 59.4 | 37% | 0.372 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.5 | -40 | 174.8 | -69.1 | 0 | 0 | 0 | 0 | 111.8 | E20 C21 Q27 A28 A308 | E20-C24 PolarHBondContact O-N 3Å; E20-C24 PolarHBondContact O-SG 3.25Å; C21-C24 PolarHBondContact O-N 3.4Å; C24-Q27 PolarHBondContact O-N 3.31Å; C24-A28 VanDerWaalsContact O-CB 3.31Å; C24-A28 WeakPolarHBondContact O-CB 3.37Å; C24-A28 PolarHBondContact O-N 3.34Å; C24-A308 HydrophobicContact CB-CB 4.37Å |
| 25 | L | 72.8 | Confident | 66.5 | Low | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 173.7 | 179.1 | 66.8 | 0 | 0 | 0 | 111.9 | C21 Y22 R23 Q27 A28 G29 M305 A308 F309 | C21-L25 PolarHBondContact O-N 3.09Å; Y22-L25 HydrophobicContact CD2-CD2 4.22Å; Y22-L25 HydrophobicContact CE2-CD2 4.42Å; Y22-L25 WeakPolarHBondContact O-CB 3.49Å; Y22-L25 PolarHBondContact O-N 2.93Å; R23-L25 VanDerWaalsContact C-N 3.29Å; R23-L25 PolarHBondContact O-N 3.25Å; L25-Q27 VanDerWaalsContact C-N 3.34Å; L25-Q27 PolarHBondContact O-N 2.96Å; L25-A28 PolarHBondContact O-N 3.28Å; L25-G29 PolarHBondContact O-N 2.94Å; L25-M305 HydrophobicContact CD1-CG 3.76Å; L25-A308 HydrophobicContact CB-CB 4.37Å; L25-F309 HydrophobicContact CD1-CB 3.88Å; L25-F309 HydrophobicContact CD1-CD2 4.24Å; L25-F309 HydrophobicContact CD2-CD2 3.82Å |
| 26 | L | 74.2 | Confident | 68.1 | Low | 70 Ų | 70 | 51.8 Ų | 51.8 | 37% | 0.366 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.6 | -37.1 | 177.1 | -67.8 | 175.8 | 0 | 0 | 0 | 112.3 | Y22 R23 G29 S30 | Y22-L26 HydrophobicContact CD1-CD1 4.14Å; Y22-L26 HydrophobicContact CE1-CD1 3.68Å; Y22-L26 HydrophobicContact CE1-CG 4.35Å; Y22-L26 HydrophobicContact CE2-CG 4.46Å; Y22-L26 WeakPolarHBondContact O-CG 3.44Å; Y22-L26 PolarHBondContact O-N 3.5Å; R23-L26 PolarHBondContact O-N 2.97Å; L26-G29 PolarHBondContact O-N 3.33Å; L26-S30 PolarHBondContact O-N 3.49Å |
| 27 | Q | 74.1 | Confident | 69.1 | Low | 117 Ų | 117 | 54.9 Ų | 54.9 | 55% | 0.547 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.7 | -44.6 | 177.1 | -172.5 | 178 | 9.7 | 0 | 0 | 111.8 | R23 C24 L25 G29 S30 Q31 | R23-Q27 WeakPolarHBondContact O-CB 3.36Å; R23-Q27 PolarHBondContact O-N 2.92Å; C24-Q27 PolarHBondContact O-N 3.31Å; L25-Q27 VanDerWaalsContact C-N 3.34Å; L25-Q27 PolarHBondContact O-N 2.96Å; Q27-G29 VanDerWaalsContact C-N 3.29Å; Q27-G29 PolarHBondContact O-N 2.84Å; Q27-S30 PolarHBondContact O-N 3.13Å; Q27-Q31 WeakPolarHBondContact O-CG 3.43Å; Q27-Q31 PolarHBondContact O-N 2.9Å |
| 28 | A | 74.6 | Confident | 69.9 | Low | 13 Ų | 13 | 54.9 Ų | 54.9 | 11% | 0.107 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | C24 L25 Q31 L32 M305 | C24-A28 VanDerWaalsContact O-CB 3.31Å; C24-A28 WeakPolarHBondContact O-CB 3.37Å; C24-A28 PolarHBondContact O-N 3.34Å; L25-A28 PolarHBondContact O-N 3.28Å; A28-Q31 PolarHBondContact O-N 3.42Å; A28-L32 WeakPolarHBondContact O-CB 3.41Å; A28-L32 PolarHBondContact O-N 3.4Å; A28-M305 HydrophobicContact CB-CB 4.17Å; A28-M305 HydrophobicContact CB-CG 4.3Å |
| 29 | G | 74.9 | Confident | 70.4 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -53.6 | -53.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L25 L26 Q27 Q31 L32 E33 | L25-G29 PolarHBondContact O-N 2.94Å; L26-G29 PolarHBondContact O-N 3.33Å; Q27-G29 VanDerWaalsContact C-N 3.29Å; Q27-G29 PolarHBondContact O-N 2.84Å; G29-Q31 PolarHBondContact O-N 3.43Å; G29-L32 PolarHBondContact O-N 3.33Å; G29-E33 WeakPolarHBondContact O-CB 3.31Å; G29-E33 PolarHBondContact O-N 3.26Å |
| 30 | S | 73.3 | Confident | 70.6 | Confident | 75 Ų | 75 | 52.8 Ų | 52.8 | 52% | 0.524 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 178.5 | -175.7 | 0 | 0 | 0 | 0 | 113.2 | L26 Q27 E33 S34 | L26-S30 PolarHBondContact O-N 3.49Å; Q27-S30 PolarHBondContact O-N 3.13Å; S30-E33 PolarHBondContact O-N 2.88Å; S30-S34 WeakPolarHBondContact O-CB 3.37Å; S30-S34 PolarHBondContact O-N 3.5Å |
| 31 | Q | 75.4 | Confident | 70.5 | Confident | 102 Ų | 102 | 49.1 Ų | 49.1 | 48% | 0.477 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 174.5 | -73.9 | 179.6 | 11.3 | 0 | 0 | 112.2 | Q27 A28 G29 T35 Q301 | Q27-Q31 WeakPolarHBondContact O-CG 3.43Å; Q27-Q31 PolarHBondContact O-N 2.9Å; A28-Q31 PolarHBondContact O-N 3.42Å; G29-Q31 PolarHBondContact O-N 3.43Å; Q31-T35 PolarHBondContact O-N 3.46Å; Q31-T35 VanDerWaalsContact O-N 3.13Å; Q31-T35 PolarHBondContact O-OG1 2.89Å; Q31-Q301 PolarHBondContact O-NE2 3.36Å |
| 32 | L | 79 | Confident | 70.3 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 173.9 | -178.2 | 72.1 | 0 | 0 | 0 | 110.6 | A28 G29 S34 T35 L36 V217 A221 L298 Q301 M305 | A28-L32 WeakPolarHBondContact O-CB 3.41Å; A28-L32 PolarHBondContact O-N 3.4Å; G29-L32 PolarHBondContact O-N 3.33Å; L32-S34 VanDerWaalsContact C-N 3.31Å; L32-S34 PolarHBondContact O-N 2.82Å; L32-T35 CarbonylContact O-C 3.58Å; L32-T35 WeakPolarHBondContact O-CA 3.48Å; L32-T35 WeakPolarHBondContact O-CB 3.38Å; L32-T35 PolarHBondContact O-N 3.47Å; L32-L36 HydrophobicContact CD1-CD1 4.49Å; L32-L36 HydrophobicContact CD1-CG 4.41Å; L32-L36 HydrophobicContact CD2-CD1 4.04Å; L32-L36 HydrophobicContact CG-CD1 3.77Å; L32-L36 HydrophobicContact CG-CG 4.13Å; L32-L36 WeakPolarHBondContact O-CB 3.46Å; L32-L36 WeakPolarHBondContact O-CG 3.32Å; L32-L36 PolarHBondContact O-N 3.42Å; L32-V217 HydrophobicContact CD1-CG1 3.93Å; L32-V217 HydrophobicContact CD2-CG1 3.94Å; L32-V217 HydrophobicContact CG-CG1 4.49Å; L32-A221 HydrophobicContact CD2-CB 3.36Å; L32-L298 HydrophobicContact CD1-CD2 3.75Å; L32-Q301 HydrophobicContact CB-CB 4.24Å; L32-Q301 HydrophobicContact CD1-CB 3.61Å; L32-Q301 HydrophobicContact CG-CB 4.48Å; L32-M305 HydrophobicContact CB-CE 3.69Å; L32-M305 HydrophobicContact CD2-CE 3.45Å; L32-M305 VanDerWaalsContact CD2-CE 3.45Å; L32-M305 HydrophobicContact CG-CE 4.21Å |
| 33 | E | 76.4 | Confident | 70.4 | Confident | 94 Ų | 94 | 53 Ų | 53 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 177 | -175 | 170.5 | -148 | 0 | 0 | 111.8 | G29 S30 T35 L36 Q37 | G29-E33 WeakPolarHBondContact O-CB 3.31Å; G29-E33 PolarHBondContact O-N 3.26Å; S30-E33 PolarHBondContact O-N 2.88Å; E33-T35 VanDerWaalsContact C-N 3.33Å; E33-T35 PolarHBondContact O-N 3.47Å; E33-L36 PolarHBondContact O-N 2.9Å; E33-L36 VanDerWaalsContact O-N 3.17Å; E33-Q37 VanDerWaalsContact O-CG 3.31Å; E33-Q37 WeakPolarHBondContact O-CG 3.38Å; E33-Q37 PolarHBondContact O-N 2.89Å |
| 34 | S | 74.9 | Confident | 70.8 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 38% | 0.378 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.1 | -40.3 | 171.3 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | S30 L32 Q38 | S30-S34 WeakPolarHBondContact O-CB 3.37Å; S30-S34 PolarHBondContact O-N 3.5Å; L32-S34 VanDerWaalsContact C-N 3.31Å; L32-S34 PolarHBondContact O-N 2.82Å; S34-Q38 WeakPolarHBondContact O-CG 3.41Å; S34-Q38 PolarHBondContact O-NE2 3.29Å |
| 35 | T | 71.9 | Confident | 71.2 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.9 | -44.7 | 171.2 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | Q31 L32 E33 Q37 Q38 V39 R297 L298 Q301 | Q31-T35 PolarHBondContact O-N 3.46Å; Q31-T35 VanDerWaalsContact O-N 3.13Å; Q31-T35 PolarHBondContact O-OG1 2.89Å; L32-T35 CarbonylContact O-C 3.58Å; L32-T35 WeakPolarHBondContact O-CA 3.48Å; L32-T35 WeakPolarHBondContact O-CB 3.38Å; L32-T35 PolarHBondContact O-N 3.47Å; E33-T35 VanDerWaalsContact C-N 3.33Å; E33-T35 PolarHBondContact O-N 3.47Å; T35-Q37 VanDerWaalsContact C-N 3.31Å; T35-Q37 PolarHBondContact O-N 2.88Å; T35-Q38 CarbonylContact O-C 3.58Å; T35-Q38 VanDerWaalsContact O-CA 3.24Å; T35-Q38 WeakPolarHBondContact O-CA 3.13Å; T35-Q38 WeakPolarHBondContact O-CB 3.4Å; T35-Q38 PolarHBondContact O-N 3.41Å; T35-V39 HydrophobicContact CG2-CG2 4.04Å; T35-V39 WeakPolarHBondContact O-CG2 3.41Å; T35-V39 PolarHBondContact O-N 2.88Å; T35-V39 VanDerWaalsContact O-N 3.09Å; T35-R297 HydrophobicContact CG2-CG 4.03Å; T35-L298 HydrophobicContact CG2-CD2 3.72Å; T35-L298 HydrophobicContact CG2-CG 4.28Å; T35-Q301 PolarHBondContact OG1-NE2 2.87Å; T35-Q301 PolarHBondContact OG1-OE1 2.57Å |
| 36 | L | 70.4 | Confident | 71.6 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.4 | -37.2 | -179.1 | -72.5 | 166 | 0 | 0 | 0 | 111.7 | L32 E33 Q38 V39 T40 A214 K218 L298 | L32-L36 HydrophobicContact CD1-CD1 4.49Å; L32-L36 HydrophobicContact CD1-CG 4.41Å; L32-L36 HydrophobicContact CD2-CD1 4.04Å; L32-L36 HydrophobicContact CG-CD1 3.77Å; L32-L36 HydrophobicContact CG-CG 4.13Å; L32-L36 WeakPolarHBondContact O-CB 3.46Å; L32-L36 WeakPolarHBondContact O-CG 3.32Å; L32-L36 PolarHBondContact O-N 3.42Å; E33-L36 PolarHBondContact O-N 2.9Å; E33-L36 VanDerWaalsContact O-N 3.17Å; L36-Q38 PolarHBondContact O-N 3.36Å; L36-Q38 VanDerWaalsContact O-N 3.14Å; L36-V39 CarbonylContact O-C 3.53Å; L36-V39 PolarHBondContact O-N 2.83Å; L36-T40 PolarHBondContact O-N 3.29Å; L36-T40 PolarHBondContact O-OG1 2.74Å; L36-A214 HydrophobicContact CD2-CB 4.38Å; L36-A214 VanDerWaalsContact CD2-O 3.23Å; L36-A214 WeakPolarHBondContact CD2-O 3.26Å; L36-K218 HydrophobicContact CD1-CB 3.64Å; L36-K218 HydrophobicContact CD1-CG 3.88Å; L36-K218 HydrophobicContact CD2-CB 4.14Å; L36-L298 HydrophobicContact CD2-CD2 3.73Å; L36-L298 HydrophobicContact CG-CD2 4.2Å |
| 37 | Q | 67.6 | Low | 72 | Confident | 136 Ų | 136 | 57.8 Ų | 57.8 | 64% | 0.636 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.4 | -18 | 169.5 | -70.1 | 172.1 | 10.3 | 0 | 0 | 113.4 | E33 T35 | E33-Q37 VanDerWaalsContact O-CG 3.31Å; E33-Q37 WeakPolarHBondContact O-CG 3.38Å; E33-Q37 PolarHBondContact O-N 2.89Å; T35-Q37 VanDerWaalsContact C-N 3.31Å; T35-Q37 PolarHBondContact O-N 2.88Å |
| 38 | Q | 63.4 | Low | 72.6 | Confident | 49 Ų | 49 | 52.2 Ų | 52.2 | 23% | 0.229 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -94.9 | -9 | 170.4 | -56.4 | 159.7 | 53.1 | 0 | 0 | 113.2 | S34 T35 L36 R99 R101 | S34-Q38 WeakPolarHBondContact O-CG 3.41Å; S34-Q38 PolarHBondContact O-NE2 3.29Å; T35-Q38 CarbonylContact O-C 3.58Å; T35-Q38 VanDerWaalsContact O-CA 3.24Å; T35-Q38 WeakPolarHBondContact O-CA 3.13Å; T35-Q38 WeakPolarHBondContact O-CB 3.4Å; T35-Q38 PolarHBondContact O-N 3.41Å; L36-Q38 PolarHBondContact O-N 3.36Å; L36-Q38 VanDerWaalsContact O-N 3.14Å; Q38-R99 WeakPolarHBondContact O-CD 3.33Å; Q38-R99 PolarHBondContact O-NE 2.93Å; Q38-R99 PolarHBondContact O-NH1 3.25Å; Q38-R99 PolarHBondContact O-NH2 3.4Å; Q38-R101 VanDerWaalsContact NE2-NH2 3.18Å |
| 39 | V | 61.4 | Low | 72.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -115.6 | -48.4 | -176.7 | -170.3 | 0 | 0 | 0 | 0 | 113.2 | T35 L36 V41 R99 A214 T294 L298 | T35-V39 HydrophobicContact CG2-CG2 4.04Å; T35-V39 WeakPolarHBondContact O-CG2 3.41Å; T35-V39 PolarHBondContact O-N 2.88Å; T35-V39 VanDerWaalsContact O-N 3.09Å; L36-V39 CarbonylContact O-C 3.53Å; L36-V39 PolarHBondContact O-N 2.83Å; V39-V41 PolarHBondContact O-N 2.95Å; V39-R99 VanDerWaalsContact C-NH2 3.29Å; V39-R99 VanDerWaalsContact O-CZ 3.24Å; V39-R99 PolarHBondContact O-NH1 3.28Å; V39-R99 PolarHBondContact O-NH2 3.32Å; V39-A214 HydrophobicContact CB-CB 4.25Å; V39-A214 HydrophobicContact CG1-CB 3.54Å; V39-T294 HydrophobicContact CB-CG2 4.27Å; V39-T294 HydrophobicContact CG1-CG2 3.84Å; V39-T294 HydrophobicContact CG2-CG2 3.35Å; V39-L298 HydrophobicContact CG1-CD1 4.15Å; V39-L298 HydrophobicContact CG2-CD1 4.33Å |
| 40 | T | 58.6 | Low | 73.3 | Confident | 42 Ų | 42 | 53.5 Ų | 53.5 | 26% | 0.258 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -73.8 | 110.5 | 167.4 | 56 | 0 | 0 | 0 | 0 | 108.8 | L36 A214 V215 | L36-T40 PolarHBondContact O-N 3.29Å; L36-T40 PolarHBondContact O-OG1 2.74Å; T40-A214 HydrophobicContact CG2-CB 4.32Å; T40-V215 HydrophobicContact CG2-CG2 4.3Å |
| 41 | V | 61.4 | Low | 74 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | trans | -66.3 | 147.2 | 170.3 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | V39 L43 Y93 L96 | V39-V41 PolarHBondContact O-N 2.95Å; V41-L43 WeakPolarHBondContact CB-O 3.14Å; V41-L43 HydrophobicContact CG1-CB 4.49Å; V41-L43 VanDerWaalsContact CG1-O 3.23Å; V41-L43 WeakPolarHBondContact CG1-O 3.24Å; V41-L43 PolarHBondContact O-N 3Å; V41-L43 VanDerWaalsContact O-N 3.11Å; V41-Y93 HydrophobicContact CG1-CD2 4.2Å; V41-Y93 HydrophobicContact CG2-CD2 4.48Å; V41-Y93 HydrophobicContact CG2-CE2 4.21Å; V41-L96 HydrophobicContact CG1-CB 3.78Å; V41-L96 HydrophobicContact CG1-CD1 3.73Å; V41-L96 HydrophobicContact CG1-CG 4.43Å | ||
| 42 | P | 60.8 | Low | 74.6 | Confident | 119 Ų | 119 | 48.6 Ų | 48.6 | 77% | 0.773 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -61.1 | -12.4 | 172.7 | -25.6 | 35.9 | 0 | 0 | 0 | 115.6 | ||
| 43 | L | 71.6 | Confident | 75 | Confident | 25 Ų | 25 | 54.6 Ų | 54.6 | 13% | 0.131 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -124.9 | 123.5 | 170.6 | -78 | 160.2 | 0 | 0 | 0 | 106.9 | V41 K89 T92 Y93 | V41-L43 WeakPolarHBondContact CB-O 3.14Å; V41-L43 HydrophobicContact CG1-CB 4.49Å; V41-L43 VanDerWaalsContact CG1-O 3.23Å; V41-L43 WeakPolarHBondContact CG1-O 3.24Å; V41-L43 PolarHBondContact O-N 3Å; V41-L43 VanDerWaalsContact O-N 3.11Å; L43-K89 HydrophobicContact CD1-CB 4.3Å; L43-K89 HydrophobicContact CD1-CG 4.2Å; L43-K89 HydrophobicContact CD2-CB 4.45Å; L43-K89 HydrophobicContact CD2-CD 4.38Å; L43-K89 HydrophobicContact CD2-CG 4.01Å; L43-T92 HydrophobicContact CD1-CG2 3.75Å; L43-Y93 VanDerWaalsContact O-CD2 3.23Å; L43-Y93 WeakPolarHBondContact O-CD2 3.31Å |
| 44 | S | 77.7 | Confident | 75.5 | Confident | 36 Ų | 36 | 57.1 Ų | 57.1 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | trans | -87.1 | 158.1 | -179.5 | 65.3 | 0 | 0 | 0 | 0 | 112.5 | K46 E47 | S44-K46 PolarHBondContact O-N 3.07Å; S44-E47 WeakPolarHBondContact CB-OE2 3.15Å; S44-E47 PolarHBondContact N-OE2 3.23Å; S44-E47 PolarHBondContact O-N 3.05Å; S44-E47 PolarHBondContact OG-OE2 2.95Å | ||
| 45 | L | 81.4 | Confident | 76 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.6 | -25.7 | 172.2 | -174.2 | 53.2 | 0 | 0 | 0 | 112.8 | E47 V48 G49 I52 Y93 R207 T208 E211 | L45-E47 VanDerWaalsContact C-N 3.31Å; L45-E47 PolarHBondContact O-N 3.41Å; L45-V48 HydrophobicContact CD1-CG2 4.35Å; L45-G49 WeakPolarHBondContact O-CA 3.31Å; L45-G49 PolarHBondContact O-N 3.15Å; L45-I52 HydrophobicContact CD1-CB 4.37Å; L45-I52 HydrophobicContact CD1-CG1 4.26Å; L45-I52 HydrophobicContact CD1-CG2 4.2Å; L45-Y93 HydrophobicContact CB-CE2 4.47Å; L45-Y93 HydrophobicContact CD1-CE1 3.88Å; L45-R207 HydrophobicContact CD2-CB 3.98Å; L45-R207 HydrophobicContact CD2-CG 3.93Å; L45-T208 WeakPolarHBondContact CD2-OG1 3.3Å; L45-E211 WeakPolarHBondContact CB-OE2 3.1Å; L45-E211 PolarHBondContact N-OE2 2.83Å |
| 46 | K | 81.3 | Confident | 76.8 | Confident | 192 Ų | 192 | 58 Ų | 58 | 84% | 0.835 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.5 | -27.1 | 176.1 | -66.5 | -179.8 | -179.5 | 173.9 | 0 | 113.6 | S44 | S44-K46 PolarHBondContact O-N 3.07Å |
| 47 | E | 82.3 | Confident | 77.7 | Confident | 118 Ų | 118 | 57.7 Ų | 57.7 | 55% | 0.551 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -88 | -22.8 | -176.9 | -69.8 | 160.8 | 110.8 | 0 | 0 | 112.8 | S44 L45 | S44-E47 WeakPolarHBondContact CB-OE2 3.15Å; S44-E47 PolarHBondContact N-OE2 3.23Å; S44-E47 PolarHBondContact O-N 3.05Å; S44-E47 PolarHBondContact OG-OE2 2.95Å; L45-E47 VanDerWaalsContact C-N 3.31Å; L45-E47 PolarHBondContact O-N 3.41Å |
| 48 | V | 85.8 | Confident | 78.7 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -109.3 | -8.1 | 175.9 | -65.1 | 0 | 0 | 0 | 0 | 113.7 | L45 G50 Y51 I52 K89 V90 Y93 | L45-V48 HydrophobicContact CD1-CG2 4.35Å; V48-G50 PolarHBondContact O-N 2.69Å; V48-Y51 WeakPolarHBondContact O-CB 3.36Å; V48-Y51 PolarHBondContact O-N 2.98Å; V48-I52 HydrophobicContact CB-CG1 4.1Å; V48-I52 HydrophobicContact CG2-CG1 3.78Å; V48-I52 PolarHBondContact O-N 3.31Å; V48-K89 HydrophobicContact CG1-CB 4.11Å; V48-V90 HydrophobicContact CB-CG2 4.13Å; V48-V90 HydrophobicContact CG1-CG2 4.17Å; V48-Y93 HydrophobicContact CG2-CD1 3.65Å; V48-Y93 HydrophobicContact CG2-CD2 4.28Å; V48-Y93 HydrophobicContact CG2-CE1 4.16Å; V48-Y93 HydrophobicContact CG2-CG 3.72Å |
| 49 | G | 81.5 | Confident | 79.9 | Confident | 8 Ų | 8 | 49 Ų | 49 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -49.4 | -52.9 | -169 | 0 | 0 | 0 | 0 | 0 | 114 | L45 Y51 I52 E53 | L45-G49 WeakPolarHBondContact O-CA 3.31Å; L45-G49 PolarHBondContact O-N 3.15Å; G49-Y51 PolarHBondContact O-N 2.91Å; G49-I52 PolarHBondContact O-N 2.81Å; G49-E53 WeakPolarHBondContact O-CB 3.08Å; G49-E53 VanDerWaalsContact O-CG 3.25Å; G49-E53 WeakPolarHBondContact O-CG 3.06Å; G49-E53 PolarHBondContact O-N 2.73Å |
| 50 | G | 84.2 | Confident | 80.9 | Confident | 34 Ų | 34 | 49.6 Ų | 49.6 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.3 | 2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | V48 K54 | V48-G50 PolarHBondContact O-N 2.69Å; G50-K54 WeakPolarHBondContact O-CD 3.48Å; G50-K54 WeakPolarHBondContact O-CE 3.29Å; G50-K54 PolarHBondContact O-NZ 3.35Å |
| 51 | Y | 87.2 | Confident | 81.9 | Confident | 73 Ų | 73 | 48.5 Ų | 48.5 | 29% | 0.286 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -110.8 | -36.7 | 166.3 | -60.7 | -78.8 | 0 | 0 | 0 | 111.9 | V48 G49 K54 Q55 V56 I82 A86 V90 | V48-Y51 WeakPolarHBondContact O-CB 3.36Å; V48-Y51 PolarHBondContact O-N 2.98Å; G49-Y51 PolarHBondContact O-N 2.91Å; Y51-K54 PolarHBondContact O-N 2.73Å; Y51-Q55 PolarHBondContact O-N 2.66Å; Y51-V56 HydrophobicContact CD1-CG2 4.33Å; Y51-V56 WeakPolarHBondContact O-CB 3.49Å; Y51-V56 WeakPolarHBondContact O-CG2 3.23Å; Y51-V56 PolarHBondContact O-N 2.84Å; Y51-V56 VanDerWaalsContact O-N 3.14Å; Y51-I82 HydrophobicContact CD1-CG2 4.16Å; Y51-I82 HydrophobicContact CE1-CG2 3.94Å; Y51-A86 HydrophobicContact CD2-CB 4.46Å; Y51-A86 HydrophobicContact CE1-CB 4.24Å; Y51-A86 HydrophobicContact CE2-CB 3.76Å; Y51-V90 HydrophobicContact CG-CG2 4.35Å |
| 52 | I | 87.7 | Confident | 83 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -49.3 | 172.8 | -63.1 | -62.5 | 0 | 0 | 0 | 110.5 | L45 V48 G49 K54 Q55 V90 Y93 L94 H200 W203 I204 | L45-I52 HydrophobicContact CD1-CB 4.37Å; L45-I52 HydrophobicContact CD1-CG1 4.26Å; L45-I52 HydrophobicContact CD1-CG2 4.2Å; V48-I52 HydrophobicContact CB-CG1 4.1Å; V48-I52 HydrophobicContact CG2-CG1 3.78Å; V48-I52 PolarHBondContact O-N 3.31Å; G49-I52 PolarHBondContact O-N 2.81Å; I52-K54 PolarHBondContact O-N 2.8Å; I52-K54 VanDerWaalsContact O-N 3.12Å; I52-Q55 WeakPolarHBondContact O-CA 3.43Å; I52-Q55 PolarHBondContact O-N 2.83Å; I52-V90 HydrophobicContact CD1-CG1 4.01Å; I52-Y93 HydrophobicContact CD1-CD1 4.45Å; I52-L94 HydrophobicContact CD1-CD1 4.31Å; I52-L94 HydrophobicContact CD1-CD2 4.1Å; I52-L94 HydrophobicContact CD1-CG 4.24Å; I52-H200 PolarHBondContact O-CE1 2.92Å; I52-H200 PolarHBondContact O-NE2 2.79Å; I52-W203 HydrophobicContact CG2-CZ3 3.97Å; I52-I204 HydrophobicContact CG2-CD1 4.12Å; I52-I204 HydrophobicContact CG2-CG1 4.14Å |
| 53 | E | 87 | Confident | 84.1 | Confident | 128 Ų | 128 | 44.5 Ų | 44.5 | 60% | 0.598 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -26.4 | 174.6 | -70.1 | 164.8 | -174 | 0 | 0 | 113.5 | G49 Q55 I204 | G49-E53 WeakPolarHBondContact O-CB 3.08Å; G49-E53 VanDerWaalsContact O-CG 3.25Å; G49-E53 WeakPolarHBondContact O-CG 3.06Å; G49-E53 PolarHBondContact O-N 2.73Å; E53-Q55 VanDerWaalsContact C-N 3.3Å; E53-I204 HydrophobicContact CG-CD1 4.07Å |
| 54 | K | 86.6 | Confident | 84.7 | Confident | 147 Ų | 147 | 43.5 Ų | 43.5 | 64% | 0.639 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | 9.2 | 175.9 | -62.9 | 179.7 | -170.8 | 155 | 0 | 112.8 | G50 Y51 I52 V56 | G50-K54 WeakPolarHBondContact O-CD 3.48Å; G50-K54 WeakPolarHBondContact O-CE 3.29Å; G50-K54 PolarHBondContact O-NZ 3.35Å; Y51-K54 PolarHBondContact O-N 2.73Å; I52-K54 PolarHBondContact O-N 2.8Å; I52-K54 VanDerWaalsContact O-N 3.12Å; K54-V56 HydrophobicContact CB-CG2 4.36Å; K54-V56 PolarHBondContact O-N 3.25Å; K54-V56 VanDerWaalsContact O-N 3.15Å |
| 55 | Q | 86.6 | Confident | 84.6 | Confident | 74 Ų | 74 | 49.4 Ų | 49.4 | 35% | 0.346 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 32.9 | -180 | -61.1 | 179.1 | -40.4 | 0 | 0 | 114 | Y51 I52 E53 A57 P74 H200 | Y51-Q55 PolarHBondContact O-N 2.66Å; I52-Q55 WeakPolarHBondContact O-CA 3.43Å; I52-Q55 PolarHBondContact O-N 2.83Å; E53-Q55 VanDerWaalsContact C-N 3.3Å; Q55-A57 PolarHBondContact O-N 3.42Å; Q55-P74 HydrophobicContact CB-CG 3.99Å; Q55-P74 WeakPolarHBondContact O-CD 3.44Å; Q55-P74 WeakPolarHBondContact O-CG 3.48Å; Q55-H200 WeakPolarHBondContact CG-NE2 3.26Å |
| 56 | V | 87.8 | Confident | 84.3 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -54.8 | -41.3 | 178.7 | 166.6 | 0 | 0 | 0 | 0 | 111.8 | Y51 K54 F79 I82 L87 | Y51-V56 HydrophobicContact CD1-CG2 4.33Å; Y51-V56 WeakPolarHBondContact O-CB 3.49Å; Y51-V56 WeakPolarHBondContact O-CG2 3.23Å; Y51-V56 PolarHBondContact O-N 2.84Å; Y51-V56 VanDerWaalsContact O-N 3.14Å; K54-V56 HydrophobicContact CB-CG2 4.36Å; K54-V56 PolarHBondContact O-N 3.25Å; K54-V56 VanDerWaalsContact O-N 3.15Å; V56-F79 HydrophobicContact CG1-CD2 4.39Å; V56-F79 HydrophobicContact CG1-CE2 4.26Å; V56-I82 HydrophobicContact CB-CD1 4.16Å; V56-I82 HydrophobicContact CG1-CD1 3.44Å; V56-I82 VanDerWaalsContact CG1-CD1 3.44Å; V56-I82 HydrophobicContact CG2-CD1 3.57Å; V56-L87 HydrophobicContact CG1-CD1 4.23Å |
| 57 | A | 89.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -152.5 | 147.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q55 I71 T72 L73 V90 F91 L94 | Q55-A57 PolarHBondContact O-N 3.42Å; A57-I71 HydrophobicContact CB-CG2 4.29Å; A57-T72 CarbonylContact C-O 3.56Å; A57-T72 VanDerWaalsContact CA-O 3.28Å; A57-T72 WeakPolarHBondContact CA-O 3.15Å; A57-L73 HydrophobicContact CB-CD1 3.76Å; A57-L73 HydrophobicContact CB-CG 4.08Å; A57-V90 HydrophobicContact CB-CG1 4.11Å; A57-F91 HydrophobicContact CB-CE1 4.26Å; A57-L94 HydrophobicContact CB-CD1 3.72Å |
| 58 | Y | 89.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -141.7 | 163.4 | 175 | 68.1 | -89.4 | 0 | 0 | 0 | 112 | T72 P74 E191 Y198 | Y58-T72 HydrophobicContact CD1-CG2 4.48Å; Y58-T72 HydrophobicContact CE1-CG2 3.69Å; Y58-T72 PolarHBondContact N-O 3.04Å; Y58-T72 PolarHBondContact O-N 2.89Å; Y58-P74 HydrophobicContact CD1-CG 4.07Å; Y58-P74 HydrophobicContact CE1-CB 4.13Å; Y58-P74 HydrophobicContact CE1-CG 3.76Å; Y58-E191 PolarHBondContact OH-OE1 3.24Å; Y58-Y198 HydrophobicContact CD2-CD1 4.19Å; Y58-Y198 AromaticContact CD2-CE1 3.36Å; Y58-Y198 HydrophobicContact CD2-CE1 3.36Å; Y58-Y198 AromaticContact CD2-CZ 3.62Å; Y58-Y198 AromaticContact CE2-CD1 3.85Å; Y58-Y198 HydrophobicContact CE2-CD1 3.85Å; Y58-Y198 AromaticContact CE2-CE1 3.45Å; Y58-Y198 HydrophobicContact CE2-CE1 3.45Å; Y58-Y198 VanDerWaalsContact CE2-CE1 3.45Å; Y58-Y198 HydrophobicContact CG-CE1 4.27Å |
| 59 | L | 87.6 | Confident | 84.3 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | trans | -115 | 117.8 | 176 | -179.6 | 141 | 0 | 0 | 0 | 107.9 | V69 L94 P98 Y198 | L59-V69 HydrophobicContact CD1-CG1 3.56Å; L59-V69 HydrophobicContact CG-CG1 4.48Å; L59-L94 HydrophobicContact CB-CD2 4.23Å; L59-P98 HydrophobicContact CD1-CG 3.97Å; L59-Y198 VanDerWaalsContact O-CE2 3.29Å; L59-Y198 WeakPolarHBondContact O-CE2 3.28Å; L59-Y198 PolarHBondContact O-OH 3.3Å | ||
| 60 | S | 83.3 | Confident | 84.7 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | trans | -84.2 | -14.6 | -178.3 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | G62 | S60-G62 VanDerWaalsContact C-N 3.34Å; S60-G62 PolarHBondContact OG-N 2.98Å | ||
| 61 | G | 79.6 | Confident | 85.1 | Confident | 19 Ų | 19 | 41.5 Ų | 41.5 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 92.1 | -14.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R63 D287 | G61-R63 PolarHBondContact O-NH1 2.62Å; G61-D287 WeakPolarHBondContact CA-OD2 3.17Å |
| 62 | G | 83.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -61.2 | 150.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S60 I70 | S60-G62 VanDerWaalsContact C-N 3.34Å; S60-G62 PolarHBondContact OG-N 2.98Å; G62-I70 WeakPolarHBondContact O-CB 3.3Å; G62-I70 WeakPolarHBondContact O-CG1 3.42Å; G62-I70 PolarHBondContact O-N 3.12Å; G62-I70 VanDerWaalsContact O-N 3.08Å | ||
| 63 | R | 85 | Confident | 85.5 | Confident | 47 Ų | 47 | 38.1 Ų | 38.1 | 18% | 0.177 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -126 | 148.6 | 178.1 | -59.6 | -58.1 | -164.7 | -93.4 | 2.4 | 111.9 | G61 S68 Q187 D287 | G61-R63 PolarHBondContact O-NH1 2.62Å; R63-S68 CarbonylContact C-O 3.58Å; R63-S68 VanDerWaalsContact CA-O 3.25Å; R63-S68 WeakPolarHBondContact CA-O 3.41Å; R63-Q187 WeakPolarHBondContact O-CB 3.16Å; R63-Q187 VanDerWaalsContact O-CG 3.23Å; R63-Q187 WeakPolarHBondContact O-CG 3.48Å; R63-D287 IonicContact CZ-OD1 2.65Å; R63-D287 IonicContact CZ-OD2 3.29Å; R63-D287 IonicContact NH1-OD1 2.83Å; R63-D287 IonicContact NH1-OD2 2.66Å; R63-D287 PolarHBondContact NH1-OD2 3.1Å; R63-D287 VanDerWaalsContact NH2-CG 3.34Å; R63-D287 IonicContact NH2-OD1 2.84Å; R63-D287 PolarHBondContact NH2-OD1 3.42Å; R63-D287 IonicContact NH2-OD2 3.14Å; R63-D287 PolarHBondContact NH2-OD2 2.84Å |
| 64 | G | 82.9 | Confident | 85.5 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | trans | -85.8 | 167.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112 | D66 S67 S68 | G64-D66 PolarHBondContact O-N 2.82Å; G64-S67 WeakPolarHBondContact O-CA 3.45Å; G64-S67 PolarHBondContact O-N 2.91Å; G64-S68 PolarHBondContact N-O 3.09Å; G64-S68 PolarHBondContact O-N 3.2Å | ||
| 65 | E | 76.9 | Confident | 85.3 | Confident | 159 Ų | 159 | 29.8 Ų | 29.8 | 74% | 0.743 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -42.5 | -45.8 | -177.7 | -60.1 | 178.1 | 166.8 | 0 | 0 | 113.5 | S67 | E65-S67 PolarHBondContact O-N 3.46Š|
| 66 | D | 74.1 | Confident | 85 | Confident | 101 Ų | 101 | 27.4 Ų | 27.4 | 54% | 0.54 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 19.5 | -179.9 | -117.5 | 36.7 | 0 | 0 | 0 | 114 | G64 S68 K106 | G64-D66 PolarHBondContact O-N 2.82Å; D66-S68 PolarHBondContact O-N 2.98Å; D66-S68 VanDerWaalsContact O-N 3.12Å; D66-K106 IonicContact OD2-NZ 3.52Å; D66-K106 PolarHBondContact OD2-NZ 2.73Å |
| 67 | S | 76.8 | Confident | 84.2 | Confident | 94 Ų | 94 | 32.8 Ų | 32.8 | 66% | 0.657 | 19% | 0.19 | S | C | * | . | trans | 52.5 | 24 | -166.6 | -60.4 | 0 | 0 | 0 | 0 | 114.3 | G64 E65 | G64-S67 WeakPolarHBondContact O-CA 3.45Å; G64-S67 PolarHBondContact O-N 2.91Å; E65-S67 PolarHBondContact O-N 3.46Å | ||
| 68 | S | 85.5 | Confident | 83.5 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 134.5 | -178.2 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | R63 G64 D66 K106 | R63-S68 CarbonylContact C-O 3.58Å; R63-S68 VanDerWaalsContact CA-O 3.25Å; R63-S68 WeakPolarHBondContact CA-O 3.41Å; G64-S68 PolarHBondContact N-O 3.09Å; G64-S68 PolarHBondContact O-N 3.2Å; D66-S68 PolarHBondContact O-N 2.98Å; D66-S68 VanDerWaalsContact O-N 3.12Å; S68-K106 CarbonylContact C-O 3.51Å; S68-K106 WeakPolarHBondContact CA-O 3.33Å; S68-K106 WeakPolarHBondContact OG-CB 3.37Å |
| 69 | V | 87.6 | Confident | 83.1 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.1 | -175.3 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | L59 P98 V105 K106 F107 I108 | L59-V69 HydrophobicContact CD1-CG1 3.56Å; L59-V69 HydrophobicContact CG-CG1 4.48Å; V69-P98 HydrophobicContact CB-CG 4.36Å; V69-P98 HydrophobicContact CG1-CG 3.76Å; V69-P98 HydrophobicContact CG2-CB 3.76Å; V69-P98 HydrophobicContact CG2-CG 3.84Å; V69-V105 HydrophobicContact CG2-CG1 4.07Å; V69-K106 PolarHBondContact N-O 3.3Å; V69-F107 HydrophobicContact CB-CD1 3.81Å; V69-F107 HydrophobicContact CB-CE1 3.94Å; V69-F107 HydrophobicContact CG1-CD1 4.16Å; V69-F107 HydrophobicContact CG1-CE1 4.15Å; V69-F107 HydrophobicContact CG2-CE1 4.36Å; V69-F107 CarbonylContact O-C 3.59Å; V69-F107 WeakPolarHBondContact O-CA 3.18Å; V69-I108 PolarHBondContact O-N 3.03Å |
| 70 | I | 89.8 | Confident | 82.7 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 129.2 | 176.6 | -57.8 | 170.3 | 0 | 0 | 0 | 110.6 | G62 I108 I110 I183 Q187 | G62-I70 WeakPolarHBondContact O-CB 3.3Å; G62-I70 WeakPolarHBondContact O-CG1 3.42Å; G62-I70 PolarHBondContact O-N 3.12Å; G62-I70 VanDerWaalsContact O-N 3.08Å; I70-I108 WeakPolarHBondContact CA-O 3.09Å; I70-I110 HydrophobicContact CG2-CD1 3.7Å; I70-I110 HydrophobicContact CG2-CG1 4.02Å; I70-I183 HydrophobicContact CD1-CD1 3.87Å; I70-I183 HydrophobicContact CD1-CG1 4.26Å; I70-I183 HydrophobicContact CD1-CG2 3.57Å; I70-I183 HydrophobicContact CG1-CD1 4.37Å; I70-Q187 HydrophobicContact CD1-CB 4.46Å |
| 71 | I | 91.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.4 | 167.9 | -64.1 | 173 | 0 | 0 | 0 | 108 | A57 L73 L94 T95 F107 I108 I109 I110 F132 | A57-I71 HydrophobicContact CB-CG2 4.29Å; I71-L73 HydrophobicContact CG2-CD1 4.03Å; I71-L94 HydrophobicContact CD1-CB 4.3Å; I71-L94 HydrophobicContact CG2-CD1 4.23Å; I71-T95 HydrophobicContact CD1-CG2 4.05Å; I71-F107 HydrophobicContact CD1-CD1 3.76Å; I71-F107 HydrophobicContact CD1-CE1 4.24Å; I71-F107 HydrophobicContact CG1-CD1 4.41Å; I71-I108 PolarHBondContact N-O 3.29Å; I71-I109 WeakPolarHBondContact O-CA 3.44Å; I71-I110 PolarHBondContact O-N 3.18Å; I71-F132 HydrophobicContact CD1-CE2 4.02Å; I71-F132 HydrophobicContact CD1-CZ 4.25Å |
| 72 | T | 91.9 | Very high | 82.9 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.5 | -179.4 | -58.9 | 0 | 0 | 0 | 0 | 110.5 | A57 Y58 P74 I110 F192 | A57-T72 CarbonylContact C-O 3.56Å; A57-T72 VanDerWaalsContact CA-O 3.28Å; A57-T72 WeakPolarHBondContact CA-O 3.15Å; Y58-T72 HydrophobicContact CD1-CG2 4.48Å; Y58-T72 HydrophobicContact CE1-CG2 3.69Å; Y58-T72 PolarHBondContact N-O 3.04Å; Y58-T72 PolarHBondContact O-N 2.89Å; T72-P74 WeakPolarHBondContact O-CD 3.43Å; T72-I110 HydrophobicContact CG2-CB 4.43Å; T72-F192 HydrophobicContact CG2-CE2 3.69Å; T72-F192 HydrophobicContact CG2-CZ 3.8Å |
| 73 | L | 91.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 94.4 | 164.9 | -79 | 61.5 | 0 | 0 | 0 | 106.6 | A57 I71 F79 F91 I109 I110 L111 D112 I128 | A57-L73 HydrophobicContact CB-CD1 3.76Å; A57-L73 HydrophobicContact CB-CG 4.08Å; I71-L73 HydrophobicContact CG2-CD1 4.03Å; L73-F79 HydrophobicContact CD2-CE2 3.79Å; L73-F79 HydrophobicContact CD2-CZ 3.7Å; L73-F79 HydrophobicContact CG-CE2 4.32Å; L73-F91 HydrophobicContact CD1-CE1 4.04Å; L73-F91 HydrophobicContact CD1-CZ 4.48Å; L73-F91 HydrophobicContact CD2-CZ 4.22Å; L73-I109 HydrophobicContact CD1-CG2 3.94Å; L73-I110 PolarHBondContact N-O 3.48Å; L73-L111 HydrophobicContact CB-CD1 3.91Å; L73-L111 HydrophobicContact CD2-CD1 3.9Å; L73-D112 PolarHBondContact O-N 3.42Å; L73-I128 HydrophobicContact CD2-CD1 3.8Å; L73-I128 HydrophobicContact CD2-CG1 4.17Å |
| 74 | P | 88 | Confident | 83.2 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | trans | -67.9 | 175.4 | 177.3 | 33 | -36.9 | 0 | 0 | 0 | 110.5 | Q55 Y58 T72 C76 R113 | Q55-P74 HydrophobicContact CB-CG 3.99Å; Q55-P74 WeakPolarHBondContact O-CD 3.44Å; Q55-P74 WeakPolarHBondContact O-CG 3.48Å; Y58-P74 HydrophobicContact CD1-CG 4.07Å; Y58-P74 HydrophobicContact CE1-CB 4.13Å; Y58-P74 HydrophobicContact CE1-CG 3.76Å; T72-P74 WeakPolarHBondContact O-CD 3.43Å; P74-C76 PolarHBondContact O-N 2.96Å; P74-R113 PolarHBondContact O-NH1 3.18Å | ||
| 75 | E | 81.6 | Confident | 83.3 | Confident | 86 Ų | 86 | 55.2 Ų | 55.2 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | trans | -61.3 | 121.3 | 178.7 | -164 | 178.2 | 107 | 0 | 0 | 111.4 | D112 L115 | E75-D112 WeakPolarHBondContact CA-O 3.46Å; E75-L115 WeakPolarHBondContact OE1-CB 3.48Å; E75-L115 WeakPolarHBondContact OE1-CD1 3.31Å; E75-L115 VanDerWaalsContact OE2-CB 3.27Å; E75-L115 WeakPolarHBondContact OE2-CB 3.35Å; E75-L115 VanDerWaalsContact OE2-CG 3.27Å; E75-L115 WeakPolarHBondContact OE2-CG 3.41Å; E75-L115 PolarHBondContact OE2-N 3.39Å | ||
| 76 | C | 79.6 | Confident | 83.9 | Confident | 24 Ų | 24 | 48.2 Ų | 48.2 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | trans | -142.8 | 98.6 | -175.5 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | P74 A78 F79 | P74-C76 PolarHBondContact O-N 2.96Å; C76-A78 PolarHBondContact O-N 3.16Å; C76-F79 HydrophobicContact CB-CB 4.19Å; C76-F79 WeakPolarHBondContact O-CB 3.44Å; C76-F79 PolarHBondContact O-N 2.89Å | ||
| 77 | S | 71.3 | Confident | 84.6 | Confident | 118 Ų | 118 | 43.4 Ų | 43.4 | 83% | 0.825 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.1 | -175.4 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 78 | A | 75.3 | Confident | 85.1 | Confident | 46 Ų | 46 | 40.3 Ų | 40.3 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 10.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | C76 S80 D81 | C76-A78 PolarHBondContact O-N 3.16Å; A78-S80 PolarHBondContact O-N 3.5Å; A78-D81 PolarHBondContact O-N 3.34Å |
| 79 | F | 81.2 | Confident | 85.2 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -27.3 | -175.8 | -171.7 | -91.3 | 0 | 0 | 0 | 113.4 | V56 L73 C76 D81 I82 L87 R113 A124 R127 | V56-F79 HydrophobicContact CG1-CD2 4.39Å; V56-F79 HydrophobicContact CG1-CE2 4.26Å; L73-F79 HydrophobicContact CD2-CE2 3.79Å; L73-F79 HydrophobicContact CD2-CZ 3.7Å; L73-F79 HydrophobicContact CG-CE2 4.32Å; C76-F79 HydrophobicContact CB-CB 4.19Å; C76-F79 WeakPolarHBondContact O-CB 3.44Å; C76-F79 PolarHBondContact O-N 2.89Å; F79-D81 VanDerWaalsContact C-N 3.28Å; F79-D81 PolarHBondContact O-N 3.38Å; F79-I82 HydrophobicContact CD2-CD1 4.11Å; F79-L87 HydrophobicContact CE1-CD2 4.4Å; F79-L87 HydrophobicContact CE2-CD1 4.07Å; F79-L87 HydrophobicContact CZ-CD1 4.03Å; F79-L87 HydrophobicContact CZ-CD2 4.01Å; F79-R113 VanDerWaalsContact CD2-NH2 3.26Å; F79-A124 HydrophobicContact CD1-CB 4.08Å; F79-A124 HydrophobicContact CE1-CB 3.82Å; F79-R127 PolarHBondContact O-NH1 3.48Å |
| 80 | S | 78.3 | Confident | 85.3 | Confident | 62 Ų | 62 | 44 Ų | 44 | 43% | 0.434 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -32.9 | 172.2 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | A78 R127 | A78-S80 PolarHBondContact O-N 3.5Å; S80-R127 PolarHBondContact O-NH1 3.42Å |
| 81 | D | 82.6 | Confident | 85.3 | Confident | 125 Ų | 125 | 44 Ų | 44 | 67% | 0.668 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -10.4 | -164.9 | -50.5 | -20.2 | 0 | 0 | 0 | 112.3 | A78 F79 | A78-D81 PolarHBondContact O-N 3.34Å; F79-D81 VanDerWaalsContact C-N 3.28Å; F79-D81 PolarHBondContact O-N 3.38Å |
| 82 | I | 86.3 | Confident | 85 | Confident | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -64.8 | 134.8 | 175.8 | -55.2 | 179 | 0 | 0 | 0 | 108.9 | Y51 V56 F79 A86 L87 R127 | Y51-I82 HydrophobicContact CD1-CG2 4.16Å; Y51-I82 HydrophobicContact CE1-CG2 3.94Å; V56-I82 HydrophobicContact CB-CD1 4.16Å; V56-I82 HydrophobicContact CG1-CD1 3.44Å; V56-I82 VanDerWaalsContact CG1-CD1 3.44Å; V56-I82 HydrophobicContact CG2-CD1 3.57Å; F79-I82 HydrophobicContact CD2-CD1 4.11Å; I82-A86 HydrophobicContact CG2-CB 4.28Å; I82-L87 HydrophobicContact CG2-CB 4.36Å; I82-R127 PolarHBondContact O-NH1 2.84Å; I82-R127 PolarHBondContact O-NH2 2.98Å |
| 83 | P | 89.3 | Confident | 84.8 | Confident | 68 Ų | 68 | 45.9 Ų | 45.9 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | trans | -60.2 | 143.3 | 172.4 | -23.9 | 34.2 | 0 | 0 | 0 | 112.2 | E85 A86 L87 | P83-E85 PolarHBondContact O-N 3.29Å; P83-A86 HydrophobicContact CB-CB 4.01Å; P83-A86 HydrophobicContact CG-CB 4.3Å; P83-A86 PolarHBondContact O-N 3.08Å; P83-A86 VanDerWaalsContact O-N 3.16Å; P83-L87 PolarHBondContact O-N 3.01Å | ||
| 84 | E | 84.1 | Confident | 84.5 | Confident | 107 Ų | 107 | 45.9 Ų | 45.9 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 179.5 | -170.1 | 168.3 | -160.6 | 0 | 0 | 111.9 | A86 L87 A88 A130 S131 | E84-A86 VanDerWaalsContact C-N 3.27Å; E84-A86 PolarHBondContact O-N 3.06Å; E84-L87 PolarHBondContact O-N 3.1Å; E84-L87 VanDerWaalsContact O-N 3.17Å; E84-A88 WeakPolarHBondContact O-CB 3.26Å; E84-A88 PolarHBondContact O-N 3.09Å; E84-A130 WeakPolarHBondContact OE1-CB 3.37Å; E84-S131 WeakPolarHBondContact CG-OG 3.37Å |
| 85 | E | 86.7 | Confident | 84.3 | Confident | 130 Ų | 130 | 46.1 Ų | 46.1 | 61% | 0.607 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -57.8 | -37.5 | 174 | -166 | -159.8 | 137.3 | 0 | 0 | 112.7 | P83 K89 | P83-E85 PolarHBondContact O-N 3.29Å; E85-K89 WeakPolarHBondContact O-CB 3.36Å; E85-K89 VanDerWaalsContact O-CG 3.31Å; E85-K89 WeakPolarHBondContact O-CG 3.49Å; E85-K89 PolarHBondContact O-N 3.01Å; E85-K89 WeakPolarHBondContact OE1-CE 3.34Å; E85-K89 IonicContact OE1-NZ 2.89Å; E85-K89 PolarHBondContact OE1-NZ 3.1Å |
| 86 | A | 88.3 | Confident | 84.2 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 10% | 0.099 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.4 | -40 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y51 I82 P83 E84 K89 V90 | Y51-A86 HydrophobicContact CD2-CB 4.46Å; Y51-A86 HydrophobicContact CE1-CB 4.24Å; Y51-A86 HydrophobicContact CE2-CB 3.76Å; I82-A86 HydrophobicContact CG2-CB 4.28Å; P83-A86 HydrophobicContact CB-CB 4.01Å; P83-A86 HydrophobicContact CG-CB 4.3Å; P83-A86 PolarHBondContact O-N 3.08Å; P83-A86 VanDerWaalsContact O-N 3.16Å; E84-A86 VanDerWaalsContact C-N 3.27Å; E84-A86 PolarHBondContact O-N 3.06Å; A86-K89 PolarHBondContact O-N 3.46Å; A86-V90 WeakPolarHBondContact O-CG2 3.24Å; A86-V90 PolarHBondContact O-N 3.36Å |
| 87 | L | 88.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -42 | 174.8 | -176.5 | 63.8 | 0 | 0 | 0 | 111.5 | V56 F79 I82 P83 E84 K89 V90 F91 R127 | V56-L87 HydrophobicContact CG1-CD1 4.23Å; F79-L87 HydrophobicContact CE1-CD2 4.4Å; F79-L87 HydrophobicContact CE2-CD1 4.07Å; F79-L87 HydrophobicContact CZ-CD1 4.03Å; F79-L87 HydrophobicContact CZ-CD2 4.01Å; I82-L87 HydrophobicContact CG2-CB 4.36Å; P83-L87 PolarHBondContact O-N 3.01Å; E84-L87 PolarHBondContact O-N 3.1Å; E84-L87 VanDerWaalsContact O-N 3.17Å; L87-K89 PolarHBondContact O-N 3.3Å; L87-V90 PolarHBondContact O-N 3.09Å; L87-F91 HydrophobicContact CD1-CD2 4.26Å; L87-F91 HydrophobicContact CD1-CE1 4.46Å; L87-F91 HydrophobicContact CD1-CE2 3.68Å; L87-F91 HydrophobicContact CD1-CZ 3.78Å; L87-F91 HydrophobicContact CD2-CE2 4Å; L87-F91 HydrophobicContact CG-CD2 4.01Å; L87-F91 HydrophobicContact CG-CE2 3.57Å; L87-F91 HydrophobicContact CG-CZ 4.2Å; L87-F91 WeakPolarHBondContact O-CD2 3.33Å; L87-F91 PolarHBondContact O-N 3.47Å; L87-R127 HydrophobicContact CD2-CB 3.99Å |
| 88 | A | 87.9 | Confident | 84.1 | Confident | 28 Ų | 28 | 39.9 Ų | 39.9 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -40.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E84 F91 T92 | E84-A88 WeakPolarHBondContact O-CB 3.26Å; E84-A88 PolarHBondContact O-N 3.09Å; A88-F91 PolarHBondContact O-N 2.85Å; A88-T92 VanDerWaalsContact O-CB 3.28Å; A88-T92 WeakPolarHBondContact O-CB 3.28Å; A88-T92 PolarHBondContact O-N 2.87Å; A88-T92 PolarHBondContact O-OG1 3.42Å |
| 89 | K | 88.6 | Confident | 83.5 | Confident | 82 Ų | 82 | 40.6 Ų | 40.6 | 36% | 0.357 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.3 | -43.3 | 172.4 | -77.7 | 169.4 | 169.8 | 172.4 | 0 | 112.4 | L43 V48 E85 A86 L87 T92 Y93 | L43-K89 HydrophobicContact CD1-CB 4.3Å; L43-K89 HydrophobicContact CD1-CG 4.2Å; L43-K89 HydrophobicContact CD2-CB 4.45Å; L43-K89 HydrophobicContact CD2-CD 4.38Å; L43-K89 HydrophobicContact CD2-CG 4.01Å; V48-K89 HydrophobicContact CG1-CB 4.11Å; E85-K89 WeakPolarHBondContact O-CB 3.36Å; E85-K89 VanDerWaalsContact O-CG 3.31Å; E85-K89 WeakPolarHBondContact O-CG 3.49Å; E85-K89 PolarHBondContact O-N 3.01Å; E85-K89 WeakPolarHBondContact OE1-CE 3.34Å; E85-K89 IonicContact OE1-NZ 2.89Å; E85-K89 PolarHBondContact OE1-NZ 3.1Å; A86-K89 PolarHBondContact O-N 3.46Å; L87-K89 PolarHBondContact O-N 3.3Å; K89-T92 PolarHBondContact O-N 3.34Å; K89-Y93 WeakPolarHBondContact O-CB 3.46Å; K89-Y93 PolarHBondContact O-N 3Å |
| 90 | V | 89.1 | Confident | 82.1 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.3 | -47.2 | 174.9 | 167.6 | 0 | 0 | 0 | 0 | 111.5 | V48 Y51 I52 A57 A86 L87 Y93 L94 | V48-V90 HydrophobicContact CB-CG2 4.13Å; V48-V90 HydrophobicContact CG1-CG2 4.17Å; Y51-V90 HydrophobicContact CG-CG2 4.35Å; I52-V90 HydrophobicContact CD1-CG1 4.01Å; A57-V90 HydrophobicContact CB-CG1 4.11Å; A86-V90 WeakPolarHBondContact O-CG2 3.24Å; A86-V90 PolarHBondContact O-N 3.36Å; L87-V90 PolarHBondContact O-N 3.09Å; V90-Y93 PolarHBondContact O-N 2.87Å; V90-L94 HydrophobicContact CG1-CD1 4.01Å; V90-L94 WeakPolarHBondContact O-CG 3.26Å; V90-L94 PolarHBondContact O-N 3.06Å |
| 91 | F | 88.4 | Confident | 80.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.2 | -38.3 | 177 | -70.1 | -41.4 | 0 | 0 | 0 | 112.9 | A57 L73 L87 A88 Y93 L94 T95 I128 F132 | A57-F91 HydrophobicContact CB-CE1 4.26Å; L73-F91 HydrophobicContact CD1-CE1 4.04Å; L73-F91 HydrophobicContact CD1-CZ 4.48Å; L73-F91 HydrophobicContact CD2-CZ 4.22Å; L87-F91 HydrophobicContact CD1-CD2 4.26Å; L87-F91 HydrophobicContact CD1-CE1 4.46Å; L87-F91 HydrophobicContact CD1-CE2 3.68Å; L87-F91 HydrophobicContact CD1-CZ 3.78Å; L87-F91 HydrophobicContact CD2-CE2 4Å; L87-F91 HydrophobicContact CG-CD2 4.01Å; L87-F91 HydrophobicContact CG-CE2 3.57Å; L87-F91 HydrophobicContact CG-CZ 4.2Å; L87-F91 WeakPolarHBondContact O-CD2 3.33Å; L87-F91 PolarHBondContact O-N 3.47Å; A88-F91 PolarHBondContact O-N 2.85Å; F91-Y93 VanDerWaalsContact C-N 3.34Å; F91-L94 PolarHBondContact O-N 2.99Å; F91-T95 WeakPolarHBondContact O-CB 3.43Å; F91-T95 VanDerWaalsContact O-CG2 3.28Å; F91-T95 WeakPolarHBondContact O-CG2 3.2Å; F91-T95 PolarHBondContact O-N 2.98Å; F91-T95 PolarHBondContact O-OG1 3.02Å; F91-I128 HydrophobicContact CE2-CG1 4.35Å; F91-I128 HydrophobicContact CZ-CG1 4.06Å; F91-F132 HydrophobicContact CB-CD2 4.06Å; F91-F132 AromaticContact CD1-CD2 3.92Å; F91-F132 HydrophobicContact CD1-CD2 3.92Å; F91-F132 HydrophobicContact CD1-CE2 4.2Å; F91-F132 HydrophobicContact CD2-CB 4.48Å; F91-F132 HydrophobicContact CD2-CD2 4.14Å; F91-F132 HydrophobicContact CE1-CD2 4.38Å; F91-F132 AromaticContact CG-CD2 3.8Å; F91-F132 HydrophobicContact CG-CD2 3.8Å; F91-F132 HydrophobicContact CG-CE2 4.42Å |
| 92 | T | 87.1 | Confident | 79.1 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 26% | 0.258 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 176.5 | -56.1 | 0 | 0 | 0 | 0 | 111 | L43 A88 K89 T95 L96 | L43-T92 HydrophobicContact CD1-CG2 3.75Å; A88-T92 VanDerWaalsContact O-CB 3.28Å; A88-T92 WeakPolarHBondContact O-CB 3.28Å; A88-T92 PolarHBondContact O-N 2.87Å; A88-T92 PolarHBondContact O-OG1 3.42Å; K89-T92 PolarHBondContact O-N 3.34Å; T92-T95 PolarHBondContact O-OG1 2.84Å; T92-L96 HydrophobicContact CG2-CD1 3.82Å; T92-L96 WeakPolarHBondContact O-CB 3.5Å; T92-L96 VanDerWaalsContact O-CD1 3.28Å; T92-L96 WeakPolarHBondContact O-CD1 3.02Å; T92-L96 WeakPolarHBondContact O-CG 3.32Å; T92-L96 PolarHBondContact O-N 3.42Å |
| 93 | Y | 86.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.1 | -57 | 171.2 | -178.6 | -109.4 | 0 | 0 | 0 | 111.8 | V41 L43 L45 V48 I52 K89 V90 F91 T95 L96 I97 W203 R207 E211 | V41-Y93 HydrophobicContact CG1-CD2 4.2Å; V41-Y93 HydrophobicContact CG2-CD2 4.48Å; V41-Y93 HydrophobicContact CG2-CE2 4.21Å; L43-Y93 VanDerWaalsContact O-CD2 3.23Å; L43-Y93 WeakPolarHBondContact O-CD2 3.31Å; L45-Y93 HydrophobicContact CB-CE2 4.47Å; L45-Y93 HydrophobicContact CD1-CE1 3.88Å; V48-Y93 HydrophobicContact CG2-CD1 3.65Å; V48-Y93 HydrophobicContact CG2-CD2 4.28Å; V48-Y93 HydrophobicContact CG2-CE1 4.16Å; V48-Y93 HydrophobicContact CG2-CG 3.72Å; I52-Y93 HydrophobicContact CD1-CD1 4.45Å; K89-Y93 WeakPolarHBondContact O-CB 3.46Å; K89-Y93 PolarHBondContact O-N 3Å; V90-Y93 PolarHBondContact O-N 2.87Å; F91-Y93 VanDerWaalsContact C-N 3.34Å; Y93-T95 PolarHBondContact O-N 3.12Å; Y93-L96 PolarHBondContact O-N 3.04Å; Y93-L96 VanDerWaalsContact O-N 3.07Å; Y93-I97 HydrophobicContact CD1-CD1 4.2Å; Y93-I97 HydrophobicContact CE1-CD1 3.71Å; Y93-W203 HydrophobicContact CE1-CH2 4.25Å; Y93-R207 VanDerWaalsContact OH-CG 3.27Å; Y93-R207 WeakPolarHBondContact OH-CG 3.32Å; Y93-R207 PolarHBondContact OH-NE 3.25Å; Y93-E211 WeakPolarHBondContact CE2-OE1 3.13Å; Y93-E211 PolarHBondContact OH-OE1 2.66Å |
| 94 | L | 86.4 | Confident | 76 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.6 | -36 | -174.7 | -68.3 | 175.1 | 0 | 0 | 0 | 113.4 | I52 A57 L59 I71 V90 F91 L96 I97 P98 W203 | I52-L94 HydrophobicContact CD1-CD1 4.31Å; I52-L94 HydrophobicContact CD1-CD2 4.1Å; I52-L94 HydrophobicContact CD1-CG 4.24Å; A57-L94 HydrophobicContact CB-CD1 3.72Å; L59-L94 HydrophobicContact CB-CD2 4.23Å; I71-L94 HydrophobicContact CD1-CB 4.3Å; I71-L94 HydrophobicContact CG2-CD1 4.23Å; V90-L94 HydrophobicContact CG1-CD1 4.01Å; V90-L94 WeakPolarHBondContact O-CG 3.26Å; V90-L94 PolarHBondContact O-N 3.06Å; F91-L94 PolarHBondContact O-N 2.99Å; L94-L96 VanDerWaalsContact C-N 3.27Å; L94-L96 PolarHBondContact O-N 3.37Å; L94-I97 HydrophobicContact CD2-CD1 4.21Å; L94-P98 WeakPolarHBondContact O-CD 3.28Å; L94-W203 HydrophobicContact CD2-CH2 4.16Å |
| 95 | T | 84.2 | Confident | 75.7 | Confident | 18 Ų | 18 | 53 Ų | 53 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74 | -14.3 | 176.7 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | I71 F91 T92 Y93 F107 F132 P133 | I71-T95 HydrophobicContact CD1-CG2 4.05Å; F91-T95 WeakPolarHBondContact O-CB 3.43Å; F91-T95 VanDerWaalsContact O-CG2 3.28Å; F91-T95 WeakPolarHBondContact O-CG2 3.2Å; F91-T95 PolarHBondContact O-N 2.98Å; F91-T95 PolarHBondContact O-OG1 3.02Å; T92-T95 PolarHBondContact O-OG1 2.84Å; Y93-T95 PolarHBondContact O-N 3.12Å; T95-F107 HydrophobicContact CG2-CD1 4.11Å; T95-F107 HydrophobicContact CG2-CD2 4.43Å; T95-F107 HydrophobicContact CG2-CE1 3.76Å; T95-F107 HydrophobicContact CG2-CE2 4.1Å; T95-F107 HydrophobicContact CG2-CG 4.43Å; T95-F107 HydrophobicContact CG2-CZ 3.76Å; T95-F132 HydrophobicContact CG2-CE1 4.21Å; T95-F132 HydrophobicContact CG2-CE2 3.74Å; T95-F132 HydrophobicContact CG2-CZ 3.48Å; T95-F132 VanDerWaalsContact CG2-CZ 3.48Å; T95-P133 HydrophobicContact CG2-CG 4.45Å; T95-P133 WeakPolarHBondContact OG1-CG 3.38Å |
| 96 | L | 79.6 | Confident | 75.6 | Confident | 71 Ų | 71 | 50.1 Ų | 50.1 | 37% | 0.372 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 2.4 | 177.6 | -70.3 | 174.1 | 0 | 0 | 0 | 114.2 | V41 T92 Y93 L94 R99 | V41-L96 HydrophobicContact CG1-CB 3.78Å; V41-L96 HydrophobicContact CG1-CD1 3.73Å; V41-L96 HydrophobicContact CG1-CG 4.43Å; T92-L96 HydrophobicContact CG2-CD1 3.82Å; T92-L96 WeakPolarHBondContact O-CB 3.5Å; T92-L96 VanDerWaalsContact O-CD1 3.28Å; T92-L96 WeakPolarHBondContact O-CD1 3.02Å; T92-L96 WeakPolarHBondContact O-CG 3.32Å; T92-L96 PolarHBondContact O-N 3.42Å; Y93-L96 PolarHBondContact O-N 3.04Å; Y93-L96 VanDerWaalsContact O-N 3.07Å; L94-L96 VanDerWaalsContact C-N 3.27Å; L94-L96 PolarHBondContact O-N 3.37Å; L96-R99 WeakPolarHBondContact O-CD 3Å; L96-R99 WeakPolarHBondContact O-CG 3.25Å; L96-R99 PolarHBondContact O-NE 3.36Å |
| 97 | I | 77.2 | Confident | 75.6 | Confident | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -80.9 | -44.3 | 173.8 | -59.7 | 174.8 | 0 | 0 | 0 | 112.6 | Y93 L94 R99 W203 | Y93-I97 HydrophobicContact CD1-CD1 4.2Å; Y93-I97 HydrophobicContact CE1-CD1 3.71Å; L94-I97 HydrophobicContact CD2-CD1 4.21Å; I97-R99 WeakPolarHBondContact O-CD 3.47Å; I97-R99 VanDerWaalsContact O-CG 3.26Å; I97-R99 WeakPolarHBondContact O-CG 3.48Å; I97-R99 PolarHBondContact O-N 3.21Å; I97-W203 HydrophobicContact CD1-CH2 3.78Å; I97-W203 HydrophobicContact CD1-CZ2 3.66Å |
| 98 | P | 71.5 | Confident | 75.7 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 8% | 0.078 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -73.9 | 90 | 179.7 | -12 | 28.2 | 0 | 0 | 0 | 111 | L59 V69 L94 T100 F107 | L59-P98 HydrophobicContact CD1-CG 3.97Å; V69-P98 HydrophobicContact CB-CG 4.36Å; V69-P98 HydrophobicContact CG1-CG 3.76Å; V69-P98 HydrophobicContact CG2-CB 3.76Å; V69-P98 HydrophobicContact CG2-CG 3.84Å; L94-P98 WeakPolarHBondContact O-CD 3.28Å; P98-T100 PolarHBondContact O-N 3.09Å; P98-F107 HydrophobicContact CG-CE1 4.35Å |
| 99 | R | 62 | Low | 75.9 | Confident | 62 Ų | 62 | 49 Ų | 49 | 23% | 0.234 | 26% | 0.255 | C | S | . | . | trans | -94.3 | 25.1 | -160.3 | -81.1 | 155.5 | 163.3 | -165.3 | -23.7 | 116.2 | Q38 V39 L96 I97 R101 L290 | Q38-R99 WeakPolarHBondContact O-CD 3.33Å; Q38-R99 PolarHBondContact O-NE 2.93Å; Q38-R99 PolarHBondContact O-NH1 3.25Å; Q38-R99 PolarHBondContact O-NH2 3.4Å; V39-R99 VanDerWaalsContact C-NH2 3.29Å; V39-R99 VanDerWaalsContact O-CZ 3.24Å; V39-R99 PolarHBondContact O-NH1 3.28Å; V39-R99 PolarHBondContact O-NH2 3.32Å; L96-R99 WeakPolarHBondContact O-CD 3Å; L96-R99 WeakPolarHBondContact O-CG 3.25Å; L96-R99 PolarHBondContact O-NE 3.36Å; I97-R99 WeakPolarHBondContact O-CD 3.47Å; I97-R99 VanDerWaalsContact O-CG 3.26Å; I97-R99 WeakPolarHBondContact O-CG 3.48Å; I97-R99 PolarHBondContact O-N 3.21Å; R99-R101 PolarHBondContact O-N 3.21Å; R99-L290 HydrophobicContact CB-CD2 4.43Å | ||
| 100 | T | 50.9 | Low | 76.1 | Confident | 79 Ų | 79 | 45.1 Ų | 45.1 | 49% | 0.485 | 24% | 0.238 | S | C | . | . | trans | -70.8 | 119.3 | 169.9 | 38.5 | 0 | 0 | 0 | 0 | 110.4 | P98 Q102 | P98-T100 PolarHBondContact O-N 3.09Å; T100-Q102 PolarHBondContact O-N 3.28Å | ||
| 101 | R | 45.1 | Very low | 76.2 | Confident | 193 Ų | 193 | 45.1 Ų | 45.1 | 73% | 0.728 | 24% | 0.238 | S | C | * | . | trans | -71.9 | 69.7 | -179.9 | -70.3 | -179.6 | 168.9 | -163.8 | -3.2 | 112.2 | Q38 R99 | Q38-R101 VanDerWaalsContact NE2-NH2 3.18Å; R99-R101 PolarHBondContact O-N 3.21Å | ||
| 102 | Q | 52.8 | Low | 76.2 | Confident | 147 Ų | 147 | 45.4 Ų | 45.4 | 69% | 0.687 | 24% | 0.239 | S | C | * | . | trans | -122.8 | 119.8 | 170.4 | -67.6 | -167 | 5 | 0 | 0 | 110.7 | T100 G104 V105 | T100-Q102 PolarHBondContact O-N 3.28Å; Q102-G104 PolarHBondContact O-N 2.91Å; Q102-V105 PolarHBondContact O-N 2.65Å | ||
| 103 | P | 49.2 | Very low | 76.1 | Confident | 145 Ų | 145 | 43.4 Ų | 43.4 | 94% | 0.942 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 102.8 | 168 | -17.6 | 31.2 | 0 | 0 | 0 | 109.1 | ||
| 104 | G | 62.8 | Low | 76 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 43% | 0.433 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 137.3 | -0.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q102 K106 | Q102-G104 PolarHBondContact O-N 2.91Å; G104-K106 PolarHBondContact O-N 3.09Å; G104-K106 VanDerWaalsContact O-N 3.08Å |
| 105 | V | 76.8 | Confident | 75.7 | Confident | 36 Ų | 36 | 54.3 Ų | 54.3 | 22% | 0.218 | 28% | 0.279 | C | S | . | . | trans | -50 | 119.5 | 175.3 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | V69 Q102 F107 | V69-V105 HydrophobicContact CG2-CG1 4.07Å; Q102-V105 PolarHBondContact O-N 2.65Å; V105-F107 HydrophobicContact CG1-CE2 4.14Å; V105-F107 HydrophobicContact CG1-CZ 4.04Å | ||
| 106 | K | 85.2 | Confident | 75.4 | Confident | 69 Ų | 69 | 54.7 Ų | 54.7 | 30% | 0.3 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 145.5 | -178 | -76.7 | 174.9 | 168 | -166.6 | 0 | 110.7 | D66 S68 V69 G104 N135 H137 | D66-K106 IonicContact OD2-NZ 3.52Å; D66-K106 PolarHBondContact OD2-NZ 2.73Å; S68-K106 CarbonylContact C-O 3.51Å; S68-K106 WeakPolarHBondContact CA-O 3.33Å; S68-K106 WeakPolarHBondContact OG-CB 3.37Å; V69-K106 PolarHBondContact N-O 3.3Å; G104-K106 PolarHBondContact O-N 3.09Å; G104-K106 VanDerWaalsContact O-N 3.08Å; K106-N135 WeakPolarHBondContact CA-O 3.49Å; K106-H137 HydrophobicContact CB-CB 3.82Å; K106-H137 HydrophobicContact CD-CB 4.14Å; K106-H137 HydrophobicContact CG-CB 3.99Å |
| 107 | F | 88.2 | Confident | 75.4 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 4% | 0.044 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 138.9 | 175.1 | -64.3 | -87.6 | 0 | 0 | 0 | 111.9 | V69 I71 T95 P98 V105 F132 N135 L136 H137 L138 | V69-F107 HydrophobicContact CB-CD1 3.81Å; V69-F107 HydrophobicContact CB-CE1 3.94Å; V69-F107 HydrophobicContact CG1-CD1 4.16Å; V69-F107 HydrophobicContact CG1-CE1 4.15Å; V69-F107 HydrophobicContact CG2-CE1 4.36Å; V69-F107 CarbonylContact O-C 3.59Å; V69-F107 WeakPolarHBondContact O-CA 3.18Å; I71-F107 HydrophobicContact CD1-CD1 3.76Å; I71-F107 HydrophobicContact CD1-CE1 4.24Å; I71-F107 HydrophobicContact CG1-CD1 4.41Å; T95-F107 HydrophobicContact CG2-CD1 4.11Å; T95-F107 HydrophobicContact CG2-CD2 4.43Å; T95-F107 HydrophobicContact CG2-CE1 3.76Å; T95-F107 HydrophobicContact CG2-CE2 4.1Å; T95-F107 HydrophobicContact CG2-CG 4.43Å; T95-F107 HydrophobicContact CG2-CZ 3.76Å; P98-F107 HydrophobicContact CG-CE1 4.35Å; V105-F107 HydrophobicContact CG1-CE2 4.14Å; V105-F107 HydrophobicContact CG1-CZ 4.04Å; F107-F132 HydrophobicContact CB-CE1 4.02Å; F107-F132 HydrophobicContact CB-CZ 3.64Å; F107-F132 HydrophobicContact CD1-CZ 4.2Å; F107-F132 HydrophobicContact CD2-CE1 4.04Å; F107-F132 HydrophobicContact CD2-CZ 4Å; F107-F132 HydrophobicContact CG-CE1 4.11Å; F107-F132 AromaticContact CG-CZ 3.67Å; F107-F132 HydrophobicContact CG-CZ 3.67Å; F107-N135 PolarHBondContact N-O 2.91Å; F107-L136 HydrophobicContact CB-CD1 4.46Å; F107-H137 WeakPolarHBondContact O-CB 3.32Å; F107-H137 PolarHBondContact O-N 3.16Å; F107-L138 PolarHBondContact O-N 3.48Å |
| 108 | I | 90.7 | Very high | 75.4 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.036 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.8 | 169.2 | -60.8 | 174.9 | 0 | 0 | 0 | 107.4 | V69 I70 I71 L138 L140 I183 | V69-I108 PolarHBondContact O-N 3.03Å; I70-I108 WeakPolarHBondContact CA-O 3.09Å; I71-I108 PolarHBondContact N-O 3.29Å; I108-L138 WeakPolarHBondContact CA-O 3.38Å; I108-L138 HydrophobicContact CG1-CB 4.3Å; I108-L138 HydrophobicContact CG2-CB 4.38Å; I108-L140 HydrophobicContact CG2-CD1 3.87Å; I108-L140 HydrophobicContact CG2-CG 4.32Å; I108-I183 HydrophobicContact CG2-CD1 4.35Å |
| 109 | I | 91.6 | Very high | 75.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.4 | 173.8 | -69 | 173.5 | 0 | 0 | 0 | 109.8 | I71 L73 L111 I128 F132 L136 L138 V139 L140 | I71-I109 WeakPolarHBondContact O-CA 3.44Å; L73-I109 HydrophobicContact CD1-CG2 3.94Å; I109-L111 HydrophobicContact CG2-CB 4.41Å; I109-I128 HydrophobicContact CD1-CG2 3.58Å; I109-I128 HydrophobicContact CG2-CD1 4.45Å; I109-F132 HydrophobicContact CD1-CD2 3.93Å; I109-F132 HydrophobicContact CD1-CE2 3.91Å; I109-L136 HydrophobicContact CB-CD1 4.34Å; I109-L136 HydrophobicContact CD1-CD1 3.6Å; I109-L136 HydrophobicContact CD1-CD2 4.03Å; I109-L136 HydrophobicContact CG1-CD1 3.72Å; I109-L138 PolarHBondContact N-O 3.28Å; I109-V139 HydrophobicContact CB-CG1 4.27Å; I109-V139 HydrophobicContact CB-CG2 4.31Å; I109-V139 HydrophobicContact CG2-CG1 4.17Å; I109-V139 CarbonylContact O-C 3.31Å; I109-V139 WeakPolarHBondContact O-CA 3.32Å; I109-L140 PolarHBondContact O-N 2.89Å |
| 110 | I | 92.3 | Very high | 76.6 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 116.6 | 163.6 | -59.6 | 175.6 | 0 | 0 | 0 | 107.1 | I70 I71 T72 L73 L179 I183 L188 F192 | I70-I110 HydrophobicContact CG2-CD1 3.7Å; I70-I110 HydrophobicContact CG2-CG1 4.02Å; I71-I110 PolarHBondContact O-N 3.18Å; T72-I110 HydrophobicContact CG2-CB 4.43Å; L73-I110 PolarHBondContact N-O 3.48Å; I110-L179 HydrophobicContact CG1-CD2 4.48Å; I110-I183 HydrophobicContact CD1-CD1 3.89Å; I110-I183 HydrophobicContact CG1-CD1 4.2Å; I110-L188 HydrophobicContact CD1-CD2 3.57Å; I110-F192 HydrophobicContact CG2-CE1 4.34Å |
| 111 | L | 90.8 | Very high | 78.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 103.2 | 178.3 | 177 | 60.1 | 0 | 0 | 0 | 109.5 | L73 I109 R113 A124 L125 I128 V139 L140 V141 L142 | L73-L111 HydrophobicContact CB-CD1 3.91Å; L73-L111 HydrophobicContact CD2-CD1 3.9Å; I109-L111 HydrophobicContact CG2-CB 4.41Å; L111-R113 HydrophobicContact CD1-CG 3.87Å; L111-R113 HydrophobicContact CD2-CG 4.48Å; L111-R113 HydrophobicContact CG-CG 3.87Å; L111-A124 HydrophobicContact CD1-CB 4.4Å; L111-A124 HydrophobicContact CD2-CB 4.15Å; L111-L125 HydrophobicContact CD2-CD2 3.89Å; L111-L125 HydrophobicContact CD2-CG 4.2Å; L111-I128 HydrophobicContact CD2-CD1 4.17Å; L111-V139 HydrophobicContact CB-CG1 4.36Å; L111-L140 PolarHBondContact N-O 3.4Å; L111-V141 HydrophobicContact CB-CG2 4.39Å; L111-V141 HydrophobicContact CD2-CG1 4.36Å; L111-V141 HydrophobicContact CD2-CG2 4.25Å; L111-V141 HydrophobicContact CG-CG1 4.48Å; L111-V141 WeakPolarHBondContact O-CA 3.21Å; L111-L142 PolarHBondContact O-N 3.02Å |
| 112 | D | 89 | Confident | 79.8 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.032 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 109.8 | -179.8 | -172.7 | 12.2 | 0 | 0 | 0 | 112.1 | L73 E75 R114 L142 F192 | L73-D112 PolarHBondContact O-N 3.42Å; E75-D112 WeakPolarHBondContact CA-O 3.46Å; D112-R114 VanDerWaalsContact CG-NE 3.34Å; D112-R114 WeakPolarHBondContact OD1-CD 3.29Å; D112-R114 WeakPolarHBondContact OD1-CG 3.43Å; D112-R114 IonicContact OD1-CZ 2.8Å; D112-R114 PolarHBondContact OD1-N 3.12Å; D112-R114 IonicContact OD1-NE 3.22Å; D112-R114 PolarHBondContact OD1-NE 3.04Å; D112-R114 IonicContact OD1-NH2 3.11Å; D112-R114 IonicContact OD2-CZ 2.81Å; D112-R114 VanDerWaalsContact OD2-CZ 3.29Å; D112-R114 IonicContact OD2-NE 2.78Å; D112-R114 PolarHBondContact OD2-NE 3.32Å; D112-R114 VanDerWaalsContact OD2-NE 3.14Å; D112-R114 IonicContact OD2-NH2 2.94Å; D112-R114 PolarHBondContact OD2-NH2 3.38Å; D112-L142 HydrophobicContact CB-CD1 4.33Å; D112-F192 HydrophobicContact CB-CE1 4.11Å; D112-F192 HydrophobicContact CB-CZ 4.36Å |
| 113 | R | 86.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -133.4 | 39.5 | -178.1 | -65.7 | -70.2 | 174.7 | -95.6 | 7.6 | 110.2 | P74 F79 L111 L115 D116 I121 L142 P144 | P74-R113 PolarHBondContact O-NH1 3.18Å; F79-R113 VanDerWaalsContact CD2-NH2 3.26Å; L111-R113 HydrophobicContact CD1-CG 3.87Å; L111-R113 HydrophobicContact CD2-CG 4.48Å; L111-R113 HydrophobicContact CG-CG 3.87Å; R113-L115 PolarHBondContact O-N 3.16Å; R113-D116 HydrophobicContact CB-CB 3.89Å; R113-D116 WeakPolarHBondContact CD-OD2 3.4Å; R113-D116 IonicContact NE-OD2 3.75Å; R113-D116 PolarHBondContact O-N 2.9Å; R113-I121 HydrophobicContact CB-CD1 4.14Å; R113-I121 HydrophobicContact CB-CG1 3.74Å; R113-I121 HydrophobicContact CG-CG1 4.12Å; R113-L142 CarbonylContact C-O 3.52Å; R113-L142 VanDerWaalsContact C-O 3.31Å; R113-L142 WeakPolarHBondContact CA-O 3.18Å; R113-L142 PolarHBondContact N-O 3.48Å; R113-P144 WeakPolarHBondContact O-CD 3.49Å; R113-P144 WeakPolarHBondContact O-CG 3.38Å | ||
| 114 | R | 84.3 | Confident | 82.9 | Confident | 82 Ų | 82 | 36.4 Ų | 36.4 | 31% | 0.309 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -33.5 | -175.7 | -80.5 | 177.5 | -70.6 | 177.1 | -2.2 | 114.6 | D112 L142 P144 | D112-R114 VanDerWaalsContact CG-NE 3.34Å; D112-R114 WeakPolarHBondContact OD1-CD 3.29Å; D112-R114 WeakPolarHBondContact OD1-CG 3.43Å; D112-R114 IonicContact OD1-CZ 2.8Å; D112-R114 PolarHBondContact OD1-N 3.12Å; D112-R114 IonicContact OD1-NE 3.22Å; D112-R114 PolarHBondContact OD1-NE 3.04Å; D112-R114 IonicContact OD1-NH2 3.11Å; D112-R114 IonicContact OD2-CZ 2.81Å; D112-R114 VanDerWaalsContact OD2-CZ 3.29Å; D112-R114 IonicContact OD2-NE 2.78Å; D112-R114 PolarHBondContact OD2-NE 3.32Å; D112-R114 VanDerWaalsContact OD2-NE 3.14Å; D112-R114 IonicContact OD2-NH2 2.94Å; D112-R114 PolarHBondContact OD2-NH2 3.38Å; R114-L142 HydrophobicContact CG-CB 4.01Å; R114-P144 VanDerWaalsContact O-CA 3.27Å; R114-P144 WeakPolarHBondContact O-CA 3.41Å |
| 115 | L | 79.6 | Confident | 84 | Confident | 147 Ų | 147 | 34.6 Ų | 34.6 | 77% | 0.77 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102 | 12.3 | 175.6 | -55.3 | -177.1 | 0 | 0 | 0 | 114.3 | E75 R113 | E75-L115 WeakPolarHBondContact OE1-CB 3.48Å; E75-L115 WeakPolarHBondContact OE1-CD1 3.31Å; E75-L115 VanDerWaalsContact OE2-CB 3.27Å; E75-L115 WeakPolarHBondContact OE2-CB 3.35Å; E75-L115 VanDerWaalsContact OE2-CG 3.27Å; E75-L115 WeakPolarHBondContact OE2-CG 3.41Å; E75-L115 PolarHBondContact OE2-N 3.39Å; R113-L115 PolarHBondContact O-N 3.16Å |
| 116 | D | 77.8 | Confident | 84.3 | Confident | 27 Ų | 27 | 34.9 Ų | 34.9 | 14% | 0.144 | 19% | 0.192 | C | C | . | . | trans | -101 | -172.3 | -166.4 | -143.7 | -31.5 | 0 | 0 | 0 | 114.7 | R113 S120 P144 | R113-D116 HydrophobicContact CB-CB 3.89Å; R113-D116 WeakPolarHBondContact CD-OD2 3.4Å; R113-D116 IonicContact NE-OD2 3.75Å; R113-D116 PolarHBondContact O-N 2.9Å; D116-S120 WeakPolarHBondContact OD1-CB 3.49Å; D116-S120 PolarHBondContact OD1-OG 3.4Å; D116-S120 VanDerWaalsContact OD1-OG 3.11Å; D116-S120 WeakPolarHBondContact OD2-CB 3.3Å; D116-S120 PolarHBondContact OD2-OG 3.29Å; D116-P144 WeakPolarHBondContact O-CG 3.28Å | ||
| 117 | T | 80.4 | Confident | 84.3 | Confident | 65 Ų | 65 | 33.1 Ų | 33.1 | 40% | 0.399 | 18% | 0.183 | S | C | . | . | trans | -110.3 | 157.4 | 178.9 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | A119 S120 I121 | T117-A119 PolarHBondContact O-N 2.78Å; T117-S120 WeakPolarHBondContact O-CB 3.43Å; T117-S120 PolarHBondContact O-N 2.72Å; T117-S120 VanDerWaalsContact O-N 3.14Å; T117-S120 PolarHBondContact OG1-N 3.01Å; T117-I121 WeakPolarHBondContact O-CG1 3.33Å; T117-I121 PolarHBondContact O-N 3.39Å | ||
| 118 | W | 76.8 | Confident | 84.2 | Confident | 44 Ų | 44 | 32.7 Ų | 32.7 | 17% | 0.167 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.2 | -34.1 | 173.9 | 177.1 | -122.6 | 0 | 0 | 0 | 112.9 | I121 K122 V152 T153 F157 M172 | W118-I121 HydrophobicContact CE3-CB 4.14Å; W118-I121 HydrophobicContact CE3-CG2 4.07Å; W118-I121 HydrophobicContact CZ3-CB 4.44Å; W118-I121 HydrophobicContact CZ3-CG2 3.87Å; W118-I121 PolarHBondContact O-N 3.05Å; W118-K122 PolarHBondContact O-N 3.49Å; W118-V152 HydrophobicContact CB-CG1 4.37Å; W118-T153 HydrophobicContact CB-CG2 3.89Å; W118-T153 HydrophobicContact CD2-CG2 4.36Å; W118-T153 HydrophobicContact CE3-CG2 3.92Å; W118-T153 HydrophobicContact CG-CG2 4.38Å; W118-F157 HydrophobicContact CH2-CB 3.79Å; W118-F157 HydrophobicContact CH2-CD2 4.13Å; W118-F157 HydrophobicContact CH2-CG 4.48Å; W118-F157 HydrophobicContact CZ2-CB 4.39Å; W118-F157 HydrophobicContact CZ3-CB 4.3Å; W118-M172 HydrophobicContact CZ3-CE 4.21Å |
| 119 | A | 77.4 | Confident | 83.9 | Confident | 65 Ų | 65 | 34.9 Ų | 34.9 | 54% | 0.537 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.6 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | T117 T123 | T117-A119 PolarHBondContact O-N 2.78Å; A119-T123 WeakPolarHBondContact O-CB 3.11Å; A119-T123 PolarHBondContact O-N 3.04Å; A119-T123 PolarHBondContact O-OG1 3.2Å |
| 120 | S | 81.3 | Confident | 83.5 | Confident | 26 Ų | 26 | 38.1 Ų | 38.1 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | 172.1 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | D116 T117 K122 T123 A124 | D116-S120 WeakPolarHBondContact OD1-CB 3.49Å; D116-S120 PolarHBondContact OD1-OG 3.4Å; D116-S120 VanDerWaalsContact OD1-OG 3.11Å; D116-S120 WeakPolarHBondContact OD2-CB 3.3Å; D116-S120 PolarHBondContact OD2-OG 3.29Å; T117-S120 WeakPolarHBondContact O-CB 3.43Å; T117-S120 PolarHBondContact O-N 2.72Å; T117-S120 VanDerWaalsContact O-N 3.14Å; T117-S120 PolarHBondContact OG1-N 3.01Å; S120-K122 PolarHBondContact O-N 3.2Å; S120-T123 WeakPolarHBondContact O-CB 3.22Å; S120-T123 PolarHBondContact O-N 2.99Å; S120-T123 VanDerWaalsContact O-N 3.17Å; S120-A124 WeakPolarHBondContact O-CB 3.45Å; S120-A124 PolarHBondContact O-N 3.39Å |
| 121 | I | 82.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -48.4 | 177.4 | -65.6 | 166.5 | 0 | 0 | 0 | 111.3 | R113 T117 W118 T123 A124 L125 V141 R143 T153 M172 | R113-I121 HydrophobicContact CB-CD1 4.14Å; R113-I121 HydrophobicContact CB-CG1 3.74Å; R113-I121 HydrophobicContact CG-CG1 4.12Å; T117-I121 WeakPolarHBondContact O-CG1 3.33Å; T117-I121 PolarHBondContact O-N 3.39Å; W118-I121 HydrophobicContact CE3-CB 4.14Å; W118-I121 HydrophobicContact CE3-CG2 4.07Å; W118-I121 HydrophobicContact CZ3-CB 4.44Å; W118-I121 HydrophobicContact CZ3-CG2 3.87Å; W118-I121 PolarHBondContact O-N 3.05Å; I121-T123 VanDerWaalsContact C-N 3.29Å; I121-T123 PolarHBondContact O-N 2.66Å; I121-A124 PolarHBondContact O-N 2.82Å; I121-L125 HydrophobicContact CG2-CD1 3.9Å; I121-L125 HydrophobicContact CG2-CG 4.42Å; I121-L125 WeakPolarHBondContact O-CG 3.43Å; I121-L125 PolarHBondContact O-N 3.25Å; I121-V141 HydrophobicContact CG2-CG1 4.14Å; I121-R143 HydrophobicContact CD1-CB 4.44Å; I121-T153 HydrophobicContact CD1-CG2 4.36Å; I121-M172 HydrophobicContact CG2-CE 4.46Å |
| 122 | K | 79.9 | Confident | 83 | Confident | 67 Ų | 67 | 39.9 Ų | 39.9 | 29% | 0.291 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.1 | -38.4 | 176.8 | -175.6 | 164.9 | 179.1 | 154.4 | 0 | 111.8 | W118 S120 A126 D163 F164 | W118-K122 PolarHBondContact O-N 3.49Å; S120-K122 PolarHBondContact O-N 3.2Å; K122-A126 WeakPolarHBondContact O-CB 3.36Å; K122-A126 PolarHBondContact O-N 2.79Å; K122-D163 IonicContact NZ-OD2 3.23Å; K122-D163 PolarHBondContact NZ-OD2 2.95Å; K122-F164 HydrophobicContact CD-CE2 4.1Å; K122-F164 HydrophobicContact CD-CZ 4.21Å; K122-F164 HydrophobicContact CG-CE2 3.93Å; K122-F164 HydrophobicContact CG-CZ 3.69Å |
| 123 | T | 82.9 | Confident | 82.7 | Confident | 70 Ų | 70 | 43.1 Ų | 43.1 | 43% | 0.429 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 176.5 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | A119 S120 I121 A126 R127 | A119-T123 WeakPolarHBondContact O-CB 3.11Å; A119-T123 PolarHBondContact O-N 3.04Å; A119-T123 PolarHBondContact O-OG1 3.2Å; S120-T123 WeakPolarHBondContact O-CB 3.22Å; S120-T123 PolarHBondContact O-N 2.99Å; S120-T123 VanDerWaalsContact O-N 3.17Å; I121-T123 VanDerWaalsContact C-N 3.29Å; I121-T123 PolarHBondContact O-N 2.66Å; T123-A126 PolarHBondContact O-N 3.02Å; T123-R127 WeakPolarHBondContact O-CB 3.33Å; T123-R127 VanDerWaalsContact O-CG 3.31Å; T123-R127 WeakPolarHBondContact O-CG 3.31Å; T123-R127 PolarHBondContact O-N 2.75Å |
| 124 | A | 84.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F79 L111 S120 I121 A126 R127 I128 | F79-A124 HydrophobicContact CD1-CB 4.08Å; F79-A124 HydrophobicContact CE1-CB 3.82Å; L111-A124 HydrophobicContact CD1-CB 4.4Å; L111-A124 HydrophobicContact CD2-CB 4.15Å; S120-A124 WeakPolarHBondContact O-CB 3.45Å; S120-A124 PolarHBondContact O-N 3.39Å; I121-A124 PolarHBondContact O-N 2.82Å; A124-A126 PolarHBondContact O-N 3.49Å; A124-R127 PolarHBondContact O-N 2.82Å; A124-I128 WeakPolarHBondContact O-CD1 3.33Å; A124-I128 VanDerWaalsContact O-CG1 3.24Å; A124-I128 WeakPolarHBondContact O-CG1 3.46Å; A124-I128 PolarHBondContact O-N 2.83Å |
| 125 | L | 84.7 | Confident | 82 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 176.7 | -68.4 | 171.4 | 0 | 0 | 0 | 112.2 | L111 I121 I128 A129 V139 V141 M168 V170 | L111-L125 HydrophobicContact CD2-CD2 3.89Å; L111-L125 HydrophobicContact CD2-CG 4.2Å; I121-L125 HydrophobicContact CG2-CD1 3.9Å; I121-L125 HydrophobicContact CG2-CG 4.42Å; I121-L125 WeakPolarHBondContact O-CG 3.43Å; I121-L125 PolarHBondContact O-N 3.25Å; L125-I128 PolarHBondContact O-N 2.86Å; L125-A129 WeakPolarHBondContact O-CB 3.45Å; L125-A129 PolarHBondContact O-N 2.91Å; L125-V139 HydrophobicContact CD2-CG1 3.88Å; L125-V141 HydrophobicContact CD2-CG2 4.11Å; L125-M168 HydrophobicContact CB-CE 4.15Å; L125-M168 HydrophobicContact CD2-CE 3.86Å; L125-V170 HydrophobicContact CD1-CG1 4.27Å; L125-V170 HydrophobicContact CD2-CG1 4.12Å; L125-V170 HydrophobicContact CD2-CG2 4.38Å |
| 126 | A | 83.1 | Confident | 82.2 | Confident | 43 Ų | 43 | 40.1 Ų | 40.1 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K122 T123 A124 A129 A130 F164 | K122-A126 WeakPolarHBondContact O-CB 3.36Å; K122-A126 PolarHBondContact O-N 2.79Å; T123-A126 PolarHBondContact O-N 3.02Å; A124-A126 PolarHBondContact O-N 3.49Å; A126-A129 PolarHBondContact O-N 3.47Å; A126-A130 PolarHBondContact O-N 3.36Å; A126-F164 HydrophobicContact CB-CE1 4.04Å; A126-F164 HydrophobicContact CB-CZ 4.5Å |
| 127 | R | 85.9 | Confident | 82.5 | Confident | 32 Ų | 32 | 42.3 Ų | 42.3 | 12% | 0.121 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 178.3 | -73.6 | -179.4 | 59.2 | 142.3 | 10.1 | 113.1 | F79 S80 I82 L87 T123 A124 A130 S131 | F79-R127 PolarHBondContact O-NH1 3.48Å; S80-R127 PolarHBondContact O-NH1 3.42Å; I82-R127 PolarHBondContact O-NH1 2.84Å; I82-R127 PolarHBondContact O-NH2 2.98Å; L87-R127 HydrophobicContact CD2-CB 3.99Å; T123-R127 WeakPolarHBondContact O-CB 3.33Å; T123-R127 VanDerWaalsContact O-CG 3.31Å; T123-R127 WeakPolarHBondContact O-CG 3.31Å; T123-R127 PolarHBondContact O-N 2.75Å; A124-R127 PolarHBondContact O-N 2.82Å; R127-A130 PolarHBondContact O-N 2.8Å; R127-S131 VanDerWaalsContact O-CB 3.22Å; R127-S131 WeakPolarHBondContact O-CB 3.15Å; R127-S131 PolarHBondContact O-N 3.38Å; R127-S131 PolarHBondContact O-OG 2.78Å |
| 128 | I | 87 | Confident | 82.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60 | -50.3 | 171.7 | -69.1 | 161.4 | 0 | 0 | 0 | 109.5 | L73 F91 I109 L111 A124 L125 A130 S131 F132 L136 M168 | L73-I128 HydrophobicContact CD2-CD1 3.8Å; L73-I128 HydrophobicContact CD2-CG1 4.17Å; F91-I128 HydrophobicContact CE2-CG1 4.35Å; F91-I128 HydrophobicContact CZ-CG1 4.06Å; I109-I128 HydrophobicContact CD1-CG2 3.58Å; I109-I128 HydrophobicContact CG2-CD1 4.45Å; L111-I128 HydrophobicContact CD2-CD1 4.17Å; A124-I128 WeakPolarHBondContact O-CD1 3.33Å; A124-I128 VanDerWaalsContact O-CG1 3.24Å; A124-I128 WeakPolarHBondContact O-CG1 3.46Å; A124-I128 PolarHBondContact O-N 2.83Å; L125-I128 PolarHBondContact O-N 2.86Å; I128-A130 PolarHBondContact O-N 3.26Å; I128-S131 PolarHBondContact O-N 3.12Å; I128-F132 HydrophobicContact CG2-CB 4.43Å; I128-F132 WeakPolarHBondContact O-CB 3.46Å; I128-F132 PolarHBondContact O-N 3.23Å; I128-L136 HydrophobicContact CG2-CD2 3.83Å; I128-M168 HydrophobicContact CG2-SD 4.11Å |
| 129 | A | 83.4 | Confident | 83.4 | Confident | 54 Ų | 54 | 38.4 Ų | 38.4 | 45% | 0.446 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.8 | -19.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L125 A126 M168 | L125-A129 WeakPolarHBondContact O-CB 3.45Å; L125-A129 PolarHBondContact O-N 2.91Å; A126-A129 PolarHBondContact O-N 3.47Å; A129-M168 HydrophobicContact CB-CE 4.42Å; A129-M168 HydrophobicContact CB-SD 4.3Å |
| 130 | A | 83 | Confident | 84 | Confident | 67 Ų | 67 | 35.3 Ų | 35.3 | 55% | 0.554 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -92.9 | -36 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E84 A126 R127 I128 | E84-A130 WeakPolarHBondContact OE1-CB 3.37Å; A126-A130 PolarHBondContact O-N 3.36Å; R127-A130 PolarHBondContact O-N 2.8Å; I128-A130 PolarHBondContact O-N 3.26Å |
| 131 | S | 86.9 | Confident | 84.4 | Confident | 10 Ų | 10 | 34 Ų | 34 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -101 | -10.7 | -171.4 | -62.6 | 0 | 0 | 0 | 0 | 115.3 | E84 R127 I128 | E84-S131 WeakPolarHBondContact CG-OG 3.37Å; R127-S131 VanDerWaalsContact O-CB 3.22Å; R127-S131 WeakPolarHBondContact O-CB 3.15Å; R127-S131 PolarHBondContact O-N 3.38Å; R127-S131 PolarHBondContact O-OG 2.78Å; I128-S131 PolarHBondContact O-N 3.12Å |
| 132 | F | 86.1 | Confident | 84.6 | Confident | 28 Ų | 28 | 34.2 Ų | 34.2 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | trans | -85.7 | 123.8 | -174.2 | -164.1 | -95.7 | 0 | 0 | 0 | 112.5 | I71 F91 T95 F107 I109 I128 G134 L136 | I71-F132 HydrophobicContact CD1-CE2 4.02Å; I71-F132 HydrophobicContact CD1-CZ 4.25Å; F91-F132 HydrophobicContact CB-CD2 4.06Å; F91-F132 AromaticContact CD1-CD2 3.92Å; F91-F132 HydrophobicContact CD1-CD2 3.92Å; F91-F132 HydrophobicContact CD1-CE2 4.2Å; F91-F132 HydrophobicContact CD2-CB 4.48Å; F91-F132 HydrophobicContact CD2-CD2 4.14Å; F91-F132 HydrophobicContact CE1-CD2 4.38Å; F91-F132 AromaticContact CG-CD2 3.8Å; F91-F132 HydrophobicContact CG-CD2 3.8Å; F91-F132 HydrophobicContact CG-CE2 4.42Å; T95-F132 HydrophobicContact CG2-CE1 4.21Å; T95-F132 HydrophobicContact CG2-CE2 3.74Å; T95-F132 HydrophobicContact CG2-CZ 3.48Å; T95-F132 VanDerWaalsContact CG2-CZ 3.48Å; F107-F132 HydrophobicContact CB-CE1 4.02Å; F107-F132 HydrophobicContact CB-CZ 3.64Å; F107-F132 HydrophobicContact CD1-CZ 4.2Å; F107-F132 HydrophobicContact CD2-CE1 4.04Å; F107-F132 HydrophobicContact CD2-CZ 4Å; F107-F132 HydrophobicContact CG-CE1 4.11Å; F107-F132 AromaticContact CG-CZ 3.67Å; F107-F132 HydrophobicContact CG-CZ 3.67Å; I109-F132 HydrophobicContact CD1-CD2 3.93Å; I109-F132 HydrophobicContact CD1-CE2 3.91Å; I128-F132 HydrophobicContact CG2-CB 4.43Å; I128-F132 WeakPolarHBondContact O-CB 3.46Å; I128-F132 PolarHBondContact O-N 3.23Å; F132-G134 WeakPolarHBondContact CD1-O 3.3Å; F132-L136 HydrophobicContact CD1-CB 3.89Å; F132-L136 HydrophobicContact CD1-CD2 4.34Å; F132-L136 HydrophobicContact CE1-CB 3.94Å; F132-L136 HydrophobicContact CE1-CD1 4.33Å | ||
| 133 | P | 82.4 | Confident | 84.6 | Confident | 75 Ų | 75 | 31.6 Ų | 31.6 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | trans | -95.6 | -5.2 | -170.4 | 37.6 | -37.7 | 0 | 0 | 0 | 115.1 | T95 | T95-P133 HydrophobicContact CG2-CG 4.45Å; T95-P133 WeakPolarHBondContact OG1-CG 3.38Å | ||
| 134 | G | 75.8 | Confident | 84.3 | Confident | 27 Ų | 27 | 28.4 Ų | 28.4 | 28% | 0.278 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -109.5 | 176.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F132 L136 | F132-G134 WeakPolarHBondContact CD1-O 3.3Å; G134-L136 PolarHBondContact O-N 3.48Å |
| 135 | N | 80.5 | Confident | 83.3 | Confident | 102 Ų | 102 | 33.3 Ų | 33.3 | 55% | 0.545 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 88 | 175.4 | -65.7 | -27.7 | 0 | 0 | 0 | 110.9 | K106 F107 H137 | K106-N135 WeakPolarHBondContact CA-O 3.49Å; F107-N135 PolarHBondContact N-O 2.91Å; N135-H137 PolarHBondContact O-N 2.93Å |
| 136 | L | 83.6 | Confident | 82.3 | Confident | 37 Ų | 37 | 36.7 Ų | 36.7 | 19% | 0.194 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 112.7 | 177.5 | -173.5 | 52.2 | 0 | 0 | 0 | 110.5 | F107 I109 I128 F132 G134 V139 M168 | F107-L136 HydrophobicContact CB-CD1 4.46Å; I109-L136 HydrophobicContact CB-CD1 4.34Å; I109-L136 HydrophobicContact CD1-CD1 3.6Å; I109-L136 HydrophobicContact CD1-CD2 4.03Å; I109-L136 HydrophobicContact CG1-CD1 3.72Å; I128-L136 HydrophobicContact CG2-CD2 3.83Å; F132-L136 HydrophobicContact CD1-CB 3.89Å; F132-L136 HydrophobicContact CD1-CD2 4.34Å; F132-L136 HydrophobicContact CE1-CB 3.94Å; F132-L136 HydrophobicContact CE1-CD1 4.33Å; G134-L136 PolarHBondContact O-N 3.48Å; L136-V139 HydrophobicContact CD1-CG2 4.17Å; L136-V139 HydrophobicContact CD2-CG2 3.88Å; L136-V139 HydrophobicContact CG-CG2 4.18Å; L136-M168 HydrophobicContact CD2-CG 3.88Å; L136-M168 HydrophobicContact CD2-SD 3.44Å; L136-M168 WeakPolarHBondContact CD2-SD 3.43Å; L136-M168 HydrophobicContact CG-CG 4.41Å |
| 137 | H | 84.2 | Confident | 80.9 | Confident | 72 Ų | 72 | 42 Ų | 42 | 33% | 0.333 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -35.6 | -175.3 | 177.2 | 28.1 | 0 | 0 | 0 | 113.1 | K106 F107 N135 P169 | K106-H137 HydrophobicContact CB-CB 3.82Å; K106-H137 HydrophobicContact CD-CB 4.14Å; K106-H137 HydrophobicContact CG-CB 3.99Å; F107-H137 WeakPolarHBondContact O-CB 3.32Å; F107-H137 PolarHBondContact O-N 3.16Å; N135-H137 PolarHBondContact O-N 2.93Å; H137-P169 WeakPolarHBondContact O-CG 3.15Å |
| 138 | L | 87.8 | Confident | 79.4 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 144 | -178 | -171.7 | 59.3 | 0 | 0 | 0 | 111.5 | F107 I108 I109 L140 P169 V171 Y182 | F107-L138 PolarHBondContact O-N 3.48Å; I108-L138 WeakPolarHBondContact CA-O 3.38Å; I108-L138 HydrophobicContact CG1-CB 4.3Å; I108-L138 HydrophobicContact CG2-CB 4.38Å; I109-L138 PolarHBondContact N-O 3.28Å; L138-L140 HydrophobicContact CD2-CD1 4.43Å; L138-L140 HydrophobicContact CD2-CD2 3.78Å; L138-L140 HydrophobicContact CD2-CG 4.01Å; L138-L140 HydrophobicContact CG-CD2 4.18Å; L138-L140 HydrophobicContact CG-CG 4.18Å; L138-P169 HydrophobicContact CD1-CB 4.49Å; L138-V171 HydrophobicContact CD1-CG2 3.91Å; L138-Y182 HydrophobicContact CD2-CD1 4.17Å |
| 139 | V | 89.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 117.2 | 165.8 | -172.4 | 0 | 0 | 0 | 0 | 110 | I109 L111 L125 L136 V141 M168 P169 V170 V171 | I109-V139 HydrophobicContact CB-CG1 4.27Å; I109-V139 HydrophobicContact CB-CG2 4.31Å; I109-V139 HydrophobicContact CG2-CG1 4.17Å; I109-V139 CarbonylContact O-C 3.31Å; I109-V139 WeakPolarHBondContact O-CA 3.32Å; L111-V139 HydrophobicContact CB-CG1 4.36Å; L125-V139 HydrophobicContact CD2-CG1 3.88Å; L136-V139 HydrophobicContact CD1-CG2 4.17Å; L136-V139 HydrophobicContact CD2-CG2 3.88Å; L136-V139 HydrophobicContact CG-CG2 4.18Å; V139-V141 HydrophobicContact CG1-CG2 4Å; V139-M168 HydrophobicContact CG2-CE 4.21Å; V139-M168 HydrophobicContact CG2-CG 3.84Å; V139-M168 HydrophobicContact CG2-SD 3.63Å; V139-P169 PolarHBondContact N-O 3.4Å; V139-V170 HydrophobicContact CB-CG1 4.4Å; V139-V170 HydrophobicContact CB-CG2 4.31Å; V139-V170 WeakPolarHBondContact O-CA 3.33Å; V139-V171 PolarHBondContact O-N 3.29Å |
| 140 | L | 89.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 111.6 | 177.7 | -65.9 | 170.2 | 0 | 0 | 0 | 108.9 | I108 I109 L111 L138 V171 L173 L179 Y182 I183 | I108-L140 HydrophobicContact CG2-CD1 3.87Å; I108-L140 HydrophobicContact CG2-CG 4.32Å; I109-L140 PolarHBondContact O-N 2.89Å; L111-L140 PolarHBondContact N-O 3.4Å; L138-L140 HydrophobicContact CD2-CD1 4.43Å; L138-L140 HydrophobicContact CD2-CD2 3.78Å; L138-L140 HydrophobicContact CD2-CG 4.01Å; L138-L140 HydrophobicContact CG-CD2 4.18Å; L138-L140 HydrophobicContact CG-CG 4.18Å; L140-V171 HydrophobicContact CD2-CB 4.17Å; L140-V171 HydrophobicContact CD2-CG1 4.37Å; L140-L173 HydrophobicContact CB-CD1 4.13Å; L140-L173 HydrophobicContact CD2-CD1 4.32Å; L140-L173 HydrophobicContact CD2-CD2 4.44Å; L140-L179 HydrophobicContact CB-CD2 4.05Å; L140-L179 HydrophobicContact CD1-CD2 3.92Å; L140-Y182 HydrophobicContact CD2-CD1 4.29Å; L140-Y182 HydrophobicContact CD2-CD2 3.84Å; L140-Y182 HydrophobicContact CD2-CE2 4.32Å; L140-Y182 HydrophobicContact CD2-CG 3.83Å; L140-I183 HydrophobicContact CD1-CD1 3.55Å; L140-I183 HydrophobicContact CD1-CG1 4.14Å |
| 141 | V | 89 | Confident | 75.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 114.1 | -174.2 | -172.7 | 0 | 0 | 0 | 0 | 110.7 | L111 I121 L125 V139 R143 V170 V171 M172 L173 | L111-V141 HydrophobicContact CB-CG2 4.39Å; L111-V141 HydrophobicContact CD2-CG1 4.36Å; L111-V141 HydrophobicContact CD2-CG2 4.25Å; L111-V141 HydrophobicContact CG-CG1 4.48Å; L111-V141 WeakPolarHBondContact O-CA 3.21Å; I121-V141 HydrophobicContact CG2-CG1 4.14Å; L125-V141 HydrophobicContact CD2-CG2 4.11Å; V139-V141 HydrophobicContact CG1-CG2 4Å; V141-R143 PolarHBondContact O-N 3.44Å; V141-V170 HydrophobicContact CG2-CG1 3.72Å; V141-V171 PolarHBondContact N-O 2.96Å; V141-M172 HydrophobicContact CB-CE 4.32Å; V141-M172 HydrophobicContact CB-SD 3.72Å; V141-M172 HydrophobicContact CG1-CE 3.99Å; V141-M172 HydrophobicContact CG1-SD 3.96Å; V141-M172 HydrophobicContact CG2-SD 3.98Å; V141-L173 PolarHBondContact O-N 3.19Å |
| 142 | L | 86.7 | Confident | 74 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 113.4 | 167.5 | -62.8 | 171.1 | 0 | 0 | 0 | 108.7 | L111 D112 R113 R114 L173 V176 L179 F192 | L111-L142 PolarHBondContact O-N 3.02Å; D112-L142 HydrophobicContact CB-CD1 4.33Å; R113-L142 CarbonylContact C-O 3.52Å; R113-L142 VanDerWaalsContact C-O 3.31Å; R113-L142 WeakPolarHBondContact CA-O 3.18Å; R113-L142 PolarHBondContact N-O 3.48Å; R114-L142 HydrophobicContact CG-CB 4.01Å; L142-L173 HydrophobicContact CD2-CB 4.17Å; L142-L173 HydrophobicContact CD2-CD1 4.05Å; L142-V176 HydrophobicContact CD1-CG2 4.37Å; L142-V176 HydrophobicContact CD2-CG2 4.41Å; L142-L179 HydrophobicContact CD1-CD1 4.2Å; L142-L179 HydrophobicContact CD2-CD1 4.18Å; L142-L179 HydrophobicContact CD2-CG 4.19Å; L142-F192 HydrophobicContact CD1-CD1 3.65Å; L142-F192 HydrophobicContact CD1-CE1 3.64Å |
| 143 | R | 79.4 | Confident | 72.7 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | trans | -104.5 | 167.4 | -173 | 78.4 | -157.8 | 176.2 | 108.6 | -15.2 | 113.1 | I121 V141 T145 R150 T153 D154 M172 L173 S174 | I121-R143 HydrophobicContact CD1-CB 4.44Å; V141-R143 PolarHBondContact O-N 3.44Å; R143-T145 PolarHBondContact O-N 3.43Å; R143-R150 PolarHBondContact NH1-O 3Å; R143-T153 PolarHBondContact NH1-OG1 3.46Å; R143-D154 IonicContact CZ-OD1 3.6Å; R143-D154 VanDerWaalsContact CZ-OD1 3.22Å; R143-D154 IonicContact CZ-OD2 3.66Å; R143-D154 VanDerWaalsContact CZ-OD2 3.26Å; R143-D154 IonicContact NH1-OD1 3.62Å; R143-D154 PolarHBondContact NH1-OD1 3.44Å; R143-D154 VanDerWaalsContact NH1-OD1 3.11Å; R143-D154 IonicContact NH1-OD2 3.71Å; R143-D154 PolarHBondContact NH1-OD2 3.01Å; R143-D154 VanDerWaalsContact NH2-CG 3.27Å; R143-D154 IonicContact NH2-OD1 2.71Å; R143-D154 PolarHBondContact NH2-OD1 3.21Å; R143-D154 IonicContact NH2-OD2 3.07Å; R143-D154 PolarHBondContact NH2-OD2 3.01Å; R143-M172 HydrophobicContact CB-CE 3.94Å; R143-L173 WeakPolarHBondContact CD-O 3.35Å; R143-L173 VanDerWaalsContact CG-O 3.28Å; R143-L173 WeakPolarHBondContact CG-O 3.33Å; R143-L173 PolarHBondContact NE-O 3.49Å; R143-S174 PolarHBondContact NH2-OG 3.13Å | ||
| 144 | P | 76.1 | Confident | 71.5 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | trans | -62.1 | 134.2 | 177 | -20.8 | 31.2 | 0 | 0 | 0 | 113.2 | R113 R114 D116 H149 | R113-P144 WeakPolarHBondContact O-CD 3.49Å; R113-P144 WeakPolarHBondContact O-CG 3.38Å; R114-P144 VanDerWaalsContact O-CA 3.27Å; R114-P144 WeakPolarHBondContact O-CA 3.41Å; D116-P144 WeakPolarHBondContact O-CG 3.28Å; P144-H149 HydrophobicContact CB-CB 3.98Å | ||
| 145 | T | 64.8 | Low | 70.6 | Confident | 104 Ų | 104 | 59.6 Ų | 59.6 | 64% | 0.638 | 30% | 0.303 | S | S | * | . | trans | -86.7 | -15.5 | -176.3 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | R143 F147 | R143-T145 PolarHBondContact O-N 3.43Å; T145-F147 PolarHBondContact O-N 3.01Å | ||
| 146 | S | 64.3 | Low | 69.6 | Low | 74 Ų | 74 | 55.4 Ų | 55.4 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -60.5 | 127.2 | -179.2 | -47.1 | 0 | 0 | 0 | 0 | 111.6 | F148 H149 R150 | S146-F148 VanDerWaalsContact C-N 3.34Å; S146-F148 PolarHBondContact O-N 3.39Å; S146-F148 VanDerWaalsContact O-N 3.09Å; S146-H149 PolarHBondContact O-N 3.25Å; S146-R150 PolarHBondContact O-N 2.9Å |
| 147 | F | 53.7 | Low | 68.5 | Low | 154 Ų | 154 | 55.7 Ų | 55.7 | 68% | 0.675 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -45.8 | -48.4 | -168.2 | -171.3 | -97.1 | 0 | 0 | 0 | 115 | T145 R150 T151 | T145-F147 PolarHBondContact O-N 3.01Å; F147-R150 WeakPolarHBondContact O-CB 3.4Å; F147-R150 PolarHBondContact O-N 2.94Å; F147-T151 PolarHBondContact O-N 2.88Å; F147-T151 PolarHBondContact O-OG1 3.03Å |
| 148 | F | 53.4 | Low | 67.4 | Low | 166 Ų | 166 | 61.1 Ų | 61.1 | 73% | 0.728 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68 | -40.9 | 178.7 | -65 | -78.8 | 0 | 0 | 0 | 113.3 | S146 R150 T151 V152 | S146-F148 VanDerWaalsContact C-N 3.34Å; S146-F148 PolarHBondContact O-N 3.39Å; S146-F148 VanDerWaalsContact O-N 3.09Å; F148-R150 VanDerWaalsContact C-N 3.32Å; F148-T151 PolarHBondContact O-N 3Å; F148-V152 WeakPolarHBondContact O-CG2 3.46Å; F148-V152 PolarHBondContact O-N 3.07Å |
| 149 | H | 54.5 | Low | 65.7 | Low | 87 Ų | 87 | 68.4 Ų | 68.4 | 40% | 0.403 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.2 | -33.2 | 176.4 | -74.2 | -133.9 | 0 | 0 | 0 | 111.2 | P144 S146 V152 T153 | P144-H149 HydrophobicContact CB-CB 3.98Å; S146-H149 PolarHBondContact O-N 3.25Å; H149-V152 PolarHBondContact O-N 2.7Å; H149-T153 WeakPolarHBondContact O-CB 3.41Å; H149-T153 WeakPolarHBondContact O-CG2 3.38Å; H149-T153 PolarHBondContact O-N 3.44Å; H149-T153 PolarHBondContact O-OG1 3.47Å |
| 150 | R | 58.4 | Low | 63.9 | Low | 113 Ų | 113 | 69 Ų | 69 | 43% | 0.426 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.6 | -51.5 | 173 | -169 | 179.1 | -172.7 | -179.7 | 4.8 | 111.1 | R143 S146 F147 F148 V152 T153 D154 S174 | R143-R150 PolarHBondContact NH1-O 3Å; S146-R150 PolarHBondContact O-N 2.9Å; F147-R150 WeakPolarHBondContact O-CB 3.4Å; F147-R150 PolarHBondContact O-N 2.94Å; F148-R150 VanDerWaalsContact C-N 3.32Å; R150-V152 PolarHBondContact O-N 3.14Å; R150-T153 PolarHBondContact O-N 3.11Å; R150-T153 PolarHBondContact O-OG1 3.41Å; R150-D154 WeakPolarHBondContact O-CB 3.42Å; R150-D154 PolarHBondContact O-N 3.19Å; R150-D154 VanDerWaalsContact O-OD2 3.04Å; R150-S174 PolarHBondContact NH2-OG 3.48Å |
| 151 | T | 55.1 | Low | 62.2 | Low | 67 Ų | 67 | 73 Ų | 73 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 177.6 | -54.9 | 0 | 0 | 0 | 0 | 112.4 | F147 F148 I155 | F147-T151 PolarHBondContact O-N 2.88Å; F147-T151 PolarHBondContact O-OG1 3.03Å; F148-T151 PolarHBondContact O-N 3Å; T151-I155 HydrophobicContact CG2-CD1 3.72Å; T151-I155 HydrophobicContact CG2-CG1 4.42Å; T151-I155 WeakPolarHBondContact O-CB 3.34Å; T151-I155 VanDerWaalsContact O-CG1 3.25Å; T151-I155 WeakPolarHBondContact O-CG1 3.42Å; T151-I155 PolarHBondContact O-N 3.35Å |
| 152 | V | 58.3 | Low | 60.4 | Low | 87 Ų | 87 | 79.5 Ų | 79.5 | 53% | 0.527 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 112.1 | W118 F148 H149 R150 G156 | W118-V152 HydrophobicContact CB-CG1 4.37Å; F148-V152 WeakPolarHBondContact O-CG2 3.46Å; F148-V152 PolarHBondContact O-N 3.07Å; H149-V152 PolarHBondContact O-N 2.7Å; R150-V152 PolarHBondContact O-N 3.14Å; V152-G156 PolarHBondContact O-N 3.21Å |
| 153 | T | 59 | Low | 59 | Low | 2 Ų | 2 | 84.4 Ų | 84.4 | 1% | 0.012 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70.4 | -43.1 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 112.4 | W118 I121 R143 H149 R150 I155 G156 F157 | W118-T153 HydrophobicContact CB-CG2 3.89Å; W118-T153 HydrophobicContact CD2-CG2 4.36Å; W118-T153 HydrophobicContact CE3-CG2 3.92Å; W118-T153 HydrophobicContact CG-CG2 4.38Å; I121-T153 HydrophobicContact CD1-CG2 4.36Å; R143-T153 PolarHBondContact NH1-OG1 3.46Å; H149-T153 WeakPolarHBondContact O-CB 3.41Å; H149-T153 WeakPolarHBondContact O-CG2 3.38Å; H149-T153 PolarHBondContact O-N 3.44Å; H149-T153 PolarHBondContact O-OG1 3.47Å; R150-T153 PolarHBondContact O-N 3.11Å; R150-T153 PolarHBondContact O-OG1 3.41Å; T153-I155 PolarHBondContact O-N 3.22Å; T153-G156 PolarHBondContact O-N 2.98Å; T153-F157 VanDerWaalsContact O-CB 3.31Å; T153-F157 WeakPolarHBondContact O-CB 3.49Å; T153-F157 PolarHBondContact O-N 3.29Å |
| 154 | D | 58.1 | Low | 57.8 | Low | 52 Ų | 52 | 85.7 Ų | 85.7 | 28% | 0.278 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.4 | -35.7 | 177.5 | -75.8 | -48 | 0 | 0 | 0 | 112.7 | R143 R150 R158 | R143-D154 IonicContact CZ-OD1 3.6Å; R143-D154 VanDerWaalsContact CZ-OD1 3.22Å; R143-D154 IonicContact CZ-OD2 3.66Å; R143-D154 VanDerWaalsContact CZ-OD2 3.26Å; R143-D154 IonicContact NH1-OD1 3.62Å; R143-D154 PolarHBondContact NH1-OD1 3.44Å; R143-D154 VanDerWaalsContact NH1-OD1 3.11Å; R143-D154 IonicContact NH1-OD2 3.71Å; R143-D154 PolarHBondContact NH1-OD2 3.01Å; R143-D154 VanDerWaalsContact NH2-CG 3.27Å; R143-D154 IonicContact NH2-OD1 2.71Å; R143-D154 PolarHBondContact NH2-OD1 3.21Å; R143-D154 IonicContact NH2-OD2 3.07Å; R143-D154 PolarHBondContact NH2-OD2 3.01Å; R150-D154 WeakPolarHBondContact O-CB 3.42Å; R150-D154 PolarHBondContact O-N 3.19Å; R150-D154 VanDerWaalsContact O-OD2 3.04Å; D154-R158 WeakPolarHBondContact O-CD 3.38Å; D154-R158 VanDerWaalsContact O-CG 3.25Å; D154-R158 WeakPolarHBondContact O-CG 3.43Å |
| 155 | I | 57.7 | Low | 56.5 | Low | 88 Ų | 88 | 89.8 Ų | 89.8 | 45% | 0.451 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -72.4 | -50.1 | 173.3 | -70.1 | 174.7 | 0 | 0 | 0 | 110.2 | T151 T153 F157 R158 F159 | T151-I155 HydrophobicContact CG2-CD1 3.72Å; T151-I155 HydrophobicContact CG2-CG1 4.42Å; T151-I155 WeakPolarHBondContact O-CB 3.34Å; T151-I155 VanDerWaalsContact O-CG1 3.25Å; T151-I155 WeakPolarHBondContact O-CG1 3.42Å; T151-I155 PolarHBondContact O-N 3.35Å; T153-I155 PolarHBondContact O-N 3.22Å; I155-F157 VanDerWaalsContact C-N 3.34Å; I155-F157 PolarHBondContact O-N 3.42Å; I155-R158 PolarHBondContact O-N 3.13Å; I155-R158 VanDerWaalsContact O-N 3.17Å; I155-F159 HydrophobicContact CG2-CD2 3.69Å; I155-F159 HydrophobicContact CG2-CE2 3.94Å; I155-F159 WeakPolarHBondContact O-CD2 3.5Å; I155-F159 PolarHBondContact O-N 2.93Å |
| 156 | G | 57.7 | Low | 55.8 | Low | 15 Ų | 15 | 92.2 Ų | 92.2 | 16% | 0.155 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -57.4 | -44.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V152 T153 R158 F159 S160 | V152-G156 PolarHBondContact O-N 3.21Å; T153-G156 PolarHBondContact O-N 2.98Å; G156-R158 PolarHBondContact O-N 2.96Å; G156-F159 PolarHBondContact O-N 3.45Å; G156-S160 PolarHBondContact O-N 3.29Å; G156-S160 PolarHBondContact O-OG 3.47Å |
| 157 | F | 62.5 | Low | 55.4 | Low | 43 Ų | 43 | 97.9 Ų | 97.9 | 19% | 0.189 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 177.5 | -177.3 | -100.6 | 0 | 0 | 0 | 112.3 | W118 T153 I155 S160 Q161 V170 M172 | W118-F157 HydrophobicContact CH2-CB 3.79Å; W118-F157 HydrophobicContact CH2-CD2 4.13Å; W118-F157 HydrophobicContact CH2-CG 4.48Å; W118-F157 HydrophobicContact CZ2-CB 4.39Å; W118-F157 HydrophobicContact CZ3-CB 4.3Å; T153-F157 VanDerWaalsContact O-CB 3.31Å; T153-F157 WeakPolarHBondContact O-CB 3.49Å; T153-F157 PolarHBondContact O-N 3.29Å; I155-F157 VanDerWaalsContact C-N 3.34Å; I155-F157 PolarHBondContact O-N 3.42Å; F157-S160 CarbonylContact O-C 3.49Å; F157-Q161 WeakPolarHBondContact O-CA 3.05Å; F157-Q161 WeakPolarHBondContact O-CB 3.43Å; F157-Q161 PolarHBondContact O-N 3.22Å; F157-Q161 VanDerWaalsContact O-N 3.13Å; F157-V170 HydrophobicContact CE2-CB 4.25Å; F157-V170 HydrophobicContact CE2-CG1 4.19Å; F157-M172 HydrophobicContact CD1-CG 4.15Å; F157-M172 HydrophobicContact CD2-CG 3.68Å; F157-M172 HydrophobicContact CD2-SD 4.05Å; F157-M172 HydrophobicContact CE1-CG 4.25Å; F157-M172 HydrophobicContact CE2-CG 3.8Å; F157-M172 HydrophobicContact CE2-SD 4.26Å; F157-M172 HydrophobicContact CG-CG 3.87Å; F157-M172 HydrophobicContact CZ-CG 4.08Å |
| 158 | R | 59.2 | Low | 56 | Low | 185 Ų | 185 | 90.9 Ų | 90.9 | 70% | 0.698 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -68.5 | -32 | 177.3 | -71.4 | 173.4 | -177.7 | -162.5 | -0.3 | 113.5 | D154 I155 G156 | D154-R158 WeakPolarHBondContact O-CD 3.38Å; D154-R158 VanDerWaalsContact O-CG 3.25Å; D154-R158 WeakPolarHBondContact O-CG 3.43Å; I155-R158 PolarHBondContact O-N 3.13Å; I155-R158 VanDerWaalsContact O-N 3.17Å; G156-R158 PolarHBondContact O-N 2.96Å |
| 159 | F | 52 | Low | 57 | Low | 180 Ų | 180 | 85.7 Ų | 85.7 | 79% | 0.789 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -88.5 | -12.7 | 178.9 | -82 | -75 | 0 | 0 | 0 | 114.5 | I155 G156 | I155-F159 HydrophobicContact CG2-CD2 3.69Å; I155-F159 HydrophobicContact CG2-CE2 3.94Å; I155-F159 WeakPolarHBondContact O-CD2 3.5Å; I155-F159 PolarHBondContact O-N 2.93Å; G156-F159 PolarHBondContact O-N 3.45Å |
| 160 | S | 52.1 | Low | 58.3 | Low | 13 Ų | 13 | 82.1 Ų | 82.1 | 9% | 0.091 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 35.4 | 169.1 | 79.1 | 0 | 0 | 0 | 0 | 112.5 | G156 F157 D163 | G156-S160 PolarHBondContact O-N 3.29Å; G156-S160 PolarHBondContact O-OG 3.47Å; F157-S160 CarbonylContact O-C 3.49Å; S160-D163 WeakPolarHBondContact CB-OD2 3.05Å |
| 161 | Q | 53.3 | Low | 59.6 | Low | 83 Ų | 83 | 78.5 Ų | 78.5 | 39% | 0.388 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -68.8 | -39.3 | -178.6 | -167.1 | 163.6 | -7.1 | 0 | 0 | 110.9 | F157 D163 M165 | F157-Q161 WeakPolarHBondContact O-CA 3.05Å; F157-Q161 WeakPolarHBondContact O-CB 3.43Å; F157-Q161 PolarHBondContact O-N 3.22Å; F157-Q161 VanDerWaalsContact O-N 3.13Å; Q161-D163 PolarHBondContact O-N 2.94Å; Q161-M165 HydrophobicContact CG-CG 3.78Å; Q161-M165 VanDerWaalsContact O-CB 3.3Å; Q161-M165 WeakPolarHBondContact O-CB 3.3Å; Q161-M165 WeakPolarHBondContact O-CG 3.49Å; Q161-M165 PolarHBondContact O-N 3.47Å |
| 162 | D | 52.7 | Low | 60.9 | Low | 137 Ų | 137 | 76.8 Ų | 76.8 | 73% | 0.733 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -70.6 | -26.7 | -179.4 | -57.1 | -45 | 0 | 0 | 0 | 113.7 | F164 | D162-F164 PolarHBondContact O-N 3.34Å |
| 163 | D | 57.6 | Low | 62.1 | Low | 108 Ų | 108 | 72.9 Ų | 72.9 | 58% | 0.578 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.8 | -32 | 178.9 | -79.5 | -5.6 | 0 | 0 | 0 | 112.9 | K122 S160 Q161 | K122-D163 IonicContact NZ-OD2 3.23Å; K122-D163 PolarHBondContact NZ-OD2 2.95Å; S160-D163 WeakPolarHBondContact CB-OD2 3.05Å; Q161-D163 PolarHBondContact O-N 2.94Å |
| 164 | F | 52.7 | Low | 63 | Low | 38 Ų | 38 | 74.9 Ų | 74.9 | 17% | 0.167 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -122.1 | -36 | -166.8 | -63.1 | -77.2 | 0 | 0 | 0 | 114.2 | K122 A126 D162 L166 K167 M168 | K122-F164 HydrophobicContact CD-CE2 4.1Å; K122-F164 HydrophobicContact CD-CZ 4.21Å; K122-F164 HydrophobicContact CG-CE2 3.93Å; K122-F164 HydrophobicContact CG-CZ 3.69Å; A126-F164 HydrophobicContact CB-CE1 4.04Å; A126-F164 HydrophobicContact CB-CZ 4.5Å; D162-F164 PolarHBondContact O-N 3.34Å; F164-L166 PolarHBondContact O-N 3.15Å; F164-L166 VanDerWaalsContact O-N 3.09Å; F164-K167 PolarHBondContact O-N 2.98Å; F164-K167 VanDerWaalsContact O-N 3.1Å; F164-M168 PolarHBondContact O-N 3.17Å |
| 165 | M | 50.5 | Low | 64.1 | Low | 89 Ų | 89 | 74.6 Ų | 74.6 | 44% | 0.438 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.4 | -17.9 | -174 | -69.5 | -71.6 | -68.1 | 0 | 0 | 113.5 | Q161 K167 | Q161-M165 HydrophobicContact CG-CG 3.78Å; Q161-M165 VanDerWaalsContact O-CB 3.3Å; Q161-M165 WeakPolarHBondContact O-CB 3.3Å; Q161-M165 WeakPolarHBondContact O-CG 3.49Å; Q161-M165 PolarHBondContact O-N 3.47Å; M165-K167 PolarHBondContact O-N 3.28Å |
| 166 | L | 49.8 | Very low | 65.3 | Low | 156 Ų | 156 | 72 Ų | 72 | 82% | 0.817 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -9.1 | 175.1 | -75 | 169.2 | 0 | 0 | 0 | 114.5 | F164 | F164-L166 PolarHBondContact O-N 3.15Å; F164-L166 VanDerWaalsContact O-N 3.09Å |
| 167 | K | 54.3 | Low | 66.5 | Low | 193 Ų | 193 | 75.8 Ų | 75.8 | 84% | 0.839 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.8 | -20.9 | 177.8 | -68.9 | -172.8 | 178.8 | -178.8 | 0 | 115.5 | F164 M165 | F164-K167 PolarHBondContact O-N 2.98Å; F164-K167 VanDerWaalsContact O-N 3.1Å; M165-K167 PolarHBondContact O-N 3.28Å |
| 168 | M | 67.4 | Low | 67.5 | Low | 7 Ų | 7 | 74.6 Ų | 74.6 | 3% | 0.034 | 38% | 0.377 | C | S | . | . | trans | -147.2 | 121.2 | -169.6 | -173.9 | 172.2 | 74.5 | 0 | 0 | 111.2 | L125 I128 A129 L136 V139 F164 V170 | L125-M168 HydrophobicContact CB-CE 4.15Å; L125-M168 HydrophobicContact CD2-CE 3.86Å; I128-M168 HydrophobicContact CG2-SD 4.11Å; A129-M168 HydrophobicContact CB-CE 4.42Å; A129-M168 HydrophobicContact CB-SD 4.3Å; L136-M168 HydrophobicContact CD2-CG 3.88Å; L136-M168 HydrophobicContact CD2-SD 3.44Å; L136-M168 WeakPolarHBondContact CD2-SD 3.43Å; L136-M168 HydrophobicContact CG-CG 4.41Å; V139-M168 HydrophobicContact CG2-CE 4.21Å; V139-M168 HydrophobicContact CG2-CG 3.84Å; V139-M168 HydrophobicContact CG2-SD 3.63Å; F164-M168 PolarHBondContact O-N 3.17Å; M168-V170 HydrophobicContact CE-CG2 3.64Å; M168-V170 HydrophobicContact CG-CG2 4.13Å | ||
| 169 | P | 74.4 | Confident | 68.8 | Low | 56 Ų | 56 | 65.8 Ų | 65.8 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | trans | -76.5 | 123.3 | 173.4 | 30.3 | -33.4 | 0 | 0 | 0 | 110.8 | H137 L138 V139 | H137-P169 WeakPolarHBondContact O-CG 3.15Å; L138-P169 HydrophobicContact CD1-CB 4.49Å; V139-P169 PolarHBondContact N-O 3.4Å | ||
| 170 | V | 81.9 | Confident | 70.4 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.5 | -176.2 | -173 | 0 | 0 | 0 | 0 | 110.3 | L125 V139 V141 F157 M168 M172 | L125-V170 HydrophobicContact CD1-CG1 4.27Å; L125-V170 HydrophobicContact CD2-CG1 4.12Å; L125-V170 HydrophobicContact CD2-CG2 4.38Å; V139-V170 HydrophobicContact CB-CG1 4.4Å; V139-V170 HydrophobicContact CB-CG2 4.31Å; V139-V170 WeakPolarHBondContact O-CA 3.33Å; V141-V170 HydrophobicContact CG2-CG1 3.72Å; F157-V170 HydrophobicContact CE2-CB 4.25Å; F157-V170 HydrophobicContact CE2-CG1 4.19Å; M168-V170 HydrophobicContact CE-CG2 3.64Å; M168-V170 HydrophobicContact CG-CG2 4.13Å; V170-M172 HydrophobicContact CG1-SD 4.46Å |
| 171 | V | 84.5 | Confident | 71.9 | Confident | 36 Ų | 36 | 68.2 Ų | 68.2 | 22% | 0.218 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.9 | 177 | 172.6 | 0 | 0 | 0 | 0 | 109.8 | L138 V139 L140 V141 L173 Y182 | L138-V171 HydrophobicContact CD1-CG2 3.91Å; V139-V171 PolarHBondContact O-N 3.29Å; L140-V171 HydrophobicContact CD2-CB 4.17Å; L140-V171 HydrophobicContact CD2-CG1 4.37Å; V141-V171 PolarHBondContact N-O 2.96Å; V171-L173 HydrophobicContact CG1-CD2 3.69Å; V171-L173 HydrophobicContact CG1-CG 4.48Å; V171-Y182 HydrophobicContact CG1-CE2 4.15Å |
| 172 | M | 82.5 | Confident | 73.4 | Confident | 31 Ų | 31 | 68.6 Ų | 68.6 | 15% | 0.153 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 109.2 | 178.5 | -61.1 | -62.8 | -64.7 | 0 | 0 | 110.2 | W118 I121 V141 R143 F157 V170 | W118-M172 HydrophobicContact CZ3-CE 4.21Å; I121-M172 HydrophobicContact CG2-CE 4.46Å; V141-M172 HydrophobicContact CB-CE 4.32Å; V141-M172 HydrophobicContact CB-SD 3.72Å; V141-M172 HydrophobicContact CG1-CE 3.99Å; V141-M172 HydrophobicContact CG1-SD 3.96Å; V141-M172 HydrophobicContact CG2-SD 3.98Å; R143-M172 HydrophobicContact CB-CE 3.94Å; F157-M172 HydrophobicContact CD1-CG 4.15Å; F157-M172 HydrophobicContact CD2-CG 3.68Å; F157-M172 HydrophobicContact CD2-SD 4.05Å; F157-M172 HydrophobicContact CE1-CG 4.25Å; F157-M172 HydrophobicContact CE2-CG 3.8Å; F157-M172 HydrophobicContact CE2-SD 4.26Å; F157-M172 HydrophobicContact CG-CG 3.87Å; F157-M172 HydrophobicContact CZ-CG 4.08Å; V170-M172 HydrophobicContact CG1-SD 4.46Å |
| 173 | L | 84 | Confident | 75.1 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 155.6 | -178.6 | -56.7 | 179.1 | 0 | 0 | 0 | 111.2 | L140 V141 L142 R143 V171 D178 L179 Y182 | L140-L173 HydrophobicContact CB-CD1 4.13Å; L140-L173 HydrophobicContact CD2-CD1 4.32Å; L140-L173 HydrophobicContact CD2-CD2 4.44Å; V141-L173 PolarHBondContact O-N 3.19Å; L142-L173 HydrophobicContact CD2-CB 4.17Å; L142-L173 HydrophobicContact CD2-CD1 4.05Å; R143-L173 WeakPolarHBondContact CD-O 3.35Å; R143-L173 VanDerWaalsContact CG-O 3.28Å; R143-L173 WeakPolarHBondContact CG-O 3.33Å; R143-L173 PolarHBondContact NE-O 3.49Å; V171-L173 HydrophobicContact CG1-CD2 3.69Å; V171-L173 HydrophobicContact CG1-CG 4.48Å; L173-D178 HydrophobicContact CB-CB 4.11Å; L173-D178 HydrophobicContact CD2-CB 3.83Å; L173-D178 HydrophobicContact CG-CB 4.39Å; L173-L179 HydrophobicContact CD1-CD2 3.36Å; L173-L179 HydrophobicContact CD1-CG 3.71Å; L173-Y182 HydrophobicContact CD2-CD2 4.25Å; L173-Y182 HydrophobicContact CD2-CE2 3.81Å |
| 174 | S | 77.8 | Confident | 76.5 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -108.9 | -20.9 | -179.9 | -61.7 | 0 | 0 | 0 | 0 | 113.5 | R143 R150 D178 | R143-S174 PolarHBondContact NH2-OG 3.13Å; R150-S174 PolarHBondContact NH2-OG 3.48Å; S174-D178 WeakPolarHBondContact CA-OD2 3.28Å; S174-D178 WeakPolarHBondContact CB-OD2 3.33Å; S174-D178 PolarHBondContact N-OD2 3.33Å |
| 175 | S | 81.4 | Confident | 78 | Confident | 46 Ų | 46 | 64.8 Ų | 64.8 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -145.9 | 163.2 | 169.3 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | T177 D178 | S175-T177 PolarHBondContact O-N 3.19Å; S175-T177 PolarHBondContact OG-OG1 3.32Å; S175-D178 PolarHBondContact N-OD2 3.24Å; S175-D178 WeakPolarHBondContact O-CB 3.19Å; S175-D178 PolarHBondContact O-N 3.39Å |
| 176 | V | 82.4 | Confident | 79.7 | Confident | 35 Ų | 35 | 63.8 Ų | 63.8 | 21% | 0.212 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -55.3 | -38.5 | 172.7 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | L142 D178 L179 F192 | L142-V176 HydrophobicContact CD1-CG2 4.37Å; L142-V176 HydrophobicContact CD2-CG2 4.41Å; V176-D178 PolarHBondContact O-N 3.07Å; V176-D178 VanDerWaalsContact O-N 3.14Å; V176-L179 HydrophobicContact CG1-CD1 4.37Å; V176-L179 VanDerWaalsContact O-CB 3.27Å; V176-L179 WeakPolarHBondContact O-CB 3.47Å; V176-L179 PolarHBondContact O-N 2.88Å; V176-F192 HydrophobicContact CG1-CB 4.37Å; V176-F192 WeakPolarHBondContact CG1-O 3.16Å |
| 177 | T | 83.1 | Confident | 81.4 | Confident | 94 Ų | 94 | 57.5 Ų | 57.5 | 58% | 0.577 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -65 | -10.2 | 175.1 | 50.3 | 0 | 0 | 0 | 0 | 115.3 | S175 L179 | S175-T177 PolarHBondContact O-N 3.19Å; S175-T177 PolarHBondContact OG-OG1 3.32Å; T177-L179 VanDerWaalsContact C-N 3.34Å |
| 178 | D | 85.1 | Confident | 82.9 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -77.5 | -18.3 | 168.9 | -65.9 | -47.4 | 0 | 0 | 0 | 112.1 | L173 S174 S175 V176 L180 R181 | L173-D178 HydrophobicContact CB-CB 4.11Å; L173-D178 HydrophobicContact CD2-CB 3.83Å; L173-D178 HydrophobicContact CG-CB 4.39Å; S174-D178 WeakPolarHBondContact CA-OD2 3.28Å; S174-D178 WeakPolarHBondContact CB-OD2 3.33Å; S174-D178 PolarHBondContact N-OD2 3.33Å; S175-D178 PolarHBondContact N-OD2 3.24Å; S175-D178 WeakPolarHBondContact O-CB 3.19Å; S175-D178 PolarHBondContact O-N 3.39Å; V176-D178 PolarHBondContact O-N 3.07Å; V176-D178 VanDerWaalsContact O-N 3.14Å; D178-L180 VanDerWaalsContact C-N 3.29Å; D178-L180 PolarHBondContact O-N 3.25Å; D178-R181 PolarHBondContact O-N 3.42Å; D178-R181 IonicContact OD1-CZ 3.79Å; D178-R181 IonicContact OD1-NH1 2.82Å; D178-R181 PolarHBondContact OD1-NH1 3.44Å; D178-R181 IonicContact OD1-NH2 2.81Å; D178-R181 PolarHBondContact OD1-NH2 3.26Å |
| 179 | L | 85.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -63 | -36.2 | 175 | -72.9 | 167.3 | 0 | 0 | 0 | 111.9 | I110 L140 L142 L173 V176 T177 R181 Y182 I183 L188 F192 | I110-L179 HydrophobicContact CG1-CD2 4.48Å; L140-L179 HydrophobicContact CB-CD2 4.05Å; L140-L179 HydrophobicContact CD1-CD2 3.92Å; L142-L179 HydrophobicContact CD1-CD1 4.2Å; L142-L179 HydrophobicContact CD2-CD1 4.18Å; L142-L179 HydrophobicContact CD2-CG 4.19Å; L173-L179 HydrophobicContact CD1-CD2 3.36Å; L173-L179 HydrophobicContact CD1-CG 3.71Å; V176-L179 HydrophobicContact CG1-CD1 4.37Å; V176-L179 VanDerWaalsContact O-CB 3.27Å; V176-L179 WeakPolarHBondContact O-CB 3.47Å; V176-L179 PolarHBondContact O-N 2.88Å; T177-L179 VanDerWaalsContact C-N 3.34Å; L179-R181 PolarHBondContact O-N 3.04Å; L179-Y182 PolarHBondContact O-N 3.13Å; L179-I183 PolarHBondContact O-N 3.4Å; L179-I183 VanDerWaalsContact O-N 3.11Å; L179-L188 HydrophobicContact CB-CD1 3.8Å; L179-L188 HydrophobicContact CD1-CD1 4.35Å; L179-F192 HydrophobicContact CD1-CB 3.87Å; L179-F192 HydrophobicContact CD1-CD1 4.06Å; L179-F192 HydrophobicContact CD1-CG 4.26Å |
| 180 | L | 84.5 | Confident | 84.4 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 39% | 0.387 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -67.1 | 10.3 | 178.5 | -61.1 | 171.8 | 0 | 0 | 0 | 113.9 | D178 I183 E185 L188 | D178-L180 VanDerWaalsContact C-N 3.29Å; D178-L180 PolarHBondContact O-N 3.25Å; L180-I183 WeakPolarHBondContact CA-O 3.49Å; L180-E185 HydrophobicContact CD2-CB 3.98Å; L180-E185 HydrophobicContact CD2-CG 4.3Å; L180-L188 HydrophobicContact CD2-CD1 3.9Å |
| 181 | R | 84.7 | Confident | 84.5 | Confident | 171 Ų | 171 | 54.4 Ų | 54.4 | 65% | 0.645 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -104.4 | -0.3 | 167 | -55.5 | -167.9 | -167.1 | 115.7 | 19.3 | 113.6 | D178 L179 | D178-R181 PolarHBondContact O-N 3.42Å; D178-R181 IonicContact OD1-CZ 3.79Å; D178-R181 IonicContact OD1-NH1 2.82Å; D178-R181 PolarHBondContact OD1-NH1 3.44Å; D178-R181 IonicContact OD1-NH2 2.81Å; D178-R181 PolarHBondContact OD1-NH2 3.26Å; L179-R181 PolarHBondContact O-N 3.04Å |
| 182 | Y | 85.3 | Confident | 84.6 | Confident | 90 Ų | 90 | 52.8 Ų | 52.8 | 35% | 0.353 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.4 | -20.6 | -174.3 | -62.3 | -80.9 | 0 | 0 | 0 | 113.2 | L138 L140 V171 L173 L179 | L138-Y182 HydrophobicContact CD2-CD1 4.17Å; L140-Y182 HydrophobicContact CD2-CD1 4.29Å; L140-Y182 HydrophobicContact CD2-CD2 3.84Å; L140-Y182 HydrophobicContact CD2-CE2 4.32Å; L140-Y182 HydrophobicContact CD2-CG 3.83Å; V171-Y182 HydrophobicContact CG1-CE2 4.15Å; L173-Y182 HydrophobicContact CD2-CD2 4.25Å; L173-Y182 HydrophobicContact CD2-CE2 3.81Å; L179-Y182 PolarHBondContact O-N 3.13Å |
| 183 | I | 88.3 | Confident | 84.5 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -144.9 | 135 | -177.8 | -56.3 | 167.3 | 0 | 0 | 0 | 107.8 | I70 I108 I110 L140 L179 L180 Q187 L188 | I70-I183 HydrophobicContact CD1-CD1 3.87Å; I70-I183 HydrophobicContact CD1-CG1 4.26Å; I70-I183 HydrophobicContact CD1-CG2 3.57Å; I70-I183 HydrophobicContact CG1-CD1 4.37Å; I108-I183 HydrophobicContact CG2-CD1 4.35Å; I110-I183 HydrophobicContact CD1-CD1 3.89Å; I110-I183 HydrophobicContact CG1-CD1 4.2Å; L140-I183 HydrophobicContact CD1-CD1 3.55Å; L140-I183 HydrophobicContact CD1-CG1 4.14Å; L179-I183 PolarHBondContact O-N 3.4Å; L179-I183 VanDerWaalsContact O-N 3.11Å; L180-I183 WeakPolarHBondContact CA-O 3.49Å; I183-Q187 HydrophobicContact CG2-CB 3.7Å; I183-L188 HydrophobicContact CB-CD1 4.37Å; I183-L188 HydrophobicContact CB-CD2 4.13Å; I183-L188 HydrophobicContact CB-CG 4.17Å; I183-L188 HydrophobicContact CD1-CD2 3.88Å; I183-L188 HydrophobicContact CG2-CD1 4.45Å; I183-L188 HydrophobicContact CG2-CD2 3.78Å; I183-L188 HydrophobicContact CG2-CG 3.75Å |
| 184 | D | 86.1 | Confident | 84.6 | Confident | 89 Ų | 89 | 53.5 Ų | 53.5 | 48% | 0.476 | 29% | 0.291 | S | S | . | . | trans | -64.9 | 153 | 178.1 | -71.5 | -61.6 | 0 | 0 | 0 | 113.6 | N186 Q187 L188 | D184-N186 VanDerWaalsContact C-N 3.27Å; D184-N186 WeakPolarHBondContact CB-OD1 3.35Å; D184-N186 PolarHBondContact O-N 3.33Å; D184-Q187 HydrophobicContact CB-CG 4.17Å; D184-Q187 PolarHBondContact O-N 3Å; D184-L188 PolarHBondContact O-N 3.49Å | ||
| 185 | E | 85.3 | Confident | 84.9 | Confident | 110 Ų | 110 | 56 Ų | 56 | 51% | 0.514 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -58.6 | -36.8 | -178.9 | -166.3 | -179.8 | 154.4 | 0 | 0 | 112.4 | L180 Q187 G194 T195 | L180-E185 HydrophobicContact CD2-CB 3.98Å; L180-E185 HydrophobicContact CD2-CG 4.3Å; E185-Q187 PolarHBondContact O-N 3.16Å; E185-G194 CarbonylContact O-C 3.43Å; E185-G194 WeakPolarHBondContact O-CA 3.13Å; E185-T195 HydrophobicContact CG-CG2 4.38Å; E185-T195 PolarHBondContact O-N 2.9Å; E185-T195 PolarHBondContact O-OG1 2.94Å |
| 186 | N | 84.3 | Confident | 85 | Confident | 67 Ų | 67 | 55 Ų | 55 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -79.1 | 1.1 | 177.5 | 69.5 | -17 | 0 | 0 | 0 | 114.3 | D184 T195 | D184-N186 VanDerWaalsContact C-N 3.27Å; D184-N186 WeakPolarHBondContact CB-OD1 3.35Å; D184-N186 PolarHBondContact O-N 3.33Å; N186-T195 WeakPolarHBondContact CA-OG1 3.46Å |
| 187 | Q | 86.3 | Confident | 84.9 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 12% | 0.117 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -111.5 | -3 | 177.4 | -59.1 | -60 | -47.7 | 0 | 0 | 112.9 | R63 I70 I183 D184 E185 | R63-Q187 WeakPolarHBondContact O-CB 3.16Å; R63-Q187 VanDerWaalsContact O-CG 3.23Å; R63-Q187 WeakPolarHBondContact O-CG 3.48Å; I70-Q187 HydrophobicContact CD1-CB 4.46Å; I183-Q187 HydrophobicContact CG2-CB 3.7Å; D184-Q187 HydrophobicContact CB-CG 4.17Å; D184-Q187 PolarHBondContact O-N 3Å; E185-Q187 PolarHBondContact O-N 3.16Å |
| 188 | L | 86.6 | Confident | 84.9 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -107.8 | 142.9 | 174.7 | -67.4 | 176.3 | 0 | 0 | 0 | 110.9 | I110 L179 L180 I183 D184 F192 G194 T195 L196 | I110-L188 HydrophobicContact CD1-CD2 3.57Å; L179-L188 HydrophobicContact CB-CD1 3.8Å; L179-L188 HydrophobicContact CD1-CD1 4.35Å; L180-L188 HydrophobicContact CD2-CD1 3.9Å; I183-L188 HydrophobicContact CB-CD1 4.37Å; I183-L188 HydrophobicContact CB-CD2 4.13Å; I183-L188 HydrophobicContact CB-CG 4.17Å; I183-L188 HydrophobicContact CD1-CD2 3.88Å; I183-L188 HydrophobicContact CG2-CD1 4.45Å; I183-L188 HydrophobicContact CG2-CD2 3.78Å; I183-L188 HydrophobicContact CG2-CG 3.75Å; D184-L188 PolarHBondContact O-N 3.49Å; L188-F192 HydrophobicContact CB-CB 4.4Å; L188-G194 CarbonylContact O-C 3.56Å; L188-G194 VanDerWaalsContact O-C 3.25Å; L188-G194 VanDerWaalsContact O-CA 3.24Å; L188-G194 WeakPolarHBondContact O-CA 3.22Å; L188-T195 PolarHBondContact O-N 3.31Å; L188-L196 WeakPolarHBondContact O-CB 3.49Å; L188-L196 PolarHBondContact O-N 3.21Å |
| 189 | T | 87.3 | Confident | 84.9 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -72.7 | 161.8 | 172.8 | 65.8 | 0 | 0 | 0 | 0 | 111 | E191 F192 G193 G194 L196 Y198 | T189-E191 PolarHBondContact O-N 2.67Å; T189-E191 VanDerWaalsContact O-N 3.17Å; T189-F192 CarbonylContact O-C 3.25Å; T189-F192 WeakPolarHBondContact O-CA 3.38Å; T189-F192 PolarHBondContact O-N 2.91Å; T189-F192 WeakPolarHBondContact OG1-CD2 3.06Å; T189-G193 PolarHBondContact O-N 2.87Å; T189-G194 PolarHBondContact O-N 3.42Å; T189-L196 HydrophobicContact CG2-CD2 4.41Å; T189-Y198 HydrophobicContact CG2-CD1 4.36Å; T189-Y198 HydrophobicContact CG2-CG 4.27Å |
| 190 | S | 85.9 | Confident | 85 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -57.5 | -29.8 | -178.1 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | F192 G193 G194 | S190-F192 PolarHBondContact O-N 3.15Å; S190-G193 PolarHBondContact O-N 3.27Å; S190-G194 WeakPolarHBondContact CA-O 3.44Å |
| 191 | E | 83.4 | Confident | 85 | Confident | 98 Ų | 98 | 60.4 Ų | 60.4 | 46% | 0.458 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -58 | -27.6 | 172.6 | -61.1 | 172.4 | -102.1 | 0 | 0 | 113.6 | Y58 T189 | Y58-E191 PolarHBondContact OH-OE1 3.24Å; T189-E191 PolarHBondContact O-N 2.67Å; T189-E191 VanDerWaalsContact O-N 3.17Å |
| 192 | F | 86.2 | Confident | 85 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -109.5 | 17.5 | 178.6 | -58.2 | -69 | 0 | 0 | 0 | 112.6 | T72 I110 D112 L142 V176 L179 L188 T189 S190 | T72-F192 HydrophobicContact CG2-CE2 3.69Å; T72-F192 HydrophobicContact CG2-CZ 3.8Å; I110-F192 HydrophobicContact CG2-CE1 4.34Å; D112-F192 HydrophobicContact CB-CE1 4.11Å; D112-F192 HydrophobicContact CB-CZ 4.36Å; L142-F192 HydrophobicContact CD1-CD1 3.65Å; L142-F192 HydrophobicContact CD1-CE1 3.64Å; V176-F192 HydrophobicContact CG1-CB 4.37Å; V176-F192 WeakPolarHBondContact CG1-O 3.16Å; L179-F192 HydrophobicContact CD1-CB 3.87Å; L179-F192 HydrophobicContact CD1-CD1 4.06Å; L179-F192 HydrophobicContact CD1-CG 4.26Å; L188-F192 HydrophobicContact CB-CB 4.4Å; T189-F192 CarbonylContact O-C 3.25Å; T189-F192 WeakPolarHBondContact O-CA 3.38Å; T189-F192 PolarHBondContact O-N 2.91Å; T189-F192 WeakPolarHBondContact OG1-CD2 3.06Å; S190-F192 PolarHBondContact O-N 3.15Å |
| 193 | G | 80.5 | Confident | 84.9 | Confident | 42 Ų | 42 | 54.6 Ų | 54.6 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 22.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T189 S190 | T189-G193 PolarHBondContact O-N 2.87Å; S190-G193 PolarHBondContact O-N 3.27Å |
| 194 | G | 86.1 | Confident | 84.8 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | trans | -106.6 | -172.4 | 172 | 0 | 0 | 0 | 0 | 0 | 114.2 | E185 L188 T189 S190 | E185-G194 CarbonylContact O-C 3.43Å; E185-G194 WeakPolarHBondContact O-CA 3.13Å; L188-G194 CarbonylContact O-C 3.56Å; L188-G194 VanDerWaalsContact O-C 3.25Å; L188-G194 VanDerWaalsContact O-CA 3.24Å; L188-G194 WeakPolarHBondContact O-CA 3.22Å; T189-G194 PolarHBondContact O-N 3.42Å; S190-G194 WeakPolarHBondContact CA-O 3.44Å | ||
| 195 | T | 84.4 | Confident | 84.8 | Confident | 94 Ų | 94 | 56.1 Ų | 56.1 | 58% | 0.577 | 32% | 0.322 | S | S | * | . | trans | -116.8 | 3.8 | -175 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | E185 N186 L188 D197 | E185-T195 HydrophobicContact CG-CG2 4.38Å; E185-T195 PolarHBondContact O-N 2.9Å; E185-T195 PolarHBondContact O-OG1 2.94Å; N186-T195 WeakPolarHBondContact CA-OG1 3.46Å; L188-T195 PolarHBondContact O-N 3.31Å; T195-D197 PolarHBondContact O-N 3.28Å | ||
| 196 | L | 83.4 | Confident | 84.7 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -66.5 | 119 | 175.4 | -176 | 66.4 | 0 | 0 | 0 | 110.7 | L188 T189 | L188-L196 WeakPolarHBondContact O-CB 3.49Å; L188-L196 PolarHBondContact O-N 3.21Å; T189-L196 HydrophobicContact CG2-CD2 4.41Å |
| 197 | D | 79.8 | Confident | 84.8 | Confident | 150 Ų | 150 | 50.1 Ų | 50.1 | 80% | 0.802 | 29% | 0.292 | S | S | * | . | trans | -75.7 | 125.4 | 173.5 | -169.6 | 18.7 | 0 | 0 | 0 | 110.7 | T195 | T195-D197 PolarHBondContact O-N 3.28Š| ||
| 198 | Y | 84.2 | Confident | 84.8 | Confident | 37 Ų | 37 | 52 Ų | 52 | 15% | 0.145 | 31% | 0.306 | C | S | . | . | trans | -149.8 | 113.9 | -177.8 | 177.6 | -104.8 | 0 | 0 | 0 | 110.9 | Y58 L59 T189 H200 W203 | Y58-Y198 HydrophobicContact CD2-CD1 4.19Å; Y58-Y198 AromaticContact CD2-CE1 3.36Å; Y58-Y198 HydrophobicContact CD2-CE1 3.36Å; Y58-Y198 AromaticContact CD2-CZ 3.62Å; Y58-Y198 AromaticContact CE2-CD1 3.85Å; Y58-Y198 HydrophobicContact CE2-CD1 3.85Å; Y58-Y198 AromaticContact CE2-CE1 3.45Å; Y58-Y198 HydrophobicContact CE2-CE1 3.45Å; Y58-Y198 VanDerWaalsContact CE2-CE1 3.45Å; Y58-Y198 HydrophobicContact CG-CE1 4.27Å; L59-Y198 VanDerWaalsContact O-CE2 3.29Å; L59-Y198 WeakPolarHBondContact O-CE2 3.28Å; L59-Y198 PolarHBondContact O-OH 3.3Å; T189-Y198 HydrophobicContact CG2-CD1 4.36Å; T189-Y198 HydrophobicContact CG2-CG 4.27Å; Y198-H200 HydrophobicContact CE1-CB 3.82Å; Y198-H200 AromaticContact CE1-ND1 3.99Å; Y198-H200 AromaticContact CZ-ND1 3.86Å; Y198-H200 PolarHBondContact OH-ND1 2.81Å; Y198-W203 HydrophobicContact CE2-CB 3.97Å; Y198-W203 AromaticContact CE2-CD1 3.93Å; Y198-W203 AromaticContact CE2-CG 3.95Å; Y198-W203 HydrophobicContact CE2-CG 3.95Å | ||
| 199 | C | 85.1 | Confident | 84.8 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 38% | 0.378 | 32% | 0.319 | S | S | . | . | trans | -107.2 | 112.5 | 171.6 | -172.1 | 0 | 0 | 0 | 0 | 110.3 | S201 D202 W203 | C199-S201 PolarHBondContact O-N 2.98Å; C199-S201 PolarHBondContact SG-OG 3.07Å; C199-D202 HydrophobicContact CB-CB 4Å; C199-D202 WeakPolarHBondContact CB-OD2 3.44Å; C199-D202 PolarHBondContact O-N 3.02Å; C199-D202 PolarHBondContact SG-OD2 2.99Å; C199-W203 PolarHBondContact O-N 2.96Å | ||
| 200 | H | 86.4 | Confident | 84.7 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 10% | 0.102 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.2 | -38 | -173.8 | -174.8 | 70.1 | 0 | 0 | 0 | 113.5 | I52 Q55 Y198 D202 I204 | I52-H200 PolarHBondContact O-CE1 2.92Å; I52-H200 PolarHBondContact O-NE2 2.79Å; Q55-H200 WeakPolarHBondContact CG-NE2 3.26Å; Y198-H200 HydrophobicContact CE1-CB 3.82Å; Y198-H200 AromaticContact CE1-ND1 3.99Å; Y198-H200 AromaticContact CZ-ND1 3.86Å; Y198-H200 PolarHBondContact OH-ND1 2.81Å; H200-D202 VanDerWaalsContact C-N 3.33Å; H200-I204 WeakPolarHBondContact NE2-CD1 3.3Å; H200-I204 WeakPolarHBondContact O-CG1 3.3Å; H200-I204 PolarHBondContact O-N 3.14Å; H200-I204 VanDerWaalsContact O-N 3.09Å |
| 201 | S | 86 | Confident | 84.7 | Confident | 67 Ų | 67 | 49.7 Ų | 49.7 | 47% | 0.469 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.2 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | C199 I204 V205 | C199-S201 PolarHBondContact O-N 2.98Å; C199-S201 PolarHBondContact SG-OG 3.07Å; S201-I204 PolarHBondContact O-N 3.22Å; S201-V205 WeakPolarHBondContact O-CG2 3.48Å; S201-V205 PolarHBondContact O-N 3.02Å |
| 202 | D | 83.3 | Confident | 84.9 | Confident | 96 Ų | 96 | 47.6 Ų | 47.6 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -76.3 | -34 | -172.8 | -54.9 | -8.8 | 0 | 0 | 0 | 109.8 | C199 H200 V205 L206 | C199-D202 HydrophobicContact CB-CB 4Å; C199-D202 WeakPolarHBondContact CB-OD2 3.44Å; C199-D202 PolarHBondContact O-N 3.02Å; C199-D202 PolarHBondContact SG-OD2 2.99Å; H200-D202 VanDerWaalsContact C-N 3.33Å; D202-V205 PolarHBondContact O-N 3.27Å; D202-L206 WeakPolarHBondContact O-CB 3.47Å; D202-L206 PolarHBondContact O-N 3.4Å |
| 203 | W | 85.1 | Confident | 85.1 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 16% | 0.163 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 166.6 | -173.8 | 92.1 | 0 | 0 | 0 | 111.9 | I52 Y93 L94 I97 Y198 C199 V205 L206 R207 | I52-W203 HydrophobicContact CG2-CZ3 3.97Å; Y93-W203 HydrophobicContact CE1-CH2 4.25Å; L94-W203 HydrophobicContact CD2-CH2 4.16Å; I97-W203 HydrophobicContact CD1-CH2 3.78Å; I97-W203 HydrophobicContact CD1-CZ2 3.66Å; Y198-W203 HydrophobicContact CE2-CB 3.97Å; Y198-W203 AromaticContact CE2-CD1 3.93Å; Y198-W203 AromaticContact CE2-CG 3.95Å; Y198-W203 HydrophobicContact CE2-CG 3.95Å; C199-W203 PolarHBondContact O-N 2.96Å; W203-V205 PolarHBondContact O-N 3.14Å; W203-L206 PolarHBondContact O-N 3.07Å; W203-R207 HydrophobicContact CH2-CG 4.42Å; W203-R207 WeakPolarHBondContact O-CB 3.36Å; W203-R207 PolarHBondContact O-N 3.25Å |
| 204 | I | 86 | Confident | 85.4 | Confident | 29 Ų | 29 | 45.5 Ų | 45.5 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 175.9 | -72.3 | 174.7 | 0 | 0 | 0 | 111 | I52 E53 H200 S201 T208 | I52-I204 HydrophobicContact CG2-CD1 4.12Å; I52-I204 HydrophobicContact CG2-CG1 4.14Å; E53-I204 HydrophobicContact CG-CD1 4.07Å; H200-I204 WeakPolarHBondContact NE2-CD1 3.3Å; H200-I204 WeakPolarHBondContact O-CG1 3.3Å; H200-I204 PolarHBondContact O-N 3.14Å; H200-I204 VanDerWaalsContact O-N 3.09Å; S201-I204 PolarHBondContact O-N 3.22Å; I204-T208 VanDerWaalsContact O-CB 3.27Å; I204-T208 WeakPolarHBondContact O-CB 3.24Å; I204-T208 PolarHBondContact O-N 3.31Å; I204-T208 PolarHBondContact O-OG1 3.41Å |
| 205 | V | 86.1 | Confident | 85.4 | Confident | 98 Ų | 98 | 48.1 Ų | 48.1 | 59% | 0.594 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.6 | -47.8 | -179.1 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | S201 D202 W203 T208 A209 | S201-V205 WeakPolarHBondContact O-CG2 3.48Å; S201-V205 PolarHBondContact O-N 3.02Å; D202-V205 PolarHBondContact O-N 3.27Å; W203-V205 PolarHBondContact O-N 3.14Å; V205-T208 PolarHBondContact O-N 3.18Å; V205-A209 WeakPolarHBondContact O-CB 3.4Å; V205-A209 PolarHBondContact O-N 2.96Å |
| 206 | L | 83.1 | Confident | 85.7 | Confident | 47 Ų | 47 | 45.3 Ų | 45.3 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 178.1 | -179.7 | 60.8 | 0 | 0 | 0 | 111.4 | D202 W203 T208 A209 I210 L271 L275 | D202-L206 WeakPolarHBondContact O-CB 3.47Å; D202-L206 PolarHBondContact O-N 3.4Å; W203-L206 PolarHBondContact O-N 3.07Å; L206-T208 PolarHBondContact O-N 2.97Å; L206-A209 WeakPolarHBondContact O-CB 2.92Å; L206-A209 PolarHBondContact O-N 3.11Å; L206-A209 VanDerWaalsContact O-N 3.17Å; L206-I210 HydrophobicContact CD1-CD1 4.05Å; L206-I210 HydrophobicContact CD1-CG1 4.46Å; L206-I210 HydrophobicContact CG-CD1 3.88Å; L206-I210 WeakPolarHBondContact O-CG1 3.18Å; L206-I210 PolarHBondContact O-N 2.82Å; L206-L271 HydrophobicContact CD1-CD1 3.87Å; L206-L275 HydrophobicContact CD1-CD2 3.94Å; L206-L275 HydrophobicContact CD1-CG 4.29Å; L206-L275 HydrophobicContact CD2-CD2 3.92Å; L206-L275 HydrophobicContact CG-CD2 4.44Å |
| 207 | R | 84.8 | Confident | 86.1 | Confident | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 178.9 | -169.3 | 71.6 | -150.2 | 158.8 | 4.5 | 112 | L45 Y93 W203 A209 I210 E211 D291 | L45-R207 HydrophobicContact CD2-CB 3.98Å; L45-R207 HydrophobicContact CD2-CG 3.93Å; Y93-R207 VanDerWaalsContact OH-CG 3.27Å; Y93-R207 WeakPolarHBondContact OH-CG 3.32Å; Y93-R207 PolarHBondContact OH-NE 3.25Å; W203-R207 HydrophobicContact CH2-CG 4.42Å; W203-R207 WeakPolarHBondContact O-CB 3.36Å; W203-R207 PolarHBondContact O-N 3.25Å; R207-A209 VanDerWaalsContact C-N 3.34Å; R207-A209 PolarHBondContact O-N 3.02Å; R207-I210 PolarHBondContact O-N 3.24Å; R207-E211 IonicContact CZ-OE1 3.88Å; R207-E211 IonicContact NE-OE1 3.42Å; R207-E211 PolarHBondContact NE-OE1 3.19Å; R207-E211 IonicContact NH2-OE1 3.39Å; R207-E211 PolarHBondContact NH2-OE1 3.35Å; R207-E211 PolarHBondContact O-N 2.93Å; R207-D291 IonicContact NH1-OD1 2.96Å; R207-D291 PolarHBondContact NH1-OD1 3.2Å; R207-D291 IonicContact NH1-OD2 3.84Å; R207-D291 PolarHBondContact NH1-OD2 3.2Å |
| 208 | T | 86.4 | Confident | 86.4 | Confident | 64 Ų | 64 | 40.5 Ų | 40.5 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 173.2 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | L45 I204 V205 L206 S212 | L45-T208 WeakPolarHBondContact CD2-OG1 3.3Å; I204-T208 VanDerWaalsContact O-CB 3.27Å; I204-T208 WeakPolarHBondContact O-CB 3.24Å; I204-T208 PolarHBondContact O-N 3.31Å; I204-T208 PolarHBondContact O-OG1 3.41Å; V205-T208 PolarHBondContact O-N 3.18Å; L206-T208 PolarHBondContact O-N 2.97Å; T208-S212 WeakPolarHBondContact O-CB 2.84Å; T208-S212 PolarHBondContact O-N 3.49Å |
| 209 | A | 87.1 | Confident | 86.6 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 30% | 0.298 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V205 L206 R207 S212 F213 L271 | V205-A209 WeakPolarHBondContact O-CB 3.4Å; V205-A209 PolarHBondContact O-N 2.96Å; L206-A209 WeakPolarHBondContact O-CB 2.92Å; L206-A209 PolarHBondContact O-N 3.11Å; L206-A209 VanDerWaalsContact O-N 3.17Å; R207-A209 VanDerWaalsContact C-N 3.34Å; R207-A209 PolarHBondContact O-N 3.02Å; A209-S212 PolarHBondContact O-N 3.13Å; A209-F213 VanDerWaalsContact O-CB 3.24Å; A209-F213 WeakPolarHBondContact O-CB 3.45Å; A209-F213 PolarHBondContact O-N 3.08Å; A209-L271 HydrophobicContact CB-CD1 3.89Å |
| 210 | I | 85.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.9 | -45.7 | 177.4 | -65.5 | 159.5 | 0 | 0 | 0 | 111.3 | L206 R207 F213 A214 L271 D291 V295 | L206-I210 HydrophobicContact CD1-CD1 4.05Å; L206-I210 HydrophobicContact CD1-CG1 4.46Å; L206-I210 HydrophobicContact CG-CD1 3.88Å; L206-I210 WeakPolarHBondContact O-CG1 3.18Å; L206-I210 PolarHBondContact O-N 2.82Å; R207-I210 PolarHBondContact O-N 3.24Å; I210-F213 PolarHBondContact O-N 3.49Å; I210-A214 WeakPolarHBondContact O-CB 3.32Å; I210-A214 PolarHBondContact O-N 3.39Å; I210-L271 HydrophobicContact CG1-CD1 4.16Å; I210-L271 HydrophobicContact CG1-CD2 3.91Å; I210-L271 HydrophobicContact CG1-CG 4.4Å; I210-D291 HydrophobicContact CD1-CB 3.78Å; I210-D291 WeakPolarHBondContact CD1-OD2 3.38Å; I210-V295 HydrophobicContact CG1-CG2 4.41Å |
| 211 | E | 85.9 | Confident | 86.9 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.3 | -37.3 | 178.3 | -72.1 | -177.9 | -166.3 | 0 | 0 | 112.1 | L45 Y93 R207 A214 V215 | L45-E211 WeakPolarHBondContact CB-OE2 3.1Å; L45-E211 PolarHBondContact N-OE2 2.83Å; Y93-E211 WeakPolarHBondContact CE2-OE1 3.13Å; Y93-E211 PolarHBondContact OH-OE1 2.66Å; R207-E211 IonicContact CZ-OE1 3.88Å; R207-E211 IonicContact NE-OE1 3.42Å; R207-E211 PolarHBondContact NE-OE1 3.19Å; R207-E211 IonicContact NH2-OE1 3.39Å; R207-E211 PolarHBondContact NH2-OE1 3.35Å; R207-E211 PolarHBondContact O-N 2.93Å; E211-A214 PolarHBondContact O-N 2.88Å; E211-V215 WeakPolarHBondContact O-CG2 3.34Å; E211-V215 PolarHBondContact O-N 3.33Å; E211-V215 VanDerWaalsContact O-N 3.11Å |
| 212 | S | 87.9 | Confident | 86.9 | Confident | 54 Ų | 54 | 40.6 Ų | 40.6 | 38% | 0.378 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62 | -48.4 | 172.7 | -173 | 0 | 0 | 0 | 0 | 111.7 | T208 A209 A214 V215 T216 | T208-S212 WeakPolarHBondContact O-CB 2.84Å; T208-S212 PolarHBondContact O-N 3.49Å; A209-S212 PolarHBondContact O-N 3.13Å; S212-A214 PolarHBondContact O-N 2.94Å; S212-V215 PolarHBondContact O-N 2.96Å; S212-V215 VanDerWaalsContact O-N 3.16Å; S212-T216 PolarHBondContact O-N 3.48Å |
| 213 | F | 90.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 177.7 | 174.6 | -107.5 | 0 | 0 | 0 | 112.1 | A209 I210 V215 T216 V217 V264 E267 G268 L271 V295 L298 L299 | A209-F213 VanDerWaalsContact O-CB 3.24Å; A209-F213 WeakPolarHBondContact O-CB 3.45Å; A209-F213 PolarHBondContact O-N 3.08Å; I210-F213 PolarHBondContact O-N 3.49Å; F213-V215 VanDerWaalsContact C-N 3.29Å; F213-V215 PolarHBondContact O-N 2.87Å; F213-T216 PolarHBondContact O-N 3.26Å; F213-T216 PolarHBondContact O-OG1 3.11Å; F213-T216 VanDerWaalsContact O-OG1 3.14Å; F213-V217 HydrophobicContact CD1-CG2 4.36Å; F213-V217 HydrophobicContact CD2-CG2 4.1Å; F213-V217 HydrophobicContact CE1-CG2 3.88Å; F213-V217 HydrophobicContact CE2-CG2 3.58Å; F213-V217 HydrophobicContact CG-CG2 4.45Å; F213-V217 HydrophobicContact CZ-CG2 3.45Å; F213-V217 VanDerWaalsContact CZ-CG2 3.45Å; F213-V217 WeakPolarHBondContact O-CB 3.06Å; F213-V217 VanDerWaalsContact O-CG2 3.24Å; F213-V217 WeakPolarHBondContact O-CG2 3.18Å; F213-V217 PolarHBondContact O-N 3.3Å; F213-V264 HydrophobicContact CD2-CG1 4Å; F213-V264 HydrophobicContact CE2-CG1 3.57Å; F213-V264 WeakPolarHBondContact CE2-O 3.5Å; F213-E267 HydrophobicContact CD2-CG 4.4Å; F213-G268 VanDerWaalsContact CE2-CA 3.43Å; F213-L271 HydrophobicContact CB-CD2 4.02Å; F213-L271 HydrophobicContact CD1-CD2 4.21Å; F213-L271 HydrophobicContact CG-CD2 4.21Å; F213-V295 HydrophobicContact CD1-CG1 4.17Å; F213-V295 HydrophobicContact CD1-CG2 4.37Å; F213-V295 HydrophobicContact CE1-CG1 3.81Å; F213-L298 HydrophobicContact CD1-CD1 4.15Å; F213-L298 HydrophobicContact CE1-CB 3.88Å; F213-L298 HydrophobicContact CE1-CD1 4.03Å; F213-L299 HydrophobicContact CE1-CG 4.43Å; F213-L299 HydrophobicContact CE2-CD2 4.26Å; F213-L299 HydrophobicContact CZ-CD2 3.74Å; F213-L299 HydrophobicContact CZ-CG 3.8Å |
| 214 | A | 86.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -36.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L36 V39 T40 I210 E211 S212 K218 L298 | L36-A214 HydrophobicContact CD2-CB 4.38Å; L36-A214 VanDerWaalsContact CD2-O 3.23Å; L36-A214 WeakPolarHBondContact CD2-O 3.26Å; V39-A214 HydrophobicContact CB-CB 4.25Å; V39-A214 HydrophobicContact CG1-CB 3.54Å; T40-A214 HydrophobicContact CG2-CB 4.32Å; I210-A214 WeakPolarHBondContact O-CB 3.32Å; I210-A214 PolarHBondContact O-N 3.39Å; E211-A214 PolarHBondContact O-N 2.88Å; S212-A214 PolarHBondContact O-N 2.94Å; A214-K218 WeakPolarHBondContact O-CB 3.09Å; A214-K218 PolarHBondContact O-N 2.84Å; A214-K218 VanDerWaalsContact O-N 3.1Å; A214-L298 HydrophobicContact CB-CD1 4.01Å |
| 215 | V | 87.3 | Confident | 86.9 | Confident | 65 Ų | 65 | 39.5 Ų | 39.5 | 39% | 0.394 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69.5 | -46.4 | 173.7 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | T40 E211 S212 F213 V217 K218 D219 | T40-V215 HydrophobicContact CG2-CG2 4.3Å; E211-V215 WeakPolarHBondContact O-CG2 3.34Å; E211-V215 PolarHBondContact O-N 3.33Å; E211-V215 VanDerWaalsContact O-N 3.11Å; S212-V215 PolarHBondContact O-N 2.96Å; S212-V215 VanDerWaalsContact O-N 3.16Å; F213-V215 VanDerWaalsContact C-N 3.29Å; F213-V215 PolarHBondContact O-N 2.87Å; V215-V217 VanDerWaalsContact C-N 3.31Å; V215-V217 PolarHBondContact O-N 3.03Å; V215-K218 WeakPolarHBondContact O-CA 3.34Å; V215-K218 WeakPolarHBondContact O-CB 3.31Å; V215-K218 PolarHBondContact O-N 3.15Å; V215-D219 VanDerWaalsContact O-CG 3.27Å; V215-D219 PolarHBondContact O-N 2.96Å |
| 216 | T | 90.7 | Very high | 86.6 | Confident | 36 Ų | 36 | 36.7 Ų | 36.7 | 22% | 0.221 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.3 | -33.8 | 179.4 | 61.1 | 0 | 0 | 0 | 0 | 112.8 | S212 F213 I220 | S212-T216 PolarHBondContact O-N 3.48Å; F213-T216 PolarHBondContact O-N 3.26Å; F213-T216 PolarHBondContact O-OG1 3.11Å; F213-T216 VanDerWaalsContact O-OG1 3.14Å; T216-I220 WeakPolarHBondContact O-CG1 2.92Å; T216-I220 PolarHBondContact O-N 3.05Å; T216-I220 VanDerWaalsContact O-N 3.1Å |
| 217 | V | 90.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 170.2 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | L32 F213 V215 A221 V264 L298 L302 | L32-V217 HydrophobicContact CD1-CG1 3.93Å; L32-V217 HydrophobicContact CD2-CG1 3.94Å; L32-V217 HydrophobicContact CG-CG1 4.49Å; F213-V217 HydrophobicContact CD1-CG2 4.36Å; F213-V217 HydrophobicContact CD2-CG2 4.1Å; F213-V217 HydrophobicContact CE1-CG2 3.88Å; F213-V217 HydrophobicContact CE2-CG2 3.58Å; F213-V217 HydrophobicContact CG-CG2 4.45Å; F213-V217 HydrophobicContact CZ-CG2 3.45Å; F213-V217 VanDerWaalsContact CZ-CG2 3.45Å; F213-V217 WeakPolarHBondContact O-CB 3.06Å; F213-V217 VanDerWaalsContact O-CG2 3.24Å; F213-V217 WeakPolarHBondContact O-CG2 3.18Å; F213-V217 PolarHBondContact O-N 3.3Å; V215-V217 VanDerWaalsContact C-N 3.31Å; V215-V217 PolarHBondContact O-N 3.03Å; V217-A221 WeakPolarHBondContact O-CB 3.42Å; V217-A221 PolarHBondContact O-N 2.83Å; V217-V264 HydrophobicContact CG2-CG1 3.7Å; V217-L298 HydrophobicContact CG1-CB 4.45Å; V217-L298 HydrophobicContact CG1-CD2 4.21Å; V217-L302 HydrophobicContact CG1-CB 4.47Å; V217-L302 HydrophobicContact CG2-CD2 4.35Å |
| 218 | K | 86.7 | Confident | 86.5 | Confident | 75 Ų | 75 | 35 Ų | 35 | 33% | 0.326 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.5 | -47.7 | 175 | -179.1 | 178.2 | 177.9 | -177.1 | 0 | 112 | L36 A214 V215 I220 A221 Q222 | L36-K218 HydrophobicContact CD1-CB 3.64Å; L36-K218 HydrophobicContact CD1-CG 3.88Å; L36-K218 HydrophobicContact CD2-CB 4.14Å; A214-K218 WeakPolarHBondContact O-CB 3.09Å; A214-K218 PolarHBondContact O-N 2.84Å; A214-K218 VanDerWaalsContact O-N 3.1Å; V215-K218 WeakPolarHBondContact O-CA 3.34Å; V215-K218 WeakPolarHBondContact O-CB 3.31Å; V215-K218 PolarHBondContact O-N 3.15Å; K218-I220 VanDerWaalsContact C-N 3.34Å; K218-I220 PolarHBondContact O-N 3.26Å; K218-A221 WeakPolarHBondContact O-CB 2.91Å; K218-A221 PolarHBondContact O-N 2.72Å; K218-Q222 WeakPolarHBondContact O-CG 3.42Å; K218-Q222 PolarHBondContact O-N 2.99Å |
| 219 | D | 89 | Confident | 86 | Confident | 75 Ų | 75 | 34.2 Ų | 34.2 | 40% | 0.401 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.2 | -41.7 | -177.4 | -63.3 | -17.9 | 0 | 0 | 0 | 111 | V215 Q222 M223 | V215-D219 VanDerWaalsContact O-CG 3.27Å; V215-D219 PolarHBondContact O-N 2.96Å; D219-Q222 PolarHBondContact O-N 3.48Å; D219-M223 WeakPolarHBondContact O-CG 3.39Å; D219-M223 PolarHBondContact O-N 3.26Å |
| 220 | I | 90.9 | Very high | 85.7 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 174.5 | -71.3 | 178.4 | 0 | 0 | 0 | 112 | T216 K218 M223 L224 L257 A260 I261 V264 L302 | T216-I220 WeakPolarHBondContact O-CG1 2.92Å; T216-I220 PolarHBondContact O-N 3.05Å; T216-I220 VanDerWaalsContact O-N 3.1Å; K218-I220 VanDerWaalsContact C-N 3.34Å; K218-I220 PolarHBondContact O-N 3.26Å; I220-M223 HydrophobicContact CB-CE 4.42Å; I220-M223 HydrophobicContact CG1-CE 3.84Å; I220-M223 PolarHBondContact O-N 3.22Å; I220-L224 HydrophobicContact CG2-CD1 4.06Å; I220-L224 WeakPolarHBondContact O-CG 3.13Å; I220-L224 PolarHBondContact O-N 2.89Å; I220-L257 HydrophobicContact CG2-CD1 4.36Å; I220-A260 HydrophobicContact CD1-CB 3.99Å; I220-A260 WeakPolarHBondContact CD1-O 3.19Å; I220-A260 HydrophobicContact CG1-CB 4.37Å; I220-I261 HydrophobicContact CG2-CD1 4.41Å; I220-I261 HydrophobicContact CG2-CG1 3.5Å; I220-I261 VanDerWaalsContact CG2-CG1 3.5Å; I220-V264 HydrophobicContact CD1-CB 3.71Å; I220-V264 HydrophobicContact CD1-CG1 4.34Å; I220-V264 HydrophobicContact CD1-CG2 3.41Å; I220-V264 VanDerWaalsContact CD1-CG2 3.41Å; I220-L302 HydrophobicContact CG2-CD1 3.76Å |
| 221 | A | 86.3 | Confident | 85.5 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L32 V217 K218 M223 L224 Q225 M305 | L32-A221 HydrophobicContact CD2-CB 3.36Å; V217-A221 WeakPolarHBondContact O-CB 3.42Å; V217-A221 PolarHBondContact O-N 2.83Å; K218-A221 WeakPolarHBondContact O-CB 2.91Å; K218-A221 PolarHBondContact O-N 2.72Å; A221-M223 VanDerWaalsContact C-N 3.34Å; A221-M223 PolarHBondContact O-N 2.83Å; A221-L224 WeakPolarHBondContact O-CB 3.3Å; A221-L224 PolarHBondContact O-N 3.38Å; A221-Q225 WeakPolarHBondContact O-CG 3.47Å; A221-Q225 PolarHBondContact O-N 3.01Å; A221-M305 HydrophobicContact CB-CE 3.75Å; A221-M305 HydrophobicContact CB-SD 3.7Å |
| 222 | Q | 85.8 | Confident | 84.6 | Confident | 99 Ų | 99 | 36.8 Ų | 36.8 | 46% | 0.463 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.8 | -35.8 | 174.1 | -70.8 | -173.5 | -19 | 0 | 0 | 111.9 | K218 D219 G226 | K218-Q222 WeakPolarHBondContact O-CG 3.42Å; K218-Q222 PolarHBondContact O-N 2.99Å; D219-Q222 PolarHBondContact O-N 3.48Å; Q222-G226 PolarHBondContact O-N 2.94Å |
| 223 | M | 88.4 | Confident | 83.6 | Confident | 95 Ų | 95 | 39 Ų | 39 | 47% | 0.468 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.5 | -39.2 | 171 | -71.9 | -172.9 | -70.4 | 0 | 0 | 112.8 | D219 I220 A221 F227 L257 | D219-M223 WeakPolarHBondContact O-CG 3.39Å; D219-M223 PolarHBondContact O-N 3.26Å; I220-M223 HydrophobicContact CB-CE 4.42Å; I220-M223 HydrophobicContact CG1-CE 3.84Å; I220-M223 PolarHBondContact O-N 3.22Å; A221-M223 VanDerWaalsContact C-N 3.34Å; A221-M223 PolarHBondContact O-N 2.83Å; M223-F227 VanDerWaalsContact O-CB 3.26Å; M223-F227 WeakPolarHBondContact O-CB 3.49Å; M223-F227 PolarHBondContact O-N 3.4Å; M223-L257 HydrophobicContact CB-CD1 3.8Å; M223-L257 HydrophobicContact CE-CD1 4.47Å |
| 224 | L | 85.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -47.7 | 174 | -79.9 | 163.4 | 0 | 0 | 0 | 112.2 | I220 A221 G228 L257 I261 L302 M305 F309 | I220-L224 HydrophobicContact CG2-CD1 4.06Å; I220-L224 WeakPolarHBondContact O-CG 3.13Å; I220-L224 PolarHBondContact O-N 2.89Å; A221-L224 WeakPolarHBondContact O-CB 3.3Å; A221-L224 PolarHBondContact O-N 3.38Å; L224-G228 PolarHBondContact O-N 3.33Å; L224-L257 HydrophobicContact CD2-CD2 3.61Å; L224-L257 HydrophobicContact CD2-CG 4.08Å; L224-L257 HydrophobicContact CG-CD1 4.39Å; L224-L257 HydrophobicContact CG-CD2 3.92Å; L224-L257 HydrophobicContact CG-CG 4.27Å; L224-I261 HydrophobicContact CD1-CD1 4.05Å; L224-I261 HydrophobicContact CD2-CD1 4.06Å; L224-I261 HydrophobicContact CG-CD1 4.35Å; L224-L302 HydrophobicContact CD1-CD1 4.38Å; L224-M305 HydrophobicContact CB-SD 4.07Å; L224-M305 HydrophobicContact CD1-CB 4.5Å; L224-M305 HydrophobicContact CD1-CG 4.07Å; L224-M305 HydrophobicContact CD1-SD 3.92Å; L224-F309 HydrophobicContact CD2-CB 3.66Å; L224-F309 HydrophobicContact CD2-CD1 3.34Å; L224-F309 HydrophobicContact CD2-CD2 4.15Å; L224-F309 HydrophobicContact CD2-CE1 4Å; L224-F309 HydrophobicContact CD2-CG 3.43Å; L224-F309 VanDerWaalsContact CD2-CG 3.43Å |
| 225 | Q | 80.9 | Confident | 81.7 | Confident | 49 Ų | 49 | 47.6 Ų | 47.6 | 23% | 0.229 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 176.6 | -69.7 | 175.6 | -60.9 | 0 | 0 | 111.8 | A221 G228 T229 | A221-Q225 WeakPolarHBondContact O-CG 3.47Å; A221-Q225 PolarHBondContact O-N 3.01Å; Q225-G228 PolarHBondContact O-N 3.38Å; Q225-T229 WeakPolarHBondContact O-CB 3.14Å; Q225-T229 PolarHBondContact O-N 2.94Å; Q225-T229 PolarHBondContact O-OG1 3.06Å |
| 226 | G | 79.2 | Confident | 81.1 | Confident | 40 Ų | 40 | 47 Ų | 47 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.1 | -48 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q222 T229 E230 | Q222-G226 PolarHBondContact O-N 2.94Å; G226-T229 WeakPolarHBondContact O-CB 3.18Å; G226-T229 PolarHBondContact O-N 3.12Å; G226-E230 PolarHBondContact O-N 2.99Å |
| 227 | F | 88.6 | Confident | 80.2 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.4 | -36.7 | 176.6 | -175.8 | -144 | 0 | 0 | 0 | 111.7 | M223 T229 E230 L231 H250 K253 L257 F309 F313 | M223-F227 VanDerWaalsContact O-CB 3.26Å; M223-F227 WeakPolarHBondContact O-CB 3.49Å; M223-F227 PolarHBondContact O-N 3.4Å; F227-T229 VanDerWaalsContact C-N 3.27Å; F227-T229 PolarHBondContact O-N 3.4Å; F227-E230 HydrophobicContact CD2-CB 4.27Å; F227-E230 WeakPolarHBondContact O-CB 3.33Å; F227-E230 PolarHBondContact O-N 3.33Å; F227-L231 HydrophobicContact CD1-CD1 4.48Å; F227-L231 HydrophobicContact CD2-CD1 4.35Å; F227-L231 HydrophobicContact CD2-CD2 4.4Å; F227-L231 HydrophobicContact CD2-CG 4.03Å; F227-L231 HydrophobicContact CE1-CD1 4.19Å; F227-L231 HydrophobicContact CE2-CD1 4.06Å; F227-L231 HydrophobicContact CE2-CD2 3.61Å; F227-L231 HydrophobicContact CE2-CG 3.71Å; F227-L231 HydrophobicContact CZ-CD1 3.95Å; F227-L231 HydrophobicContact CZ-CD2 3.85Å; F227-L231 HydrophobicContact CZ-CG 4.06Å; F227-L231 VanDerWaalsContact O-CG 3.25Å; F227-L231 WeakPolarHBondContact O-CG 3.46Å; F227-L231 PolarHBondContact O-N 3.34Å; F227-H250 HydrophobicContact CZ-CB 4.31Å; F227-H250 WeakPolarHBondContact CZ-O 3.28Å; F227-K253 HydrophobicContact CD1-CB 4.26Å; F227-K253 HydrophobicContact CD2-CB 4.41Å; F227-K253 HydrophobicContact CD2-CD 3.94Å; F227-K253 HydrophobicContact CE1-CB 3.7Å; F227-K253 HydrophobicContact CE2-CB 3.87Å; F227-K253 HydrophobicContact CE2-CD 3.65Å; F227-K253 HydrophobicContact CE2-CG 4.41Å; F227-K253 HydrophobicContact CZ-CB 3.5Å; F227-K253 VanDerWaalsContact CZ-CB 3.5Å; F227-K253 HydrophobicContact CZ-CD 4.19Å; F227-K253 HydrophobicContact CZ-CG 4.49Å; F227-L257 HydrophobicContact CD1-CD2 4.09Å; F227-F309 HydrophobicContact CD1-CE1 4.02Å; F227-F309 HydrophobicContact CD1-CE2 4.41Å; F227-F309 AromaticContact CD1-CZ 3.42Å; F227-F309 HydrophobicContact CD1-CZ 3.42Å; F227-F309 VanDerWaalsContact CD1-CZ 3.42Å; F227-F309 HydrophobicContact CE1-CE1 4.25Å; F227-F309 AromaticContact CE1-CZ 3.78Å; F227-F309 HydrophobicContact CE1-CZ 3.78Å; F227-F309 HydrophobicContact CG-CZ 4.19Å; F227-F313 HydrophobicContact CZ-CE2 4.37Å |
| 228 | G | 78.5 | Confident | 79.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.1 | -37.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L224 Q225 A232 | L224-G228 PolarHBondContact O-N 3.33Å; Q225-G228 PolarHBondContact O-N 3.38Å; G228-A232 WeakPolarHBondContact O-CB 3.3Å; G228-A232 PolarHBondContact O-N 2.86Å |
| 229 | T | 75.8 | Confident | 78.8 | Confident | 47 Ų | 47 | 55 Ų | 55 | 29% | 0.288 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.8 | -47.6 | 172.3 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | Y22 Q225 G226 F227 L231 A232 E233 | Y22-T229 PolarHBondContact OH-OG1 2.81Å; Q225-T229 WeakPolarHBondContact O-CB 3.14Å; Q225-T229 PolarHBondContact O-N 2.94Å; Q225-T229 PolarHBondContact O-OG1 3.06Å; G226-T229 WeakPolarHBondContact O-CB 3.18Å; G226-T229 PolarHBondContact O-N 3.12Å; F227-T229 VanDerWaalsContact C-N 3.27Å; F227-T229 PolarHBondContact O-N 3.4Å; T229-L231 VanDerWaalsContact C-N 3.31Å; T229-L231 PolarHBondContact O-N 2.92Å; T229-A232 CarbonylContact O-C 3.55Å; T229-A232 PolarHBondContact O-N 3.15Å; T229-E233 HydrophobicContact CG2-CG 3.95Å; T229-E233 WeakPolarHBondContact O-CB 3.38Å; T229-E233 VanDerWaalsContact O-CG 3.25Å; T229-E233 WeakPolarHBondContact O-CG 3.26Å; T229-E233 PolarHBondContact O-N 3.49Å |
| 230 | E | 80.4 | Confident | 78.4 | Confident | 77 Ų | 77 | 52.4 Ų | 52.4 | 36% | 0.36 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -52.7 | -47.4 | 176.3 | -171.1 | -172.6 | 161.4 | 0 | 0 | 112 | G226 F227 E233 A234 K253 | G226-E230 PolarHBondContact O-N 2.99Å; F227-E230 HydrophobicContact CD2-CB 4.27Å; F227-E230 WeakPolarHBondContact O-CB 3.33Å; F227-E230 PolarHBondContact O-N 3.33Å; E230-E233 PolarHBondContact O-N 3.39Å; E230-A234 PolarHBondContact O-N 3.38Å; E230-K253 IonicContact OE1-NZ 3.26Å; E230-K253 PolarHBondContact OE1-NZ 3.12Å; E230-K253 IonicContact OE2-NZ 3.8Å; E230-K253 PolarHBondContact OE2-NZ 3.44Å |
| 231 | L | 79.8 | Confident | 78.2 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 175.9 | -64 | 171.3 | 0 | 0 | 0 | 112.5 | F227 T229 E233 H250 F309 F312 F313 H316 | F227-L231 HydrophobicContact CD1-CD1 4.48Å; F227-L231 HydrophobicContact CD2-CD1 4.35Å; F227-L231 HydrophobicContact CD2-CD2 4.4Å; F227-L231 HydrophobicContact CD2-CG 4.03Å; F227-L231 HydrophobicContact CE1-CD1 4.19Å; F227-L231 HydrophobicContact CE2-CD1 4.06Å; F227-L231 HydrophobicContact CE2-CD2 3.61Å; F227-L231 HydrophobicContact CE2-CG 3.71Å; F227-L231 HydrophobicContact CZ-CD1 3.95Å; F227-L231 HydrophobicContact CZ-CD2 3.85Å; F227-L231 HydrophobicContact CZ-CG 4.06Å; F227-L231 VanDerWaalsContact O-CG 3.25Å; F227-L231 WeakPolarHBondContact O-CG 3.46Å; F227-L231 PolarHBondContact O-N 3.34Å; T229-L231 VanDerWaalsContact C-N 3.31Å; T229-L231 PolarHBondContact O-N 2.92Å; L231-E233 VanDerWaalsContact C-N 3.28Å; L231-E233 PolarHBondContact O-N 3.37Å; L231-H250 HydrophobicContact CD2-CB 4.06Å; L231-H250 WeakPolarHBondContact CD2-ND1 3.39Å; L231-F309 HydrophobicContact CD1-CE2 4Å; L231-F309 HydrophobicContact CD1-CZ 3.9Å; L231-F312 HydrophobicContact CB-CE1 3.86Å; L231-F312 HydrophobicContact CB-CZ 4.2Å; L231-F312 HydrophobicContact CD1-CE1 4.1Å; L231-F313 HydrophobicContact CD1-CD2 3.83Å; L231-F313 HydrophobicContact CD1-CE2 4.47Å; L231-H316 PolarHBondContact O-CE1 3.38Å; L231-H316 PolarHBondContact O-ND1 2.98Å |
| 232 | A | 68.6 | Low | 78.1 | Confident | 32 Ų | 32 | 60.7 Ų | 60.7 | 26% | 0.264 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.6 | -20.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y22 G228 T229 F312 | Y22-A232 HydrophobicContact CD2-CB 4.32Å; Y22-A232 HydrophobicContact CE1-CB 4.29Å; Y22-A232 HydrophobicContact CE2-CB 4.03Å; G228-A232 WeakPolarHBondContact O-CB 3.3Å; G228-A232 PolarHBondContact O-N 2.86Å; T229-A232 CarbonylContact O-C 3.55Å; T229-A232 PolarHBondContact O-N 3.15Å; A232-F312 HydrophobicContact CB-CZ 4.1Å |
| 233 | E | 66.8 | Low | 78.1 | Confident | 100 Ų | 100 | 56 Ų | 56 | 47% | 0.467 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -109.1 | -7.2 | -175.1 | -59.1 | -143.5 | 142.4 | 0 | 0 | 115.1 | T229 E230 L231 E235 K840 | T229-E233 HydrophobicContact CG2-CG 3.95Å; T229-E233 WeakPolarHBondContact O-CB 3.38Å; T229-E233 VanDerWaalsContact O-CG 3.25Å; T229-E233 WeakPolarHBondContact O-CG 3.26Å; T229-E233 PolarHBondContact O-N 3.49Å; E230-E233 PolarHBondContact O-N 3.39Å; L231-E233 VanDerWaalsContact C-N 3.28Å; L231-E233 PolarHBondContact O-N 3.37Å; E233-E235 PolarHBondContact O-N 3.47Å; E233-K840 HydrophobicContact CB-CD 4.37Å; E233-K840 HydrophobicContact CG-CD 4.02Å; E233-K840 WeakPolarHBondContact OE1-CE 3.22Å; E233-K840 IonicContact OE1-NZ 3.36Å; E233-K840 PolarHBondContact OE1-NZ 2.94Å; E233-K840 IonicContact OE2-NZ 2.86Å; E233-K840 PolarHBondContact OE2-NZ 2.87Å |
| 234 | A | 69.4 | Low | 78.2 | Confident | 34 Ų | 34 | 54.9 Ų | 54.9 | 28% | 0.281 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 117 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | E230 L236 | E230-A234 PolarHBondContact O-N 3.38Å; A234-L236 PolarHBondContact O-N 2.99Å |
| 235 | E | 67 | Low | 78.3 | Confident | 146 Ų | 146 | 60.9 Ų | 60.9 | 68% | 0.682 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 120.6 | 166 | -69.2 | -164.8 | 157.4 | 0 | 0 | 108.2 | E233 P237 K857 | E233-E235 PolarHBondContact O-N 3.47Å; E235-P237 WeakPolarHBondContact O-CD 3.4Å; E235-K857 IonicContact OE1-NZ 2.69Å; E235-K857 PolarHBondContact OE1-NZ 2.69Å |
| 236 | L | 73.9 | Confident | 78.7 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 27% | 0.272 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 123.9 | -178.5 | -63.9 | 176.3 | 0 | 0 | 0 | 111.4 | A234 I243 L246 L320 Y323 A837 | A234-L236 PolarHBondContact O-N 2.99Å; L236-I243 HydrophobicContact CB-CD1 4.25Å; L236-I243 HydrophobicContact CD2-CD1 4.02Å; L236-L246 HydrophobicContact CD2-CD2 4.33Å; L236-L320 HydrophobicContact CD2-CD1 3.92Å; L236-L320 HydrophobicContact CD2-CG 4.26Å; L236-Y323 HydrophobicContact CB-CE1 4.2Å; L236-Y323 HydrophobicContact CD1-CD1 4.33Å; L236-Y323 HydrophobicContact CD1-CD2 4.47Å; L236-Y323 HydrophobicContact CD1-CE1 4.41Å; L236-Y323 HydrophobicContact CD1-CG 4.37Å; L236-A837 HydrophobicContact CD1-CB 3.84Å |
| 237 | P | 73.3 | Confident | 79.2 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -65 | 150.8 | 169.6 | -24.1 | 35.3 | 0 | 0 | 0 | 113.4 | E235 E239 A242 Y323 | E235-P237 WeakPolarHBondContact O-CD 3.4Å; P237-E239 VanDerWaalsContact C-N 3.31Å; P237-A242 HydrophobicContact CB-CB 3.64Å; P237-A242 HydrophobicContact CG-CB 3.83Å; P237-Y323 WeakPolarHBondContact O-CE1 3.03Å; P237-Y323 PolarHBondContact O-OH 2.66Å |
| 238 | D | 69.1 | Low | 79.4 | Confident | 93 Ų | 93 | 65.5 Ų | 65.5 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -79 | -12.8 | 173.3 | -68.5 | -40.7 | 0 | 0 | 0 | 113.4 | K834 | D238-K834 WeakPolarHBondContact OD1-CD 3.48Å; D238-K834 WeakPolarHBondContact OD1-CE 3.15Å; D238-K834 IonicContact OD1-NZ 2.9Å; D238-K834 PolarHBondContact OD1-NZ 3.01Å; D238-K834 IonicContact OD2-NZ 2.63Å; D238-K834 PolarHBondContact OD2-NZ 2.92Å |
| 239 | E | 77.8 | Confident | 80 | Confident | 141 Ų | 141 | 68.8 Ų | 68.8 | 66% | 0.659 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -93 | 124.4 | -178 | -67.2 | -177.6 | -157.1 | 0 | 0 | 111.9 | P237 K241 A242 I243 | P237-E239 VanDerWaalsContact C-N 3.31Å; E239-K241 VanDerWaalsContact C-N 3.28Å; E239-K241 PolarHBondContact O-N 2.9Å; E239-A242 HydrophobicContact CB-CB 4.18Å; E239-A242 PolarHBondContact O-N 3.05Å; E239-I243 PolarHBondContact O-N 2.95Å; E239-I243 VanDerWaalsContact O-N 3.12Å |
| 240 | G | 80.6 | Confident | 80.8 | Confident | 21 Ų | 21 | 66.7 Ų | 66.7 | 22% | 0.216 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.2 | -39 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | A242 I243 E244 L324 | G240-A242 VanDerWaalsContact C-N 3.34Å; G240-A242 PolarHBondContact O-N 3.37Å; G240-I243 PolarHBondContact O-N 3.22Å; G240-E244 VanDerWaalsContact O-CG 3.32Å; G240-E244 WeakPolarHBondContact O-CG 3.34Å; G240-E244 PolarHBondContact O-N 2.92Å; G240-L324 WeakPolarHBondContact O-CD1 3.36Å |
| 241 | K | 86.1 | Confident | 81.5 | Confident | 158 Ų | 158 | 64.5 Ų | 64.5 | 69% | 0.687 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.2 | -35.6 | 176.9 | -68.7 | -177.1 | 179.3 | 177.7 | 0 | 113.2 | E239 E244 Q245 | E239-K241 VanDerWaalsContact C-N 3.28Å; E239-K241 PolarHBondContact O-N 2.9Å; K241-E244 PolarHBondContact O-N 3.19Å; K241-Q245 WeakPolarHBondContact O-CG 3.35Å; K241-Q245 PolarHBondContact O-N 3.03Å |
| 242 | A | 85.2 | Confident | 82.2 | Confident | 26 Ų | 26 | 67.7 Ų | 67.7 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.8 | -35.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P237 E239 G240 L246 | P237-A242 HydrophobicContact CB-CB 3.64Å; P237-A242 HydrophobicContact CG-CB 3.83Å; E239-A242 HydrophobicContact CB-CB 4.18Å; E239-A242 PolarHBondContact O-N 3.05Å; G240-A242 VanDerWaalsContact C-N 3.34Å; G240-A242 PolarHBondContact O-N 3.37Å; A242-L246 VanDerWaalsContact O-CB 3.28Å; A242-L246 WeakPolarHBondContact O-CB 3.43Å; A242-L246 PolarHBondContact O-N 3.09Å |
| 243 | I | 85.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 170.6 | -65.9 | -70.6 | 0 | 0 | 0 | 111.7 | L236 E239 G240 L246 L247 Y323 L324 L327 | L236-I243 HydrophobicContact CB-CD1 4.25Å; L236-I243 HydrophobicContact CD2-CD1 4.02Å; E239-I243 PolarHBondContact O-N 2.95Å; E239-I243 VanDerWaalsContact O-N 3.12Å; G240-I243 PolarHBondContact O-N 3.22Å; I243-L246 HydrophobicContact CD1-CD2 4.43Å; I243-L246 PolarHBondContact O-N 3.13Å; I243-L247 WeakPolarHBondContact O-CB 3.39Å; I243-L247 PolarHBondContact O-N 2.67Å; I243-Y323 HydrophobicContact CD1-CD1 3.66Å; I243-Y323 HydrophobicContact CD1-CE1 3.62Å; I243-Y323 HydrophobicContact CG1-CD1 3.91Å; I243-Y323 HydrophobicContact CG1-CE1 3.81Å; I243-Y323 HydrophobicContact CG2-CD1 4.43Å; I243-L324 HydrophobicContact CB-CD1 4.39Å; I243-L324 HydrophobicContact CG2-CB 3.87Å; I243-L324 HydrophobicContact CG2-CD1 4.23Å; I243-L324 HydrophobicContact CG2-CG 4.48Å; I243-L327 HydrophobicContact CG1-CD1 4.1Å |
| 244 | E | 88.9 | Confident | 84.7 | Confident | 72 Ų | 72 | 66.9 Ų | 66.9 | 34% | 0.336 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 174.5 | -73.6 | 162.1 | -158.8 | 0 | 0 | 111.9 | G240 K241 L247 E248 L324 R328 | G240-E244 VanDerWaalsContact O-CG 3.32Å; G240-E244 WeakPolarHBondContact O-CG 3.34Å; G240-E244 PolarHBondContact O-N 2.92Å; K241-E244 PolarHBondContact O-N 3.19Å; E244-L247 PolarHBondContact O-N 3.13Å; E244-E248 PolarHBondContact O-N 3.18Å; E244-L324 HydrophobicContact CG-CD1 3.92Å; E244-L324 HydrophobicContact CG-CD2 3.52Å; E244-L324 HydrophobicContact CG-CG 4.38Å; E244-R328 IonicContact OE1-CZ 3.79Å; E244-R328 IonicContact OE1-NE 3.36Å; E244-R328 PolarHBondContact OE1-NE 3.28Å; E244-R328 IonicContact OE1-NH2 2.86Å; E244-R328 PolarHBondContact OE1-NH2 3.24Å |
| 245 | Q | 89.6 | Confident | 86 | Confident | 126 Ų | 126 | 70 Ų | 70 | 59% | 0.589 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.2 | -40.1 | 176.3 | -71.6 | 173.1 | -3.4 | 0 | 0 | 112.9 | K241 L247 T249 | K241-Q245 WeakPolarHBondContact O-CG 3.35Å; K241-Q245 PolarHBondContact O-N 3.03Å; Q245-L247 VanDerWaalsContact C-N 3.34Å; Q245-T249 VanDerWaalsContact O-CB 3.29Å; Q245-T249 WeakPolarHBondContact O-CB 3.27Å; Q245-T249 PolarHBondContact O-N 3.01Å; Q245-T249 PolarHBondContact O-OG1 3.37Å |
| 246 | L | 88.1 | Confident | 87.3 | Confident | 39 Ų | 39 | 69 Ų | 69 | 20% | 0.204 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 175.2 | -174.9 | 68.6 | 0 | 0 | 0 | 110.7 | L236 A242 I243 T249 H250 L320 | L236-L246 HydrophobicContact CD2-CD2 4.33Å; A242-L246 VanDerWaalsContact O-CB 3.28Å; A242-L246 WeakPolarHBondContact O-CB 3.43Å; A242-L246 PolarHBondContact O-N 3.09Å; I243-L246 HydrophobicContact CD1-CD2 4.43Å; I243-L246 PolarHBondContact O-N 3.13Å; L246-T249 PolarHBondContact O-N 2.89Å; L246-H250 VanDerWaalsContact CD1-NE2 3.31Å; L246-H250 WeakPolarHBondContact CD1-NE2 3.41Å; L246-H250 WeakPolarHBondContact O-CB 3.33Å; L246-H250 PolarHBondContact O-CD2 3.41Å; L246-H250 PolarHBondContact O-N 2.97Å; L246-L320 HydrophobicContact CD2-CD2 4.14Å; L246-L320 HydrophobicContact CG-CD2 4.42Å |
| 247 | L | 89.9 | Confident | 88.2 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 11% | 0.105 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 179.9 | -171.8 | 153.7 | 0 | 0 | 0 | 111.8 | I243 E244 Q245 T249 H250 T251 L320 | I243-L247 WeakPolarHBondContact O-CB 3.39Å; I243-L247 PolarHBondContact O-N 2.67Å; E244-L247 PolarHBondContact O-N 3.13Å; Q245-L247 VanDerWaalsContact C-N 3.34Å; L247-T249 VanDerWaalsContact C-N 3.35Å; L247-T249 PolarHBondContact O-N 3.36Å; L247-H250 PolarHBondContact O-N 3.36Å; L247-T251 WeakPolarHBondContact O-CB 3.4Å; L247-T251 PolarHBondContact O-N 3.12Å; L247-T251 PolarHBondContact O-OG1 3Å; L247-T251 VanDerWaalsContact O-OG1 3.12Å; L247-L320 HydrophobicContact CD1-CB 4.31Å |
| 248 | E | 92.1 | Very high | 89.3 | Confident | 141 Ų | 141 | 66.1 Ų | 66.1 | 66% | 0.659 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59 | -45.6 | 172.8 | -178.5 | 172.1 | -149.2 | 0 | 0 | 111.5 | E244 H250 T251 E252 | E244-E248 PolarHBondContact O-N 3.18Å; E248-H250 PolarHBondContact O-N 2.75Å; E248-T251 PolarHBondContact O-N 3.01Å; E248-E252 VanDerWaalsContact O-CB 3.28Å; E248-E252 WeakPolarHBondContact O-CB 3.32Å; E248-E252 PolarHBondContact O-N 3.49Å |
| 249 | T | 92.5 | Very high | 90.5 | Very high | 69 Ų | 69 | 65.8 Ų | 65.8 | 42% | 0.423 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 178.3 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | Q245 L246 L247 E252 K253 | Q245-T249 VanDerWaalsContact O-CB 3.29Å; Q245-T249 WeakPolarHBondContact O-CB 3.27Å; Q245-T249 PolarHBondContact O-N 3.01Å; Q245-T249 PolarHBondContact O-OG1 3.37Å; L246-T249 PolarHBondContact O-N 2.89Å; L247-T249 VanDerWaalsContact C-N 3.35Å; L247-T249 PolarHBondContact O-N 3.36Å; T249-E252 PolarHBondContact O-N 3.37Å; T249-K253 WeakPolarHBondContact O-CG 3.45Å; T249-K253 PolarHBondContact O-N 3.19Å |
| 250 | H | 92.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 177.5 | -70.2 | -177.1 | 0 | 0 | 0 | 111.6 | F227 L231 L246 L247 E248 E252 K253 Y254 F313 H316 | F227-H250 HydrophobicContact CZ-CB 4.31Å; F227-H250 WeakPolarHBondContact CZ-O 3.28Å; L231-H250 HydrophobicContact CD2-CB 4.06Å; L231-H250 WeakPolarHBondContact CD2-ND1 3.39Å; L246-H250 VanDerWaalsContact CD1-NE2 3.31Å; L246-H250 WeakPolarHBondContact CD1-NE2 3.41Å; L246-H250 WeakPolarHBondContact O-CB 3.33Å; L246-H250 PolarHBondContact O-CD2 3.41Å; L246-H250 PolarHBondContact O-N 2.97Å; L247-H250 PolarHBondContact O-N 3.36Å; E248-H250 PolarHBondContact O-N 2.75Å; H250-E252 VanDerWaalsContact C-N 3.28Å; H250-E252 PolarHBondContact O-N 3.28Å; H250-K253 PolarHBondContact O-N 3.05Å; H250-Y254 WeakPolarHBondContact O-CB 3.46Å; H250-Y254 PolarHBondContact O-N 3.25Å; H250-F313 HydrophobicContact CB-CE2 4.39Å; H250-H316 AromaticContact CE1-NE2 3.99Å; H250-H316 AromaticContact ND1-NE2 3.69Å |
| 251 | T | 94.1 | Very high | 91.9 | Very high | 31 Ų | 31 | 59.5 Ų | 59.5 | 19% | 0.19 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -34.8 | 176.4 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | L247 E248 K255 H317 | L247-T251 WeakPolarHBondContact O-CB 3.4Å; L247-T251 PolarHBondContact O-N 3.12Å; L247-T251 PolarHBondContact O-OG1 3Å; L247-T251 VanDerWaalsContact O-OG1 3.12Å; E248-T251 PolarHBondContact O-N 3.01Å; T251-K255 WeakPolarHBondContact O-CG 3.38Å; T251-K255 PolarHBondContact O-N 3.21Å; T251-K255 VanDerWaalsContact O-N 3.11Å; T251-H317 PolarHBondContact OG1-CE1 3.35Å |
| 252 | E | 95 | Very high | 92.4 | Very high | 72 Ų | 72 | 58.2 Ų | 58.2 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -76 | -37.3 | 178.1 | -175.4 | 57.1 | -159.3 | 0 | 0 | 113.1 | E248 T249 H250 K255 K256 | E248-E252 VanDerWaalsContact O-CB 3.28Å; E248-E252 WeakPolarHBondContact O-CB 3.32Å; E248-E252 PolarHBondContact O-N 3.49Å; T249-E252 PolarHBondContact O-N 3.37Å; H250-E252 VanDerWaalsContact C-N 3.28Å; H250-E252 PolarHBondContact O-N 3.28Å; E252-K255 WeakPolarHBondContact OE2-CD 3.33Å; E252-K255 IonicContact OE2-NZ 3.35Å; E252-K255 PolarHBondContact OE2-NZ 2.93Å; E252-K255 VanDerWaalsContact OE2-NZ 3.11Å; E252-K256 VanDerWaalsContact CG-NZ 3.34Å; E252-K256 WeakPolarHBondContact O-CG 3.38Å; E252-K256 PolarHBondContact O-N 2.74Å; E252-K256 WeakPolarHBondContact OE1-CE 3.38Å; E252-K256 IonicContact OE1-NZ 2.97Å; E252-K256 PolarHBondContact OE1-NZ 3.41Å |
| 253 | K | 93.6 | Very high | 92.9 | Very high | 79 Ų | 79 | 60.7 Ų | 60.7 | 34% | 0.343 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 168.3 | -77.8 | -179.4 | 174.5 | -173.4 | 0 | 111.4 | F227 E230 T249 H250 K256 L257 | F227-K253 HydrophobicContact CD1-CB 4.26Å; F227-K253 HydrophobicContact CD2-CB 4.41Å; F227-K253 HydrophobicContact CD2-CD 3.94Å; F227-K253 HydrophobicContact CE1-CB 3.7Å; F227-K253 HydrophobicContact CE2-CB 3.87Å; F227-K253 HydrophobicContact CE2-CD 3.65Å; F227-K253 HydrophobicContact CE2-CG 4.41Å; F227-K253 HydrophobicContact CZ-CB 3.5Å; F227-K253 VanDerWaalsContact CZ-CB 3.5Å; F227-K253 HydrophobicContact CZ-CD 4.19Å; F227-K253 HydrophobicContact CZ-CG 4.49Å; E230-K253 IonicContact OE1-NZ 3.26Å; E230-K253 PolarHBondContact OE1-NZ 3.12Å; E230-K253 IonicContact OE2-NZ 3.8Å; E230-K253 PolarHBondContact OE2-NZ 3.44Å; T249-K253 WeakPolarHBondContact O-CG 3.45Å; T249-K253 PolarHBondContact O-N 3.19Å; H250-K253 PolarHBondContact O-N 3.05Å; K253-K256 PolarHBondContact O-N 3.07Å; K253-L257 WeakPolarHBondContact O-CB 3.34Å; K253-L257 PolarHBondContact O-N 3.1Å |
| 254 | Y | 95.3 | Very high | 93.3 | Very high | 35 Ų | 35 | 61.2 Ų | 61.2 | 14% | 0.137 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.1 | -52 | 177.2 | 175.3 | -114.8 | 0 | 0 | 0 | 112.2 | H250 K256 L257 K258 F309 D310 F313 | H250-Y254 WeakPolarHBondContact O-CB 3.46Å; H250-Y254 PolarHBondContact O-N 3.25Å; Y254-K256 PolarHBondContact O-N 3.16Å; Y254-L257 PolarHBondContact O-N 3.29Å; Y254-K258 HydrophobicContact CD2-CD 4.42Å; Y254-K258 HydrophobicContact CD2-CG 4.01Å; Y254-K258 HydrophobicContact CE1-CG 4.34Å; Y254-K258 HydrophobicContact CE2-CD 3.79Å; Y254-K258 HydrophobicContact CE2-CG 3.77Å; Y254-K258 HydrophobicContact CG-CG 4.38Å; Y254-K258 VanDerWaalsContact O-CG 3.25Å; Y254-K258 WeakPolarHBondContact O-CG 3.41Å; Y254-K258 PolarHBondContact O-N 3.46Å; Y254-F309 HydrophobicContact CD2-CD1 4.4Å; Y254-F309 AromaticContact CD2-CE1 3.88Å; Y254-F309 HydrophobicContact CD2-CE1 3.88Å; Y254-F309 HydrophobicContact CE2-CD1 4.43Å; Y254-F309 HydrophobicContact CE2-CE1 4.35Å; Y254-D310 PolarHBondContact OH-OD1 3.24Å; Y254-F313 AromaticContact CD1-CD1 3.98Å; Y254-F313 HydrophobicContact CD1-CD1 3.98Å; Y254-F313 AromaticContact CD1-CE1 3.63Å; Y254-F313 HydrophobicContact CD1-CE1 3.63Å; Y254-F313 HydrophobicContact CD1-CZ 4.03Å; Y254-F313 HydrophobicContact CD2-CB 4.38Å; Y254-F313 AromaticContact CD2-CD1 3.84Å; Y254-F313 HydrophobicContact CD2-CD1 3.84Å; Y254-F313 HydrophobicContact CD2-CD2 4.03Å; Y254-F313 HydrophobicContact CD2-CE1 4.17Å; Y254-F313 HydrophobicContact CD2-CE2 4.34Å; Y254-F313 AromaticContact CD2-CG 3.79Å; Y254-F313 HydrophobicContact CD2-CG 3.79Å; Y254-F313 HydrophobicContact CD2-CZ 4.41Å; Y254-F313 AromaticContact CE1-CD1 3.96Å; Y254-F313 HydrophobicContact CE1-CD1 3.96Å; Y254-F313 AromaticContact CE1-CE1 3.93Å; Y254-F313 HydrophobicContact CE1-CE1 3.93Å; Y254-F313 HydrophobicContact CE2-CB 4.25Å; Y254-F313 AromaticContact CE2-CD1 3.87Å; Y254-F313 HydrophobicContact CE2-CD1 3.87Å; Y254-F313 HydrophobicContact CE2-CE1 4.48Å; Y254-F313 AromaticContact CE2-CG 3.99Å; Y254-F313 HydrophobicContact CE2-CG 3.99Å; Y254-F313 AromaticContact CG-CD1 3.91Å; Y254-F313 HydrophobicContact CG-CD1 3.91Å; Y254-F313 HydrophobicContact CG-CD2 4.21Å; Y254-F313 AromaticContact CG-CE1 3.74Å; Y254-F313 HydrophobicContact CG-CE1 3.74Å; Y254-F313 HydrophobicContact CG-CE2 4.05Å; Y254-F313 HydrophobicContact CG-CG 4.16Å; Y254-F313 AromaticContact CG-CZ 3.82Å; Y254-F313 HydrophobicContact CG-CZ 3.82Å; Y254-F313 AromaticContact CZ-CD1 3.89Å |
| 255 | K | 95 | Very high | 93.5 | Very high | 101 Ų | 101 | 58.4 Ų | 58.4 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -53.4 | -51 | 177.2 | -70.6 | 167.2 | -163 | 155.9 | 0 | 112.5 | T251 E252 L257 K258 D259 | T251-K255 WeakPolarHBondContact O-CG 3.38Å; T251-K255 PolarHBondContact O-N 3.21Å; T251-K255 VanDerWaalsContact O-N 3.11Å; E252-K255 WeakPolarHBondContact OE2-CD 3.33Å; E252-K255 IonicContact OE2-NZ 3.35Å; E252-K255 PolarHBondContact OE2-NZ 2.93Å; E252-K255 VanDerWaalsContact OE2-NZ 3.11Å; K255-L257 VanDerWaalsContact C-N 3.31Å; K255-L257 PolarHBondContact O-N 3.08Å; K255-K258 CarbonylContact O-C 3.58Å; K255-K258 PolarHBondContact O-N 3.15Å; K255-K258 VanDerWaalsContact O-N 3.16Å; K255-D259 PolarHBondContact O-N 2.95Å |
| 256 | K | 94.1 | Very high | 93.7 | Very high | 123 Ų | 123 | 59.5 Ų | 59.5 | 54% | 0.535 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.8 | -41.2 | -179.7 | -75.7 | 170.1 | 166.7 | 119.6 | 0 | 112.2 | E252 K253 Y254 D259 A260 | E252-K256 VanDerWaalsContact CG-NZ 3.34Å; E252-K256 WeakPolarHBondContact O-CG 3.38Å; E252-K256 PolarHBondContact O-N 2.74Å; E252-K256 WeakPolarHBondContact OE1-CE 3.38Å; E252-K256 IonicContact OE1-NZ 2.97Å; E252-K256 PolarHBondContact OE1-NZ 3.41Å; K253-K256 PolarHBondContact O-N 3.07Å; Y254-K256 PolarHBondContact O-N 3.16Å; K256-D259 PolarHBondContact O-N 2.99Å; K256-A260 PolarHBondContact O-N 3.28Å |
| 257 | L | 94.2 | Very high | 93.9 | Very high | 13 Ų | 13 | 61.3 Ų | 61.3 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.6 | -40.5 | 177.2 | -170.1 | 53.3 | 0 | 0 | 0 | 111.7 | I220 M223 L224 F227 K253 Y254 K255 D259 A260 I261 F309 | I220-L257 HydrophobicContact CG2-CD1 4.36Å; M223-L257 HydrophobicContact CB-CD1 3.8Å; M223-L257 HydrophobicContact CE-CD1 4.47Å; L224-L257 HydrophobicContact CD2-CD2 3.61Å; L224-L257 HydrophobicContact CD2-CG 4.08Å; L224-L257 HydrophobicContact CG-CD1 4.39Å; L224-L257 HydrophobicContact CG-CD2 3.92Å; L224-L257 HydrophobicContact CG-CG 4.27Å; F227-L257 HydrophobicContact CD1-CD2 4.09Å; K253-L257 WeakPolarHBondContact O-CB 3.34Å; K253-L257 PolarHBondContact O-N 3.1Å; Y254-L257 PolarHBondContact O-N 3.29Å; K255-L257 VanDerWaalsContact C-N 3.31Å; K255-L257 PolarHBondContact O-N 3.08Å; L257-D259 VanDerWaalsContact C-N 3.33Å; L257-D259 PolarHBondContact O-N 2.72Å; L257-A260 PolarHBondContact O-N 3.01Å; L257-I261 HydrophobicContact CG-CD1 4.22Å; L257-I261 WeakPolarHBondContact O-CD1 3.35Å; L257-I261 VanDerWaalsContact O-CG1 3.27Å; L257-I261 WeakPolarHBondContact O-CG1 3.44Å; L257-I261 PolarHBondContact O-N 3.38Å; L257-F309 HydrophobicContact CD2-CE1 4.09Å |
| 258 | K | 94.9 | Very high | 94.1 | Very high | 26 Ų | 26 | 60.3 Ų | 60.3 | 11% | 0.113 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.9 | -34 | 173.5 | -62.1 | -72.8 | -83.9 | 177.1 | 0 | 112.3 | Y254 K255 I261 R262 E306 D310 | Y254-K258 HydrophobicContact CD2-CD 4.42Å; Y254-K258 HydrophobicContact CD2-CG 4.01Å; Y254-K258 HydrophobicContact CE1-CG 4.34Å; Y254-K258 HydrophobicContact CE2-CD 3.79Å; Y254-K258 HydrophobicContact CE2-CG 3.77Å; Y254-K258 HydrophobicContact CG-CG 4.38Å; Y254-K258 VanDerWaalsContact O-CG 3.25Å; Y254-K258 WeakPolarHBondContact O-CG 3.41Å; Y254-K258 PolarHBondContact O-N 3.46Å; K255-K258 CarbonylContact O-C 3.58Å; K255-K258 PolarHBondContact O-N 3.15Å; K255-K258 VanDerWaalsContact O-N 3.16Å; K258-I261 HydrophobicContact CD-CD1 4.44Å; K258-R262 VanDerWaalsContact C-NH2 3.31Å; K258-R262 WeakPolarHBondContact O-CB 3.34Å; K258-R262 WeakPolarHBondContact O-CG 3.34Å; K258-R262 PolarHBondContact O-N 3.28Å; K258-R262 PolarHBondContact O-NE 3.25Å; K258-R262 VanDerWaalsContact O-NE 3.14Å; K258-R262 PolarHBondContact O-NH2 3.17Å; K258-E306 HydrophobicContact CD-CG 4.44Å; K258-E306 WeakPolarHBondContact CE-OE1 3.43Å; K258-E306 VanDerWaalsContact NZ-CG 3.25Å; K258-E306 IonicContact NZ-OE1 3.81Å; K258-E306 PolarHBondContact NZ-OE1 3.39Å; K258-D310 VanDerWaalsContact CE-OD1 3.3Å; K258-D310 WeakPolarHBondContact CE-OD1 3.21Å; K258-D310 IonicContact NZ-OD1 2.89Å; K258-D310 PolarHBondContact NZ-OD1 3.06Å; K258-D310 IonicContact NZ-OD2 2.66Å; K258-D310 PolarHBondContact NZ-OD2 3.5Å |
| 259 | D | 94.8 | Very high | 94.1 | Very high | 85 Ų | 85 | 60.5 Ų | 60.5 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 172.6 | -69.8 | -31.1 | 0 | 0 | 0 | 111.2 | K255 K256 L257 R262 S263 | K255-D259 PolarHBondContact O-N 2.95Å; K256-D259 PolarHBondContact O-N 2.99Å; L257-D259 VanDerWaalsContact C-N 3.33Å; L257-D259 PolarHBondContact O-N 2.72Å; D259-R262 PolarHBondContact O-N 3.04Å; D259-R262 IonicContact OD1-CZ 3.34Å; D259-R262 IonicContact OD1-NH1 3.26Å; D259-R262 PolarHBondContact OD1-NH1 3.33Å; D259-R262 IonicContact OD1-NH2 2.69Å; D259-R262 PolarHBondContact OD1-NH2 2.91Å; D259-S263 PolarHBondContact O-N 3.29Å |
| 260 | A | 94.4 | Very high | 94 | Very high | 31 Ų | 31 | 63.1 Ų | 63.1 | 26% | 0.256 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I220 K256 L257 R262 S263 V264 | I220-A260 HydrophobicContact CD1-CB 3.99Å; I220-A260 WeakPolarHBondContact CD1-O 3.19Å; I220-A260 HydrophobicContact CG1-CB 4.37Å; K256-A260 PolarHBondContact O-N 3.28Å; L257-A260 PolarHBondContact O-N 3.01Å; A260-R262 VanDerWaalsContact C-N 3.33Å; A260-R262 PolarHBondContact O-N 3.35Å; A260-S263 WeakPolarHBondContact O-CB 3.33Å; A260-S263 PolarHBondContact O-N 3.16Å; A260-S263 VanDerWaalsContact O-N 3.09Å; A260-V264 PolarHBondContact O-N 3.38Å |
| 261 | I | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59 | -44 | 176.3 | -65 | 157.5 | 0 | 0 | 0 | 110.8 | I220 L224 L257 K258 S263 S265 L302 E306 | I220-I261 HydrophobicContact CG2-CD1 4.41Å; I220-I261 HydrophobicContact CG2-CG1 3.5Å; I220-I261 VanDerWaalsContact CG2-CG1 3.5Å; L224-I261 HydrophobicContact CD1-CD1 4.05Å; L224-I261 HydrophobicContact CD2-CD1 4.06Å; L224-I261 HydrophobicContact CG-CD1 4.35Å; L257-I261 HydrophobicContact CG-CD1 4.22Å; L257-I261 WeakPolarHBondContact O-CD1 3.35Å; L257-I261 VanDerWaalsContact O-CG1 3.27Å; L257-I261 WeakPolarHBondContact O-CG1 3.44Å; L257-I261 PolarHBondContact O-N 3.38Å; K258-I261 HydrophobicContact CD-CD1 4.44Å; I261-S263 VanDerWaalsContact C-N 3.29Å; I261-S263 PolarHBondContact O-N 2.82Å; I261-S265 WeakPolarHBondContact O-CB 3.48Å; I261-S265 PolarHBondContact O-N 2.93Å; I261-S265 PolarHBondContact O-OG 3Å; I261-L302 HydrophobicContact CG2-CD2 4.4Å; I261-L302 HydrophobicContact CG2-CG 4.32Å; I261-E306 HydrophobicContact CD1-CB 4.34Å; I261-E306 HydrophobicContact CD1-CG 4.17Å; I261-E306 HydrophobicContact CG2-CB 4.37Å; I261-E306 HydrophobicContact CG2-CG 4.29Å; I261-E306 WeakPolarHBondContact CG2-OE2 3.31Å |
| 262 | R | 95.6 | Very high | 93.6 | Very high | 131 Ų | 131 | 62.8 Ų | 62.8 | 49% | 0.494 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.7 | -31.3 | 176.5 | -79.3 | -179.6 | -87.3 | 108.2 | -0.5 | 112.9 | K258 D259 A260 K266 | K258-R262 VanDerWaalsContact C-NH2 3.31Å; K258-R262 WeakPolarHBondContact O-CB 3.34Å; K258-R262 WeakPolarHBondContact O-CG 3.34Å; K258-R262 PolarHBondContact O-N 3.28Å; K258-R262 PolarHBondContact O-NE 3.25Å; K258-R262 VanDerWaalsContact O-NE 3.14Å; K258-R262 PolarHBondContact O-NH2 3.17Å; D259-R262 PolarHBondContact O-N 3.04Å; D259-R262 IonicContact OD1-CZ 3.34Å; D259-R262 IonicContact OD1-NH1 3.26Å; D259-R262 PolarHBondContact OD1-NH1 3.33Å; D259-R262 IonicContact OD1-NH2 2.69Å; D259-R262 PolarHBondContact OD1-NH2 2.91Å; A260-R262 VanDerWaalsContact C-N 3.33Å; A260-R262 PolarHBondContact O-N 3.35Å; R262-K266 PolarHBondContact O-N 3.08Å |
| 263 | S | 94.9 | Very high | 93.2 | Very high | 77 Ų | 77 | 62.1 Ų | 62.1 | 54% | 0.538 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.9 | -57.6 | 174.2 | -165.2 | 0 | 0 | 0 | 0 | 111.9 | D259 A260 I261 S265 K266 E267 | D259-S263 PolarHBondContact O-N 3.29Å; A260-S263 WeakPolarHBondContact O-CB 3.33Å; A260-S263 PolarHBondContact O-N 3.16Å; A260-S263 VanDerWaalsContact O-N 3.09Å; I261-S263 VanDerWaalsContact C-N 3.29Å; I261-S263 PolarHBondContact O-N 2.82Å; S263-S265 VanDerWaalsContact C-N 3.3Å; S263-S265 PolarHBondContact O-N 3.43Å; S263-K266 WeakPolarHBondContact O-CA 3.46Å; S263-K266 VanDerWaalsContact O-CB 3.29Å; S263-K266 WeakPolarHBondContact O-CB 3.43Å; S263-K266 PolarHBondContact O-N 2.98Å; S263-E267 PolarHBondContact O-N 3.25Å |
| 264 | V | 94.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -34.9 | -179.1 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | F213 V217 I220 A260 K266 E267 G268 L302 | F213-V264 HydrophobicContact CD2-CG1 4Å; F213-V264 HydrophobicContact CE2-CG1 3.57Å; F213-V264 WeakPolarHBondContact CE2-O 3.5Å; V217-V264 HydrophobicContact CG2-CG1 3.7Å; I220-V264 HydrophobicContact CD1-CB 3.71Å; I220-V264 HydrophobicContact CD1-CG1 4.34Å; I220-V264 HydrophobicContact CD1-CG2 3.41Å; I220-V264 VanDerWaalsContact CD1-CG2 3.41Å; A260-V264 PolarHBondContact O-N 3.38Å; V264-K266 PolarHBondContact O-N 2.89Å; V264-E267 WeakPolarHBondContact O-CB 3.42Å; V264-E267 PolarHBondContact O-N 3.34Å; V264-G268 PolarHBondContact O-N 3.29Å; V264-L302 HydrophobicContact CG1-CD2 4.15Å |
| 265 | S | 94.2 | Very high | 91.9 | Very high | 13 Ų | 13 | 60.1 Ų | 60.1 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -26.1 | 171.4 | -62.3 | 0 | 0 | 0 | 0 | 113.4 | I261 S263 R269 | I261-S265 WeakPolarHBondContact O-CB 3.48Å; I261-S265 PolarHBondContact O-N 2.93Å; I261-S265 PolarHBondContact O-OG 3Å; S263-S265 VanDerWaalsContact C-N 3.3Å; S263-S265 PolarHBondContact O-N 3.43Å; S265-R269 WeakPolarHBondContact O-CG 3.25Å; S265-R269 PolarHBondContact O-N 3.4Å; S265-R269 PolarHBondContact O-NE 2.86Å; S265-R269 PolarHBondContact O-NH1 3.14Å; S265-R269 PolarHBondContact O-NH2 3.23Å |
| 266 | K | 93.2 | Very high | 90.9 | Very high | 150 Ų | 150 | 60.1 Ų | 60.1 | 65% | 0.652 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -79.7 | -40.1 | 173.3 | -176 | -169.9 | 171.9 | -167.6 | 0 | 111.2 | R262 S263 V264 R269 H270 | R262-K266 PolarHBondContact O-N 3.08Å; S263-K266 WeakPolarHBondContact O-CA 3.46Å; S263-K266 VanDerWaalsContact O-CB 3.29Å; S263-K266 WeakPolarHBondContact O-CB 3.43Å; S263-K266 PolarHBondContact O-N 2.98Å; V264-K266 PolarHBondContact O-N 2.89Å; K266-R269 PolarHBondContact O-N 3.17Å; K266-H270 PolarHBondContact O-N 3.44Å; K266-H270 VanDerWaalsContact O-N 3.08Å |
| 267 | E | 92.6 | Very high | 89.5 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.5 | -54.3 | 174.1 | -175 | -177.6 | 174.6 | 0 | 0 | 111.1 | F213 S263 V264 R269 H270 L271 | F213-E267 HydrophobicContact CD2-CG 4.4Å; S263-E267 PolarHBondContact O-N 3.25Å; V264-E267 WeakPolarHBondContact O-CB 3.42Å; V264-E267 PolarHBondContact O-N 3.34Å; E267-R269 VanDerWaalsContact C-N 3.32Å; E267-R269 PolarHBondContact O-N 2.71Å; E267-H270 WeakPolarHBondContact O-CA 3.44Å; E267-H270 WeakPolarHBondContact O-CB 3.37Å; E267-H270 PolarHBondContact O-N 2.66Å; E267-L271 PolarHBondContact O-N 3.2Å |
| 268 | G | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -37.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F213 V264 H270 L271 L272 | F213-G268 VanDerWaalsContact CE2-CA 3.43Å; V264-G268 PolarHBondContact O-N 3.29Å; G268-H270 VanDerWaalsContact C-N 3.32Å; G268-H270 PolarHBondContact O-N 2.67Å; G268-L271 WeakPolarHBondContact O-CB 3.42Å; G268-L271 PolarHBondContact O-N 3.16Å; G268-L272 WeakPolarHBondContact O-CG 3.23Å; G268-L272 PolarHBondContact O-N 2.92Å |
| 269 | R | 92.3 | Very high | 85.7 | Confident | 145 Ų | 145 | 63 Ų | 63 | 55% | 0.547 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66 | -32 | 173.6 | -77.6 | -173.4 | -60.4 | -95.6 | -1.7 | 113.2 | S265 K266 E267 S273 L299 | S265-R269 WeakPolarHBondContact O-CG 3.25Å; S265-R269 PolarHBondContact O-N 3.4Å; S265-R269 PolarHBondContact O-NE 2.86Å; S265-R269 PolarHBondContact O-NH1 3.14Å; S265-R269 PolarHBondContact O-NH2 3.23Å; K266-R269 PolarHBondContact O-N 3.17Å; E267-R269 VanDerWaalsContact C-N 3.32Å; E267-R269 PolarHBondContact O-N 2.71Å; R269-S273 PolarHBondContact O-N 3.01Å; R269-S273 VanDerWaalsContact O-N 3.11Å; R269-L299 HydrophobicContact CG-CD1 4.47Å |
| 270 | H | 90.4 | Very high | 83.5 | Confident | 123 Ų | 123 | 66.9 Ų | 66.9 | 57% | 0.569 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -70.9 | -40.6 | 172.6 | -167.7 | -29.9 | 0 | 0 | 0 | 111 | K266 E267 G268 L272 S273 N274 | K266-H270 PolarHBondContact O-N 3.44Å; K266-H270 VanDerWaalsContact O-N 3.08Å; E267-H270 WeakPolarHBondContact O-CA 3.44Å; E267-H270 WeakPolarHBondContact O-CB 3.37Å; E267-H270 PolarHBondContact O-N 2.66Å; G268-H270 VanDerWaalsContact C-N 3.32Å; G268-H270 PolarHBondContact O-N 2.67Å; H270-L272 VanDerWaalsContact C-N 3.34Å; H270-L272 PolarHBondContact O-N 3.16Å; H270-S273 PolarHBondContact O-N 2.78Å; H270-N274 PolarHBondContact CE1-OD1 3.12Å; H270-N274 VanDerWaalsContact CE1-OD1 3.24Å; H270-N274 PolarHBondContact ND1-OD1 3.42Å; H270-N274 VanDerWaalsContact O-CG 3.28Å; H270-N274 PolarHBondContact O-N 3.17Å; H270-N274 VanDerWaalsContact O-N 3.11Å; H270-N274 PolarHBondContact O-OD1 2.78Å; H270-N274 VanDerWaalsContact O-OD1 3.13Å |
| 271 | L | 89.2 | Confident | 81.4 | Confident | 10 Ų | 10 | 72.5 Ų | 72.5 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 175.9 | -176.6 | 57.8 | 0 | 0 | 0 | 111.6 | L206 A209 I210 F213 E267 G268 N274 L275 V295 | L206-L271 HydrophobicContact CD1-CD1 3.87Å; A209-L271 HydrophobicContact CB-CD1 3.89Å; I210-L271 HydrophobicContact CG1-CD1 4.16Å; I210-L271 HydrophobicContact CG1-CD2 3.91Å; I210-L271 HydrophobicContact CG1-CG 4.4Å; F213-L271 HydrophobicContact CB-CD2 4.02Å; F213-L271 HydrophobicContact CD1-CD2 4.21Å; F213-L271 HydrophobicContact CG-CD2 4.21Å; E267-L271 PolarHBondContact O-N 3.2Å; G268-L271 WeakPolarHBondContact O-CB 3.42Å; G268-L271 PolarHBondContact O-N 3.16Å; L271-N274 PolarHBondContact O-N 2.73Å; L271-L275 HydrophobicContact CG-CD1 4.44Å; L271-L275 WeakPolarHBondContact O-CG 3.17Å; L271-L275 PolarHBondContact O-N 3.33Å; L271-V295 HydrophobicContact CD2-CG1 4.19Å; L271-V295 HydrophobicContact CD2-CG2 3.71Å; L271-V295 HydrophobicContact CG-CG1 4.44Å; L271-V295 HydrophobicContact CG-CG2 4.25Å |
| 272 | L | 88.8 | Confident | 79.2 | Confident | 17 Ų | 17 | 78.1 Ų | 78.1 | 9% | 0.089 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 171.2 | -70.4 | -175.7 | 0 | 0 | 0 | 112.7 | G268 H270 N274 L275 E276 W292 V295 L299 | G268-L272 WeakPolarHBondContact O-CG 3.23Å; G268-L272 PolarHBondContact O-N 2.92Å; H270-L272 VanDerWaalsContact C-N 3.34Å; H270-L272 PolarHBondContact O-N 3.16Å; L272-N274 PolarHBondContact O-N 2.64Å; L272-L275 HydrophobicContact CD2-CD1 4.47Å; L272-L275 PolarHBondContact O-N 3.1Å; L272-L275 VanDerWaalsContact O-N 3.07Å; L272-E276 WeakPolarHBondContact O-CG 3.49Å; L272-E276 PolarHBondContact O-N 3.26Å; L272-W292 HydrophobicContact CD1-CE3 4.19Å; L272-W292 HydrophobicContact CD1-CH2 3.72Å; L272-W292 HydrophobicContact CD1-CZ3 3.48Å; L272-W292 VanDerWaalsContact CD1-CZ3 3.48Å; L272-W292 HydrophobicContact CD2-CD2 3.65Å; L272-W292 HydrophobicContact CD2-CE3 3.24Å; L272-W292 HydrophobicContact CD2-CG 4.28Å; L272-W292 HydrophobicContact CD2-CH2 4.14Å; L272-W292 HydrophobicContact CD2-CZ3 3.47Å; L272-W292 VanDerWaalsContact CD2-CZ3 3.47Å; L272-W292 HydrophobicContact CG-CE3 4.28Å; L272-W292 HydrophobicContact CG-CH2 4.39Å; L272-W292 HydrophobicContact CG-CZ3 4.04Å; L272-V295 HydrophobicContact CD1-CG1 4.5Å; L272-V295 HydrophobicContact CD2-CB 3.66Å; L272-V295 HydrophobicContact CD2-CG1 3.5Å; L272-V295 VanDerWaalsContact CD2-CG1 3.5Å; L272-V295 HydrophobicContact CG-CB 4.42Å; L272-V295 HydrophobicContact CG-CG1 3.7Å; L272-L299 HydrophobicContact CD1-CD1 3.58Å; L272-L299 HydrophobicContact CG-CD1 4.19Å |
| 273 | S | 86.6 | Confident | 76.9 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.6 | -27.7 | 178.5 | -172.9 | 0 | 0 | 0 | 0 | 113.2 | R269 H270 T277 | R269-S273 PolarHBondContact O-N 3.01Å; R269-S273 VanDerWaalsContact O-N 3.11Å; H270-S273 PolarHBondContact O-N 2.78Å; S273-T277 WeakPolarHBondContact O-CG2 3.48Å; S273-T277 PolarHBondContact O-N 2.94Å; S273-T277 PolarHBondContact O-OG1 2.92Å |
| 274 | N | 83 | Confident | 74.8 | Confident | 70 Ų | 70 | 76.1 Ų | 76.1 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -76.1 | -37.5 | 175.9 | -61.4 | -5.1 | 0 | 0 | 0 | 111.5 | H270 L271 L272 T277 T278 | H270-N274 PolarHBondContact CE1-OD1 3.12Å; H270-N274 VanDerWaalsContact CE1-OD1 3.24Å; H270-N274 PolarHBondContact ND1-OD1 3.42Å; H270-N274 VanDerWaalsContact O-CG 3.28Å; H270-N274 PolarHBondContact O-N 3.17Å; H270-N274 VanDerWaalsContact O-N 3.11Å; H270-N274 PolarHBondContact O-OD1 2.78Å; H270-N274 VanDerWaalsContact O-OD1 3.13Å; L271-N274 PolarHBondContact O-N 2.73Å; L272-N274 PolarHBondContact O-N 2.64Å; N274-T277 WeakPolarHBondContact CA-OG1 3.36Å; N274-T277 PolarHBondContact O-N 2.93Å; N274-T277 PolarHBondContact O-OG1 2.95Å; N274-T278 PolarHBondContact O-OG1 3.48Å; N274-T278 VanDerWaalsContact O-OG1 3.08Å |
| 275 | L | 79.7 | Confident | 73.1 | Confident | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.01 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.7 | -37.6 | 174.5 | -69.1 | 161.5 | 0 | 0 | 0 | 111.5 | L206 L271 L272 T277 T278 G279 V288 W292 | L206-L275 HydrophobicContact CD1-CD2 3.94Å; L206-L275 HydrophobicContact CD1-CG 4.29Å; L206-L275 HydrophobicContact CD2-CD2 3.92Å; L206-L275 HydrophobicContact CG-CD2 4.44Å; L271-L275 HydrophobicContact CG-CD1 4.44Å; L271-L275 WeakPolarHBondContact O-CG 3.17Å; L271-L275 PolarHBondContact O-N 3.33Å; L272-L275 HydrophobicContact CD2-CD1 4.47Å; L272-L275 PolarHBondContact O-N 3.1Å; L272-L275 VanDerWaalsContact O-N 3.07Å; L275-T277 VanDerWaalsContact C-N 3.28Å; L275-T277 PolarHBondContact O-N 2.98Å; L275-T278 WeakPolarHBondContact CA-OG1 2.97Å; L275-T278 PolarHBondContact O-N 3.16Å; L275-T278 PolarHBondContact O-OG1 3.2Å; L275-G279 PolarHBondContact O-N 2.85Å; L275-V288 HydrophobicContact CD2-CG1 3.84Å; L275-W292 HydrophobicContact CD1-CB 4.47Å |
| 276 | E | 74.4 | Confident | 71.4 | Confident | 101 Ų | 101 | 86.1 Ų | 86.1 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.6 | -23.2 | 173.5 | -72.3 | -176 | 150.6 | 0 | 0 | 114 | L272 W292 | L272-E276 WeakPolarHBondContact O-CG 3.49Å; L272-E276 PolarHBondContact O-N 3.26Å; E276-W292 HydrophobicContact CG-CZ2 4.12Å; E276-W292 VanDerWaalsContact CG-NE1 3.35Å; E276-W292 WeakPolarHBondContact OE1-CZ2 3.4Å |
| 277 | T | 63.7 | Low | 70.1 | Confident | 102 Ų | 102 | 80.4 Ų | 80.4 | 63% | 0.626 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -12.9 | 175 | 44.7 | 0 | 0 | 0 | 0 | 114.3 | S273 N274 L275 | S273-T277 WeakPolarHBondContact O-CG2 3.48Å; S273-T277 PolarHBondContact O-N 2.94Å; S273-T277 PolarHBondContact O-OG1 2.92Å; N274-T277 WeakPolarHBondContact CA-OG1 3.36Å; N274-T277 PolarHBondContact O-N 2.93Å; N274-T277 PolarHBondContact O-OG1 2.95Å; L275-T277 VanDerWaalsContact C-N 3.28Å; L275-T277 PolarHBondContact O-N 2.98Å |
| 278 | T | 57.2 | Low | 69 | Low | 77 Ų | 77 | 78.4 Ų | 78.4 | 47% | 0.472 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -40.2 | -177.6 | 33.2 | 0 | 0 | 0 | 0 | 113.1 | N274 L275 K280 Q285 | N274-T278 PolarHBondContact O-OG1 3.48Å; N274-T278 VanDerWaalsContact O-OG1 3.08Å; L275-T278 WeakPolarHBondContact CA-OG1 2.97Å; L275-T278 PolarHBondContact O-N 3.16Å; L275-T278 PolarHBondContact O-OG1 3.2Å; T278-K280 PolarHBondContact O-N 3.36Å; T278-Q285 PolarHBondContact O-OE1 3.31Å |
| 279 | G | 52.9 | Low | 68.1 | Low | 45 Ų | 45 | 83.3 Ų | 83.3 | 46% | 0.464 | 43% | 0.426 | S | S | . | . | trans | -95.1 | 61.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | L275 Q285 | L275-G279 PolarHBondContact O-N 2.85Å; G279-Q285 VanDerWaalsContact CA-OE1 3.26Å | ||
| 280 | K | 48.2 | Very low | 67.2 | Low | 166 Ų | 166 | 78.6 Ų | 78.6 | 72% | 0.722 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -105.4 | -16.6 | -177.4 | -107.3 | -175.1 | -178.1 | 179.8 | 0 | 117.1 | T278 | T278-K280 PolarHBondContact O-N 3.36Š|
| 281 | D | 49.8 | Very low | 66.6 | Low | 148 Ų | 148 | 74 Ų | 74 | 79% | 0.791 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -136.5 | 143.3 | 174 | -75.1 | -70.2 | 0 | 0 | 0 | 109.5 | ||
| 282 | D | 49.6 | Very low | 66.5 | Low | 119 Ų | 119 | 76.5 Ų | 76.5 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | trans | 72.6 | 146.1 | 178.2 | -158.9 | 37.8 | 0 | 0 | 0 | 119.5 | S284 | D282-S284 VanDerWaalsContact C-N 3.27Å; D282-S284 PolarHBondContact O-N 3.3Å; D282-S284 VanDerWaalsContact OD2-CB 3.24Å; D282-S284 WeakPolarHBondContact OD2-CB 3.39Å; D282-S284 PolarHBondContact OD2-OG 2.99Å | ||
| 283 | D | 47.5 | Very low | 66.2 | Low | 125 Ų | 125 | 80.3 Ų | 80.3 | 67% | 0.668 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 6 | -174.4 | -159.9 | 35.6 | 0 | 0 | 0 | 112.8 | W286 | D283-W286 PolarHBondContact O-NE1 2.81Š|
| 284 | S | 49.6 | Very low | 66 | Low | 41 Ų | 41 | 78.1 Ų | 78.1 | 29% | 0.287 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -16.7 | -176.8 | 51.2 | 0 | 0 | 0 | 0 | 114.4 | D282 W286 | D282-S284 VanDerWaalsContact C-N 3.27Å; D282-S284 PolarHBondContact O-N 3.3Å; D282-S284 VanDerWaalsContact OD2-CB 3.24Å; D282-S284 WeakPolarHBondContact OD2-CB 3.39Å; D282-S284 PolarHBondContact OD2-OG 2.99Å; S284-W286 VanDerWaalsContact C-N 3.33Å; S284-W286 PolarHBondContact O-N 3.32Å; S284-W286 VanDerWaalsContact O-N 3.12Å |
| 285 | Q | 59.2 | Low | 66.3 | Low | 75 Ų | 75 | 74.8 Ų | 74.8 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | trans | -89.9 | 42.7 | -169.2 | -130.7 | -175.4 | 56.7 | 0 | 0 | 114.9 | T278 G279 D287 V288 K289 | T278-Q285 PolarHBondContact O-OE1 3.31Å; G279-Q285 VanDerWaalsContact CA-OE1 3.26Å; Q285-D287 VanDerWaalsContact C-N 3.33Å; Q285-D287 PolarHBondContact O-N 3.48Å; Q285-V288 HydrophobicContact CG-CB 4.22Å; Q285-V288 HydrophobicContact CG-CG2 3.82Å; Q285-V288 PolarHBondContact O-N 3.43Å; Q285-K289 PolarHBondContact O-N 2.86Å | ||
| 286 | W | 59.3 | Low | 66.7 | Low | 158 Ų | 158 | 79.6 Ų | 79.6 | 60% | 0.598 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -54.9 | -35.8 | -171.6 | -90 | 72.1 | 0 | 0 | 0 | 115.8 | D283 S284 K289 L290 | D283-W286 PolarHBondContact O-NE1 2.81Å; S284-W286 VanDerWaalsContact C-N 3.33Å; S284-W286 PolarHBondContact O-N 3.32Å; S284-W286 VanDerWaalsContact O-N 3.12Å; W286-K289 PolarHBondContact O-N 3.11Å; W286-L290 PolarHBondContact O-N 3.26Å; W286-L290 VanDerWaalsContact O-N 3.13Å |
| 287 | D | 64.6 | Low | 67.4 | Low | 31 Ų | 31 | 78.8 Ų | 78.8 | 17% | 0.166 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -71.6 | -35.8 | -178.8 | -73.4 | -35.4 | 0 | 0 | 0 | 112.7 | G61 R63 Q285 K289 L290 D291 | G61-D287 WeakPolarHBondContact CA-OD2 3.17Å; R63-D287 IonicContact CZ-OD1 2.65Å; R63-D287 IonicContact CZ-OD2 3.29Å; R63-D287 IonicContact NH1-OD1 2.83Å; R63-D287 IonicContact NH1-OD2 2.66Å; R63-D287 PolarHBondContact NH1-OD2 3.1Å; R63-D287 VanDerWaalsContact NH2-CG 3.34Å; R63-D287 IonicContact NH2-OD1 2.84Å; R63-D287 PolarHBondContact NH2-OD1 3.42Å; R63-D287 IonicContact NH2-OD2 3.14Å; R63-D287 PolarHBondContact NH2-OD2 2.84Å; Q285-D287 VanDerWaalsContact C-N 3.33Å; Q285-D287 PolarHBondContact O-N 3.48Å; D287-K289 VanDerWaalsContact C-N 3.29Å; D287-K289 PolarHBondContact O-N 3.26Å; D287-L290 PolarHBondContact O-N 3.49Å; D287-D291 PolarHBondContact O-N 2.8Å |
| 288 | V | 70.2 | Confident | 68.6 | Low | 34 Ų | 34 | 73.9 Ų | 73.9 | 21% | 0.206 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.3 | -38 | 176.8 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | L275 Q285 W292 | L275-V288 HydrophobicContact CD2-CG1 3.84Å; Q285-V288 HydrophobicContact CG-CB 4.22Å; Q285-V288 HydrophobicContact CG-CG2 3.82Å; Q285-V288 PolarHBondContact O-N 3.43Å; V288-W292 PolarHBondContact O-N 3.36Å |
| 289 | K | 73.1 | Confident | 70.2 | Confident | 103 Ų | 103 | 71.4 Ų | 71.4 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 173.3 | -177.8 | -178.6 | 176.3 | -176.6 | 0 | 112.4 | Q285 W286 D287 W292 E293 | Q285-K289 PolarHBondContact O-N 2.86Å; W286-K289 PolarHBondContact O-N 3.11Å; D287-K289 VanDerWaalsContact C-N 3.29Å; D287-K289 PolarHBondContact O-N 3.26Å; K289-W292 WeakPolarHBondContact O-CB 3.4Å; K289-W292 PolarHBondContact O-N 3Å; K289-E293 WeakPolarHBondContact CE-OE1 3.48Å; K289-E293 WeakPolarHBondContact O-CG 3.3Å; K289-E293 PolarHBondContact O-N 3.32Å |
| 290 | L | 74.5 | Confident | 72 | Confident | 45 Ų | 45 | 70.6 Ų | 70.6 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 177.8 | -173.6 | 65.3 | 0 | 0 | 0 | 112.5 | R99 W286 D287 T294 | R99-L290 HydrophobicContact CB-CD2 4.43Å; W286-L290 PolarHBondContact O-N 3.26Å; W286-L290 VanDerWaalsContact O-N 3.13Å; D287-L290 PolarHBondContact O-N 3.49Å; L290-T294 VanDerWaalsContact O-CB 3.23Å; L290-T294 WeakPolarHBondContact O-CB 3.35Å; L290-T294 PolarHBondContact O-N 3.24Å; L290-T294 PolarHBondContact O-OG1 3.17Å |
| 291 | D | 78.7 | Confident | 74 | Confident | 27 Ų | 27 | 64 Ų | 64 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.8 | -32.9 | 173.9 | -90.1 | -24.1 | 0 | 0 | 0 | 111.8 | R207 I210 D287 V295 | R207-D291 IonicContact NH1-OD1 2.96Å; R207-D291 PolarHBondContact NH1-OD1 3.2Å; R207-D291 IonicContact NH1-OD2 3.84Å; R207-D291 PolarHBondContact NH1-OD2 3.2Å; I210-D291 HydrophobicContact CD1-CB 3.78Å; I210-D291 WeakPolarHBondContact CD1-OD2 3.38Å; D287-D291 PolarHBondContact O-N 2.8Å; D291-V295 WeakPolarHBondContact O-CG2 3.2Å; D291-V295 PolarHBondContact O-N 3.37Å |
| 292 | W | 85.5 | Confident | 76 | Confident | 62 Ų | 62 | 57 Ų | 57 | 24% | 0.235 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.8 | -65.4 | 166 | -163.6 | 146.4 | 0 | 0 | 0 | 109.8 | L272 L275 E276 V288 K289 T294 V295 Q296 | L272-W292 HydrophobicContact CD1-CE3 4.19Å; L272-W292 HydrophobicContact CD1-CH2 3.72Å; L272-W292 HydrophobicContact CD1-CZ3 3.48Å; L272-W292 VanDerWaalsContact CD1-CZ3 3.48Å; L272-W292 HydrophobicContact CD2-CD2 3.65Å; L272-W292 HydrophobicContact CD2-CE3 3.24Å; L272-W292 HydrophobicContact CD2-CG 4.28Å; L272-W292 HydrophobicContact CD2-CH2 4.14Å; L272-W292 HydrophobicContact CD2-CZ3 3.47Å; L272-W292 VanDerWaalsContact CD2-CZ3 3.47Å; L272-W292 HydrophobicContact CG-CE3 4.28Å; L272-W292 HydrophobicContact CG-CH2 4.39Å; L272-W292 HydrophobicContact CG-CZ3 4.04Å; L275-W292 HydrophobicContact CD1-CB 4.47Å; E276-W292 HydrophobicContact CG-CZ2 4.12Å; E276-W292 VanDerWaalsContact CG-NE1 3.35Å; E276-W292 WeakPolarHBondContact OE1-CZ2 3.4Å; V288-W292 PolarHBondContact O-N 3.36Å; K289-W292 WeakPolarHBondContact O-CB 3.4Å; K289-W292 PolarHBondContact O-N 3Å; W292-T294 PolarHBondContact O-N 2.98Å; W292-V295 PolarHBondContact O-N 3.4Å; W292-Q296 HydrophobicContact CE3-CB 3.7Å; W292-Q296 HydrophobicContact CE3-CG 4.23Å; W292-Q296 HydrophobicContact CH2-CG 4.47Å; W292-Q296 HydrophobicContact CZ3-CB 3.49Å; W292-Q296 VanDerWaalsContact CZ3-CB 3.49Å; W292-Q296 VanDerWaalsContact CZ3-CD 3.43Å; W292-Q296 HydrophobicContact CZ3-CG 3.55Å; W292-Q296 PolarHBondContact O-N 3.39Å |
| 293 | E | 82.4 | Confident | 78 | Confident | 98 Ų | 98 | 57.7 Ų | 57.7 | 46% | 0.458 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -51.4 | -34.1 | -178.2 | -71.4 | 176 | -163.9 | 0 | 0 | 112.3 | K289 Q296 R297 | K289-E293 WeakPolarHBondContact CE-OE1 3.48Å; K289-E293 WeakPolarHBondContact O-CG 3.3Å; K289-E293 PolarHBondContact O-N 3.32Å; E293-Q296 WeakPolarHBondContact O-CB 3.26Å; E293-R297 VanDerWaalsContact O-CB 3.31Å; E293-R297 WeakPolarHBondContact O-CB 3.46Å; E293-R297 PolarHBondContact O-N 3.36Å |
| 294 | T | 83.3 | Confident | 79.9 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -49.9 | 173.5 | -69 | 0 | 0 | 0 | 0 | 113.3 | V39 L290 W292 Q296 R297 L298 | V39-T294 HydrophobicContact CB-CG2 4.27Å; V39-T294 HydrophobicContact CG1-CG2 3.84Å; V39-T294 HydrophobicContact CG2-CG2 3.35Å; L290-T294 VanDerWaalsContact O-CB 3.23Å; L290-T294 WeakPolarHBondContact O-CB 3.35Å; L290-T294 PolarHBondContact O-N 3.24Å; L290-T294 PolarHBondContact O-OG1 3.17Å; W292-T294 PolarHBondContact O-N 2.98Å; T294-Q296 VanDerWaalsContact C-N 3.31Å; T294-Q296 PolarHBondContact O-N 3Å; T294-R297 PolarHBondContact O-N 3.09Å; T294-L298 PolarHBondContact O-N 3.17Å; T294-L298 VanDerWaalsContact O-N 3.08Å |
| 295 | V | 88.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.6 | -33.9 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | I210 F213 L271 L272 D291 W292 L299 | I210-V295 HydrophobicContact CG1-CG2 4.41Å; F213-V295 HydrophobicContact CD1-CG1 4.17Å; F213-V295 HydrophobicContact CD1-CG2 4.37Å; F213-V295 HydrophobicContact CE1-CG1 3.81Å; L271-V295 HydrophobicContact CD2-CG1 4.19Å; L271-V295 HydrophobicContact CD2-CG2 3.71Å; L271-V295 HydrophobicContact CG-CG1 4.44Å; L271-V295 HydrophobicContact CG-CG2 4.25Å; L272-V295 HydrophobicContact CD1-CG1 4.5Å; L272-V295 HydrophobicContact CD2-CB 3.66Å; L272-V295 HydrophobicContact CD2-CG1 3.5Å; L272-V295 VanDerWaalsContact CD2-CG1 3.5Å; L272-V295 HydrophobicContact CG-CB 4.42Å; L272-V295 HydrophobicContact CG-CG1 3.7Å; D291-V295 WeakPolarHBondContact O-CG2 3.2Å; D291-V295 PolarHBondContact O-N 3.37Å; W292-V295 PolarHBondContact O-N 3.4Å; V295-L299 HydrophobicContact CG1-CD1 4.23Å; V295-L299 WeakPolarHBondContact O-CG 3.34Å; V295-L299 PolarHBondContact O-N 2.7Å |
| 296 | Q | 89.2 | Confident | 83.3 | Confident | 103 Ų | 103 | 51.2 Ų | 51.2 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.4 | -49.3 | 172.2 | -161.2 | 165.9 | 40.1 | 0 | 0 | 111.8 | W292 E293 T294 L299 A300 | W292-Q296 HydrophobicContact CE3-CB 3.7Å; W292-Q296 HydrophobicContact CE3-CG 4.23Å; W292-Q296 HydrophobicContact CH2-CG 4.47Å; W292-Q296 HydrophobicContact CZ3-CB 3.49Å; W292-Q296 VanDerWaalsContact CZ3-CB 3.49Å; W292-Q296 VanDerWaalsContact CZ3-CD 3.43Å; W292-Q296 HydrophobicContact CZ3-CG 3.55Å; W292-Q296 PolarHBondContact O-N 3.39Å; E293-Q296 WeakPolarHBondContact O-CB 3.26Å; T294-Q296 VanDerWaalsContact C-N 3.31Å; T294-Q296 PolarHBondContact O-N 3Å; Q296-L299 PolarHBondContact O-N 3.13Å; Q296-A300 WeakPolarHBondContact O-CB 3.07Å; Q296-A300 PolarHBondContact O-N 3.41Å |
| 297 | R | 87.6 | Confident | 84.7 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 32% | 0.317 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.6 | -41.3 | -175.9 | -180 | 167.6 | 47.9 | 141.8 | -5.2 | 111.4 | T35 E293 T294 A300 Q301 | T35-R297 HydrophobicContact CG2-CG 4.03Å; E293-R297 VanDerWaalsContact O-CB 3.31Å; E293-R297 WeakPolarHBondContact O-CB 3.46Å; E293-R297 PolarHBondContact O-N 3.36Å; T294-R297 PolarHBondContact O-N 3.09Å; R297-A300 PolarHBondContact O-N 2.87Å; R297-Q301 WeakPolarHBondContact O-CB 3.12Å; R297-Q301 VanDerWaalsContact O-CG 3.3Å; R297-Q301 WeakPolarHBondContact O-CG 3.34Å; R297-Q301 PolarHBondContact O-N 2.69Å |
| 298 | L | 89.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 172.6 | -71.7 | 176.7 | 0 | 0 | 0 | 112.4 | L32 T35 L36 V39 F213 A214 V217 T294 Q301 L302 | L32-L298 HydrophobicContact CD1-CD2 3.75Å; T35-L298 HydrophobicContact CG2-CD2 3.72Å; T35-L298 HydrophobicContact CG2-CG 4.28Å; L36-L298 HydrophobicContact CD2-CD2 3.73Å; L36-L298 HydrophobicContact CG-CD2 4.2Å; V39-L298 HydrophobicContact CG1-CD1 4.15Å; V39-L298 HydrophobicContact CG2-CD1 4.33Å; F213-L298 HydrophobicContact CD1-CD1 4.15Å; F213-L298 HydrophobicContact CE1-CB 3.88Å; F213-L298 HydrophobicContact CE1-CD1 4.03Å; A214-L298 HydrophobicContact CB-CD1 4.01Å; V217-L298 HydrophobicContact CG1-CB 4.45Å; V217-L298 HydrophobicContact CG1-CD2 4.21Å; T294-L298 PolarHBondContact O-N 3.17Å; T294-L298 VanDerWaalsContact O-N 3.08Å; L298-Q301 PolarHBondContact O-N 3.18Å; L298-L302 WeakPolarHBondContact O-CB 2.99Å; L298-L302 PolarHBondContact O-N 3.43Å |
| 299 | L | 92.5 | Very high | 86.5 | Confident | 25 Ų | 25 | 45.2 Ų | 45.2 | 13% | 0.131 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 176.5 | -78.2 | 169.8 | 0 | 0 | 0 | 112.9 | F213 R269 L272 V295 Q296 R303 | F213-L299 HydrophobicContact CE1-CG 4.43Å; F213-L299 HydrophobicContact CE2-CD2 4.26Å; F213-L299 HydrophobicContact CZ-CD2 3.74Å; F213-L299 HydrophobicContact CZ-CG 3.8Å; R269-L299 HydrophobicContact CG-CD1 4.47Å; L272-L299 HydrophobicContact CD1-CD1 3.58Å; L272-L299 HydrophobicContact CG-CD1 4.19Å; V295-L299 HydrophobicContact CG1-CD1 4.23Å; V295-L299 WeakPolarHBondContact O-CG 3.34Å; V295-L299 PolarHBondContact O-N 2.7Å; Q296-L299 PolarHBondContact O-N 3.13Å; L299-R303 WeakPolarHBondContact O-CB 3.42Å; L299-R303 PolarHBondContact O-N 3.09Å; L299-R303 VanDerWaalsContact O-N 3.11Å |
| 300 | A | 90.1 | Very high | 87.3 | Confident | 27 Ų | 27 | 42.3 Ų | 42.3 | 22% | 0.223 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.2 | -50.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q296 R297 L302 R303 D304 | Q296-A300 WeakPolarHBondContact O-CB 3.07Å; Q296-A300 PolarHBondContact O-N 3.41Å; R297-A300 PolarHBondContact O-N 2.87Å; A300-L302 VanDerWaalsContact C-N 3.35Å; A300-L302 PolarHBondContact O-N 2.82Å; A300-R303 WeakPolarHBondContact O-CB 2.97Å; A300-R303 PolarHBondContact O-N 2.98Å; A300-D304 WeakPolarHBondContact O-CB 3.45Å; A300-D304 PolarHBondContact O-N 3.42Å |
| 301 | Q | 89 | Confident | 87.7 | Confident | 28 Ų | 28 | 41.6 Ų | 41.6 | 13% | 0.131 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.2 | -33.3 | -179.7 | -70.8 | 179.9 | -56.4 | 0 | 0 | 113.1 | Q31 L32 T35 R297 L298 D304 M305 | Q31-Q301 PolarHBondContact O-NE2 3.36Å; L32-Q301 HydrophobicContact CB-CB 4.24Å; L32-Q301 HydrophobicContact CD1-CB 3.61Å; L32-Q301 HydrophobicContact CG-CB 4.48Å; T35-Q301 PolarHBondContact OG1-NE2 2.87Å; T35-Q301 PolarHBondContact OG1-OE1 2.57Å; R297-Q301 WeakPolarHBondContact O-CB 3.12Å; R297-Q301 VanDerWaalsContact O-CG 3.3Å; R297-Q301 WeakPolarHBondContact O-CG 3.34Å; R297-Q301 PolarHBondContact O-N 2.69Å; L298-Q301 PolarHBondContact O-N 3.18Å; Q301-D304 PolarHBondContact O-N 3.3Å; Q301-M305 WeakPolarHBondContact O-CB 3.2Å; Q301-M305 PolarHBondContact O-N 3.47Å |
| 302 | L | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.3 | -46.7 | 171.8 | 178 | 62 | 0 | 0 | 0 | 111.5 | V217 I220 L224 I261 V264 L298 A300 D304 M305 E306 | V217-L302 HydrophobicContact CG1-CB 4.47Å; V217-L302 HydrophobicContact CG2-CD2 4.35Å; I220-L302 HydrophobicContact CG2-CD1 3.76Å; L224-L302 HydrophobicContact CD1-CD1 4.38Å; I261-L302 HydrophobicContact CG2-CD2 4.4Å; I261-L302 HydrophobicContact CG2-CG 4.32Å; V264-L302 HydrophobicContact CG1-CD2 4.15Å; L298-L302 WeakPolarHBondContact O-CB 2.99Å; L298-L302 PolarHBondContact O-N 3.43Å; A300-L302 VanDerWaalsContact C-N 3.35Å; A300-L302 PolarHBondContact O-N 2.82Å; L302-D304 VanDerWaalsContact C-N 3.34Å; L302-D304 PolarHBondContact O-N 3.4Å; L302-M305 PolarHBondContact O-N 2.74Å; L302-E306 WeakPolarHBondContact O-CB 2.84Å; L302-E306 PolarHBondContact O-N 2.85Å |
| 303 | R | 91.8 | Very high | 88.1 | Confident | 134 Ų | 134 | 38 Ų | 38 | 51% | 0.506 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 175.4 | 176.2 | -154.3 | 64.4 | -144.1 | -8 | 111.8 | L299 A300 M305 E306 S307 | L299-R303 WeakPolarHBondContact O-CB 3.42Å; L299-R303 PolarHBondContact O-N 3.09Å; L299-R303 VanDerWaalsContact O-N 3.11Å; A300-R303 WeakPolarHBondContact O-CB 2.97Å; A300-R303 PolarHBondContact O-N 2.98Å; R303-M305 VanDerWaalsContact C-N 3.33Å; R303-E306 WeakPolarHBondContact O-CB 3.2Å; R303-E306 PolarHBondContact O-N 3.24Å; R303-S307 WeakPolarHBondContact O-CB 3.25Å; R303-S307 PolarHBondContact O-N 3.01Å |
| 304 | D | 88.3 | Confident | 88.3 | Confident | 74 Ų | 74 | 38.2 Ų | 38.2 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -71.8 | -32.5 | -178 | -61.3 | -18.4 | 0 | 0 | 0 | 110.9 | A300 Q301 L302 A308 | A300-D304 WeakPolarHBondContact O-CB 3.45Å; A300-D304 PolarHBondContact O-N 3.42Å; Q301-D304 PolarHBondContact O-N 3.3Å; L302-D304 VanDerWaalsContact C-N 3.34Å; L302-D304 PolarHBondContact O-N 3.4Å; D304-A308 WeakPolarHBondContact O-CB 3.43Å; D304-A308 PolarHBondContact O-N 3.48Å |
| 305 | M | 88.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71 | -40.3 | 169.2 | -164.8 | -177 | -50.4 | 0 | 0 | 112.9 | L25 A28 L32 A221 L224 Q301 L302 R303 S307 A308 F309 | L25-M305 HydrophobicContact CD1-CG 3.76Å; A28-M305 HydrophobicContact CB-CB 4.17Å; A28-M305 HydrophobicContact CB-CG 4.3Å; L32-M305 HydrophobicContact CB-CE 3.69Å; L32-M305 HydrophobicContact CD2-CE 3.45Å; L32-M305 VanDerWaalsContact CD2-CE 3.45Å; L32-M305 HydrophobicContact CG-CE 4.21Å; A221-M305 HydrophobicContact CB-CE 3.75Å; A221-M305 HydrophobicContact CB-SD 3.7Å; L224-M305 HydrophobicContact CB-SD 4.07Å; L224-M305 HydrophobicContact CD1-CB 4.5Å; L224-M305 HydrophobicContact CD1-CG 4.07Å; L224-M305 HydrophobicContact CD1-SD 3.92Å; Q301-M305 WeakPolarHBondContact O-CB 3.2Å; Q301-M305 PolarHBondContact O-N 3.47Å; L302-M305 PolarHBondContact O-N 2.74Å; R303-M305 VanDerWaalsContact C-N 3.33Å; M305-S307 VanDerWaalsContact C-N 3.33Å; M305-A308 PolarHBondContact O-N 2.78Å; M305-F309 WeakPolarHBondContact O-CB 3.48Å; M305-F309 PolarHBondContact O-N 3.47Å |
| 306 | E | 91.9 | Very high | 88.1 | Confident | 32 Ų | 32 | 42.5 Ų | 42.5 | 15% | 0.15 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.8 | -47.4 | 170.8 | 176.4 | -179.6 | -153.5 | 0 | 0 | 110.5 | K258 I261 L302 R303 A308 F309 D310 | K258-E306 HydrophobicContact CD-CG 4.44Å; K258-E306 WeakPolarHBondContact CE-OE1 3.43Å; K258-E306 VanDerWaalsContact NZ-CG 3.25Å; K258-E306 IonicContact NZ-OE1 3.81Å; K258-E306 PolarHBondContact NZ-OE1 3.39Å; I261-E306 HydrophobicContact CD1-CB 4.34Å; I261-E306 HydrophobicContact CD1-CG 4.17Å; I261-E306 HydrophobicContact CG2-CB 4.37Å; I261-E306 HydrophobicContact CG2-CG 4.29Å; I261-E306 WeakPolarHBondContact CG2-OE2 3.31Å; L302-E306 WeakPolarHBondContact O-CB 2.84Å; L302-E306 PolarHBondContact O-N 2.85Å; R303-E306 WeakPolarHBondContact O-CB 3.2Å; R303-E306 PolarHBondContact O-N 3.24Å; E306-A308 PolarHBondContact O-N 3.03Å; E306-F309 PolarHBondContact O-N 2.93Å; E306-D310 VanDerWaalsContact O-CG 3.28Å; E306-D310 PolarHBondContact O-N 2.91Å |
| 307 | S | 89.2 | Confident | 88 | Confident | 79 Ų | 79 | 39.1 Ų | 39.1 | 55% | 0.552 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -63.8 | -41.2 | 178.4 | -176.2 | 0 | 0 | 0 | 0 | 112.8 | R303 M305 F309 G311 | R303-S307 WeakPolarHBondContact O-CB 3.25Å; R303-S307 PolarHBondContact O-N 3.01Å; M305-S307 VanDerWaalsContact C-N 3.33Å; S307-F309 VanDerWaalsContact C-N 3.33Å; S307-G311 PolarHBondContact O-N 2.91Å; S307-G311 VanDerWaalsContact O-N 3.13Å |
| 308 | A | 83.4 | Confident | 88 | Confident | 17 Ų | 17 | 39.9 Ų | 39.9 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -36.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C24 L25 D304 M305 E306 F312 | C24-A308 HydrophobicContact CB-CB 4.37Å; L25-A308 HydrophobicContact CB-CB 4.37Å; D304-A308 WeakPolarHBondContact O-CB 3.43Å; D304-A308 PolarHBondContact O-N 3.48Å; M305-A308 PolarHBondContact O-N 2.78Å; E306-A308 PolarHBondContact O-N 3.03Å; A308-F312 PolarHBondContact O-N 2.8Å |
| 309 | F | 87.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.2 | -46.7 | 177.4 | -172.9 | -114.3 | 0 | 0 | 0 | 112.4 | L25 L224 F227 L231 Y254 L257 M305 E306 S307 G311 F312 F313 | L25-F309 HydrophobicContact CD1-CB 3.88Å; L25-F309 HydrophobicContact CD1-CD2 4.24Å; L25-F309 HydrophobicContact CD2-CD2 3.82Å; L224-F309 HydrophobicContact CD2-CB 3.66Å; L224-F309 HydrophobicContact CD2-CD1 3.34Å; L224-F309 HydrophobicContact CD2-CD2 4.15Å; L224-F309 HydrophobicContact CD2-CE1 4Å; L224-F309 HydrophobicContact CD2-CG 3.43Å; L224-F309 VanDerWaalsContact CD2-CG 3.43Å; F227-F309 HydrophobicContact CD1-CE1 4.02Å; F227-F309 HydrophobicContact CD1-CE2 4.41Å; F227-F309 AromaticContact CD1-CZ 3.42Å; F227-F309 HydrophobicContact CD1-CZ 3.42Å; F227-F309 VanDerWaalsContact CD1-CZ 3.42Å; F227-F309 HydrophobicContact CE1-CE1 4.25Å; F227-F309 AromaticContact CE1-CZ 3.78Å; F227-F309 HydrophobicContact CE1-CZ 3.78Å; F227-F309 HydrophobicContact CG-CZ 4.19Å; L231-F309 HydrophobicContact CD1-CE2 4Å; L231-F309 HydrophobicContact CD1-CZ 3.9Å; Y254-F309 HydrophobicContact CD2-CD1 4.4Å; Y254-F309 AromaticContact CD2-CE1 3.88Å; Y254-F309 HydrophobicContact CD2-CE1 3.88Å; Y254-F309 HydrophobicContact CE2-CD1 4.43Å; Y254-F309 HydrophobicContact CE2-CE1 4.35Å; L257-F309 HydrophobicContact CD2-CE1 4.09Å; M305-F309 WeakPolarHBondContact O-CB 3.48Å; M305-F309 PolarHBondContact O-N 3.47Å; E306-F309 PolarHBondContact O-N 2.93Å; S307-F309 VanDerWaalsContact C-N 3.33Å; F309-G311 VanDerWaalsContact C-N 3.33Å; F309-G311 PolarHBondContact O-N 3.38Å; F309-F312 HydrophobicContact CD2-CD1 4.42Å; F309-F312 HydrophobicContact CE2-CD1 4.36Å; F309-F312 PolarHBondContact O-N 3.37Å; F309-F312 VanDerWaalsContact O-N 3.11Å; F309-F313 WeakPolarHBondContact O-CB 3.3Å; F309-F313 PolarHBondContact O-N 3.35Å |
| 310 | D | 89.8 | Confident | 87.4 | Confident | 41 Ų | 41 | 40.8 Ų | 40.8 | 22% | 0.219 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.6 | -49.5 | 174.7 | -71 | 4.9 | 0 | 0 | 0 | 110.7 | Y254 K258 E306 F312 F313 E314 | Y254-D310 PolarHBondContact OH-OD1 3.24Å; K258-D310 VanDerWaalsContact CE-OD1 3.3Å; K258-D310 WeakPolarHBondContact CE-OD1 3.21Å; K258-D310 IonicContact NZ-OD1 2.89Å; K258-D310 PolarHBondContact NZ-OD1 3.06Å; K258-D310 IonicContact NZ-OD2 2.66Å; K258-D310 PolarHBondContact NZ-OD2 3.5Å; E306-D310 VanDerWaalsContact O-CG 3.28Å; E306-D310 PolarHBondContact O-N 2.91Å; D310-F312 PolarHBondContact O-N 3.41Å; D310-F313 PolarHBondContact O-N 2.98Å; D310-E314 WeakPolarHBondContact O-CG 3.35Å; D310-E314 PolarHBondContact O-N 3.42Å |
| 311 | G | 83.4 | Confident | 87.4 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 31% | 0.309 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.5 | -17.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | S307 F309 K315 | S307-G311 PolarHBondContact O-N 2.91Å; S307-G311 VanDerWaalsContact O-N 3.13Å; F309-G311 VanDerWaalsContact C-N 3.33Å; F309-G311 PolarHBondContact O-N 3.38Å; G311-K315 WeakPolarHBondContact O-CD 3.17Å; G311-K315 WeakPolarHBondContact O-CG 3.38Å |
| 312 | F | 83.7 | Confident | 87.3 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 5% | 0.048 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -88.6 | -45.9 | 169.3 | 169.8 | -110.8 | 0 | 0 | 0 | 111.5 | C21 Y22 L231 A232 A308 F309 D310 K315 H316 | C21-F312 HydrophobicContact CB-CB 4.04Å; Y22-F312 HydrophobicContact CD2-CE1 4.29Å; Y22-F312 HydrophobicContact CD2-CE2 4.29Å; Y22-F312 HydrophobicContact CD2-CZ 4.1Å; Y22-F312 HydrophobicContact CG-CE2 4.39Å; L231-F312 HydrophobicContact CB-CE1 3.86Å; L231-F312 HydrophobicContact CB-CZ 4.2Å; L231-F312 HydrophobicContact CD1-CE1 4.1Å; A232-F312 HydrophobicContact CB-CZ 4.1Å; A308-F312 PolarHBondContact O-N 2.8Å; F309-F312 HydrophobicContact CD2-CD1 4.42Å; F309-F312 HydrophobicContact CE2-CD1 4.36Å; F309-F312 PolarHBondContact O-N 3.37Å; F309-F312 VanDerWaalsContact O-N 3.11Å; D310-F312 PolarHBondContact O-N 3.41Å; F312-K315 PolarHBondContact O-N 3.35Å; F312-H316 WeakPolarHBondContact O-CB 3.37Å; F312-H316 PolarHBondContact O-N 3.16Å |
| 313 | F | 88.6 | Confident | 87 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.3 | -49.5 | -179 | -179 | -93.5 | 0 | 0 | 0 | 111.8 | F227 L231 H250 Y254 F309 D310 K315 H316 H317 | F227-F313 HydrophobicContact CZ-CE2 4.37Å; L231-F313 HydrophobicContact CD1-CD2 3.83Å; L231-F313 HydrophobicContact CD1-CE2 4.47Å; H250-F313 HydrophobicContact CB-CE2 4.39Å; Y254-F313 AromaticContact CD1-CD1 3.98Å; Y254-F313 HydrophobicContact CD1-CD1 3.98Å; Y254-F313 AromaticContact CD1-CE1 3.63Å; Y254-F313 HydrophobicContact CD1-CE1 3.63Å; Y254-F313 HydrophobicContact CD1-CZ 4.03Å; Y254-F313 HydrophobicContact CD2-CB 4.38Å; Y254-F313 AromaticContact CD2-CD1 3.84Å; Y254-F313 HydrophobicContact CD2-CD1 3.84Å; Y254-F313 HydrophobicContact CD2-CD2 4.03Å; Y254-F313 HydrophobicContact CD2-CE1 4.17Å; Y254-F313 HydrophobicContact CD2-CE2 4.34Å; Y254-F313 AromaticContact CD2-CG 3.79Å; Y254-F313 HydrophobicContact CD2-CG 3.79Å; Y254-F313 HydrophobicContact CD2-CZ 4.41Å; Y254-F313 AromaticContact CE1-CD1 3.96Å; Y254-F313 HydrophobicContact CE1-CD1 3.96Å; Y254-F313 AromaticContact CE1-CE1 3.93Å; Y254-F313 HydrophobicContact CE1-CE1 3.93Å; Y254-F313 HydrophobicContact CE2-CB 4.25Å; Y254-F313 AromaticContact CE2-CD1 3.87Å; Y254-F313 HydrophobicContact CE2-CD1 3.87Å; Y254-F313 HydrophobicContact CE2-CE1 4.48Å; Y254-F313 AromaticContact CE2-CG 3.99Å; Y254-F313 HydrophobicContact CE2-CG 3.99Å; Y254-F313 AromaticContact CG-CD1 3.91Å; Y254-F313 HydrophobicContact CG-CD1 3.91Å; Y254-F313 HydrophobicContact CG-CD2 4.21Å; Y254-F313 AromaticContact CG-CE1 3.74Å; Y254-F313 HydrophobicContact CG-CE1 3.74Å; Y254-F313 HydrophobicContact CG-CE2 4.05Å; Y254-F313 HydrophobicContact CG-CG 4.16Å; Y254-F313 AromaticContact CG-CZ 3.82Å; Y254-F313 HydrophobicContact CG-CZ 3.82Å; Y254-F313 AromaticContact CZ-CD1 3.89Å; F309-F313 WeakPolarHBondContact O-CB 3.3Å; F309-F313 PolarHBondContact O-N 3.35Å; D310-F313 PolarHBondContact O-N 2.98Å; F313-K315 VanDerWaalsContact C-N 3.29Å; F313-K315 PolarHBondContact O-N 3.34Å; F313-H316 PolarHBondContact O-N 2.78Å; F313-H317 HydrophobicContact CD1-CB 4.38Å; F313-H317 HydrophobicContact CE1-CB 4.04Å; F313-H317 HydrophobicContact CZ-CB 4.27Å; F313-H317 WeakPolarHBondContact O-CB 3.39Å; F313-H317 PolarHBondContact O-N 3.31Å |
| 314 | E | 88.1 | Confident | 86.9 | Confident | 103 Ų | 103 | 38.2 Ų | 38.2 | 48% | 0.481 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.7 | -37.1 | -178.7 | -67 | -62.2 | 145.4 | 0 | 0 | 112.4 | D310 L318 | D310-E314 WeakPolarHBondContact O-CG 3.35Å; D310-E314 PolarHBondContact O-N 3.42Å; E314-L318 VanDerWaalsContact O-CB 3.28Å; E314-L318 WeakPolarHBondContact O-CB 3.47Å; E314-L318 PolarHBondContact O-N 3.38Å |
| 315 | K | 83.1 | Confident | 87 | Confident | 79 Ų | 79 | 38.4 Ų | 38.4 | 34% | 0.343 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.8 | -51 | 175.5 | -67.7 | 178 | -179.9 | 173.3 | 0 | 111.6 | A17 E18 C21 G311 F312 F313 H317 L318 K319 | A17-K315 PolarHBondContact O-NZ 3.24Å; E18-K315 HydrophobicContact CG-CB 4.06Å; E18-K315 HydrophobicContact CG-CD 4.17Å; C21-K315 PolarHBondContact SG-NZ 3.35Å; G311-K315 WeakPolarHBondContact O-CD 3.17Å; G311-K315 WeakPolarHBondContact O-CG 3.38Å; F312-K315 PolarHBondContact O-N 3.35Å; F313-K315 VanDerWaalsContact C-N 3.29Å; F313-K315 PolarHBondContact O-N 3.34Å; K315-H317 VanDerWaalsContact C-N 3.32Å; K315-H317 PolarHBondContact O-N 3.14Å; K315-L318 PolarHBondContact O-N 3.28Å; K315-K319 PolarHBondContact O-N 2.93Å |
| 316 | H | 83.8 | Confident | 87 | Confident | 22 Ų | 22 | 39 Ų | 39 | 10% | 0.102 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 178.2 | 173.7 | 92.5 | 0 | 0 | 0 | 111.5 | E18 L231 H250 F312 F313 K319 L320 | E18-H316 PolarHBondContact OE1-N 3.47Å; L231-H316 PolarHBondContact O-CE1 3.38Å; L231-H316 PolarHBondContact O-ND1 2.98Å; H250-H316 AromaticContact CE1-NE2 3.99Å; H250-H316 AromaticContact ND1-NE2 3.69Å; F312-H316 WeakPolarHBondContact O-CB 3.37Å; F312-H316 PolarHBondContact O-N 3.16Å; F313-H316 PolarHBondContact O-N 2.78Å; H316-K319 PolarHBondContact O-N 2.91Å; H316-L320 WeakPolarHBondContact NE2-CD1 3.27Å; H316-L320 PolarHBondContact O-N 2.84Å |
| 317 | H | 88 | Confident | 86.8 | Confident | 32 Ų | 32 | 39.5 Ų | 39.5 | 15% | 0.148 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -43 | 178.6 | -171.8 | 51.1 | 0 | 0 | 0 | 111.7 | T251 F313 K315 L320 H321 | T251-H317 PolarHBondContact OG1-CE1 3.35Å; F313-H317 HydrophobicContact CD1-CB 4.38Å; F313-H317 HydrophobicContact CE1-CB 4.04Å; F313-H317 HydrophobicContact CZ-CB 4.27Å; F313-H317 WeakPolarHBondContact O-CB 3.39Å; F313-H317 PolarHBondContact O-N 3.31Å; K315-H317 VanDerWaalsContact C-N 3.32Å; K315-H317 PolarHBondContact O-N 3.14Å; H317-L320 PolarHBondContact O-N 2.98Å; H317-H321 AromaticContact CE1-CD2 3.85Å; H317-H321 AromaticContact CE1-NE2 3.62Å; H317-H321 AromaticContact NE2-CD2 3.93Å; H317-H321 AromaticContact NE2-NE2 3.71Å; H317-H321 WeakPolarHBondContact O-CB 3.37Å; H317-H321 PolarHBondContact O-N 2.96Å |
| 318 | L | 87.1 | Confident | 86.9 | Confident | 101 Ų | 101 | 42 Ų | 42 | 53% | 0.529 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 170.9 | 179.1 | 61.8 | 0 | 0 | 0 | 111.9 | E314 K315 H321 Q322 | E314-L318 VanDerWaalsContact O-CB 3.28Å; E314-L318 WeakPolarHBondContact O-CB 3.47Å; E314-L318 PolarHBondContact O-N 3.38Å; K315-L318 PolarHBondContact O-N 3.28Å; L318-H321 PolarHBondContact O-N 3.3Å; L318-Q322 HydrophobicContact CD1-CG 4.34Å; L318-Q322 WeakPolarHBondContact O-CB 3.42Å; L318-Q322 WeakPolarHBondContact O-CG 3.37Å; L318-Q322 PolarHBondContact O-N 2.81Å |
| 319 | K | 83.6 | Confident | 87.4 | Confident | 38 Ų | 38 | 41.2 Ų | 41.2 | 17% | 0.165 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.4 | -39.3 | 177.7 | -167.6 | 167.7 | -178.4 | 170.9 | 0 | 112 | K315 H316 Y323 L836 F839 | K315-K319 PolarHBondContact O-N 2.93Å; H316-K319 PolarHBondContact O-N 2.91Å; K319-Y323 WeakPolarHBondContact O-CB 3.36Å; K319-Y323 PolarHBondContact O-N 3.43Å; K319-L836 PolarHBondContact NZ-O 2.81Å; K319-L836 VanDerWaalsContact NZ-O 3.12Å; K319-F839 HydrophobicContact CD-CE2 4.18Å |
| 320 | L | 85.5 | Confident | 87.5 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 171.3 | -100.6 | 65.9 | 0 | 0 | 0 | 112.3 | L236 L246 L247 H316 H317 Q322 Y323 L324 | L236-L320 HydrophobicContact CD2-CD1 3.92Å; L236-L320 HydrophobicContact CD2-CG 4.26Å; L246-L320 HydrophobicContact CD2-CD2 4.14Å; L246-L320 HydrophobicContact CG-CD2 4.42Å; L247-L320 HydrophobicContact CD1-CB 4.31Å; H316-L320 WeakPolarHBondContact NE2-CD1 3.27Å; H316-L320 PolarHBondContact O-N 2.84Å; H317-L320 PolarHBondContact O-N 2.98Å; L320-Q322 PolarHBondContact O-N 3.21Å; L320-Y323 PolarHBondContact O-N 2.82Å; L320-L324 PolarHBondContact O-N 2.99Å |
| 321 | H | 89.1 | Confident | 87.5 | Confident | 78 Ų | 78 | 45.8 Ų | 45.8 | 36% | 0.361 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 175.2 | -95.1 | -58.8 | 0 | 0 | 0 | 112.1 | H317 L318 Y323 L324 Q325 | H317-H321 AromaticContact CE1-CD2 3.85Å; H317-H321 AromaticContact CE1-NE2 3.62Å; H317-H321 AromaticContact NE2-CD2 3.93Å; H317-H321 AromaticContact NE2-NE2 3.71Å; H317-H321 WeakPolarHBondContact O-CB 3.37Å; H317-H321 PolarHBondContact O-N 2.96Å; L318-H321 PolarHBondContact O-N 3.3Å; H321-Y323 VanDerWaalsContact C-N 3.34Å; H321-L324 PolarHBondContact O-N 3.5Å; H321-Q325 WeakPolarHBondContact O-CG 3.2Å; H321-Q325 PolarHBondContact O-N 2.95Å |
| 322 | Q | 87.8 | Confident | 88 | Confident | 25 Ų | 25 | 46.5 Ų | 46.5 | 12% | 0.117 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.9 | -33.5 | 174.7 | -73.8 | -171.3 | 6.5 | 0 | 0 | 112 | L318 L320 Q325 L326 H396 Y397 | L318-Q322 HydrophobicContact CD1-CG 4.34Å; L318-Q322 WeakPolarHBondContact O-CB 3.42Å; L318-Q322 WeakPolarHBondContact O-CG 3.37Å; L318-Q322 PolarHBondContact O-N 2.81Å; L320-Q322 PolarHBondContact O-N 3.21Å; Q322-Q325 PolarHBondContact O-N 3.34Å; Q322-L326 WeakPolarHBondContact O-CB 3.29Å; Q322-L326 PolarHBondContact O-N 3.28Å; Q322-H396 PolarHBondContact O-CE1 3.09Å; Q322-H396 PolarHBondContact O-NE2 3.32Å; Q322-Y397 HydrophobicContact CB-CD1 3.68Å; Q322-Y397 HydrophobicContact CB-CE1 3.66Å |
| 323 | Y | 85.8 | Confident | 88.6 | Confident | 20 Ų | 20 | 46 Ų | 46 | 8% | 0.078 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 173 | -175.7 | -104.1 | 0 | 0 | 0 | 111.9 | L236 P237 I243 K319 L320 H321 L326 L327 Y397 | L236-Y323 HydrophobicContact CB-CE1 4.2Å; L236-Y323 HydrophobicContact CD1-CD1 4.33Å; L236-Y323 HydrophobicContact CD1-CD2 4.47Å; L236-Y323 HydrophobicContact CD1-CE1 4.41Å; L236-Y323 HydrophobicContact CD1-CG 4.37Å; P237-Y323 WeakPolarHBondContact O-CE1 3.03Å; P237-Y323 PolarHBondContact O-OH 2.66Å; I243-Y323 HydrophobicContact CD1-CD1 3.66Å; I243-Y323 HydrophobicContact CD1-CE1 3.62Å; I243-Y323 HydrophobicContact CG1-CD1 3.91Å; I243-Y323 HydrophobicContact CG1-CE1 3.81Å; I243-Y323 HydrophobicContact CG2-CD1 4.43Å; K319-Y323 WeakPolarHBondContact O-CB 3.36Å; K319-Y323 PolarHBondContact O-N 3.43Å; L320-Y323 PolarHBondContact O-N 2.82Å; H321-Y323 VanDerWaalsContact C-N 3.34Å; Y323-L326 PolarHBondContact O-N 3.38Å; Y323-L327 HydrophobicContact CD1-CD1 4.05Å; Y323-L327 HydrophobicContact CD1-CG 4.44Å; Y323-L327 HydrophobicContact CE1-CD1 3.58Å; Y323-L327 HydrophobicContact CE1-CG 4.08Å; Y323-L327 WeakPolarHBondContact O-CG 3.32Å; Y323-L327 PolarHBondContact O-N 3.15Å; Y323-Y397 WeakPolarHBondContact CD2-OH 3.35Å |
| 324 | L | 88.1 | Confident | 88.8 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | 173 | -177.8 | 60.6 | 0 | 0 | 0 | 112.9 | G240 I243 E244 L320 H321 L326 L327 R328 | G240-L324 WeakPolarHBondContact O-CD1 3.36Å; I243-L324 HydrophobicContact CB-CD1 4.39Å; I243-L324 HydrophobicContact CG2-CB 3.87Å; I243-L324 HydrophobicContact CG2-CD1 4.23Å; I243-L324 HydrophobicContact CG2-CG 4.48Å; E244-L324 HydrophobicContact CG-CD1 3.92Å; E244-L324 HydrophobicContact CG-CD2 3.52Å; E244-L324 HydrophobicContact CG-CG 4.38Å; L320-L324 PolarHBondContact O-N 2.99Å; H321-L324 PolarHBondContact O-N 3.5Å; L324-L326 VanDerWaalsContact C-N 3.33Å; L324-L327 PolarHBondContact O-N 3.48Å; L324-R328 HydrophobicContact CD1-CG 4.46Å; L324-R328 WeakPolarHBondContact O-CG 3.22Å; L324-R328 PolarHBondContact O-N 2.94Å; L324-R328 VanDerWaalsContact O-N 3.11Å |
| 325 | Q | 90.6 | Very high | 89.1 | Confident | 78 Ų | 78 | 50.8 Ų | 50.8 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59 | -45.2 | 174 | -76.1 | 174.2 | -32.7 | 0 | 0 | 111.1 | H321 Q322 R328 Y329 L391 | H321-Q325 WeakPolarHBondContact O-CG 3.2Å; H321-Q325 PolarHBondContact O-N 2.95Å; Q322-Q325 PolarHBondContact O-N 3.34Å; Q325-R328 PolarHBondContact O-N 3.48Å; Q325-Y329 VanDerWaalsContact O-CB 3.31Å; Q325-Y329 WeakPolarHBondContact O-CB 3.27Å; Q325-Y329 PolarHBondContact O-N 3.43Å; Q325-L391 HydrophobicContact CB-CD2 4.28Å; Q325-L391 HydrophobicContact CG-CD2 4.38Å |
| 326 | L | 89.6 | Confident | 89.7 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 7% | 0.068 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -45.6 | 176.6 | -179.3 | 68.3 | 0 | 0 | 0 | 112.7 | Q322 Y323 L324 R328 Y329 E330 Y397 A398 L401 I402 M833 | Q322-L326 WeakPolarHBondContact O-CB 3.29Å; Q322-L326 PolarHBondContact O-N 3.28Å; Y323-L326 PolarHBondContact O-N 3.38Å; L324-L326 VanDerWaalsContact C-N 3.33Å; L326-R328 VanDerWaalsContact C-N 3.32Å; L326-R328 PolarHBondContact O-N 2.71Å; L326-Y329 PolarHBondContact O-N 2.89Å; L326-Y329 VanDerWaalsContact O-N 3.17Å; L326-E330 HydrophobicContact CD1-CG 4.29Å; L326-E330 PolarHBondContact O-N 2.82Å; L326-Y397 VanDerWaalsContact CD2-OH 3.32Å; L326-Y397 WeakPolarHBondContact CD2-OH 3.37Å; L326-A398 HydrophobicContact CD1-CB 3.91Å; L326-A398 HydrophobicContact CD2-CB 4.03Å; L326-A398 HydrophobicContact CG-CB 4.45Å; L326-L401 HydrophobicContact CD1-CD2 4.49Å; L326-I402 HydrophobicContact CD1-CD1 4.35Å; L326-I402 HydrophobicContact CD1-CG1 4.03Å; L326-M833 HydrophobicContact CD1-CE 4.35Å; L326-M833 HydrophobicContact CD2-CE 3.35Å; L326-M833 HydrophobicContact CG-CE 4.49Å |
| 327 | L | 86.9 | Confident | 90.2 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 22% | 0.22 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 178.6 | -74.8 | 179.3 | 0 | 0 | 0 | 111.5 | I243 Y323 L324 Q331 | I243-L327 HydrophobicContact CG1-CD1 4.1Å; Y323-L327 HydrophobicContact CD1-CD1 4.05Å; Y323-L327 HydrophobicContact CD1-CG 4.44Å; Y323-L327 HydrophobicContact CE1-CD1 3.58Å; Y323-L327 HydrophobicContact CE1-CG 4.08Å; Y323-L327 WeakPolarHBondContact O-CG 3.32Å; Y323-L327 PolarHBondContact O-N 3.15Å; L324-L327 PolarHBondContact O-N 3.48Å; L327-Q331 PolarHBondContact O-N 3.16Å |
| 328 | R | 90.9 | Very high | 90.5 | Very high | 131 Ų | 131 | 52.8 Ų | 52.8 | 49% | 0.494 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 175.7 | -68.4 | 171.4 | 174.7 | -169.7 | -1.9 | 111.9 | E244 L324 Q325 L326 Q331 S332 | E244-R328 IonicContact OE1-CZ 3.79Å; E244-R328 IonicContact OE1-NE 3.36Å; E244-R328 PolarHBondContact OE1-NE 3.28Å; E244-R328 IonicContact OE1-NH2 2.86Å; E244-R328 PolarHBondContact OE1-NH2 3.24Å; L324-R328 HydrophobicContact CD1-CG 4.46Å; L324-R328 WeakPolarHBondContact O-CG 3.22Å; L324-R328 PolarHBondContact O-N 2.94Å; L324-R328 VanDerWaalsContact O-N 3.11Å; Q325-R328 PolarHBondContact O-N 3.48Å; L326-R328 VanDerWaalsContact C-N 3.32Å; L326-R328 PolarHBondContact O-N 2.71Å; R328-Q331 PolarHBondContact O-N 3.26Å; R328-S332 PolarHBondContact O-N 3.06Å; R328-S332 PolarHBondContact O-OG 3.37Å |
| 329 | Y | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -46.4 | 177.3 | 177.1 | -88.9 | 0 | 0 | 0 | 112.5 | Q325 L326 Q331 S332 F333 I384 H387 L391 I402 R405 C406 | Q325-Y329 VanDerWaalsContact O-CB 3.31Å; Q325-Y329 WeakPolarHBondContact O-CB 3.27Å; Q325-Y329 PolarHBondContact O-N 3.43Å; L326-Y329 PolarHBondContact O-N 2.89Å; L326-Y329 VanDerWaalsContact O-N 3.17Å; Y329-Q331 VanDerWaalsContact C-N 3.32Å; Y329-Q331 PolarHBondContact O-N 2.85Å; Y329-S332 PolarHBondContact O-N 2.65Å; Y329-F333 WeakPolarHBondContact O-CB 3.38Å; Y329-F333 PolarHBondContact O-N 2.9Å; Y329-I384 HydrophobicContact CE2-CG2 3.98Å; Y329-H387 AromaticContact CD2-ND1 3.85Å; Y329-L391 HydrophobicContact CD2-CD1 4.18Å; Y329-L391 HydrophobicContact CG-CD1 4.36Å; Y329-I402 HydrophobicContact CD1-CG1 4.36Å; Y329-I402 HydrophobicContact CE1-CB 4.45Å; Y329-I402 HydrophobicContact CE1-CG1 4.39Å; Y329-I402 HydrophobicContact CE1-CG2 4.08Å; Y329-I402 HydrophobicContact CE2-CG2 4.2Å; Y329-I402 PolarHBondContact OH-O 2.89Å; Y329-R405 HydrophobicContact CE1-CB 3.71Å; Y329-R405 HydrophobicContact CE1-CG 3.97Å; Y329-R405 WeakPolarHBondContact OH-CB 3.5Å; Y329-C406 PolarHBondContact OH-SG 3.44Å |
| 330 | E | 90.8 | Very high | 91.5 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 13% | 0.131 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -35.4 | 175.4 | -82.1 | -77.4 | 146.3 | 0 | 0 | 111.7 | L326 F333 Q334 R405 | L326-E330 HydrophobicContact CD1-CG 4.29Å; L326-E330 PolarHBondContact O-N 2.82Å; E330-F333 PolarHBondContact O-N 2.87Å; E330-Q334 WeakPolarHBondContact O-CB 3.2Å; E330-Q334 VanDerWaalsContact O-CG 3.25Å; E330-Q334 WeakPolarHBondContact O-CG 3.33Å; E330-Q334 PolarHBondContact O-N 3.15Å; E330-R405 WeakPolarHBondContact OE1-CG 3.15Å; E330-R405 IonicContact OE1-CZ 3.33Å; E330-R405 IonicContact OE1-NE 2.67Å; E330-R405 PolarHBondContact OE1-NE 3.36Å; E330-R405 IonicContact OE1-NH2 2.61Å; E330-R405 IonicContact OE2-CZ 3.12Å; E330-R405 IonicContact OE2-NE 2.68Å; E330-R405 IonicContact OE2-NH2 2.87Å; E330-R405 PolarHBondContact OE2-NH2 3.32Å |
| 331 | Q | 90.2 | Very high | 92 | Very high | 110 Ų | 110 | 53.1 Ų | 53.1 | 51% | 0.514 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62 | -51.9 | 171.8 | -177.4 | -176.4 | -16.6 | 0 | 0 | 111.2 | L327 R328 Y329 F333 Q334 E335 | L327-Q331 PolarHBondContact O-N 3.16Å; R328-Q331 PolarHBondContact O-N 3.26Å; Y329-Q331 VanDerWaalsContact C-N 3.32Å; Y329-Q331 PolarHBondContact O-N 2.85Å; Q331-F333 VanDerWaalsContact C-N 3.28Å; Q331-F333 PolarHBondContact O-N 3.4Å; Q331-Q334 PolarHBondContact O-N 3.01Å; Q331-E335 WeakPolarHBondContact CG-OE1 3.43Å; Q331-E335 PolarHBondContact NE2-OE1 2.91Å; Q331-E335 WeakPolarHBondContact O-CG 3.48Å; Q331-E335 PolarHBondContact O-N 3.24Å |
| 332 | S | 94.1 | Very high | 92.3 | Very high | 46 Ų | 46 | 54.6 Ų | 54.6 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.7 | -37.7 | 176.2 | -69.4 | 0 | 0 | 0 | 0 | 112.6 | R328 Y329 M336 | R328-S332 PolarHBondContact O-N 3.06Å; R328-S332 PolarHBondContact O-OG 3.37Å; Y329-S332 PolarHBondContact O-N 2.65Å; S332-M336 WeakPolarHBondContact O-CB 3.23Å; S332-M336 PolarHBondContact O-N 3.24Å |
| 333 | F | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -49.4 | 173.6 | 171.1 | -88.2 | 0 | 0 | 0 | 111.6 | Y329 E330 Q331 M336 E337 R405 E408 L409 | Y329-F333 WeakPolarHBondContact O-CB 3.38Å; Y329-F333 PolarHBondContact O-N 2.9Å; E330-F333 PolarHBondContact O-N 2.87Å; Q331-F333 VanDerWaalsContact C-N 3.28Å; Q331-F333 PolarHBondContact O-N 3.4Å; F333-M336 WeakPolarHBondContact O-CB 3.28Å; F333-M336 PolarHBondContact O-N 3.4Å; F333-M336 VanDerWaalsContact O-N 3.16Å; F333-E337 HydrophobicContact CE1-CB 4.32Å; F333-E337 VanDerWaalsContact CE1-CD 3.48Å; F333-E337 HydrophobicContact CE1-CG 4.48Å; F333-E337 WeakPolarHBondContact CE1-OE1 3.45Å; F333-E337 VanDerWaalsContact CE1-OE2 3.27Å; F333-E337 WeakPolarHBondContact CE1-OE2 3.32Å; F333-E337 HydrophobicContact CZ-CB 4.49Å; F333-E337 VanDerWaalsContact CZ-OE1 3.26Å; F333-E337 WeakPolarHBondContact CZ-OE1 3.45Å; F333-E337 VanDerWaalsContact O-CB 3.3Å; F333-E337 WeakPolarHBondContact O-CB 3.36Å; F333-E337 PolarHBondContact O-N 2.94Å; F333-R405 HydrophobicContact CD2-CB 3.63Å; F333-R405 HydrophobicContact CD2-CG 4.01Å; F333-R405 VanDerWaalsContact CE1-NH1 3.26Å; F333-R405 HydrophobicContact CE2-CB 3.8Å; F333-R405 HydrophobicContact CE2-CG 4.15Å; F333-R405 HydrophobicContact CG-CB 4.3Å; F333-R405 HydrophobicContact CG-CG 4.24Å; F333-E408 HydrophobicContact CE2-CB 4.15Å; F333-E408 HydrophobicContact CZ-CB 4.32Å; F333-L409 HydrophobicContact CD2-CD1 3.9Å; F333-L409 HydrophobicContact CD2-CD2 3.91Å; F333-L409 HydrophobicContact CD2-CG 3.66Å; F333-L409 HydrophobicContact CE2-CD1 4.45Å; F333-L409 HydrophobicContact CE2-CD2 3.87Å; F333-L409 HydrophobicContact CE2-CG 3.71Å |
| 334 | Q | 93.4 | Very high | 93.1 | Very high | 101 Ų | 101 | 53.5 Ų | 53.5 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | -179.3 | -71.3 | 165.2 | 30.6 | 0 | 0 | 112.1 | E330 Q331 M336 E337 M338 | E330-Q334 WeakPolarHBondContact O-CB 3.2Å; E330-Q334 VanDerWaalsContact O-CG 3.25Å; E330-Q334 WeakPolarHBondContact O-CG 3.33Å; E330-Q334 PolarHBondContact O-N 3.15Å; Q331-Q334 PolarHBondContact O-N 3.01Å; Q334-M336 VanDerWaalsContact C-N 3.28Å; Q334-M336 PolarHBondContact O-N 3.26Å; Q334-E337 PolarHBondContact O-N 3.25Å; Q334-M338 WeakPolarHBondContact O-CB 3.26Å; Q334-M338 VanDerWaalsContact O-CG 3.28Å; Q334-M338 WeakPolarHBondContact O-CG 3.36Å; Q334-M338 PolarHBondContact O-N 3.05Å |
| 335 | E | 94.3 | Very high | 93.3 | Very high | 104 Ų | 104 | 57.8 Ų | 57.8 | 49% | 0.486 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.5 | -37.4 | 173.4 | -71 | 173.1 | -171.7 | 0 | 0 | 111.8 | Q331 C339 | Q331-E335 WeakPolarHBondContact CG-OE1 3.43Å; Q331-E335 PolarHBondContact NE2-OE1 2.91Å; Q331-E335 WeakPolarHBondContact O-CG 3.48Å; Q331-E335 PolarHBondContact O-N 3.24Å; E335-C339 PolarHBondContact O-N 2.89Å; E335-C339 PolarHBondContact O-SG 3Å |
| 336 | M | 96.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.9 | -42.4 | 178.3 | -164.1 | 74.3 | -110.3 | 0 | 0 | 112.8 | S332 F333 Q334 C339 L340 V377 R380 A381 I384 L409 | S332-M336 WeakPolarHBondContact O-CB 3.23Å; S332-M336 PolarHBondContact O-N 3.24Å; F333-M336 WeakPolarHBondContact O-CB 3.28Å; F333-M336 PolarHBondContact O-N 3.4Å; F333-M336 VanDerWaalsContact O-N 3.16Å; Q334-M336 VanDerWaalsContact C-N 3.28Å; Q334-M336 PolarHBondContact O-N 3.26Å; M336-C339 HydrophobicContact CE-CB 4.19Å; M336-C339 WeakPolarHBondContact O-CB 3.44Å; M336-C339 PolarHBondContact O-N 2.95Å; M336-L340 HydrophobicContact CE-CG 4.25Å; M336-L340 HydrophobicContact CG-CD1 4.31Å; M336-L340 WeakPolarHBondContact O-CG 3.17Å; M336-L340 PolarHBondContact O-N 3.48Å; M336-V377 HydrophobicContact CE-CB 4.36Å; M336-V377 HydrophobicContact CE-CG1 3.26Å; M336-V377 WeakPolarHBondContact CE-O 3.43Å; M336-R380 HydrophobicContact CE-CB 4.32Å; M336-R380 HydrophobicContact SD-CB 4.01Å; M336-A381 HydrophobicContact CE-CB 4.07Å; M336-A381 HydrophobicContact CG-CB 3.78Å; M336-A381 VanDerWaalsContact SD-CA 3.55Å; M336-A381 HydrophobicContact SD-CB 3.84Å; M336-A381 PolarHBondContact SD-N 3.33Å; M336-A381 VanDerWaalsContact SD-N 3.37Å; M336-I384 HydrophobicContact CB-CD1 3.71Å; M336-I384 HydrophobicContact CG-CD1 3.81Å; M336-I384 HydrophobicContact SD-CD1 3.72Å; M336-L409 HydrophobicContact CB-CD2 4.08Å; M336-L409 HydrophobicContact CG-CD1 4.27Å; M336-L409 HydrophobicContact CG-CD2 3.88Å |
| 337 | E | 94.1 | Very high | 93.7 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 24% | 0.238 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -50.5 | 176.8 | -175.3 | 169.7 | -120.8 | 0 | 0 | 110 | F333 Q334 C339 L340 E341 | F333-E337 HydrophobicContact CE1-CB 4.32Å; F333-E337 VanDerWaalsContact CE1-CD 3.48Å; F333-E337 HydrophobicContact CE1-CG 4.48Å; F333-E337 WeakPolarHBondContact CE1-OE1 3.45Å; F333-E337 VanDerWaalsContact CE1-OE2 3.27Å; F333-E337 WeakPolarHBondContact CE1-OE2 3.32Å; F333-E337 HydrophobicContact CZ-CB 4.49Å; F333-E337 VanDerWaalsContact CZ-OE1 3.26Å; F333-E337 WeakPolarHBondContact CZ-OE1 3.45Å; F333-E337 VanDerWaalsContact O-CB 3.3Å; F333-E337 WeakPolarHBondContact O-CB 3.36Å; F333-E337 PolarHBondContact O-N 2.94Å; Q334-E337 PolarHBondContact O-N 3.25Å; E337-C339 VanDerWaalsContact C-N 3.28Å; E337-C339 PolarHBondContact O-N 3.44Å; E337-L340 PolarHBondContact O-N 3.45Å; E337-L340 VanDerWaalsContact O-N 3.12Å; E337-E341 PolarHBondContact O-N 3.15Å |
| 338 | M | 94 | Very high | 93.9 | Very high | 121 Ų | 121 | 63.4 Ų | 63.4 | 60% | 0.596 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -57.4 | -36.8 | 174.2 | -71.7 | -62.3 | -48.9 | 0 | 0 | 113.4 | Q334 H342 | Q334-M338 WeakPolarHBondContact O-CB 3.26Å; Q334-M338 VanDerWaalsContact O-CG 3.28Å; Q334-M338 WeakPolarHBondContact O-CG 3.36Å; Q334-M338 PolarHBondContact O-N 3.05Å; M338-H342 WeakPolarHBondContact O-CB 3.47Å; M338-H342 PolarHBondContact O-N 3.38Å; M338-H342 VanDerWaalsContact O-N 3.1Å |
| 339 | C | 96.4 | Very high | 93.9 | Very high | 45 Ų | 45 | 63.8 Ų | 63.8 | 30% | 0.304 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.4 | -41.6 | 176.1 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | E335 M336 E337 H342 L343 V377 | E335-C339 PolarHBondContact O-N 2.89Å; E335-C339 PolarHBondContact O-SG 3Å; M336-C339 HydrophobicContact CE-CB 4.19Å; M336-C339 WeakPolarHBondContact O-CB 3.44Å; M336-C339 PolarHBondContact O-N 2.95Å; E337-C339 VanDerWaalsContact C-N 3.28Å; E337-C339 PolarHBondContact O-N 3.44Å; C339-H342 PolarHBondContact O-N 2.9Å; C339-L343 WeakPolarHBondContact O-CG 3.27Å; C339-L343 PolarHBondContact O-N 3.48Å; C339-L343 VanDerWaalsContact O-N 3.16Å; C339-V377 HydrophobicContact CB-CG1 3.91Å |
| 340 | L | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.1 | -42.1 | 178.5 | -69.7 | 168.9 | 0 | 0 | 0 | 111.5 | M336 E337 H342 L343 M344 V377 M378 A381 L409 H412 L416 | M336-L340 HydrophobicContact CE-CG 4.25Å; M336-L340 HydrophobicContact CG-CD1 4.31Å; M336-L340 WeakPolarHBondContact O-CG 3.17Å; M336-L340 PolarHBondContact O-N 3.48Å; E337-L340 PolarHBondContact O-N 3.45Å; E337-L340 VanDerWaalsContact O-N 3.12Å; L340-H342 VanDerWaalsContact C-N 3.32Å; L340-H342 PolarHBondContact O-N 3.27Å; L340-L343 PolarHBondContact O-N 3.34Å; L340-M344 WeakPolarHBondContact O-CG 3.44Å; L340-M344 PolarHBondContact O-N 3.26Å; L340-V377 HydrophobicContact CD2-CG1 3.98Å; L340-V377 HydrophobicContact CG-CG1 4.39Å; L340-M378 HydrophobicContact CD2-CG 4.26Å; L340-A381 HydrophobicContact CD1-CB 4.26Å; L340-L409 HydrophobicContact CD1-CD2 3.98Å; L340-H412 HydrophobicContact CB-CB 4.41Å; L340-H412 HydrophobicContact CD1-CB 4.02Å; L340-L416 HydrophobicContact CD2-CD2 4.34Å |
| 341 | E | 94.3 | Very high | 93.2 | Very high | 106 Ų | 106 | 67.6 Ų | 67.6 | 50% | 0.495 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.3 | -41.7 | 172.7 | -74.6 | -157.1 | 137.6 | 0 | 0 | 111.9 | E337 L343 M344 H345 | E337-E341 PolarHBondContact O-N 3.15Å; E341-L343 PolarHBondContact O-N 3.03Å; E341-M344 PolarHBondContact O-N 2.88Å; E341-H345 PolarHBondContact O-N 3.35Å |
| 342 | H | 95.4 | Very high | 92.7 | Very high | 110 Ų | 110 | 64.7 Ų | 64.7 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 177.2 | -171.3 | 68.6 | 0 | 0 | 0 | 112 | M338 C339 L340 H345 Q346 | M338-H342 WeakPolarHBondContact O-CB 3.47Å; M338-H342 PolarHBondContact O-N 3.38Å; M338-H342 VanDerWaalsContact O-N 3.1Å; C339-H342 PolarHBondContact O-N 2.9Å; L340-H342 VanDerWaalsContact C-N 3.32Å; L340-H342 PolarHBondContact O-N 3.27Å; H342-H345 PolarHBondContact O-N 2.75Å; H342-Q346 PolarHBondContact CD2-NE2 2.9Å; H342-Q346 VanDerWaalsContact CD2-NE2 3.3Å; H342-Q346 PolarHBondContact NE2-NE2 3.1Å; H342-Q346 WeakPolarHBondContact O-CG 3.23Å; H342-Q346 PolarHBondContact O-N 2.96Å |
| 343 | L | 95.9 | Very high | 92 | Very high | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 174.2 | -71.2 | 171.3 | 0 | 0 | 0 | 112.6 | C339 L340 E341 H345 Q346 E347 L370 A374 V377 L416 | C339-L343 WeakPolarHBondContact O-CG 3.27Å; C339-L343 PolarHBondContact O-N 3.48Å; C339-L343 VanDerWaalsContact O-N 3.16Å; L340-L343 PolarHBondContact O-N 3.34Å; E341-L343 PolarHBondContact O-N 3.03Å; L343-H345 VanDerWaalsContact C-N 3.25Å; L343-H345 PolarHBondContact O-N 3.09Å; L343-Q346 PolarHBondContact O-N 2.61Å; L343-E347 WeakPolarHBondContact O-CB 3.41Å; L343-E347 PolarHBondContact O-N 3.27Å; L343-L370 HydrophobicContact CD2-CD1 3.74Å; L343-A374 HydrophobicContact CD1-CB 4.12Å; L343-V377 HydrophobicContact CD1-CB 3.63Å; L343-V377 HydrophobicContact CD1-CG1 3.63Å; L343-V377 HydrophobicContact CD1-CG2 3.92Å; L343-L416 HydrophobicContact CB-CD1 4.45Å; L343-L416 HydrophobicContact CB-CD2 3.77Å; L343-L416 HydrophobicContact CD1-CD2 4.01Å |
| 344 | M | 94.6 | Very high | 91.4 | Very high | 18 Ų | 18 | 69.2 Ų | 69.2 | 9% | 0.089 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.2 | -29.5 | 174.5 | -70 | 179.4 | 79.7 | 0 | 0 | 112 | L340 E341 R348 T415 L416 | L340-M344 WeakPolarHBondContact O-CG 3.44Å; L340-M344 PolarHBondContact O-N 3.26Å; E341-M344 PolarHBondContact O-N 2.88Å; M344-R348 VanDerWaalsContact O-CD 3.28Å; M344-R348 WeakPolarHBondContact O-CD 2.95Å; M344-R348 WeakPolarHBondContact O-CG 3.32Å; M344-R348 PolarHBondContact O-N 3.25Å; M344-T415 HydrophobicContact CE-CG2 3.8Å; M344-L416 HydrophobicContact CG-CB 4.11Å; M344-L416 HydrophobicContact CG-CD1 3.97Å; M344-L416 HydrophobicContact CG-CG 4.42Å |
| 345 | H | 93.8 | Very high | 90.7 | Very high | 101 Ų | 101 | 65.9 Ų | 65.9 | 47% | 0.468 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.9 | -46.2 | 170.4 | -174.4 | 12.9 | 0 | 0 | 0 | 111.8 | E341 H342 L343 E347 R348 E349 | E341-H345 PolarHBondContact O-N 3.35Å; H342-H345 PolarHBondContact O-N 2.75Å; L343-H345 VanDerWaalsContact C-N 3.25Å; L343-H345 PolarHBondContact O-N 3.09Å; H345-E347 VanDerWaalsContact C-N 3.31Å; H345-E347 PolarHBondContact O-N 2.9Å; H345-R348 PolarHBondContact O-N 3.31Å; H345-E349 IonicContact CE1-OE1 3.22Å; H345-E349 PolarHBondContact CE1-OE1 3.2Å; H345-E349 IonicContact ND1-OE1 2.66Å; H345-E349 WeakPolarHBondContact O-CG 3.35Å; H345-E349 PolarHBondContact O-N 3.43Å |
| 346 | Q | 93.6 | Very high | 90.3 | Very high | 70 Ų | 70 | 64.1 Ų | 64.1 | 33% | 0.327 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.8 | -43 | 174.9 | -71 | -175.7 | 5.8 | 0 | 0 | 111.8 | H342 L343 E349 L350 L370 | H342-Q346 PolarHBondContact CD2-NE2 2.9Å; H342-Q346 VanDerWaalsContact CD2-NE2 3.3Å; H342-Q346 PolarHBondContact NE2-NE2 3.1Å; H342-Q346 WeakPolarHBondContact O-CG 3.23Å; H342-Q346 PolarHBondContact O-N 2.96Å; L343-Q346 PolarHBondContact O-N 2.61Å; Q346-E349 PolarHBondContact O-N 2.97Å; Q346-L350 PolarHBondContact O-N 3.21Å; Q346-L370 HydrophobicContact CB-CD1 4.06Å; Q346-L370 HydrophobicContact CB-CD2 4.43Å; Q346-L370 VanDerWaalsContact OE1-CD1 3.27Å |
| 347 | E | 94.1 | Very high | 89.9 | Confident | 19 Ų | 19 | 66.5 Ų | 66.5 | 9% | 0.089 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.8 | -51.6 | 173.6 | -179.5 | -75 | 115.7 | 0 | 0 | 110.7 | L343 H345 E349 L350 L370 L416 A419 L420 K423 | L343-E347 WeakPolarHBondContact O-CB 3.41Å; L343-E347 PolarHBondContact O-N 3.27Å; H345-E347 VanDerWaalsContact C-N 3.31Å; H345-E347 PolarHBondContact O-N 2.9Å; E347-E349 VanDerWaalsContact C-N 3.34Å; E347-E349 PolarHBondContact O-N 2.87Å; E347-L350 WeakPolarHBondContact O-CB 3.38Å; E347-L350 PolarHBondContact O-N 2.94Å; E347-L350 VanDerWaalsContact O-N 3.13Å; E347-L370 HydrophobicContact CB-CD2 4.28Å; E347-L416 HydrophobicContact CB-CD1 4.13Å; E347-L416 HydrophobicContact CG-CD1 4.32Å; E347-A419 HydrophobicContact CG-CB 4.11Å; E347-L420 HydrophobicContact CB-CD2 4.38Å; E347-L420 HydrophobicContact CG-CD2 3.97Å; E347-L420 HydrophobicContact CG-CG 4.4Å; E347-K423 PolarHBondContact O-NZ 3.3Å; E347-K423 WeakPolarHBondContact OE1-CD 3.28Å; E347-K423 WeakPolarHBondContact OE1-CE 3.35Å; E347-K423 IonicContact OE1-NZ 2.83Å; E347-K423 PolarHBondContact OE1-NZ 3.25Å |
| 348 | R | 92.3 | Very high | 89.6 | Confident | 163 Ų | 163 | 67.1 Ų | 67.1 | 62% | 0.615 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.7 | -37.8 | -180 | -71.7 | 164.9 | -172.6 | 167.5 | 2.1 | 113.3 | M344 H345 L350 | M344-R348 VanDerWaalsContact O-CD 3.28Å; M344-R348 WeakPolarHBondContact O-CD 2.95Å; M344-R348 WeakPolarHBondContact O-CG 3.32Å; M344-R348 PolarHBondContact O-N 3.25Å; H345-R348 PolarHBondContact O-N 3.31Å; R348-L350 VanDerWaalsContact C-N 3.25Å; R348-L350 PolarHBondContact O-N 2.86Å |
| 349 | E | 90.1 | Very high | 89.4 | Confident | 139 Ų | 139 | 65.8 Ų | 65.8 | 65% | 0.65 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.5 | -20.9 | 177.1 | -69.6 | -65.3 | 120.3 | 0 | 0 | 113.3 | H345 Q346 E347 S351 | H345-E349 IonicContact CE1-OE1 3.22Å; H345-E349 PolarHBondContact CE1-OE1 3.2Å; H345-E349 IonicContact ND1-OE1 2.66Å; H345-E349 WeakPolarHBondContact O-CG 3.35Å; H345-E349 PolarHBondContact O-N 3.43Å; Q346-E349 PolarHBondContact O-N 2.97Å; E347-E349 VanDerWaalsContact C-N 3.34Å; E347-E349 PolarHBondContact O-N 2.87Å; E349-S351 VanDerWaalsContact C-N 3.32Å; E349-S351 PolarHBondContact O-N 3.14Å |
| 350 | L | 88.1 | Confident | 89.1 | Confident | 34 Ų | 34 | 63.7 Ų | 63.7 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | trans | -70.9 | 87.1 | 171.5 | -66.3 | -178.8 | 0 | 0 | 0 | 110.8 | Q346 E347 R348 L363 L367 L370 K423 | Q346-L350 PolarHBondContact O-N 3.21Å; E347-L350 WeakPolarHBondContact O-CB 3.38Å; E347-L350 PolarHBondContact O-N 2.94Å; E347-L350 VanDerWaalsContact O-N 3.13Å; R348-L350 VanDerWaalsContact C-N 3.25Å; R348-L350 PolarHBondContact O-N 2.86Å; L350-L363 HydrophobicContact CD2-CD1 4.01Å; L350-L367 HydrophobicContact CD1-CD1 3.89Å; L350-L370 HydrophobicContact CD1-CD2 3.58Å; L350-L370 HydrophobicContact CG-CD2 4.46Å; L350-K423 PolarHBondContact O-NZ 3.2Å | ||
| 351 | S | 80.8 | Confident | 88.9 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 51% | 0.51 | 35% | 0.345 | S | S | . | . | trans | -65.8 | 128.7 | 171.6 | -171.8 | 0 | 0 | 0 | 0 | 111.5 | E349 N353 L363 | E349-S351 VanDerWaalsContact C-N 3.32Å; E349-S351 PolarHBondContact O-N 3.14Å; S351-N353 VanDerWaalsContact C-N 3.26Å; S351-N353 PolarHBondContact O-N 2.94Å; S351-L363 WeakPolarHBondContact O-CD2 3.48Å | ||
| 352 | I | 80.8 | Confident | 88.7 | Confident | 49 Ų | 49 | 68.7 Ų | 68.7 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | trans | -87.4 | 12.8 | -174.3 | -21.9 | 175.1 | 0 | 0 | 0 | 113 | V354 K423 F426 L427 | I352-V354 VanDerWaalsContact C-N 3.33Å; I352-V354 PolarHBondContact O-N 3.09Å; I352-K423 HydrophobicContact CD1-CD 4.27Å; I352-K423 HydrophobicContact CD1-CG 3.93Å; I352-K423 HydrophobicContact CG1-CD 4.36Å; I352-K423 HydrophobicContact CG1-CG 4.47Å; I352-F426 HydrophobicContact CB-CD1 4.46Å; I352-F426 HydrophobicContact CB-CE1 4.36Å; I352-F426 HydrophobicContact CG2-CD1 3.39Å; I352-F426 HydrophobicContact CG2-CE1 3.63Å; I352-F426 HydrophobicContact CG2-CG 4.24Å; I352-L427 HydrophobicContact CG2-CD2 3.55Å; I352-L427 HydrophobicContact CG2-CG 3.89Å | ||
| 353 | N | 78.1 | Confident | 88.6 | Confident | 131 Ų | 131 | 64.3 Ų | 64.3 | 70% | 0.701 | 33% | 0.327 | S | S | * | . | trans | -79.5 | 72.4 | -174.2 | -71.6 | -20.9 | 0 | 0 | 0 | 112.3 | S351 | S351-N353 VanDerWaalsContact C-N 3.26Å; S351-N353 PolarHBondContact O-N 2.94Å | ||
| 354 | V | 81.8 | Confident | 88.4 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | trans | -109.7 | 138.7 | 179.4 | -68.3 | 0 | 0 | 0 | 0 | 112.4 | I352 Q359 T360 L363 L427 T430 | I352-V354 VanDerWaalsContact C-N 3.33Å; I352-V354 PolarHBondContact O-N 3.09Å; V354-Q359 HydrophobicContact CB-CB 4.34Å; V354-Q359 HydrophobicContact CG1-CB 4.08Å; V354-T360 HydrophobicContact CG2-CG2 4.16Å; V354-T360 WeakPolarHBondContact CG2-OG1 3.34Å; V354-L363 HydrophobicContact CG1-CB 4.29Å; V354-L363 HydrophobicContact CG1-CD2 3.58Å; V354-L427 HydrophobicContact CG2-CD2 3.75Å; V354-T430 HydrophobicContact CG2-CG2 4.06Å | ||
| 355 | N | 79.9 | Confident | 88.4 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 16% | 0.16 | 35% | 0.353 | C | S | . | . | trans | -134.1 | 3.5 | -173.2 | -73.9 | -63.6 | 0 | 0 | 0 | 114 | Q501 Q505 | N355-Q501 PolarHBondContact ND2-OE1 3.42Å; N355-Q501 WeakPolarHBondContact OD1-CB 3.21Å; N355-Q501 PolarHBondContact OD1-OE1 2.91Å; N355-Q505 PolarHBondContact O-NE2 3.4Å | ||
| 356 | T | 85.8 | Confident | 88.4 | Confident | 68 Ų | 68 | 71.9 Ų | 71.9 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -145.5 | 147.1 | -179.4 | 62.4 | 0 | 0 | 0 | 0 | 109.9 | A358 Q359 T360 | T356-A358 PolarHBondContact O-N 2.74Å; T356-Q359 WeakPolarHBondContact O-CB 3.37Å; T356-Q359 PolarHBondContact O-N 3.03Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.49Å; T356-Q359 PolarHBondContact OG1-OE1 3.26Å; T356-T360 PolarHBondContact O-N 3.45Å; T356-T360 VanDerWaalsContact O-N 3.15Å; T356-T360 PolarHBondContact O-OG1 2.93Å |
| 357 | L | 89.2 | Confident | 88.4 | Confident | 54 Ų | 54 | 68.6 Ų | 68.6 | 28% | 0.283 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -53.6 | -49.8 | -172.1 | -168.1 | 69.3 | 0 | 0 | 0 | 112.5 | Q359 T360 E361 L434 L435 | L357-Q359 VanDerWaalsContact C-N 3.29Å; L357-Q359 PolarHBondContact O-N 3.11Å; L357-T360 CarbonylContact O-C 3.59Å; L357-T360 WeakPolarHBondContact O-CA 3.21Å; L357-T360 WeakPolarHBondContact O-CB 3.43Å; L357-T360 PolarHBondContact O-N 3.11Å; L357-E361 HydrophobicContact CG-CG 4.4Å; L357-E361 WeakPolarHBondContact O-CG 3.36Å; L357-E361 PolarHBondContact O-N 3.49Å; L357-L434 HydrophobicContact CD1-CB 4.02Å; L357-L435 HydrophobicContact CD1-CB 4.23Å; L357-L435 HydrophobicContact CD2-CD1 4.37Å |
| 358 | A | 87.6 | Confident | 88.4 | Confident | 64 Ų | 64 | 71 Ų | 71 | 53% | 0.529 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.1 | -28.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T356 E361 Q362 | T356-A358 PolarHBondContact O-N 2.74Å; A358-E361 WeakPolarHBondContact CA-OE2 3.45Å; A358-Q362 VanDerWaalsContact O-CB 3.3Å; A358-Q362 WeakPolarHBondContact O-CB 3.42Å; A358-Q362 PolarHBondContact O-N 3.24Å; A358-Q362 VanDerWaalsContact O-N 3.11Å |
| 359 | Q | 88.4 | Confident | 88.5 | Confident | 93 Ų | 93 | 68 Ų | 68 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.5 | -40.7 | 172.4 | -72.2 | 169.7 | -27 | 0 | 0 | 110.9 | V354 T356 L357 Q362 L363 | V354-Q359 HydrophobicContact CB-CB 4.34Å; V354-Q359 HydrophobicContact CG1-CB 4.08Å; T356-Q359 WeakPolarHBondContact O-CB 3.37Å; T356-Q359 PolarHBondContact O-N 3.03Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.49Å; T356-Q359 PolarHBondContact OG1-OE1 3.26Å; L357-Q359 VanDerWaalsContact C-N 3.29Å; L357-Q359 PolarHBondContact O-N 3.11Å; Q359-Q362 PolarHBondContact O-N 3.14Å; Q359-L363 VanDerWaalsContact O-CB 3.3Å; Q359-L363 WeakPolarHBondContact O-CB 3.5Å; Q359-L363 PolarHBondContact O-N 3.37Å |
| 360 | T | 90.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 176.9 | -47.6 | 0 | 0 | 0 | 0 | 111.4 | V354 T356 L357 Q362 L363 L364 L427 H431 L434 | V354-T360 HydrophobicContact CG2-CG2 4.16Å; V354-T360 WeakPolarHBondContact CG2-OG1 3.34Å; T356-T360 PolarHBondContact O-N 3.45Å; T356-T360 VanDerWaalsContact O-N 3.15Å; T356-T360 PolarHBondContact O-OG1 2.93Å; L357-T360 CarbonylContact O-C 3.59Å; L357-T360 WeakPolarHBondContact O-CA 3.21Å; L357-T360 WeakPolarHBondContact O-CB 3.43Å; L357-T360 PolarHBondContact O-N 3.11Å; T360-Q362 PolarHBondContact O-N 3.11Å; T360-L363 PolarHBondContact O-N 2.86Å; T360-L364 HydrophobicContact CG2-CD1 4.22Å; T360-L364 WeakPolarHBondContact O-CB 3.25Å; T360-L364 WeakPolarHBondContact O-CG 3.44Å; T360-L364 PolarHBondContact O-N 3.28Å; T360-L427 HydrophobicContact CG2-CD2 4.25Å; T360-L427 WeakPolarHBondContact CG2-O 3.38Å; T360-H431 HydrophobicContact CG2-CB 3.81Å; T360-L434 WeakPolarHBondContact OG1-CD1 3.27Å |
| 361 | E | 91.4 | Very high | 89.1 | Confident | 96 Ų | 96 | 62.6 Ų | 62.6 | 45% | 0.449 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 173.4 | -69.8 | 171.2 | 152.6 | 0 | 0 | 111.8 | L357 A358 L363 K365 | L357-E361 HydrophobicContact CG-CG 4.4Å; L357-E361 WeakPolarHBondContact O-CG 3.36Å; L357-E361 PolarHBondContact O-N 3.49Å; A358-E361 WeakPolarHBondContact CA-OE2 3.45Å; E361-L363 VanDerWaalsContact C-N 3.34Å; E361-L363 PolarHBondContact O-N 2.92Å; E361-K365 PolarHBondContact O-N 2.99Å; E361-K365 VanDerWaalsContact O-N 3.1Å |
| 362 | Q | 91.6 | Very high | 89.8 | Confident | 115 Ų | 115 | 64 Ų | 64 | 54% | 0.537 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.8 | -34.6 | 177.8 | -173.7 | 176.4 | 32.5 | 0 | 0 | 112.5 | A358 Q359 T360 R366 | A358-Q362 VanDerWaalsContact O-CB 3.3Å; A358-Q362 WeakPolarHBondContact O-CB 3.42Å; A358-Q362 PolarHBondContact O-N 3.24Å; A358-Q362 VanDerWaalsContact O-N 3.11Å; Q359-Q362 PolarHBondContact O-N 3.14Å; T360-Q362 PolarHBondContact O-N 3.11Å; Q362-R366 WeakPolarHBondContact O-CG 3.42Å; Q362-R366 PolarHBondContact O-N 3.26Å |
| 363 | L | 92.1 | Very high | 90.5 | Very high | 18 Ų | 18 | 64.7 Ų | 64.7 | 9% | 0.094 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -78.4 | -37.5 | 179.4 | -172.7 | 59.6 | 0 | 0 | 0 | 112.3 | L350 S351 V354 Q359 T360 E361 R366 L367 L427 | L350-L363 HydrophobicContact CD2-CD1 4.01Å; S351-L363 WeakPolarHBondContact O-CD2 3.48Å; V354-L363 HydrophobicContact CG1-CB 4.29Å; V354-L363 HydrophobicContact CG1-CD2 3.58Å; Q359-L363 VanDerWaalsContact O-CB 3.3Å; Q359-L363 WeakPolarHBondContact O-CB 3.5Å; Q359-L363 PolarHBondContact O-N 3.37Å; T360-L363 PolarHBondContact O-N 2.86Å; E361-L363 VanDerWaalsContact C-N 3.34Å; E361-L363 PolarHBondContact O-N 2.92Å; L363-R366 PolarHBondContact O-N 2.86Å; L363-L367 PolarHBondContact O-N 3.4Å; L363-L427 HydrophobicContact CB-CD1 4.48Å; L363-L427 HydrophobicContact CD2-CD1 4.05Å; L363-L427 HydrophobicContact CD2-CD2 3.81Å; L363-L427 HydrophobicContact CG-CD1 3.85Å; L363-L427 HydrophobicContact CG-CD2 4.37Å |
| 364 | L | 93.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.4 | -53.7 | 169.7 | -82 | 166.8 | 0 | 0 | 0 | 110.2 | T360 R366 L367 D368 L427 M428 H431 | T360-L364 HydrophobicContact CG2-CD1 4.22Å; T360-L364 WeakPolarHBondContact O-CB 3.25Å; T360-L364 WeakPolarHBondContact O-CG 3.44Å; T360-L364 PolarHBondContact O-N 3.28Å; L364-R366 VanDerWaalsContact C-N 3.28Å; L364-R366 PolarHBondContact O-N 2.82Å; L364-L367 CarbonylContact O-C 3.22Å; L364-L367 WeakPolarHBondContact O-CA 3.42Å; L364-L367 WeakPolarHBondContact O-CB 3.45Å; L364-L367 PolarHBondContact O-N 2.97Å; L364-D368 VanDerWaalsContact O-CG 3.25Å; L364-D368 PolarHBondContact O-N 3.04Å; L364-L427 HydrophobicContact CD2-CB 3.48Å; L364-L427 VanDerWaalsContact CD2-CB 3.48Å; L364-L427 HydrophobicContact CD2-CD1 4.35Å; L364-L427 HydrophobicContact CG-CB 3.9Å; L364-M428 HydrophobicContact CD1-SD 3.92Å; L364-M428 HydrophobicContact CD2-CG 3.97Å; L364-M428 HydrophobicContact CD2-SD 3.93Å; L364-H431 HydrophobicContact CD1-CB 4.04Å |
| 365 | K | 93.5 | Very high | 92 | Very high | 133 Ų | 133 | 62.8 Ų | 62.8 | 58% | 0.578 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -55.5 | -41.9 | 178.6 | -178.9 | 172.7 | 179 | 177.1 | 0 | 113.1 | E361 L367 D368 D369 | E361-K365 PolarHBondContact O-N 2.99Å; E361-K365 VanDerWaalsContact O-N 3.1Å; K365-L367 VanDerWaalsContact C-N 3.27Å; K365-L367 PolarHBondContact O-N 3.32Å; K365-D368 PolarHBondContact O-N 3.32Å; K365-D369 WeakPolarHBondContact O-CB 3.47Å; K365-D369 VanDerWaalsContact O-CG 3.22Å; K365-D369 PolarHBondContact O-N 2.89Å |
| 366 | R | 93.1 | Very high | 92.8 | Very high | 136 Ų | 136 | 67 Ų | 67 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66 | -30 | 176.2 | -75.8 | 175.5 | 174.4 | 176.1 | -0.3 | 113 | Q362 L363 L364 L370 | Q362-R366 WeakPolarHBondContact O-CG 3.42Å; Q362-R366 PolarHBondContact O-N 3.26Å; L363-R366 PolarHBondContact O-N 2.86Å; L364-R366 VanDerWaalsContact C-N 3.28Å; L364-R366 PolarHBondContact O-N 2.82Å; R366-L370 WeakPolarHBondContact O-CB 3.28Å; R366-L370 PolarHBondContact O-N 3.45Å; R366-L370 VanDerWaalsContact O-N 3.14Å |
| 367 | L | 94.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -75.7 | -37.8 | 174.8 | -173.2 | 62.7 | 0 | 0 | 0 | 111.1 | L350 L363 L364 K365 L370 E371 L420 K423 H424 L427 | L350-L367 HydrophobicContact CD1-CD1 3.89Å; L363-L367 PolarHBondContact O-N 3.4Å; L364-L367 CarbonylContact O-C 3.22Å; L364-L367 WeakPolarHBondContact O-CA 3.42Å; L364-L367 WeakPolarHBondContact O-CB 3.45Å; L364-L367 PolarHBondContact O-N 2.97Å; K365-L367 VanDerWaalsContact C-N 3.27Å; K365-L367 PolarHBondContact O-N 3.32Å; L367-L370 CarbonylContact O-C 3.5Å; L367-L370 PolarHBondContact O-N 3.24Å; L367-E371 WeakPolarHBondContact O-CB 3.38Å; L367-E371 PolarHBondContact O-N 3.36Å; L367-L420 HydrophobicContact CD1-CD2 3.6Å; L367-K423 HydrophobicContact CD2-CB 3.83Å; L367-H424 VanDerWaalsContact CD2-CA 3.5Å; L367-H424 HydrophobicContact CD2-CB 3.77Å; L367-H424 VanDerWaalsContact CD2-N 3.33Å; L367-L427 HydrophobicContact CD2-CD1 3.95Å |
| 368 | D | 94.7 | Very high | 93.7 | Very high | 69 Ų | 69 | 62 Ų | 62 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 173.1 | -53.5 | -26.6 | 0 | 0 | 0 | 111.2 | L364 K365 L370 E371 T372 H424 | L364-D368 VanDerWaalsContact O-CG 3.25Å; L364-D368 PolarHBondContact O-N 3.04Å; K365-D368 PolarHBondContact O-N 3.32Å; D368-L370 VanDerWaalsContact C-N 3.28Å; D368-L370 PolarHBondContact O-N 3.38Å; D368-E371 PolarHBondContact O-N 2.9Å; D368-T372 WeakPolarHBondContact O-CB 3.38Å; D368-T372 PolarHBondContact O-N 2.97Å; D368-T372 PolarHBondContact O-OG1 3.27Å; D368-H424 IonicContact OD1-CD2 3.41Å |
| 369 | D | 93.6 | Very high | 94.1 | Very high | 99 Ų | 99 | 61.2 Ų | 61.2 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.4 | -40.6 | 173.5 | -69 | -32.9 | 0 | 0 | 0 | 110.6 | K365 N373 | K365-D369 WeakPolarHBondContact O-CB 3.47Å; K365-D369 VanDerWaalsContact O-CG 3.22Å; K365-D369 PolarHBondContact O-N 2.89Å; D369-N373 PolarHBondContact O-N 2.84Å |
| 370 | L | 94.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 6% | 0.058 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.1 | -41.3 | 178.2 | -179.6 | 62.3 | 0 | 0 | 0 | 113.3 | L343 Q346 E347 L350 R366 L367 D368 T372 N373 A374 L420 | L343-L370 HydrophobicContact CD2-CD1 3.74Å; Q346-L370 HydrophobicContact CB-CD1 4.06Å; Q346-L370 HydrophobicContact CB-CD2 4.43Å; Q346-L370 VanDerWaalsContact OE1-CD1 3.27Å; E347-L370 HydrophobicContact CB-CD2 4.28Å; L350-L370 HydrophobicContact CD1-CD2 3.58Å; L350-L370 HydrophobicContact CG-CD2 4.46Å; R366-L370 WeakPolarHBondContact O-CB 3.28Å; R366-L370 PolarHBondContact O-N 3.45Å; R366-L370 VanDerWaalsContact O-N 3.14Å; L367-L370 CarbonylContact O-C 3.5Å; L367-L370 PolarHBondContact O-N 3.24Å; D368-L370 VanDerWaalsContact C-N 3.28Å; D368-L370 PolarHBondContact O-N 3.38Å; L370-T372 VanDerWaalsContact C-N 3.31Å; L370-N373 PolarHBondContact O-N 3.46Å; L370-A374 VanDerWaalsContact O-CB 3.3Å; L370-A374 WeakPolarHBondContact O-CB 3.48Å; L370-A374 PolarHBondContact O-N 3.3Å; L370-L420 HydrophobicContact CD2-CD2 3.81Å; L370-L420 HydrophobicContact CG-CD2 4.05Å |
| 371 | E | 95.3 | Very high | 94.8 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 23% | 0.229 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -35.2 | 178.1 | -176.1 | 163.3 | -164.7 | 0 | 0 | 110.9 | L367 D368 A374 Q375 L420 | L367-E371 WeakPolarHBondContact O-CB 3.38Å; L367-E371 PolarHBondContact O-N 3.36Å; D368-E371 PolarHBondContact O-N 2.9Å; E371-A374 PolarHBondContact O-N 3Å; E371-Q375 VanDerWaalsContact O-CB 3.32Å; E371-Q375 WeakPolarHBondContact O-CB 3.34Å; E371-Q375 PolarHBondContact O-N 3.01Å; E371-L420 HydrophobicContact CB-CD1 4.44Å; E371-L420 HydrophobicContact CG-CD1 4.48Å |
| 372 | T | 95.6 | Very high | 95 | Very high | 103 Ų | 103 | 63.4 Ų | 63.4 | 63% | 0.632 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.2 | -49.7 | 172.2 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | D368 L370 Q375 E376 | D368-T372 WeakPolarHBondContact O-CB 3.38Å; D368-T372 PolarHBondContact O-N 2.97Å; D368-T372 PolarHBondContact O-OG1 3.27Å; L370-T372 VanDerWaalsContact C-N 3.31Å; T372-Q375 PolarHBondContact O-N 2.88Å; T372-E376 PolarHBondContact O-N 3.18Å |
| 373 | N | 95.6 | Very high | 95.3 | Very high | 64 Ų | 64 | 63.4 Ų | 63.4 | 34% | 0.342 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 175.7 | -178.1 | 13.6 | 0 | 0 | 0 | 111.5 | D369 L370 Q375 E376 V377 | D369-N373 PolarHBondContact O-N 2.84Å; L370-N373 PolarHBondContact O-N 3.46Å; N373-Q375 VanDerWaalsContact C-N 3.32Å; N373-Q375 PolarHBondContact O-N 3.12Å; N373-E376 PolarHBondContact O-N 2.98Å; N373-V377 WeakPolarHBondContact O-CG2 3.3Å; N373-V377 PolarHBondContact O-N 3.28Å |
| 374 | A | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L343 L370 E371 V377 M378 L416 L420 | L343-A374 HydrophobicContact CD1-CB 4.12Å; L370-A374 VanDerWaalsContact O-CB 3.3Å; L370-A374 WeakPolarHBondContact O-CB 3.48Å; L370-A374 PolarHBondContact O-N 3.3Å; E371-A374 PolarHBondContact O-N 3Å; A374-V377 PolarHBondContact O-N 2.85Å; A374-M378 HydrophobicContact CB-CE 4.24Å; A374-M378 VanDerWaalsContact O-CB 3.28Å; A374-M378 WeakPolarHBondContact O-CB 2.94Å; A374-M378 WeakPolarHBondContact O-CE 3.45Å; A374-M378 WeakPolarHBondContact O-CG 3.22Å; A374-M378 PolarHBondContact O-N 3.18Å; A374-L416 HydrophobicContact CB-CD2 4.02Å; A374-L420 HydrophobicContact CB-CD1 3.62Å |
| 375 | Q | 96.6 | Very high | 95.7 | Very high | 102 Ų | 102 | 63.8 Ų | 63.8 | 48% | 0.477 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 177.4 | -173.4 | 59.5 | 31.6 | 0 | 0 | 112.2 | E371 T372 N373 S379 | E371-Q375 VanDerWaalsContact O-CB 3.32Å; E371-Q375 WeakPolarHBondContact O-CB 3.34Å; E371-Q375 PolarHBondContact O-N 3.01Å; T372-Q375 PolarHBondContact O-N 2.88Å; N373-Q375 VanDerWaalsContact C-N 3.32Å; N373-Q375 PolarHBondContact O-N 3.12Å; Q375-S379 PolarHBondContact O-N 3.33Å |
| 376 | E | 95.9 | Very high | 95.9 | Very high | 118 Ų | 118 | 62.2 Ų | 62.2 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.8 | -51.2 | 171.9 | -168.5 | -163.3 | 129 | 0 | 0 | 110.9 | T372 N373 M378 S379 R380 | T372-E376 PolarHBondContact O-N 3.18Å; N373-E376 PolarHBondContact O-N 2.98Å; E376-M378 PolarHBondContact O-N 3.34Å; E376-S379 WeakPolarHBondContact O-CB 3.44Å; E376-S379 PolarHBondContact O-N 2.74Å; E376-S379 VanDerWaalsContact O-N 3.14Å; E376-S379 PolarHBondContact O-OG 2.89Å; E376-R380 PolarHBondContact O-N 2.88Å; E376-R380 VanDerWaalsContact O-N 3.17Å |
| 377 | V | 95.9 | Very high | 96 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.4 | -40.4 | -178.5 | 176 | 0 | 0 | 0 | 0 | 111.6 | M336 C339 L340 L343 N373 A374 S379 R380 A381 | M336-V377 HydrophobicContact CE-CB 4.36Å; M336-V377 HydrophobicContact CE-CG1 3.26Å; M336-V377 WeakPolarHBondContact CE-O 3.43Å; C339-V377 HydrophobicContact CB-CG1 3.91Å; L340-V377 HydrophobicContact CD2-CG1 3.98Å; L340-V377 HydrophobicContact CG-CG1 4.39Å; L343-V377 HydrophobicContact CD1-CB 3.63Å; L343-V377 HydrophobicContact CD1-CG1 3.63Å; L343-V377 HydrophobicContact CD1-CG2 3.92Å; N373-V377 WeakPolarHBondContact O-CG2 3.3Å; N373-V377 PolarHBondContact O-N 3.28Å; A374-V377 PolarHBondContact O-N 2.85Å; V377-S379 VanDerWaalsContact C-N 3.33Å; V377-S379 PolarHBondContact O-N 2.91Å; V377-R380 PolarHBondContact O-N 3.38Å; V377-A381 PolarHBondContact O-N 3.14Å |
| 378 | M | 96.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.5 | -34.2 | 173.8 | -72.8 | -173.1 | -67.3 | 0 | 0 | 112.4 | L340 A374 E376 R380 A381 Q382 C413 | L340-M378 HydrophobicContact CD2-CG 4.26Å; A374-M378 HydrophobicContact CB-CE 4.24Å; A374-M378 VanDerWaalsContact O-CB 3.28Å; A374-M378 WeakPolarHBondContact O-CB 2.94Å; A374-M378 WeakPolarHBondContact O-CE 3.45Å; A374-M378 WeakPolarHBondContact O-CG 3.22Å; A374-M378 PolarHBondContact O-N 3.18Å; E376-M378 PolarHBondContact O-N 3.34Å; M378-R380 VanDerWaalsContact C-N 3.34Å; M378-A381 WeakPolarHBondContact O-CB 3.45Å; M378-A381 PolarHBondContact O-N 2.99Å; M378-Q382 WeakPolarHBondContact O-CG 3.43Å; M378-Q382 PolarHBondContact O-N 2.78Å; M378-C413 HydrophobicContact CG-CB 3.95Å; M378-C413 HydrophobicContact SD-CB 3.94Å; M378-C413 VanDerWaalsContact SD-O 3.42Å |
| 379 | S | 96 | Very high | 96.1 | Very high | 47 Ų | 47 | 59.9 Ų | 59.9 | 33% | 0.329 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 174.1 | 80.6 | 0 | 0 | 0 | 0 | 112.1 | Q375 E376 V377 Q382 I383 | Q375-S379 PolarHBondContact O-N 3.33Å; E376-S379 WeakPolarHBondContact O-CB 3.44Å; E376-S379 PolarHBondContact O-N 2.74Å; E376-S379 VanDerWaalsContact O-N 3.14Å; E376-S379 PolarHBondContact O-OG 2.89Å; V377-S379 VanDerWaalsContact C-N 3.33Å; V377-S379 PolarHBondContact O-N 2.91Å; S379-Q382 WeakPolarHBondContact O-CB 3.44Å; S379-Q382 PolarHBondContact O-N 3.38Å; S379-I383 PolarHBondContact O-N 3.5Å |
| 380 | R | 96.8 | Very high | 96.1 | Very high | 118 Ų | 118 | 60.7 Ų | 60.7 | 45% | 0.445 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 174 | -68.7 | 170.3 | 54.7 | -159.9 | -8.6 | 111.9 | M336 E376 V377 M378 Q382 I383 I384 | M336-R380 HydrophobicContact CE-CB 4.32Å; M336-R380 HydrophobicContact SD-CB 4.01Å; E376-R380 PolarHBondContact O-N 2.88Å; E376-R380 VanDerWaalsContact O-N 3.17Å; V377-R380 PolarHBondContact O-N 3.38Å; M378-R380 VanDerWaalsContact C-N 3.34Å; R380-Q382 VanDerWaalsContact C-N 3.33Å; R380-Q382 PolarHBondContact O-N 3.28Å; R380-I383 PolarHBondContact O-N 2.83Å; R380-I384 PolarHBondContact O-N 3.24Å |
| 381 | A | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M336 L340 V377 M378 I383 I384 I385 | M336-A381 HydrophobicContact CE-CB 4.07Å; M336-A381 HydrophobicContact CG-CB 3.78Å; M336-A381 VanDerWaalsContact SD-CA 3.55Å; M336-A381 HydrophobicContact SD-CB 3.84Å; M336-A381 PolarHBondContact SD-N 3.33Å; M336-A381 VanDerWaalsContact SD-N 3.37Å; L340-A381 HydrophobicContact CD1-CB 4.26Å; V377-A381 PolarHBondContact O-N 3.14Å; M378-A381 WeakPolarHBondContact O-CB 3.45Å; M378-A381 PolarHBondContact O-N 2.99Å; A381-I383 VanDerWaalsContact C-N 3.32Å; A381-I383 PolarHBondContact O-N 2.91Å; A381-I384 PolarHBondContact O-N 3.34Å; A381-I385 VanDerWaalsContact O-CG1 3.27Å; A381-I385 WeakPolarHBondContact O-CG1 3.33Å; A381-I385 PolarHBondContact O-N 2.67Å |
| 382 | Q | 96.7 | Very high | 95.6 | Very high | 117 Ų | 117 | 59.1 Ų | 59.1 | 55% | 0.547 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.3 | -36.4 | 175.5 | -69.7 | 170.9 | 13.8 | 0 | 0 | 112.5 | M378 S379 R380 I385 L386 | M378-Q382 WeakPolarHBondContact O-CG 3.43Å; M378-Q382 PolarHBondContact O-N 2.78Å; S379-Q382 WeakPolarHBondContact O-CB 3.44Å; S379-Q382 PolarHBondContact O-N 3.38Å; R380-Q382 VanDerWaalsContact C-N 3.33Å; R380-Q382 PolarHBondContact O-N 3.28Å; Q382-I385 PolarHBondContact O-N 3.42Å; Q382-L386 WeakPolarHBondContact O-CB 3.4Å; Q382-L386 PolarHBondContact O-N 2.88Å |
| 383 | I | 97.2 | Very high | 95.4 | Very high | 115 Ų | 115 | 57.8 Ų | 57.8 | 59% | 0.59 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.1 | -42.5 | 174.1 | -63.2 | 168.7 | 0 | 0 | 0 | 111 | S379 R380 A381 L386 H387 | S379-I383 PolarHBondContact O-N 3.5Å; R380-I383 PolarHBondContact O-N 2.83Å; A381-I383 VanDerWaalsContact C-N 3.32Å; A381-I383 PolarHBondContact O-N 2.91Å; I383-L386 PolarHBondContact O-N 2.9Å; I383-H387 PolarHBondContact O-N 3Å |
| 384 | I | 96.7 | Very high | 95 | Very high | 25 Ų | 25 | 57.1 Ų | 57.1 | 13% | 0.128 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 177.6 | -64.6 | 167.7 | 0 | 0 | 0 | 111.1 | Y329 M336 R380 A381 L386 H387 G388 L409 | Y329-I384 HydrophobicContact CE2-CG2 3.98Å; M336-I384 HydrophobicContact CB-CD1 3.71Å; M336-I384 HydrophobicContact CG-CD1 3.81Å; M336-I384 HydrophobicContact SD-CD1 3.72Å; R380-I384 PolarHBondContact O-N 3.24Å; A381-I384 PolarHBondContact O-N 3.34Å; I384-L386 VanDerWaalsContact C-N 3.34Å; I384-L386 PolarHBondContact O-N 2.78Å; I384-H387 PolarHBondContact O-N 3Å; I384-G388 PolarHBondContact O-N 2.97Å; I384-L409 HydrophobicContact CB-CD1 4.15Å; I384-L409 HydrophobicContact CG2-CD1 3.71Å |
| 385 | I | 97.3 | Very high | 94.4 | Very high | 16 Ų | 16 | 64.5 Ų | 64.5 | 8% | 0.082 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 173.6 | -68.8 | 164.4 | 0 | 0 | 0 | 110.7 | A381 Q382 G388 H389 C406 L409 R410 | A381-I385 VanDerWaalsContact O-CG1 3.27Å; A381-I385 WeakPolarHBondContact O-CG1 3.33Å; A381-I385 PolarHBondContact O-N 2.67Å; Q382-I385 PolarHBondContact O-N 3.42Å; I385-G388 PolarHBondContact O-N 3.49Å; I385-H389 PolarHBondContact O-CD2 2.83Å; I385-H389 PolarHBondContact O-N 3.36Å; I385-C406 HydrophobicContact CG2-CB 4.19Å; I385-C406 PolarHBondContact O-SG 3.27Å; I385-L409 HydrophobicContact CD1-CB 3.84Å; I385-L409 HydrophobicContact CG1-CB 3.9Å; I385-L409 HydrophobicContact CG1-CD1 4.19Å; I385-R410 HydrophobicContact CD1-CB 4.14Å |
| 386 | L | 96.8 | Very high | 94 | Very high | 100 Ų | 100 | 59.9 Ų | 59.9 | 52% | 0.524 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 176.7 | 179.7 | 61.2 | 0 | 0 | 0 | 111.9 | Q382 I383 I384 G388 H389 Q390 | Q382-L386 WeakPolarHBondContact O-CB 3.4Å; Q382-L386 PolarHBondContact O-N 2.88Å; I383-L386 PolarHBondContact O-N 2.9Å; I384-L386 VanDerWaalsContact C-N 3.34Å; I384-L386 PolarHBondContact O-N 2.78Å; L386-G388 VanDerWaalsContact C-N 3.31Å; L386-G388 PolarHBondContact O-N 2.89Å; L386-H389 WeakPolarHBondContact O-CB 3.37Å; L386-H389 PolarHBondContact O-N 2.86Å; L386-H389 VanDerWaalsContact O-N 3.12Å; L386-Q390 WeakPolarHBondContact O-CG 3.45Å; L386-Q390 PolarHBondContact O-N 3.4Å |
| 387 | H | 96.6 | Very high | 93.3 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 33% | 0.333 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 174.6 | 177.6 | -131.7 | 0 | 0 | 0 | 111.6 | Y329 I383 I384 H389 Q390 L391 | Y329-H387 AromaticContact CD2-ND1 3.85Å; I383-H387 PolarHBondContact O-N 3Å; I384-H387 PolarHBondContact O-N 3Å; H387-H389 VanDerWaalsContact C-N 3.34Å; H387-H389 PolarHBondContact O-N 2.72Å; H387-Q390 WeakPolarHBondContact O-CB 3.43Å; H387-Q390 PolarHBondContact O-N 2.81Å; H387-Q390 VanDerWaalsContact O-N 3.16Å; H387-L391 WeakPolarHBondContact O-CG 3.5Å; H387-L391 PolarHBondContact O-N 3.05Å |
| 388 | G | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I384 I385 L386 L391 S392 I402 M403 | I384-G388 PolarHBondContact O-N 2.97Å; I385-G388 PolarHBondContact O-N 3.49Å; L386-G388 VanDerWaalsContact C-N 3.31Å; L386-G388 PolarHBondContact O-N 2.89Å; G388-L391 PolarHBondContact O-N 3.32Å; G388-S392 WeakPolarHBondContact O-CB 3.49Å; G388-S392 PolarHBondContact O-N 3.47Å; G388-I402 VanDerWaalsContact CA-CG2 3.4Å; G388-I402 VanDerWaalsContact O-CG2 3.31Å; G388-I402 WeakPolarHBondContact O-CG2 3.29Å; G388-M403 WeakPolarHBondContact O-CE 3.34Å |
| 389 | H | 94.2 | Very high | 91.9 | Very high | 85 Ų | 85 | 60.9 Ų | 60.9 | 39% | 0.394 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.4 | -36.3 | 171.6 | -72 | -53.2 | 0 | 0 | 0 | 112.9 | I385 L386 H387 S392 A393 M403 | I385-H389 PolarHBondContact O-CD2 2.83Å; I385-H389 PolarHBondContact O-N 3.36Å; L386-H389 WeakPolarHBondContact O-CB 3.37Å; L386-H389 PolarHBondContact O-N 2.86Å; L386-H389 VanDerWaalsContact O-N 3.12Å; H387-H389 VanDerWaalsContact C-N 3.34Å; H387-H389 PolarHBondContact O-N 2.72Å; H389-S392 WeakPolarHBondContact O-CB 3.43Å; H389-S392 PolarHBondContact O-N 2.82Å; H389-A393 WeakPolarHBondContact O-CB 3.05Å; H389-A393 PolarHBondContact O-N 3.06Å; H389-M403 WeakPolarHBondContact CE1-CE 3.24Å; H389-M403 PolarHBondContact CE1-SD 3.06Å; H389-M403 WeakPolarHBondContact ND1-CE 3.28Å; H389-M403 PolarHBondContact ND1-SD 2.94Å; H389-M403 PolarHBondContact NE2-SD 3.49Å |
| 390 | Q | 95.4 | Very high | 91 | Very high | 116 Ų | 116 | 61.6 Ų | 61.6 | 54% | 0.542 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 173.7 | -69.6 | 168.5 | -10.2 | 0 | 0 | 111.9 | L386 H387 S392 A393 G394 | L386-Q390 WeakPolarHBondContact O-CG 3.45Å; L386-Q390 PolarHBondContact O-N 3.4Å; H387-Q390 WeakPolarHBondContact O-CB 3.43Å; H387-Q390 PolarHBondContact O-N 2.81Å; H387-Q390 VanDerWaalsContact O-N 3.16Å; Q390-S392 VanDerWaalsContact C-N 3.29Å; Q390-S392 PolarHBondContact O-N 3.33Å; Q390-A393 PolarHBondContact O-N 2.79Å; Q390-G394 PolarHBondContact O-N 3.13Å |
| 391 | L | 91.7 | Very high | 90.3 | Very high | 14 Ų | 14 | 57.3 Ų | 57.3 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 173.5 | -65.3 | -179.3 | 0 | 0 | 0 | 111.7 | Q325 Y329 H387 G388 G394 H396 I402 | Q325-L391 HydrophobicContact CB-CD2 4.28Å; Q325-L391 HydrophobicContact CG-CD2 4.38Å; Y329-L391 HydrophobicContact CD2-CD1 4.18Å; Y329-L391 HydrophobicContact CG-CD1 4.36Å; H387-L391 WeakPolarHBondContact O-CG 3.5Å; H387-L391 PolarHBondContact O-N 3.05Å; G388-L391 PolarHBondContact O-N 3.32Å; L391-G394 CarbonylContact O-C 3.1Å; L391-G394 PolarHBondContact O-N 3.03Å; L391-H396 HydrophobicContact CB-CB 4.46Å; L391-H396 WeakPolarHBondContact O-CB 3.39Å; L391-H396 PolarHBondContact O-N 3.1Å; L391-I402 HydrophobicContact CB-CD1 4.07Å; L391-I402 HydrophobicContact CD1-CD1 4.12Å |
| 392 | S | 87.8 | Confident | 89.8 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63 | -46.6 | 174.3 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | G388 H389 Q390 G394 H395 M399 | G388-S392 WeakPolarHBondContact O-CB 3.49Å; G388-S392 PolarHBondContact O-N 3.47Å; H389-S392 WeakPolarHBondContact O-CB 3.43Å; H389-S392 PolarHBondContact O-N 2.82Å; Q390-S392 VanDerWaalsContact C-N 3.29Å; Q390-S392 PolarHBondContact O-N 3.33Å; S392-G394 VanDerWaalsContact C-N 3.26Å; S392-G394 PolarHBondContact O-N 2.84Å; S392-H395 PolarHBondContact O-N 3.5Å; S392-M399 WeakPolarHBondContact OG-CE 3.48Å; S392-M399 WeakPolarHBondContact OG-CG 3.16Å |
| 393 | A | 90.2 | Very high | 89.5 | Confident | 74 Ų | 74 | 53.2 Ų | 53.2 | 61% | 0.612 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.7 | -33.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H389 Q390 H395 | H389-A393 WeakPolarHBondContact O-CB 3.05Å; H389-A393 PolarHBondContact O-N 3.06Å; Q390-A393 PolarHBondContact O-N 2.79Å; A393-H395 PolarHBondContact O-N 2.99Å; A393-H395 PolarHBondContact O-ND1 3.02Å |
| 394 | G | 87.2 | Confident | 89.1 | Confident | 51 Ų | 51 | 51.1 Ų | 51.1 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 6.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q390 L391 S392 H396 | Q390-G394 PolarHBondContact O-N 3.13Å; L391-G394 CarbonylContact O-C 3.1Å; L391-G394 PolarHBondContact O-N 3.03Å; S392-G394 VanDerWaalsContact C-N 3.26Å; S392-G394 PolarHBondContact O-N 2.84Å; G394-H396 PolarHBondContact O-N 3.15Å |
| 395 | H | 84.7 | Confident | 88.9 | Confident | 154 Ų | 154 | 52 Ų | 52 | 71% | 0.713 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 31.6 | 178.5 | -66.4 | 61.6 | 0 | 0 | 0 | 113.8 | S392 A393 | S392-H395 PolarHBondContact O-N 3.5Å; A393-H395 PolarHBondContact O-N 2.99Å; A393-H395 PolarHBondContact O-ND1 3.02Å |
| 396 | H | 86.4 | Confident | 88.8 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.023 | 28% | 0.284 | C | S | . | . | trans | -57.9 | 136.8 | -179.8 | -172.2 | -32.6 | 0 | 0 | 0 | 111.8 | Q322 L391 G394 A398 M399 I402 | Q322-H396 PolarHBondContact O-CE1 3.09Å; Q322-H396 PolarHBondContact O-NE2 3.32Å; L391-H396 HydrophobicContact CB-CB 4.46Å; L391-H396 WeakPolarHBondContact O-CB 3.39Å; L391-H396 PolarHBondContact O-N 3.1Å; G394-H396 PolarHBondContact O-N 3.15Å; H396-A398 PolarHBondContact ND1-N 3.43Å; H396-A398 PolarHBondContact O-N 3.37Å; H396-M399 WeakPolarHBondContact O-CB 3.5Å; H396-M399 PolarHBondContact O-N 3.46Å; H396-I402 HydrophobicContact CB-CD1 4.47Å | ||
| 397 | Y | 81.4 | Confident | 88.7 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 29% | 0.29 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -19.3 | -176.7 | 79.6 | -95.8 | 0 | 0 | 0 | 114.7 | Q322 Y323 L326 M833 | Q322-Y397 HydrophobicContact CB-CD1 3.68Å; Q322-Y397 HydrophobicContact CB-CE1 3.66Å; Y323-Y397 WeakPolarHBondContact CD2-OH 3.35Å; L326-Y397 VanDerWaalsContact CD2-OH 3.32Å; L326-Y397 WeakPolarHBondContact CD2-OH 3.37Å; Y397-M833 HydrophobicContact CE2-CE 4.4Å |
| 398 | A | 82.6 | Confident | 88.6 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 9.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | L326 H396 G400 L401 I402 M833 | L326-A398 HydrophobicContact CD1-CB 3.91Å; L326-A398 HydrophobicContact CD2-CB 4.03Å; L326-A398 HydrophobicContact CG-CB 4.45Å; H396-A398 PolarHBondContact ND1-N 3.43Å; H396-A398 PolarHBondContact O-N 3.37Å; A398-G400 PolarHBondContact O-N 3.03Å; A398-L401 PolarHBondContact O-N 3.09Å; A398-I402 HydrophobicContact CB-CD1 3.91Å; A398-I402 HydrophobicContact CB-CG1 4.18Å; A398-I402 PolarHBondContact O-N 3.19Å; A398-I402 VanDerWaalsContact O-N 3.09Å; A398-M833 HydrophobicContact CB-CE 3.58Å |
| 399 | M | 81.5 | Confident | 88.7 | Confident | 81 Ų | 81 | 49.4 Ų | 49.4 | 40% | 0.399 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -43.9 | -42.6 | -173.3 | 176.6 | 175.9 | 172.9 | 0 | 0 | 114.1 | S392 H396 L401 I402 M403 | S392-M399 WeakPolarHBondContact OG-CE 3.48Å; S392-M399 WeakPolarHBondContact OG-CG 3.16Å; H396-M399 WeakPolarHBondContact O-CB 3.5Å; H396-M399 PolarHBondContact O-N 3.46Å; M399-L401 PolarHBondContact O-N 3.41Å; M399-I402 PolarHBondContact O-N 3.03Å; M399-M403 HydrophobicContact CG-CG 4.24Å; M399-M403 WeakPolarHBondContact O-CB 3.45Å; M399-M403 VanDerWaalsContact O-CG 3.24Å; M399-M403 WeakPolarHBondContact O-CG 3.42Å; M399-M403 PolarHBondContact O-N 3.48Å |
| 400 | G | 77.6 | Confident | 88.8 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 63% | 0.629 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59.8 | -45.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A398 Q404 | A398-G400 PolarHBondContact O-N 3.03Å; G400-Q404 PolarHBondContact O-N 2.68Å; G400-Q404 VanDerWaalsContact O-N 3.1Å |
| 401 | L | 82.1 | Confident | 88.8 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.9 | -44.7 | 177.6 | -178.9 | 63.2 | 0 | 0 | 0 | 111.1 | L326 A398 M399 M403 Q404 R405 M833 | L326-L401 HydrophobicContact CD1-CD2 4.49Å; A398-L401 PolarHBondContact O-N 3.09Å; M399-L401 PolarHBondContact O-N 3.41Å; L401-M403 VanDerWaalsContact C-N 3.28Å; L401-M403 PolarHBondContact O-N 3.49Å; L401-Q404 WeakPolarHBondContact O-CA 3.36Å; L401-Q404 WeakPolarHBondContact O-CB 3.34Å; L401-Q404 PolarHBondContact O-N 2.93Å; L401-R405 HydrophobicContact CD1-CG 4.49Å; L401-R405 HydrophobicContact CG-CG 4.47Å; L401-R405 WeakPolarHBondContact O-CG 3.43Å; L401-R405 PolarHBondContact O-N 2.69Å; L401-M833 HydrophobicContact CB-CE 4.01Å; L401-M833 HydrophobicContact CB-SD 4.29Å; L401-M833 HydrophobicContact CD2-CE 3.48Å; L401-M833 VanDerWaalsContact CD2-CE 3.48Å; L401-M833 HydrophobicContact CD2-SD 4.32Å; L401-M833 HydrophobicContact CG-CE 4.4Å |
| 402 | I | 86.6 | Confident | 89 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 179.8 | -61.3 | 171.2 | 0 | 0 | 0 | 110.5 | L326 Y329 G388 L391 H396 A398 M399 R405 C406 | L326-I402 HydrophobicContact CD1-CD1 4.35Å; L326-I402 HydrophobicContact CD1-CG1 4.03Å; Y329-I402 HydrophobicContact CD1-CG1 4.36Å; Y329-I402 HydrophobicContact CE1-CB 4.45Å; Y329-I402 HydrophobicContact CE1-CG1 4.39Å; Y329-I402 HydrophobicContact CE1-CG2 4.08Å; Y329-I402 HydrophobicContact CE2-CG2 4.2Å; Y329-I402 PolarHBondContact OH-O 2.89Å; G388-I402 VanDerWaalsContact CA-CG2 3.4Å; G388-I402 VanDerWaalsContact O-CG2 3.31Å; G388-I402 WeakPolarHBondContact O-CG2 3.29Å; L391-I402 HydrophobicContact CB-CD1 4.07Å; L391-I402 HydrophobicContact CD1-CD1 4.12Å; H396-I402 HydrophobicContact CB-CD1 4.47Å; A398-I402 HydrophobicContact CB-CD1 3.91Å; A398-I402 HydrophobicContact CB-CG1 4.18Å; A398-I402 PolarHBondContact O-N 3.19Å; A398-I402 VanDerWaalsContact O-N 3.09Å; M399-I402 PolarHBondContact O-N 3.03Å; I402-R405 PolarHBondContact O-N 3.36Å; I402-C406 WeakPolarHBondContact O-CB 3.44Å; I402-C406 PolarHBondContact O-N 2.6Å; I402-C406 PolarHBondContact O-SG 2.95Å; I402-C406 VanDerWaalsContact O-SG 3.37Å |
| 403 | M | 90.1 | Very high | 89.5 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 15% | 0.153 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.3 | -31.9 | 174.8 | -66.6 | -62.6 | 88.1 | 0 | 0 | 113.6 | G388 H389 M399 L401 C406 N407 | G388-M403 WeakPolarHBondContact O-CE 3.34Å; H389-M403 WeakPolarHBondContact CE1-CE 3.24Å; H389-M403 PolarHBondContact CE1-SD 3.06Å; H389-M403 WeakPolarHBondContact ND1-CE 3.28Å; H389-M403 PolarHBondContact ND1-SD 2.94Å; H389-M403 PolarHBondContact NE2-SD 3.49Å; M399-M403 HydrophobicContact CG-CG 4.24Å; M399-M403 WeakPolarHBondContact O-CB 3.45Å; M399-M403 VanDerWaalsContact O-CG 3.24Å; M399-M403 WeakPolarHBondContact O-CG 3.42Å; M399-M403 PolarHBondContact O-N 3.48Å; L401-M403 VanDerWaalsContact C-N 3.28Å; L401-M403 PolarHBondContact O-N 3.49Å; M403-C406 HydrophobicContact CE-CB 4.18Å; M403-N407 PolarHBondContact O-N 3.1Å; M403-N407 PolarHBondContact O-ND2 3.47Å |
| 404 | Q | 89.8 | Confident | 89.8 | Confident | 72 Ų | 72 | 52 Ų | 52 | 34% | 0.336 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.3 | -51.7 | 169.1 | -177.8 | -176.8 | -29.8 | 0 | 0 | 110.5 | G400 L401 C406 N407 E408 | G400-Q404 PolarHBondContact O-N 2.68Å; G400-Q404 VanDerWaalsContact O-N 3.1Å; L401-Q404 WeakPolarHBondContact O-CA 3.36Å; L401-Q404 WeakPolarHBondContact O-CB 3.34Å; L401-Q404 PolarHBondContact O-N 2.93Å; Q404-C406 PolarHBondContact O-N 3.47Å; Q404-N407 WeakPolarHBondContact O-CA 3.32Å; Q404-N407 WeakPolarHBondContact O-CB 3.35Å; Q404-N407 PolarHBondContact O-N 2.87Å; Q404-E408 HydrophobicContact CG-CG 4.43Å; Q404-E408 WeakPolarHBondContact CG-OE1 3.42Å; Q404-E408 PolarHBondContact NE2-OE1 3.27Å; Q404-E408 WeakPolarHBondContact O-CG 3.32Å; Q404-E408 PolarHBondContact O-N 2.72Å |
| 405 | R | 91.3 | Very high | 90.2 | Very high | 44 Ų | 44 | 52.2 Ų | 52.2 | 17% | 0.166 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59 | -42.8 | 178.4 | -64.4 | -34.9 | -159.4 | 155.4 | 19.2 | 113.4 | Y329 E330 F333 L401 I402 N407 E408 L409 | Y329-R405 HydrophobicContact CE1-CB 3.71Å; Y329-R405 HydrophobicContact CE1-CG 3.97Å; Y329-R405 WeakPolarHBondContact OH-CB 3.5Å; E330-R405 WeakPolarHBondContact OE1-CG 3.15Å; E330-R405 IonicContact OE1-CZ 3.33Å; E330-R405 IonicContact OE1-NE 2.67Å; E330-R405 PolarHBondContact OE1-NE 3.36Å; E330-R405 IonicContact OE1-NH2 2.61Å; E330-R405 IonicContact OE2-CZ 3.12Å; E330-R405 IonicContact OE2-NE 2.68Å; E330-R405 IonicContact OE2-NH2 2.87Å; E330-R405 PolarHBondContact OE2-NH2 3.32Å; F333-R405 HydrophobicContact CD2-CB 3.63Å; F333-R405 HydrophobicContact CD2-CG 4.01Å; F333-R405 VanDerWaalsContact CE1-NH1 3.26Å; F333-R405 HydrophobicContact CE2-CB 3.8Å; F333-R405 HydrophobicContact CE2-CG 4.15Å; F333-R405 HydrophobicContact CG-CB 4.3Å; F333-R405 HydrophobicContact CG-CG 4.24Å; L401-R405 HydrophobicContact CD1-CG 4.49Å; L401-R405 HydrophobicContact CG-CG 4.47Å; L401-R405 WeakPolarHBondContact O-CG 3.43Å; L401-R405 PolarHBondContact O-N 2.69Å; I402-R405 PolarHBondContact O-N 3.36Å; R405-N407 PolarHBondContact O-N 3.16Å; R405-E408 WeakPolarHBondContact CD-OE2 3.3Å; R405-E408 IonicContact CZ-OE2 3.8Å; R405-E408 IonicContact NE-OE2 3.97Å; R405-E408 IonicContact NH1-OE2 2.74Å; R405-E408 PolarHBondContact NH1-OE2 3.28Å; R405-E408 PolarHBondContact O-N 2.82Å; R405-L409 PolarHBondContact O-N 2.74Å |
| 406 | C | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -29.3 | 174.1 | -75.7 | 0 | 0 | 0 | 0 | 113.3 | Y329 I385 I402 M403 Q404 R410 | Y329-C406 PolarHBondContact OH-SG 3.44Å; I385-C406 HydrophobicContact CG2-CB 4.19Å; I385-C406 PolarHBondContact O-SG 3.27Å; I402-C406 WeakPolarHBondContact O-CB 3.44Å; I402-C406 PolarHBondContact O-N 2.6Å; I402-C406 PolarHBondContact O-SG 2.95Å; I402-C406 VanDerWaalsContact O-SG 3.37Å; M403-C406 HydrophobicContact CE-CB 4.18Å; Q404-C406 PolarHBondContact O-N 3.47Å; C406-R410 WeakPolarHBondContact O-CB 3.5Å; C406-R410 PolarHBondContact O-N 2.91Å; C406-R410 PolarHBondContact O-NH2 3.2Å |
| 407 | N | 94.2 | Very high | 91.2 | Very high | 82 Ų | 82 | 45.5 Ų | 45.5 | 44% | 0.439 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -83.7 | -36.1 | 176.5 | -65.8 | -25.6 | 0 | 0 | 0 | 111.7 | M403 Q404 R405 R410 H411 | M403-N407 PolarHBondContact O-N 3.1Å; M403-N407 PolarHBondContact O-ND2 3.47Å; Q404-N407 WeakPolarHBondContact O-CA 3.32Å; Q404-N407 WeakPolarHBondContact O-CB 3.35Å; Q404-N407 PolarHBondContact O-N 2.87Å; R405-N407 PolarHBondContact O-N 3.16Å; N407-R410 PolarHBondContact O-N 3.27Å; N407-R410 PolarHBondContact OD1-NH1 3.36Å; N407-H411 WeakPolarHBondContact O-CB 3.44Å; N407-H411 PolarHBondContact O-N 3.48Å |
| 408 | E | 95.2 | Very high | 91.9 | Very high | 50 Ų | 50 | 44.9 Ų | 44.9 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -49.5 | 174 | -72.8 | 167.9 | 174 | 0 | 0 | 111.4 | F333 Q404 R405 R410 H411 H412 | F333-E408 HydrophobicContact CE2-CB 4.15Å; F333-E408 HydrophobicContact CZ-CB 4.32Å; Q404-E408 HydrophobicContact CG-CG 4.43Å; Q404-E408 WeakPolarHBondContact CG-OE1 3.42Å; Q404-E408 PolarHBondContact NE2-OE1 3.27Å; Q404-E408 WeakPolarHBondContact O-CG 3.32Å; Q404-E408 PolarHBondContact O-N 2.72Å; R405-E408 WeakPolarHBondContact CD-OE2 3.3Å; R405-E408 IonicContact CZ-OE2 3.8Å; R405-E408 IonicContact NE-OE2 3.97Å; R405-E408 IonicContact NH1-OE2 2.74Å; R405-E408 PolarHBondContact NH1-OE2 3.28Å; R405-E408 PolarHBondContact O-N 2.82Å; E408-R410 VanDerWaalsContact C-N 3.33Å; E408-R410 PolarHBondContact O-N 3.2Å; E408-H411 PolarHBondContact O-N 3.42Å; E408-H412 PolarHBondContact O-N 2.84Å; E408-H412 VanDerWaalsContact O-N 3.11Å; E408-H412 PolarHBondContact O-ND1 3.12Å |
| 409 | L | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 175.2 | -70.4 | -179.5 | 0 | 0 | 0 | 112.1 | F333 M336 L340 I384 I385 R405 H411 H412 C413 | F333-L409 HydrophobicContact CD2-CD1 3.9Å; F333-L409 HydrophobicContact CD2-CD2 3.91Å; F333-L409 HydrophobicContact CD2-CG 3.66Å; F333-L409 HydrophobicContact CE2-CD1 4.45Å; F333-L409 HydrophobicContact CE2-CD2 3.87Å; F333-L409 HydrophobicContact CE2-CG 3.71Å; M336-L409 HydrophobicContact CB-CD2 4.08Å; M336-L409 HydrophobicContact CG-CD1 4.27Å; M336-L409 HydrophobicContact CG-CD2 3.88Å; L340-L409 HydrophobicContact CD1-CD2 3.98Å; I384-L409 HydrophobicContact CB-CD1 4.15Å; I384-L409 HydrophobicContact CG2-CD1 3.71Å; I385-L409 HydrophobicContact CD1-CB 3.84Å; I385-L409 HydrophobicContact CG1-CB 3.9Å; I385-L409 HydrophobicContact CG1-CD1 4.19Å; R405-L409 PolarHBondContact O-N 2.74Å; L409-H411 PolarHBondContact O-N 2.97Å; L409-H412 PolarHBondContact O-N 3.43Å; L409-C413 PolarHBondContact O-N 3.43Å; L409-C413 PolarHBondContact O-SG 3.21Å |
| 410 | R | 97.3 | Very high | 93.1 | Very high | 86 Ų | 86 | 42.2 Ų | 42.2 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 178.7 | -163 | -178.2 | -53.2 | 104.8 | 9.5 | 111.2 | I385 C406 N407 E408 H412 C413 D414 | I385-R410 HydrophobicContact CD1-CB 4.14Å; C406-R410 WeakPolarHBondContact O-CB 3.5Å; C406-R410 PolarHBondContact O-N 2.91Å; C406-R410 PolarHBondContact O-NH2 3.2Å; N407-R410 PolarHBondContact O-N 3.27Å; N407-R410 PolarHBondContact OD1-NH1 3.36Å; E408-R410 VanDerWaalsContact C-N 3.33Å; E408-R410 PolarHBondContact O-N 3.2Å; R410-H412 VanDerWaalsContact C-N 3.34Å; R410-H412 PolarHBondContact O-N 2.99Å; R410-C413 PolarHBondContact O-N 2.97Å; R410-D414 WeakPolarHBondContact O-CB 3.31Å; R410-D414 PolarHBondContact O-N 2.82Å |
| 411 | H | 96.3 | Very high | 93.9 | Very high | 121 Ų | 121 | 44.6 Ų | 44.6 | 56% | 0.56 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -61.6 | -39.6 | 178.4 | -178.9 | 44.5 | 0 | 0 | 0 | 112.8 | N407 E408 L409 T415 | N407-H411 WeakPolarHBondContact O-CB 3.44Å; N407-H411 PolarHBondContact O-N 3.48Å; E408-H411 PolarHBondContact O-N 3.42Å; L409-H411 PolarHBondContact O-N 2.97Å; H411-T415 PolarHBondContact CE1-OG1 2.83Å; H411-T415 VanDerWaalsContact CE1-OG1 3.29Å; H411-T415 PolarHBondContact ND1-OG1 2.85Å; H411-T415 VanDerWaalsContact O-CB 3.26Å; H411-T415 WeakPolarHBondContact O-CB 3.47Å; H411-T415 PolarHBondContact O-N 3.26Å; H411-T415 PolarHBondContact O-OG1 3.17Å |
| 412 | H | 95.2 | Very high | 94.4 | Very high | 42 Ų | 42 | 47.1 Ų | 47.1 | 19% | 0.194 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.4 | -46.7 | 174 | -72.1 | 107.3 | 0 | 0 | 0 | 112 | L340 E408 L409 R410 T415 L416 | L340-H412 HydrophobicContact CB-CB 4.41Å; L340-H412 HydrophobicContact CD1-CB 4.02Å; E408-H412 PolarHBondContact O-N 2.84Å; E408-H412 VanDerWaalsContact O-N 3.11Å; E408-H412 PolarHBondContact O-ND1 3.12Å; L409-H412 PolarHBondContact O-N 3.43Å; R410-H412 VanDerWaalsContact C-N 3.34Å; R410-H412 PolarHBondContact O-N 2.99Å; H412-T415 PolarHBondContact O-N 3.05Å; H412-L416 WeakPolarHBondContact O-CB 3.19Å; H412-L416 PolarHBondContact O-N 2.84Å |
| 413 | C | 97.3 | Very high | 94.7 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 7% | 0.068 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 175.5 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | M378 L409 R410 T415 L416 S417 | M378-C413 HydrophobicContact CG-CB 3.95Å; M378-C413 HydrophobicContact SD-CB 3.94Å; M378-C413 VanDerWaalsContact SD-O 3.42Å; L409-C413 PolarHBondContact O-N 3.43Å; L409-C413 PolarHBondContact O-SG 3.21Å; R410-C413 PolarHBondContact O-N 2.97Å; C413-T415 VanDerWaalsContact C-N 3.33Å; C413-T415 PolarHBondContact O-N 2.75Å; C413-L416 PolarHBondContact O-N 3.4Å; C413-S417 VanDerWaalsContact O-CB 3.29Å; C413-S417 WeakPolarHBondContact O-CB 3.47Å; C413-S417 PolarHBondContact O-N 3.44Å |
| 414 | D | 96.5 | Very high | 94.8 | Very high | 99 Ų | 99 | 50 Ų | 50 | 53% | 0.529 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 179.6 | -67.6 | -25.7 | 0 | 0 | 0 | 111.2 | R410 A418 | R410-D414 WeakPolarHBondContact O-CB 3.31Å; R410-D414 PolarHBondContact O-N 2.82Å; D414-A418 WeakPolarHBondContact O-CB 3.5Å; D414-A418 PolarHBondContact O-N 3.25Å |
| 415 | T | 96.1 | Very high | 95 | Very high | 54 Ų | 54 | 49.6 Ų | 49.6 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.6 | -45.9 | 179.5 | -57 | 0 | 0 | 0 | 0 | 111.9 | M344 H411 H412 C413 A418 A419 | M344-T415 HydrophobicContact CE-CG2 3.8Å; H411-T415 PolarHBondContact CE1-OG1 2.83Å; H411-T415 VanDerWaalsContact CE1-OG1 3.29Å; H411-T415 PolarHBondContact ND1-OG1 2.85Å; H411-T415 VanDerWaalsContact O-CB 3.26Å; H411-T415 WeakPolarHBondContact O-CB 3.47Å; H411-T415 PolarHBondContact O-N 3.26Å; H411-T415 PolarHBondContact O-OG1 3.17Å; H412-T415 PolarHBondContact O-N 3.05Å; C413-T415 VanDerWaalsContact C-N 3.33Å; C413-T415 PolarHBondContact O-N 2.75Å; T415-A418 PolarHBondContact O-N 2.79Å; T415-A419 WeakPolarHBondContact O-CB 3.41Å; T415-A419 PolarHBondContact O-N 2.89Å |
| 416 | L | 96 | Very high | 95 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 176.6 | 177.3 | 60.1 | 0 | 0 | 0 | 111 | L340 L343 M344 E347 A374 H412 C413 A418 A419 L420 | L340-L416 HydrophobicContact CD2-CD2 4.34Å; L343-L416 HydrophobicContact CB-CD1 4.45Å; L343-L416 HydrophobicContact CB-CD2 3.77Å; L343-L416 HydrophobicContact CD1-CD2 4.01Å; M344-L416 HydrophobicContact CG-CB 4.11Å; M344-L416 HydrophobicContact CG-CD1 3.97Å; M344-L416 HydrophobicContact CG-CG 4.42Å; E347-L416 HydrophobicContact CB-CD1 4.13Å; E347-L416 HydrophobicContact CG-CD1 4.32Å; A374-L416 HydrophobicContact CB-CD2 4.02Å; H412-L416 WeakPolarHBondContact O-CB 3.19Å; H412-L416 PolarHBondContact O-N 2.84Å; C413-L416 PolarHBondContact O-N 3.4Å; L416-A418 VanDerWaalsContact C-N 3.34Å; L416-A418 PolarHBondContact O-N 2.93Å; L416-A419 PolarHBondContact O-N 2.9Å; L416-L420 HydrophobicContact CD1-CD1 3.9Å; L416-L420 HydrophobicContact CD1-CG 4.07Å; L416-L420 HydrophobicContact CG-CD1 3.92Å; L416-L420 HydrophobicContact CG-CG 4.49Å; L416-L420 VanDerWaalsContact O-CG 3.32Å; L416-L420 WeakPolarHBondContact O-CG 3.23Å; L416-L420 PolarHBondContact O-N 2.94Å |
| 417 | S | 96.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 12% | 0.119 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 178.5 | -161.3 | 0 | 0 | 0 | 0 | 112.2 | C413 K421 | C413-S417 VanDerWaalsContact O-CB 3.29Å; C413-S417 WeakPolarHBondContact O-CB 3.47Å; C413-S417 PolarHBondContact O-N 3.44Å; S417-K421 WeakPolarHBondContact O-CB 3.31Å; S417-K421 WeakPolarHBondContact O-CD 3.39Å; S417-K421 VanDerWaalsContact O-CG 3.25Å; S417-K421 WeakPolarHBondContact O-CG 3.37Å; S417-K421 PolarHBondContact O-N 3.18Å; S417-K421 VanDerWaalsContact O-N 3.12Å; S417-K421 WeakPolarHBondContact OG-CE 3.35Å; S417-K421 PolarHBondContact OG-NZ 3.28Å |
| 418 | A | 95.9 | Very high | 94.7 | Very high | 61 Ų | 61 | 50.5 Ų | 50.5 | 50% | 0.504 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D414 T415 L416 S422 | D414-A418 WeakPolarHBondContact O-CB 3.5Å; D414-A418 PolarHBondContact O-N 3.25Å; T415-A418 PolarHBondContact O-N 2.79Å; L416-A418 VanDerWaalsContact C-N 3.34Å; L416-A418 PolarHBondContact O-N 2.93Å; A418-S422 WeakPolarHBondContact O-CB 3.38Å; A418-S422 PolarHBondContact O-N 3.43Å |
| 419 | A | 94.7 | Very high | 94.5 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 22% | 0.223 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.4 | -48.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E347 T415 L416 S422 K423 | E347-A419 HydrophobicContact CG-CB 4.11Å; T415-A419 WeakPolarHBondContact O-CB 3.41Å; T415-A419 PolarHBondContact O-N 2.89Å; L416-A419 PolarHBondContact O-N 2.9Å; A419-S422 WeakPolarHBondContact O-CB 3.09Å; A419-S422 PolarHBondContact O-N 3.42Å; A419-K423 PolarHBondContact O-N 2.79Å |
| 420 | L | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 177.6 | -68 | 169.2 | 0 | 0 | 0 | 111.5 | E347 L367 L370 E371 A374 L416 S422 K423 H424 | E347-L420 HydrophobicContact CB-CD2 4.38Å; E347-L420 HydrophobicContact CG-CD2 3.97Å; E347-L420 HydrophobicContact CG-CG 4.4Å; L367-L420 HydrophobicContact CD1-CD2 3.6Å; L370-L420 HydrophobicContact CD2-CD2 3.81Å; L370-L420 HydrophobicContact CG-CD2 4.05Å; E371-L420 HydrophobicContact CB-CD1 4.44Å; E371-L420 HydrophobicContact CG-CD1 4.48Å; A374-L420 HydrophobicContact CB-CD1 3.62Å; L416-L420 HydrophobicContact CD1-CD1 3.9Å; L416-L420 HydrophobicContact CD1-CG 4.07Å; L416-L420 HydrophobicContact CG-CD1 3.92Å; L416-L420 HydrophobicContact CG-CG 4.49Å; L416-L420 VanDerWaalsContact O-CG 3.32Å; L416-L420 WeakPolarHBondContact O-CG 3.23Å; L416-L420 PolarHBondContact O-N 2.94Å; L420-S422 VanDerWaalsContact C-N 3.3Å; L420-S422 PolarHBondContact O-N 3.23Å; L420-K423 PolarHBondContact O-N 2.86Å; L420-H424 WeakPolarHBondContact O-CB 3.49Å; L420-H424 PolarHBondContact O-N 2.86Å |
| 421 | K | 94.4 | Very high | 93.9 | Very high | 111 Ų | 111 | 50.2 Ų | 50.2 | 48% | 0.483 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61 | -36.5 | 177.5 | -73.8 | 166.4 | -178.2 | 154.7 | 0 | 113 | S417 S425 | S417-K421 WeakPolarHBondContact O-CB 3.31Å; S417-K421 WeakPolarHBondContact O-CD 3.39Å; S417-K421 VanDerWaalsContact O-CG 3.25Å; S417-K421 WeakPolarHBondContact O-CG 3.37Å; S417-K421 PolarHBondContact O-N 3.18Å; S417-K421 VanDerWaalsContact O-N 3.12Å; S417-K421 WeakPolarHBondContact OG-CE 3.35Å; S417-K421 PolarHBondContact OG-NZ 3.28Å; K421-S425 WeakPolarHBondContact O-CB 3.29Å; K421-S425 PolarHBondContact O-N 3.36Å; K421-S425 PolarHBondContact O-OG 3.29Å |
| 422 | S | 92.9 | Very high | 93.7 | Very high | 82 Ų | 82 | 48.6 Ų | 48.6 | 57% | 0.573 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.6 | -48.2 | 174.6 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | A418 A419 L420 S425 F426 | A418-S422 WeakPolarHBondContact O-CB 3.38Å; A418-S422 PolarHBondContact O-N 3.43Å; A419-S422 WeakPolarHBondContact O-CB 3.09Å; A419-S422 PolarHBondContact O-N 3.42Å; L420-S422 VanDerWaalsContact C-N 3.3Å; L420-S422 PolarHBondContact O-N 3.23Å; S422-S425 PolarHBondContact O-N 2.93Å; S422-F426 PolarHBondContact O-N 3.46Å |
| 423 | K | 92.6 | Very high | 93.4 | Very high | 29 Ų | 29 | 46.6 Ų | 46.6 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 176.3 | -73.8 | -168.3 | 170 | 175.8 | 0 | 113.1 | E347 L350 I352 L367 A419 L420 F426 L427 | E347-K423 PolarHBondContact O-NZ 3.3Å; E347-K423 WeakPolarHBondContact OE1-CD 3.28Å; E347-K423 WeakPolarHBondContact OE1-CE 3.35Å; E347-K423 IonicContact OE1-NZ 2.83Å; E347-K423 PolarHBondContact OE1-NZ 3.25Å; L350-K423 PolarHBondContact O-NZ 3.2Å; I352-K423 HydrophobicContact CD1-CD 4.27Å; I352-K423 HydrophobicContact CD1-CG 3.93Å; I352-K423 HydrophobicContact CG1-CD 4.36Å; I352-K423 HydrophobicContact CG1-CG 4.47Å; L367-K423 HydrophobicContact CD2-CB 3.83Å; A419-K423 PolarHBondContact O-N 2.79Å; L420-K423 PolarHBondContact O-N 2.86Å; K423-F426 PolarHBondContact O-N 2.7Å; K423-L427 WeakPolarHBondContact O-CB 3.39Å; K423-L427 WeakPolarHBondContact O-CG 3.41Å; K423-L427 PolarHBondContact O-N 3.07Å |
| 424 | H | 93 | Very high | 93 | Very high | 62 Ų | 62 | 46.8 Ų | 46.8 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 177.6 | 178.4 | -82.3 | 0 | 0 | 0 | 110.6 | L367 D368 L420 F426 L427 M428 | L367-H424 VanDerWaalsContact CD2-CA 3.5Å; L367-H424 HydrophobicContact CD2-CB 3.77Å; L367-H424 VanDerWaalsContact CD2-N 3.33Å; D368-H424 IonicContact OD1-CD2 3.41Å; L420-H424 WeakPolarHBondContact O-CB 3.49Å; L420-H424 PolarHBondContact O-N 2.86Å; H424-F426 PolarHBondContact O-N 3.41Å; H424-L427 PolarHBondContact O-N 3.11Å; H424-M428 WeakPolarHBondContact O-CB 3.49Å; H424-M428 VanDerWaalsContact O-CG 3.31Å; H424-M428 WeakPolarHBondContact O-CG 3.33Å; H424-M428 PolarHBondContact O-N 2.97Å |
| 425 | S | 92.1 | Very high | 92.7 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 44% | 0.441 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -44.6 | 176.7 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | K421 S422 Q429 | K421-S425 WeakPolarHBondContact O-CB 3.29Å; K421-S425 PolarHBondContact O-N 3.36Å; K421-S425 PolarHBondContact O-OG 3.29Å; S422-S425 PolarHBondContact O-N 2.93Å; S425-Q429 WeakPolarHBondContact O-CG 3.35Å; S425-Q429 PolarHBondContact O-N 3.26Å |
| 426 | F | 91.6 | Very high | 92.3 | Very high | 52 Ų | 52 | 42.7 Ų | 42.7 | 23% | 0.228 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.6 | -48.7 | 175.5 | -176.6 | -75.2 | 0 | 0 | 0 | 111.7 | I352 S422 K423 H424 M428 Q429 T430 A496 V497 | I352-F426 HydrophobicContact CB-CD1 4.46Å; I352-F426 HydrophobicContact CB-CE1 4.36Å; I352-F426 HydrophobicContact CG2-CD1 3.39Å; I352-F426 HydrophobicContact CG2-CE1 3.63Å; I352-F426 HydrophobicContact CG2-CG 4.24Å; S422-F426 PolarHBondContact O-N 3.46Å; K423-F426 PolarHBondContact O-N 2.7Å; H424-F426 PolarHBondContact O-N 3.41Å; F426-M428 PolarHBondContact O-N 3.03Å; F426-Q429 PolarHBondContact O-N 3.04Å; F426-T430 WeakPolarHBondContact CE1-OG1 3.42Å; F426-T430 WeakPolarHBondContact O-CB 3.34Å; F426-T430 PolarHBondContact O-N 3.42Å; F426-T430 PolarHBondContact O-OG1 3.08Å; F426-A496 WeakPolarHBondContact CE2-O 3.39Å; F426-V497 HydrophobicContact CB-CG1 4.49Å; F426-V497 HydrophobicContact CD1-CG1 4.31Å; F426-V497 HydrophobicContact CD2-CB 4.46Å; F426-V497 HydrophobicContact CD2-CG1 3.74Å; F426-V497 HydrophobicContact CE1-CG1 4.48Å; F426-V497 HydrophobicContact CE2-CB 4.16Å; F426-V497 HydrophobicContact CE2-CG1 3.93Å; F426-V497 HydrophobicContact CG-CG1 3.93Å; F426-V497 HydrophobicContact CZ-CB 4.21Å; F426-V497 HydrophobicContact CZ-CG1 4.3Å |
| 427 | L | 91.9 | Very high | 92 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.5 | -36.7 | -178.2 | -71.9 | 174.1 | 0 | 0 | 0 | 112.3 | I352 V354 T360 L363 L364 L367 K423 H424 T430 H431 | I352-L427 HydrophobicContact CG2-CD2 3.55Å; I352-L427 HydrophobicContact CG2-CG 3.89Å; V354-L427 HydrophobicContact CG2-CD2 3.75Å; T360-L427 HydrophobicContact CG2-CD2 4.25Å; T360-L427 WeakPolarHBondContact CG2-O 3.38Å; L363-L427 HydrophobicContact CB-CD1 4.48Å; L363-L427 HydrophobicContact CD2-CD1 4.05Å; L363-L427 HydrophobicContact CD2-CD2 3.81Å; L363-L427 HydrophobicContact CG-CD1 3.85Å; L363-L427 HydrophobicContact CG-CD2 4.37Å; L364-L427 HydrophobicContact CD2-CB 3.48Å; L364-L427 VanDerWaalsContact CD2-CB 3.48Å; L364-L427 HydrophobicContact CD2-CD1 4.35Å; L364-L427 HydrophobicContact CG-CB 3.9Å; L367-L427 HydrophobicContact CD2-CD1 3.95Å; K423-L427 WeakPolarHBondContact O-CB 3.39Å; K423-L427 WeakPolarHBondContact O-CG 3.41Å; K423-L427 PolarHBondContact O-N 3.07Å; H424-L427 PolarHBondContact O-N 3.11Å; L427-T430 PolarHBondContact O-N 3.36Å; L427-H431 VanDerWaalsContact O-CB 3.26Å; L427-H431 WeakPolarHBondContact O-CB 3.35Å; L427-H431 PolarHBondContact O-N 2.97Å |
| 428 | M | 91.8 | Very high | 91.6 | Very high | 90 Ų | 90 | 44.2 Ų | 44.2 | 44% | 0.443 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.3 | -42.1 | 175.1 | -75.5 | -63.4 | -72.2 | 0 | 0 | 112.6 | L364 H424 F426 H431 Q432 | L364-M428 HydrophobicContact CD1-SD 3.92Å; L364-M428 HydrophobicContact CD2-CG 3.97Å; L364-M428 HydrophobicContact CD2-SD 3.93Å; H424-M428 WeakPolarHBondContact O-CB 3.49Å; H424-M428 VanDerWaalsContact O-CG 3.31Å; H424-M428 WeakPolarHBondContact O-CG 3.33Å; H424-M428 PolarHBondContact O-N 2.97Å; F426-M428 PolarHBondContact O-N 3.03Å; M428-H431 PolarHBondContact O-N 3.32Å; M428-Q432 WeakPolarHBondContact O-CB 3.06Å; M428-Q432 PolarHBondContact O-N 2.91Å |
| 429 | Q | 91.1 | Very high | 91.3 | Very high | 92 Ų | 92 | 45.8 Ų | 45.8 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 172.8 | -76.5 | 178.7 | -9.6 | 0 | 0 | 111.7 | S425 F426 Q432 L433 V497 | S425-Q429 WeakPolarHBondContact O-CG 3.35Å; S425-Q429 PolarHBondContact O-N 3.26Å; F426-Q429 PolarHBondContact O-N 3.04Å; Q429-Q432 PolarHBondContact O-N 2.86Å; Q429-L433 PolarHBondContact O-N 2.87Å; Q429-V497 HydrophobicContact CB-CG1 3.69Å; Q429-V497 HydrophobicContact CB-CG2 4.2Å |
| 430 | T | 90.8 | Very high | 91 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 176 | -55.1 | 0 | 0 | 0 | 0 | 112 | V354 F426 L427 L433 L434 L502 | V354-T430 HydrophobicContact CG2-CG2 4.06Å; F426-T430 WeakPolarHBondContact CE1-OG1 3.42Å; F426-T430 WeakPolarHBondContact O-CB 3.34Å; F426-T430 PolarHBondContact O-N 3.42Å; F426-T430 PolarHBondContact O-OG1 3.08Å; L427-T430 PolarHBondContact O-N 3.36Å; T430-L433 PolarHBondContact O-N 2.81Å; T430-L434 HydrophobicContact CG2-CD1 3.97Å; T430-L434 WeakPolarHBondContact O-CB 3.48Å; T430-L434 WeakPolarHBondContact O-CG 3.4Å; T430-L434 PolarHBondContact O-N 3.44Å; T430-L502 HydrophobicContact CG2-CD1 4.07Å |
| 431 | H | 91.6 | Very high | 90.7 | Very high | 37 Ų | 37 | 48.2 Ų | 48.2 | 17% | 0.171 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 174.8 | 174.5 | -88.1 | 0 | 0 | 0 | 111.2 | T360 L364 L427 M428 L433 L434 L435 | T360-H431 HydrophobicContact CG2-CB 3.81Å; L364-H431 HydrophobicContact CD1-CB 4.04Å; L427-H431 VanDerWaalsContact O-CB 3.26Å; L427-H431 WeakPolarHBondContact O-CB 3.35Å; L427-H431 PolarHBondContact O-N 2.97Å; M428-H431 PolarHBondContact O-N 3.32Å; H431-L433 PolarHBondContact O-N 2.95Å; H431-L434 PolarHBondContact O-N 3.47Å; H431-L435 WeakPolarHBondContact O-CB 3.38Å; H431-L435 PolarHBondContact O-N 3.11Å |
| 432 | Q | 90.4 | Very high | 90.5 | Very high | 86 Ų | 86 | 46.7 Ų | 46.7 | 40% | 0.402 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 178.4 | -173.9 | 60.6 | 31 | 0 | 0 | 111.8 | M428 Q429 L435 C436 | M428-Q432 WeakPolarHBondContact O-CB 3.06Å; M428-Q432 PolarHBondContact O-N 2.91Å; Q429-Q432 PolarHBondContact O-N 2.86Å; Q432-L435 PolarHBondContact O-N 3.18Å; Q432-C436 PolarHBondContact NE2-SG 3.24Å; Q432-C436 VanDerWaalsContact NE2-SG 3.37Å; Q432-C436 WeakPolarHBondContact O-CB 3.47Å; Q432-C436 PolarHBondContact O-N 3.34Å; Q432-C436 PolarHBondContact O-SG 3.07Å; Q432-C436 VanDerWaalsContact O-SG 3.36Å |
| 433 | L | 88.9 | Confident | 90.5 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.4 | -48.1 | 175.3 | 178 | 59.8 | 0 | 0 | 0 | 112 | Q429 T430 H431 C436 L437 M482 Y494 V497 I498 L502 I506 | Q429-L433 PolarHBondContact O-N 2.87Å; T430-L433 PolarHBondContact O-N 2.81Å; H431-L433 PolarHBondContact O-N 2.95Å; L433-C436 PolarHBondContact O-N 3.34Å; L433-L437 HydrophobicContact CD1-CD1 4.17Å; L433-L437 HydrophobicContact CD1-CG 4.35Å; L433-L437 HydrophobicContact CG-CD1 4.1Å; L433-L437 WeakPolarHBondContact O-CB 3.29Å; L433-L437 WeakPolarHBondContact O-CG 3.15Å; L433-L437 PolarHBondContact O-N 2.87Å; L433-M482 HydrophobicContact CD1-CE 4.48Å; L433-Y494 HydrophobicContact CB-CD1 3.78Å; L433-Y494 HydrophobicContact CB-CE1 3.91Å; L433-Y494 HydrophobicContact CB-CG 4.35Å; L433-Y494 HydrophobicContact CD1-CD1 4.35Å; L433-Y494 HydrophobicContact CD1-CD2 4.13Å; L433-Y494 HydrophobicContact CD1-CE2 4.48Å; L433-Y494 HydrophobicContact CD1-CG 4.08Å; L433-Y494 HydrophobicContact CD2-CD1 4.33Å; L433-Y494 HydrophobicContact CD2-CG 4.27Å; L433-Y494 HydrophobicContact CG-CD1 4.37Å; L433-Y494 HydrophobicContact CG-CG 4.46Å; L433-V497 HydrophobicContact CD2-CG2 4.43Å; L433-I498 HydrophobicContact CD2-CG1 4.38Å; L433-L502 HydrophobicContact CD2-CD1 4.43Å; L433-I506 HydrophobicContact CD1-CD1 4.32Å; L433-I506 HydrophobicContact CD2-CD1 4.34Å |
| 434 | L | 89.7 | Confident | 90.4 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 7% | 0.068 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.2 | -38.8 | 178.5 | -76.6 | 165.8 | 0 | 0 | 0 | 112.7 | L357 T360 T430 H431 L437 G438 L502 | L357-L434 HydrophobicContact CD1-CB 4.02Å; T360-L434 WeakPolarHBondContact OG1-CD1 3.27Å; T430-L434 HydrophobicContact CG2-CD1 3.97Å; T430-L434 WeakPolarHBondContact O-CB 3.48Å; T430-L434 WeakPolarHBondContact O-CG 3.4Å; T430-L434 PolarHBondContact O-N 3.44Å; H431-L434 PolarHBondContact O-N 3.47Å; L434-L437 PolarHBondContact O-N 3.08Å; L434-G438 PolarHBondContact O-N 2.89Å; L434-L502 HydrophobicContact CD2-CD2 3.69Å; L434-L502 HydrophobicContact CG-CD2 4.06Å |
| 435 | L | 90.7 | Very high | 90.3 | Very high | 57 Ų | 57 | 43 Ų | 43 | 30% | 0.298 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 175.7 | 180 | 64.4 | 0 | 0 | 0 | 111 | L357 H431 Q432 G438 Q439 | L357-L435 HydrophobicContact CD1-CB 4.23Å; L357-L435 HydrophobicContact CD2-CD1 4.37Å; H431-L435 WeakPolarHBondContact O-CB 3.38Å; H431-L435 PolarHBondContact O-N 3.11Å; Q432-L435 PolarHBondContact O-N 3.18Å; L435-G438 PolarHBondContact O-N 3.06Å; L435-Q439 WeakPolarHBondContact O-CG 3.26Å; L435-Q439 PolarHBondContact O-N 3Å |
| 436 | C | 88 | Confident | 90.2 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | 177.1 | -75.2 | 0 | 0 | 0 | 0 | 112.8 | Q432 L433 G438 Q439 A440 M482 | Q432-C436 PolarHBondContact NE2-SG 3.24Å; Q432-C436 VanDerWaalsContact NE2-SG 3.37Å; Q432-C436 WeakPolarHBondContact O-CB 3.47Å; Q432-C436 PolarHBondContact O-N 3.34Å; Q432-C436 PolarHBondContact O-SG 3.07Å; Q432-C436 VanDerWaalsContact O-SG 3.36Å; L433-C436 PolarHBondContact O-N 3.34Å; C436-G438 VanDerWaalsContact C-N 3.33Å; C436-Q439 PolarHBondContact O-N 2.7Å; C436-A440 WeakPolarHBondContact O-CB 3.29Å; C436-A440 PolarHBondContact O-N 2.95Å; C436-M482 HydrophobicContact CB-CE 3.56Å; C436-M482 HydrophobicContact CB-CG 3.78Å; C436-M482 HydrophobicContact CB-SD 3.63Å |
| 437 | L | 88 | Confident | 90.1 | Very high | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.068 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -39.1 | 171.5 | -74.7 | 169.4 | 0 | 0 | 0 | 111.8 | L433 L434 A440 Q441 I506 M509 | L433-L437 HydrophobicContact CD1-CD1 4.17Å; L433-L437 HydrophobicContact CD1-CG 4.35Å; L433-L437 HydrophobicContact CG-CD1 4.1Å; L433-L437 WeakPolarHBondContact O-CB 3.29Å; L433-L437 WeakPolarHBondContact O-CG 3.15Å; L433-L437 PolarHBondContact O-N 2.87Å; L434-L437 PolarHBondContact O-N 3.08Å; L437-A440 PolarHBondContact O-N 3.12Å; L437-Q441 VanDerWaalsContact O-CB 3.28Å; L437-Q441 WeakPolarHBondContact O-CB 3.48Å; L437-Q441 PolarHBondContact O-N 3.31Å; L437-I506 HydrophobicContact CD1-CG1 3.9Å; L437-I506 HydrophobicContact CD2-CB 4.45Å; L437-I506 HydrophobicContact CD2-CG1 4.04Å; L437-M509 HydrophobicContact CD2-CB 4.15Å; L437-M509 HydrophobicContact CD2-CE 4.03Å; L437-M509 HydrophobicContact CD2-CG 4.14Å |
| 438 | G | 88.8 | Confident | 89.9 | Confident | 36 Ų | 36 | 43.3 Ų | 43.3 | 37% | 0.371 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.8 | -48.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L434 L435 C436 A440 Q441 T442 | L434-G438 PolarHBondContact O-N 2.89Å; L435-G438 PolarHBondContact O-N 3.06Å; C436-G438 VanDerWaalsContact C-N 3.33Å; G438-A440 PolarHBondContact O-N 3.03Å; G438-Q441 WeakPolarHBondContact O-CB 3.48Å; G438-Q441 PolarHBondContact O-N 2.76Å; G438-T442 PolarHBondContact O-N 2.69Å; G438-T442 PolarHBondContact O-OG1 2.94Å; G438-T442 VanDerWaalsContact O-OG1 3.13Å |
| 439 | Q | 89.3 | Confident | 89.8 | Confident | 94 Ų | 94 | 46.6 Ų | 46.6 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 177.1 | -69.7 | 172 | 7.9 | 0 | 0 | 112.4 | L435 C436 T442 W443 | L435-Q439 WeakPolarHBondContact O-CG 3.26Å; L435-Q439 PolarHBondContact O-N 3Å; C436-Q439 PolarHBondContact O-N 2.7Å; Q439-T442 WeakPolarHBondContact CA-OG1 3.48Å; Q439-T442 PolarHBondContact O-N 3.47Å; Q439-T442 PolarHBondContact O-OG1 3.4Å; Q439-W443 PolarHBondContact O-N 3.42Å |
| 440 | A | 88.6 | Confident | 89.7 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C436 L437 G438 W443 C444 L483 M509 | C436-A440 WeakPolarHBondContact O-CB 3.29Å; C436-A440 PolarHBondContact O-N 2.95Å; L437-A440 PolarHBondContact O-N 3.12Å; G438-A440 PolarHBondContact O-N 3.03Å; A440-W443 PolarHBondContact O-N 3.25Å; A440-C444 PolarHBondContact O-N 3.38Å; A440-C444 PolarHBondContact O-SG 3.18Å; A440-L483 HydrophobicContact CB-CD2 3.94Å; A440-L483 HydrophobicContact CB-CG 4.27Å; A440-M509 HydrophobicContact CB-CE 4.14Å; A440-M509 HydrophobicContact CB-CG 4.2Å; A440-M509 HydrophobicContact CB-SD 3.61Å |
| 441 | Q | 89.4 | Confident | 89.4 | Confident | 78 Ų | 78 | 45.2 Ų | 45.2 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.5 | -47.4 | 174.7 | 179.9 | 72.7 | -11.9 | 0 | 0 | 111.6 | L437 G438 W443 C444 D445 | L437-Q441 VanDerWaalsContact O-CB 3.28Å; L437-Q441 WeakPolarHBondContact O-CB 3.48Å; L437-Q441 PolarHBondContact O-N 3.31Å; G438-Q441 WeakPolarHBondContact O-CB 3.48Å; G438-Q441 PolarHBondContact O-N 2.76Å; Q441-W443 PolarHBondContact O-N 2.97Å; Q441-C444 WeakPolarHBondContact O-CB 3.36Å; Q441-C444 PolarHBondContact O-N 2.82Å; Q441-C444 VanDerWaalsContact O-N 3.16Å; Q441-D445 PolarHBondContact O-N 3.16Å |
| 442 | T | 90 | Very high | 89.1 | Confident | 79 Ų | 79 | 47.4 Ų | 47.4 | 49% | 0.485 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 177.3 | 46.2 | 0 | 0 | 0 | 0 | 112 | G438 Q439 C444 D445 D446 | G438-T442 PolarHBondContact O-N 2.69Å; G438-T442 PolarHBondContact O-OG1 2.94Å; G438-T442 VanDerWaalsContact O-OG1 3.13Å; Q439-T442 WeakPolarHBondContact CA-OG1 3.48Å; Q439-T442 PolarHBondContact O-N 3.47Å; Q439-T442 PolarHBondContact O-OG1 3.4Å; T442-C444 VanDerWaalsContact C-N 3.32Å; T442-C444 PolarHBondContact O-N 2.92Å; T442-D445 PolarHBondContact O-N 3.01Å; T442-D446 WeakPolarHBondContact O-CB 3.41Å; T442-D446 PolarHBondContact O-N 2.92Å |
| 443 | W | 92.2 | Very high | 88.6 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 6% | 0.064 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 173.8 | -174.5 | 91.8 | 0 | 0 | 0 | 111.6 | Q439 A440 Q441 D445 D446 G447 F475 L476 A479 P480 L483 H513 I520 | Q439-W443 PolarHBondContact O-N 3.42Å; A440-W443 PolarHBondContact O-N 3.25Å; Q441-W443 PolarHBondContact O-N 2.97Å; W443-D445 PolarHBondContact O-N 2.8Å; W443-D446 PolarHBondContact O-N 3.38Å; W443-G447 PolarHBondContact O-N 3.33Å; W443-F475 AromaticContact CD1-CZ 3.75Å; W443-F475 HydrophobicContact CD2-CE1 4.05Å; W443-F475 AromaticContact CD2-CZ 3.82Å; W443-F475 HydrophobicContact CD2-CZ 3.82Å; W443-F475 AromaticContact CE2-CE1 3.38Å; W443-F475 AromaticContact CE2-CZ 3.47Å; W443-F475 VanDerWaalsContact CE2-CZ 3.47Å; W443-F475 HydrophobicContact CG-CZ 4.01Å; W443-F475 AromaticContact CH2-CE1 3.94Å; W443-F475 HydrophobicContact CH2-CE1 3.94Å; W443-F475 AromaticContact CZ2-CD1 3.94Å; W443-F475 HydrophobicContact CZ2-CD1 3.94Å; W443-F475 AromaticContact CZ2-CE1 3.34Å; W443-F475 HydrophobicContact CZ2-CE1 3.34Å; W443-F475 AromaticContact CZ2-CZ 3.96Å; W443-F475 HydrophobicContact CZ2-CZ 3.96Å; W443-F475 HydrophobicContact CZ3-CE1 4.48Å; W443-F475 AromaticContact NE1-CE1 3.64Å; W443-F475 AromaticContact NE1-CE2 3.86Å; W443-F475 AromaticContact NE1-CZ 3.39Å; W443-F475 PolarHBondContact NE1-O 3.35Å; W443-F475 WeakPolarHBondContact O-CZ 3.38Å; W443-L476 HydrophobicContact CH2-CD2 4.2Å; W443-L476 HydrophobicContact CZ2-CD2 4.15Å; W443-A479 HydrophobicContact CZ2-CB 3.89Å; W443-P480 HydrophobicContact CB-CG 4.16Å; W443-P480 HydrophobicContact CG-CG 4.44Å; W443-L483 HydrophobicContact CD2-CD1 4.11Å; W443-L483 HydrophobicContact CE3-CD1 3.72Å; W443-L483 HydrophobicContact CZ3-CD1 4.15Å; W443-H513 AromaticContact CZ3-CD2 3.62Å; W443-H513 AromaticContact CZ3-NE2 3.81Å; W443-I520 HydrophobicContact CH2-CD1 4.28Å |
| 444 | C | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 175.2 | -66.2 | 0 | 0 | 0 | 0 | 112.8 | A440 Q441 T442 A448 K512 V516 | A440-C444 PolarHBondContact O-N 3.38Å; A440-C444 PolarHBondContact O-SG 3.18Å; Q441-C444 WeakPolarHBondContact O-CB 3.36Å; Q441-C444 PolarHBondContact O-N 2.82Å; Q441-C444 VanDerWaalsContact O-N 3.16Å; T442-C444 VanDerWaalsContact C-N 3.32Å; T442-C444 PolarHBondContact O-N 2.92Å; C444-A448 WeakPolarHBondContact O-CB 3.29Å; C444-A448 PolarHBondContact O-N 2.79Å; C444-A448 VanDerWaalsContact O-N 3.09Å; C444-K512 HydrophobicContact CB-CD 3.86Å; C444-K512 HydrophobicContact CB-CG 4.19Å; C444-V516 HydrophobicContact CB-CG2 4.26Å |
| 445 | D | 90.1 | Very high | 87 | Confident | 78 Ų | 78 | 52.4 Ų | 52.4 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.3 | -44.6 | 175.8 | -73.9 | -49.2 | 0 | 0 | 0 | 112.3 | Q441 T442 W443 G447 A448 Y449 K512 | Q441-D445 PolarHBondContact O-N 3.16Å; T442-D445 PolarHBondContact O-N 3.01Å; W443-D445 PolarHBondContact O-N 2.8Å; D445-G447 VanDerWaalsContact C-N 3.3Å; D445-G447 PolarHBondContact O-N 3.46Å; D445-A448 PolarHBondContact O-N 3.38Å; D445-Y449 VanDerWaalsContact O-CB 3.29Å; D445-Y449 WeakPolarHBondContact O-CB 3.46Å; D445-Y449 PolarHBondContact O-N 2.84Å; D445-K512 WeakPolarHBondContact OD1-CE 3.43Å; D445-K512 IonicContact OD1-NZ 3.69Å; D445-K512 PolarHBondContact OD1-NZ 2.84Å; D445-K512 IonicContact OD2-NZ 3.66Å; D445-K512 PolarHBondContact OD2-NZ 3.4Å |
| 446 | D | 90.3 | Very high | 85.7 | Confident | 94 Ų | 94 | 54.2 Ų | 54.2 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 174.7 | -77.6 | -25.7 | 0 | 0 | 0 | 111.6 | T442 W443 Y449 L450 F475 | T442-D446 WeakPolarHBondContact O-CB 3.41Å; T442-D446 PolarHBondContact O-N 2.92Å; W443-D446 PolarHBondContact O-N 3.38Å; D446-Y449 PolarHBondContact O-N 2.82Å; D446-L450 VanDerWaalsContact O-CB 3.26Å; D446-L450 WeakPolarHBondContact O-CB 3.36Å; D446-L450 PolarHBondContact O-N 2.81Å; D446-F475 HydrophobicContact CB-CE2 4.03Å; D446-F475 HydrophobicContact CB-CZ 4.41Å |
| 447 | G | 89.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | W443 D445 L451 | W443-G447 PolarHBondContact O-N 3.33Å; D445-G447 VanDerWaalsContact C-N 3.3Å; D445-G447 PolarHBondContact O-N 3.46Å; G447-L451 VanDerWaalsContact O-CG 3.27Å; G447-L451 WeakPolarHBondContact O-CG 3.25Å; G447-L451 PolarHBondContact O-N 2.87Å; G447-L451 VanDerWaalsContact O-N 3.12Å |
| 448 | A | 89.1 | Confident | 82.8 | Confident | 31 Ų | 31 | 66.3 Ų | 66.3 | 26% | 0.256 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | C444 D445 L451 A452 V516 | C444-A448 WeakPolarHBondContact O-CB 3.29Å; C444-A448 PolarHBondContact O-N 2.79Å; C444-A448 VanDerWaalsContact O-N 3.09Å; D445-A448 PolarHBondContact O-N 3.38Å; A448-L451 PolarHBondContact O-N 3.06Å; A448-A452 WeakPolarHBondContact O-CB 3.27Å; A448-A452 PolarHBondContact O-N 2.96Å; A448-V516 HydrophobicContact CB-CG2 4.43Å |
| 449 | Y | 89.1 | Confident | 81.3 | Confident | 160 Ų | 160 | 64.7 Ų | 64.7 | 63% | 0.627 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68 | -40.2 | 178.4 | -175.9 | -106.3 | 0 | 0 | 0 | 112.5 | D445 D446 A452 N453 | D445-Y449 VanDerWaalsContact O-CB 3.29Å; D445-Y449 WeakPolarHBondContact O-CB 3.46Å; D445-Y449 PolarHBondContact O-N 2.84Å; D446-Y449 PolarHBondContact O-N 2.82Å; Y449-A452 PolarHBondContact O-N 3.27Å; Y449-N453 VanDerWaalsContact CD2-ND2 3.31Å; Y449-N453 WeakPolarHBondContact CD2-ND2 3.41Å; Y449-N453 WeakPolarHBondContact CE1-ND2 3.41Å; Y449-N453 WeakPolarHBondContact CE2-ND2 3.18Å; Y449-N453 WeakPolarHBondContact O-CB 3.48Å; Y449-N453 PolarHBondContact O-N 3.24Å; Y449-N453 PolarHBondContact O-ND2 3.35Å |
| 450 | L | 88.3 | Confident | 80.1 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 22% | 0.22 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.9 | -49.5 | 172.4 | -178.5 | 158.1 | 0 | 0 | 0 | 110.3 | D446 A452 N453 Q454 I472 F475 | D446-L450 VanDerWaalsContact O-CB 3.26Å; D446-L450 WeakPolarHBondContact O-CB 3.36Å; D446-L450 PolarHBondContact O-N 2.81Å; L450-A452 VanDerWaalsContact C-N 3.34Å; L450-A452 PolarHBondContact O-N 3.06Å; L450-N453 PolarHBondContact O-N 3.5Å; L450-Q454 HydrophobicContact CD2-CG 4.5Å; L450-Q454 WeakPolarHBondContact O-CG 3.43Å; L450-Q454 PolarHBondContact O-N 2.82Å; L450-I472 HydrophobicContact CD2-CG1 3.84Å; L450-F475 HydrophobicContact CD1-CB 3.83Å; L450-F475 HydrophobicContact CD1-CD2 3.93Å; L450-F475 HydrophobicContact CD1-CG 3.85Å |
| 451 | L | 85.5 | Confident | 79.1 | Confident | 22 Ų | 22 | 69.1 Ų | 69.1 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 178.5 | -70.3 | 175.3 | 0 | 0 | 0 | 112.8 | G447 A448 I472 M519 I520 R523 | G447-L451 VanDerWaalsContact O-CG 3.27Å; G447-L451 WeakPolarHBondContact O-CG 3.25Å; G447-L451 PolarHBondContact O-N 2.87Å; G447-L451 VanDerWaalsContact O-N 3.12Å; A448-L451 PolarHBondContact O-N 3.06Å; L451-I472 HydrophobicContact CD2-CD1 4.16Å; L451-M519 HydrophobicContact CD1-CB 3.64Å; L451-M519 HydrophobicContact CD1-CE 4.2Å; L451-I520 HydrophobicContact CD1-CG1 3.82Å; L451-I520 HydrophobicContact CD2-CG1 4.47Å; L451-I520 HydrophobicContact CG-CG1 4.4Å; L451-R523 HydrophobicContact CD2-CB 3.64Å; L451-R523 HydrophobicContact CD2-CG 3.65Å |
| 452 | A | 84.4 | Confident | 78.3 | Confident | 83 Ų | 83 | 70.3 Ų | 70.3 | 69% | 0.686 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -68.1 | -35.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | A448 Y449 L450 | A448-A452 WeakPolarHBondContact O-CB 3.27Å; A448-A452 PolarHBondContact O-N 2.96Å; Y449-A452 PolarHBondContact O-N 3.27Å; L450-A452 VanDerWaalsContact C-N 3.34Å; L450-A452 PolarHBondContact O-N 3.06Å |
| 453 | N | 80.5 | Confident | 77.6 | Confident | 87 Ų | 87 | 72.6 Ų | 72.6 | 47% | 0.465 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -85.4 | -4.2 | -178.5 | -74.8 | -66.9 | 0 | 0 | 0 | 114.7 | Y449 L450 L455 | Y449-N453 VanDerWaalsContact CD2-ND2 3.31Å; Y449-N453 WeakPolarHBondContact CD2-ND2 3.41Å; Y449-N453 WeakPolarHBondContact CE1-ND2 3.41Å; Y449-N453 WeakPolarHBondContact CE2-ND2 3.18Å; Y449-N453 WeakPolarHBondContact O-CB 3.48Å; Y449-N453 PolarHBondContact O-N 3.24Å; Y449-N453 PolarHBondContact O-ND2 3.35Å; L450-N453 PolarHBondContact O-N 3.5Å; N453-L455 VanDerWaalsContact C-N 3.26Å; N453-L455 PolarHBondContact O-N 2.75Å |
| 454 | Q | 78.4 | Confident | 76.9 | Confident | 14 Ų | 14 | 72.4 Ų | 72.4 | 7% | 0.065 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -70.4 | 81.7 | 171.8 | -77.5 | -169.4 | -8.7 | 0 | 0 | 111.6 | L450 V456 S468 R523 | L450-Q454 HydrophobicContact CD2-CG 4.5Å; L450-Q454 WeakPolarHBondContact O-CG 3.43Å; L450-Q454 PolarHBondContact O-N 2.82Å; Q454-V456 PolarHBondContact O-N 3Å; Q454-V456 VanDerWaalsContact O-N 3.1Å; Q454-S468 PolarHBondContact NE2-O 2.87Å; Q454-R523 PolarHBondContact O-NH2 3.29Å |
| 455 | L | 67.1 | Low | 76.3 | Confident | 103 Ų | 103 | 72.4 Ų | 72.4 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | trans | -42.8 | 113.6 | 179.1 | -69.8 | 172.4 | 0 | 0 | 0 | 112.1 | N453 D457 K458 S459 | N453-L455 VanDerWaalsContact C-N 3.26Å; N453-L455 PolarHBondContact O-N 2.75Å; L455-D457 PolarHBondContact O-N 3.41Å; L455-D457 VanDerWaalsContact O-N 3.16Å; L455-K458 HydrophobicContact CB-CB 4.41Å; L455-K458 HydrophobicContact CB-CD 4.44Å; L455-K458 HydrophobicContact CB-CG 4.32Å; L455-K458 HydrophobicContact CD1-CD 4.03Å; L455-K458 PolarHBondContact O-N 3.25Å; L455-S459 PolarHBondContact O-N 2.95Å | ||
| 456 | V | 63.2 | Low | 75.8 | Confident | 96 Ų | 96 | 72.6 Ų | 72.6 | 58% | 0.582 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -53.2 | -43.8 | -173.2 | -177 | 0 | 0 | 0 | 0 | 111.1 | Q454 K458 S459 Q460 | Q454-V456 PolarHBondContact O-N 3Å; Q454-V456 VanDerWaalsContact O-N 3.1Å; V456-K458 PolarHBondContact O-N 3.41Å; V456-S459 WeakPolarHBondContact CA-OG 3.28Å; V456-S459 PolarHBondContact O-N 2.91Å; V456-S459 PolarHBondContact O-OG 2.98Å; V456-Q460 WeakPolarHBondContact O-CG 3.36Å; V456-Q460 PolarHBondContact O-N 3.33Å |
| 457 | D | 55.6 | Low | 75.4 | Confident | 126 Ų | 126 | 73.4 Ų | 73.4 | 67% | 0.674 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -61.6 | -38.1 | -178.5 | -52.8 | -48.2 | 0 | 0 | 0 | 113.7 | L455 S459 | L455-D457 PolarHBondContact O-N 3.41Å; L455-D457 VanDerWaalsContact O-N 3.16Å; D457-S459 VanDerWaalsContact C-N 3.31Å |
| 458 | K | 58 | Low | 75.1 | Confident | 151 Ų | 151 | 74.1 Ų | 74.1 | 66% | 0.657 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -73.2 | -25.7 | 176.1 | -66.9 | -173.2 | -178.5 | 177.6 | 0 | 112.2 | L455 V456 Q460 | L455-K458 HydrophobicContact CB-CB 4.41Å; L455-K458 HydrophobicContact CB-CD 4.44Å; L455-K458 HydrophobicContact CB-CG 4.32Å; L455-K458 HydrophobicContact CD1-CD 4.03Å; L455-K458 PolarHBondContact O-N 3.25Å; V456-K458 PolarHBondContact O-N 3.41Å; K458-Q460 VanDerWaalsContact C-N 3.31Å; K458-Q460 PolarHBondContact O-N 2.87Å |
| 459 | S | 58.4 | Low | 74.8 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.014 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -84.7 | 5.6 | 178.7 | 64.7 | 0 | 0 | 0 | 0 | 115 | L455 V456 D457 R523 | L455-S459 PolarHBondContact O-N 2.95Å; V456-S459 WeakPolarHBondContact CA-OG 3.28Å; V456-S459 PolarHBondContact O-N 2.91Å; V456-S459 PolarHBondContact O-OG 2.98Å; D457-S459 VanDerWaalsContact C-N 3.31Å; S459-R523 PolarHBondContact OG-NH2 3.37Å |
| 460 | Q | 64 | Low | 74.6 | Confident | 133 Ų | 133 | 73.1 Ų | 73.1 | 62% | 0.621 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -84 | -16.4 | 176.4 | -55.1 | -169 | 30.5 | 0 | 0 | 113.9 | V456 K458 | V456-Q460 WeakPolarHBondContact O-CG 3.36Å; V456-Q460 PolarHBondContact O-N 3.33Å; K458-Q460 VanDerWaalsContact C-N 3.31Å; K458-Q460 PolarHBondContact O-N 2.87Å |
| 461 | S | 67.8 | Low | 74.6 | Confident | 56 Ų | 56 | 75.6 Ų | 75.6 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -89.2 | 158.1 | 173.9 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | G464 A465 | S461-G464 PolarHBondContact O-N 3.46Å; S461-G464 PolarHBondContact OG-N 2.86Å; S461-G464 VanDerWaalsContact OG-N 3.12Å; S461-A465 WeakPolarHBondContact O-CB 3.48Å; S461-A465 PolarHBondContact O-N 2.77Å |
| 462 | K | 73.4 | Confident | 74.7 | Confident | 102 Ų | 102 | 74.6 Ų | 74.6 | 44% | 0.443 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | -178.8 | -176.1 | 165.7 | -178.3 | 157.4 | 0 | 111.8 | A465 Q466 A531 | K462-A465 PolarHBondContact O-N 3.28Å; K462-Q466 WeakPolarHBondContact O-CB 3.3Å; K462-Q466 WeakPolarHBondContact O-CG 3.37Å; K462-Q466 PolarHBondContact O-N 3.49Å; K462-A531 WeakPolarHBondContact CD-O 3.45Å; K462-A531 WeakPolarHBondContact CE-O 3.32Å; K462-A531 PolarHBondContact NZ-O 3.02Å |
| 463 | E | 74.4 | Confident | 74.8 | Confident | 128 Ų | 128 | 74.4 Ų | 74.4 | 60% | 0.598 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 175.3 | -62.6 | 72.9 | -162 | 0 | 0 | 111.1 | Q466 M467 | E463-Q466 PolarHBondContact O-N 2.83Å; E463-M467 WeakPolarHBondContact O-CB 3.46Å; E463-M467 PolarHBondContact O-N 3.33Å |
| 464 | G | 77.5 | Confident | 75.2 | Confident | 12 Ų | 12 | 77.7 Ų | 77.7 | 12% | 0.124 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S461 Q466 M467 S468 | S461-G464 PolarHBondContact O-N 3.46Å; S461-G464 PolarHBondContact OG-N 2.86Å; S461-G464 VanDerWaalsContact OG-N 3.12Å; G464-Q466 VanDerWaalsContact C-N 3.33Å; G464-Q466 PolarHBondContact O-N 2.91Å; G464-M467 PolarHBondContact O-N 2.95Å; G464-M467 VanDerWaalsContact O-N 3.16Å; G464-S468 PolarHBondContact O-N 3.35Å; G464-S468 PolarHBondContact O-OG 2.84Å |
| 465 | A | 77.4 | Confident | 75.8 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S461 K462 M467 L469 L527 L530 A531 | S461-A465 WeakPolarHBondContact O-CB 3.48Å; S461-A465 PolarHBondContact O-N 2.77Å; K462-A465 PolarHBondContact O-N 3.28Å; A465-M467 VanDerWaalsContact C-N 3.34Å; A465-L469 WeakPolarHBondContact O-CG 3.27Å; A465-L469 PolarHBondContact O-N 2.86Å; A465-L527 HydrophobicContact CB-CD2 4.25Å; A465-L530 HydrophobicContact CB-CB 4.27Å; A465-A531 HydrophobicContact CB-CB 4.27Å |
| 466 | Q | 79.5 | Confident | 76.7 | Confident | 83 Ų | 83 | 76.6 Ų | 76.6 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -72.4 | -22.4 | 174.7 | -73.6 | -177.7 | -12.4 | 0 | 0 | 114.2 | K462 E463 G464 R470 A531 | K462-Q466 WeakPolarHBondContact O-CB 3.3Å; K462-Q466 WeakPolarHBondContact O-CG 3.37Å; K462-Q466 PolarHBondContact O-N 3.49Å; E463-Q466 PolarHBondContact O-N 2.83Å; G464-Q466 VanDerWaalsContact C-N 3.33Å; G464-Q466 PolarHBondContact O-N 2.91Å; Q466-R470 PolarHBondContact O-NE 3.45Å; Q466-A531 HydrophobicContact CG-CB 4.42Å |
| 467 | M | 81.4 | Confident | 77.8 | Confident | 111 Ų | 111 | 79.7 Ų | 79.7 | 55% | 0.547 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -76.8 | -50.6 | 172.7 | -169.5 | 176 | -65.2 | 0 | 0 | 109.8 | E463 G464 A465 L469 R470 E471 | E463-M467 WeakPolarHBondContact O-CB 3.46Å; E463-M467 PolarHBondContact O-N 3.33Å; G464-M467 PolarHBondContact O-N 2.95Å; G464-M467 VanDerWaalsContact O-N 3.16Å; A465-M467 VanDerWaalsContact C-N 3.34Å; M467-L469 VanDerWaalsContact C-N 3.25Å; M467-L469 PolarHBondContact O-N 2.89Å; M467-R470 PolarHBondContact O-N 3.15Å; M467-E471 WeakPolarHBondContact O-CG 3.32Å; M467-E471 PolarHBondContact O-N 2.82Å |
| 468 | S | 83.8 | Confident | 79.2 | Confident | 14 Ų | 14 | 76.2 Ų | 76.2 | 10% | 0.098 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.3 | -25.9 | 176.4 | -66.5 | 0 | 0 | 0 | 0 | 114.4 | Q454 G464 I472 | Q454-S468 PolarHBondContact NE2-O 2.87Å; G464-S468 PolarHBondContact O-N 3.35Å; G464-S468 PolarHBondContact O-OG 2.84Å; S468-I472 WeakPolarHBondContact O-CD1 3.2Å; S468-I472 VanDerWaalsContact O-CG1 3.3Å; S468-I472 WeakPolarHBondContact O-CG1 3.48Å; S468-I472 PolarHBondContact O-N 2.89Å |
| 469 | L | 83.8 | Confident | 80.4 | Confident | 15 Ų | 15 | 70.9 Ų | 70.9 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.8 | -47.3 | 169.5 | -80.5 | 166.9 | 0 | 0 | 0 | 112 | A465 M467 E471 I472 E473 Q524 L527 R528 | A465-L469 WeakPolarHBondContact O-CG 3.27Å; A465-L469 PolarHBondContact O-N 2.86Å; M467-L469 VanDerWaalsContact C-N 3.25Å; M467-L469 PolarHBondContact O-N 2.89Å; L469-E471 VanDerWaalsContact C-N 3.31Å; L469-E471 PolarHBondContact O-N 2.75Å; L469-I472 PolarHBondContact O-N 2.8Å; L469-I472 VanDerWaalsContact O-N 3.12Å; L469-E473 WeakPolarHBondContact O-CG 3.3Å; L469-E473 PolarHBondContact O-N 2.81Å; L469-Q524 HydrophobicContact CD2-CB 4.11Å; L469-Q524 HydrophobicContact CD2-CG 4.07Å; L469-L527 HydrophobicContact CD1-CB 4.11Å; L469-L527 HydrophobicContact CD2-CB 3.92Å; L469-L527 HydrophobicContact CD2-CD1 4.24Å; L469-L527 HydrophobicContact CG-CB 3.76Å; L469-L527 HydrophobicContact CG-CD1 4.15Å; L469-R528 HydrophobicContact CD1-CG 3.92Å; L469-R528 HydrophobicContact CD2-CG 4.15Å |
| 470 | R | 84.9 | Confident | 81.7 | Confident | 156 Ų | 156 | 72 Ų | 72 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.2 | -32 | 179.2 | -79.7 | 179 | -78.2 | 173.7 | -8.8 | 113.2 | Q466 M467 K474 | Q466-R470 PolarHBondContact O-NE 3.45Å; M467-R470 PolarHBondContact O-N 3.15Å; R470-K474 WeakPolarHBondContact O-CB 3.33Å; R470-K474 PolarHBondContact O-N 3.33Å |
| 471 | E | 86.5 | Confident | 82.4 | Confident | 94 Ų | 94 | 70.1 Ų | 70.1 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 171 | -71 | 172.3 | 157.7 | 0 | 0 | 111.8 | M467 L469 F475 | M467-E471 WeakPolarHBondContact O-CG 3.32Å; M467-E471 PolarHBondContact O-N 2.82Å; L469-E471 VanDerWaalsContact C-N 3.31Å; L469-E471 PolarHBondContact O-N 2.75Å; E471-F475 WeakPolarHBondContact O-CB 3.44Å; E471-F475 PolarHBondContact O-N 2.55Å |
| 472 | I | 88.2 | Confident | 82.9 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69 | -41.2 | 176.7 | -67.7 | 168 | 0 | 0 | 0 | 111.1 | L450 L451 S468 L469 F475 L476 I520 R523 Q524 L527 | L450-I472 HydrophobicContact CD2-CG1 3.84Å; L451-I472 HydrophobicContact CD2-CD1 4.16Å; S468-I472 WeakPolarHBondContact O-CD1 3.2Å; S468-I472 VanDerWaalsContact O-CG1 3.3Å; S468-I472 WeakPolarHBondContact O-CG1 3.48Å; S468-I472 PolarHBondContact O-N 2.89Å; L469-I472 PolarHBondContact O-N 2.8Å; L469-I472 VanDerWaalsContact O-N 3.12Å; I472-F475 PolarHBondContact O-N 2.69Å; I472-L476 HydrophobicContact CG2-CD1 4.12Å; I472-L476 WeakPolarHBondContact O-CG 3.46Å; I472-L476 PolarHBondContact O-N 2.66Å; I472-I520 HydrophobicContact CG2-CG2 3.59Å; I472-R523 HydrophobicContact CD1-CB 4.49Å; I472-R523 HydrophobicContact CD1-CG 3.95Å; I472-Q524 HydrophobicContact CD1-CG 4.43Å; I472-Q524 HydrophobicContact CG2-CG 3.91Å; I472-L527 HydrophobicContact CD1-CD1 3.96Å |
| 473 | E | 87.9 | Confident | 83.1 | Confident | 79 Ų | 79 | 64 Ų | 64 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 179.1 | -73.5 | 158.4 | 177.5 | 0 | 0 | 110.6 | L469 F475 L476 E477 R528 | L469-E473 WeakPolarHBondContact O-CG 3.3Å; L469-E473 PolarHBondContact O-N 2.81Å; E473-F475 VanDerWaalsContact C-N 3.3Å; E473-F475 PolarHBondContact O-N 2.77Å; E473-L476 PolarHBondContact O-N 2.92Å; E473-E477 PolarHBondContact O-N 2.81Å; E473-R528 IonicContact OE1-NH2 2.69Å |
| 474 | K | 88.6 | Confident | 83 | Confident | 155 Ų | 155 | 63.1 Ų | 63.1 | 67% | 0.674 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.4 | -32.3 | 172.6 | -173.9 | -177.7 | 176.3 | -171.1 | 0 | 113.5 | R470 | R470-K474 WeakPolarHBondContact O-CB 3.33Å; R470-K474 PolarHBondContact O-N 3.33Å |
| 475 | F | 89.3 | Confident | 82.7 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.7 | -36.5 | 176.4 | 176.6 | -97.4 | 0 | 0 | 0 | 112.3 | W443 D446 L450 E471 I472 E473 E477 G478 I520 | W443-F475 AromaticContact CD1-CZ 3.75Å; W443-F475 HydrophobicContact CD2-CE1 4.05Å; W443-F475 AromaticContact CD2-CZ 3.82Å; W443-F475 HydrophobicContact CD2-CZ 3.82Å; W443-F475 AromaticContact CE2-CE1 3.38Å; W443-F475 AromaticContact CE2-CZ 3.47Å; W443-F475 VanDerWaalsContact CE2-CZ 3.47Å; W443-F475 HydrophobicContact CG-CZ 4.01Å; W443-F475 AromaticContact CH2-CE1 3.94Å; W443-F475 HydrophobicContact CH2-CE1 3.94Å; W443-F475 AromaticContact CZ2-CD1 3.94Å; W443-F475 HydrophobicContact CZ2-CD1 3.94Å; W443-F475 AromaticContact CZ2-CE1 3.34Å; W443-F475 HydrophobicContact CZ2-CE1 3.34Å; W443-F475 AromaticContact CZ2-CZ 3.96Å; W443-F475 HydrophobicContact CZ2-CZ 3.96Å; W443-F475 HydrophobicContact CZ3-CE1 4.48Å; W443-F475 AromaticContact NE1-CE1 3.64Å; W443-F475 AromaticContact NE1-CE2 3.86Å; W443-F475 AromaticContact NE1-CZ 3.39Å; W443-F475 PolarHBondContact NE1-O 3.35Å; W443-F475 WeakPolarHBondContact O-CZ 3.38Å; D446-F475 HydrophobicContact CB-CE2 4.03Å; D446-F475 HydrophobicContact CB-CZ 4.41Å; L450-F475 HydrophobicContact CD1-CB 3.83Å; L450-F475 HydrophobicContact CD1-CD2 3.93Å; L450-F475 HydrophobicContact CD1-CG 3.85Å; E471-F475 WeakPolarHBondContact O-CB 3.44Å; E471-F475 PolarHBondContact O-N 2.55Å; I472-F475 PolarHBondContact O-N 2.69Å; E473-F475 VanDerWaalsContact C-N 3.3Å; E473-F475 PolarHBondContact O-N 2.77Å; F475-E477 VanDerWaalsContact C-N 3.35Å; F475-G478 PolarHBondContact O-N 3.2Å; F475-I520 HydrophobicContact CD1-CD1 4.37Å; F475-I520 HydrophobicContact CE1-CD1 4.2Å |
| 476 | L | 87.3 | Confident | 82.4 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 31% | 0.314 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.9 | -30.7 | 175.5 | -70 | 166.5 | 0 | 0 | 0 | 112.6 | W443 I472 E473 G478 A479 I520 | W443-L476 HydrophobicContact CH2-CD2 4.2Å; W443-L476 HydrophobicContact CZ2-CD2 4.15Å; I472-L476 HydrophobicContact CG2-CD1 4.12Å; I472-L476 WeakPolarHBondContact O-CG 3.46Å; I472-L476 PolarHBondContact O-N 2.66Å; E473-L476 PolarHBondContact O-N 2.92Å; L476-G478 PolarHBondContact O-N 3.04Å; L476-A479 PolarHBondContact O-N 3.42Å; L476-I520 HydrophobicContact CD1-CG2 4.26Å; L476-I520 HydrophobicContact CD2-CD1 4.22Å; L476-I520 HydrophobicContact CD2-CG2 4.45Å |
| 477 | E | 85.8 | Confident | 82.3 | Confident | 162 Ų | 162 | 64.6 Ų | 64.6 | 76% | 0.757 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.5 | 171.2 | -67.4 | 172.2 | 166 | 0 | 0 | 113 | E473 F475 | E473-E477 PolarHBondContact O-N 2.81Å; F475-E477 VanDerWaalsContact C-N 3.35Å |
| 478 | G | 84.4 | Confident | 82.1 | Confident | 53 Ų | 53 | 64.9 Ų | 64.9 | 55% | 0.546 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 13.6 | -180 | 0 | 0 | 0 | 0 | 0 | 115.6 | F475 L476 | F475-G478 PolarHBondContact O-N 3.2Å; L476-G478 PolarHBondContact O-N 3.04Å |
| 479 | A | 84.3 | Confident | 82 | Confident | 39 Ų | 39 | 69.1 Ų | 69.1 | 32% | 0.322 | 38% | 0.379 | S | S | . | . | trans | -70.2 | 131.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | W443 L476 S481 | W443-A479 HydrophobicContact CZ2-CB 3.89Å; L476-A479 PolarHBondContact O-N 3.42Å; A479-S481 PolarHBondContact O-N 2.83Å | ||
| 480 | P | 84.8 | Confident | 81.9 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 16% | 0.156 | 38% | 0.376 | C | S | . | . | trans | -54 | 133.8 | 171.6 | -29.4 | 35.2 | 0 | 0 | 0 | 113.3 | W443 M482 L483 | W443-P480 HydrophobicContact CB-CG 4.16Å; W443-P480 HydrophobicContact CG-CG 4.44Å; P480-M482 PolarHBondContact O-N 3.01Å; P480-M482 VanDerWaalsContact O-N 3.12Å; P480-L483 HydrophobicContact CB-CD1 4.47Å; P480-L483 HydrophobicContact CG-CD1 4.42Å; P480-L483 WeakPolarHBondContact O-CB 3.42Å; P480-L483 PolarHBondContact O-N 2.83Å | ||
| 481 | S | 78.8 | Confident | 81.6 | Confident | 95 Ų | 95 | 62.4 Ų | 62.4 | 66% | 0.664 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -36.1 | -177.3 | 50.4 | 0 | 0 | 0 | 0 | 113.9 | A479 L483 S484 S485 | A479-S481 PolarHBondContact O-N 2.83Å; S481-L483 PolarHBondContact O-N 3.37Å; S481-L483 VanDerWaalsContact O-N 3.15Å; S481-S484 WeakPolarHBondContact O-CB 3.37Å; S481-S484 PolarHBondContact O-N 3.29Å; S481-S485 PolarHBondContact O-N 3.31Å |
| 482 | M | 78.6 | Confident | 81.4 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.069 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -46.8 | -38.9 | 173.1 | -63.8 | -79.7 | -62.2 | 0 | 0 | 113.7 | L433 C436 P480 S484 S485 L490 | L433-M482 HydrophobicContact CD1-CE 4.48Å; C436-M482 HydrophobicContact CB-CE 3.56Å; C436-M482 HydrophobicContact CB-CG 3.78Å; C436-M482 HydrophobicContact CB-SD 3.63Å; P480-M482 PolarHBondContact O-N 3.01Å; P480-M482 VanDerWaalsContact O-N 3.12Å; M482-S484 VanDerWaalsContact C-N 3.25Å; M482-S484 PolarHBondContact O-N 3.47Å; M482-S485 PolarHBondContact O-N 3.47Å; M482-L490 HydrophobicContact CB-CD1 4.49Å; M482-L490 HydrophobicContact CE-CD1 3.73Å; M482-L490 HydrophobicContact CE-CD2 3.45Å; M482-L490 VanDerWaalsContact CE-CD2 3.45Å; M482-L490 HydrophobicContact CE-CG 4.2Å; M482-L490 HydrophobicContact SD-CD2 3.66Å |
| 483 | L | 78.6 | Confident | 81.2 | Confident | 15 Ų | 15 | 69.2 Ų | 69.2 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.8 | -24.1 | -177.5 | -64.7 | 174.1 | 0 | 0 | 0 | 112.3 | A440 W443 P480 S481 M509 H513 | A440-L483 HydrophobicContact CB-CD2 3.94Å; A440-L483 HydrophobicContact CB-CG 4.27Å; W443-L483 HydrophobicContact CD2-CD1 4.11Å; W443-L483 HydrophobicContact CE3-CD1 3.72Å; W443-L483 HydrophobicContact CZ3-CD1 4.15Å; P480-L483 HydrophobicContact CB-CD1 4.47Å; P480-L483 HydrophobicContact CG-CD1 4.42Å; P480-L483 WeakPolarHBondContact O-CB 3.42Å; P480-L483 PolarHBondContact O-N 2.83Å; S481-L483 PolarHBondContact O-N 3.37Å; S481-L483 VanDerWaalsContact O-N 3.15Å; L483-M509 HydrophobicContact CD2-CE 3.98Å; L483-M509 HydrophobicContact CD2-SD 3.72Å; L483-H513 HydrophobicContact CD2-CB 4.16Å |
| 484 | S | 72.6 | Confident | 81.1 | Confident | 109 Ų | 109 | 66.7 Ų | 66.7 | 76% | 0.762 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -81.3 | -24 | 175.5 | -56.8 | 0 | 0 | 0 | 0 | 113 | S481 M482 | S481-S484 WeakPolarHBondContact O-CB 3.37Å; S481-S484 PolarHBondContact O-N 3.29Å; M482-S484 VanDerWaalsContact C-N 3.25Å; M482-S484 PolarHBondContact O-N 3.47Å |
| 485 | S | 70.1 | Confident | 80.9 | Confident | 44 Ų | 44 | 66.4 Ų | 66.4 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -71.8 | -27.8 | 180 | -55.6 | 0 | 0 | 0 | 0 | 113.3 | S481 M482 I489 | S481-S485 PolarHBondContact O-N 3.31Å; M482-S485 PolarHBondContact O-N 3.47Å; S485-I489 WeakPolarHBondContact O-CB 3.29Å; S485-I489 WeakPolarHBondContact O-CD1 3.26Å |
| 486 | G | 71.3 | Confident | 80.6 | Confident | 25 Ų | 25 | 68.6 Ų | 68.6 | 26% | 0.258 | 41% | 0.406 | S | S | . | . | trans | 76.4 | 168.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 487 | H | 77.8 | Confident | 80.5 | Confident | 58 Ų | 58 | 65.9 Ų | 65.9 | 27% | 0.269 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.6 | -50.8 | -171.7 | -175.4 | 84.2 | 0 | 0 | 0 | 112.8 | I489 L490 A491 F510 | H487-I489 PolarHBondContact O-N 3.05Å; H487-L490 PolarHBondContact O-N 3.27Å; H487-A491 PolarHBondContact O-N 3.17Å; H487-F510 HydrophobicContact CB-CD2 4.16Å; H487-F510 HydrophobicContact CB-CE2 4.39Å; H487-F510 HydrophobicContact CB-CG 4.35Å; H487-F510 AromaticContact ND1-CD2 3.84Å |
| 488 | D | 77.3 | Confident | 80.5 | Confident | 116 Ų | 116 | 60 Ų | 60 | 62% | 0.62 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -69 | -34.4 | -169.5 | -50.4 | -43.3 | 0 | 0 | 0 | 112.8 | A491 I492 | D488-A491 PolarHBondContact O-N 2.66Å; D488-I492 WeakPolarHBondContact O-CD1 3.35Å; D488-I492 WeakPolarHBondContact O-CG1 3.47Å; D488-I492 PolarHBondContact O-N 3.23Å; D488-I492 VanDerWaalsContact O-N 3.13Å |
| 489 | I | 82.1 | Confident | 80.5 | Confident | 103 Ų | 103 | 58.9 Ų | 58.9 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.4 | -40 | 178.2 | -61.1 | -171.8 | 0 | 0 | 0 | 110.5 | S485 H487 A491 I492 E493 | S485-I489 WeakPolarHBondContact O-CB 3.29Å; S485-I489 WeakPolarHBondContact O-CD1 3.26Å; H487-I489 PolarHBondContact O-N 3.05Å; I489-A491 VanDerWaalsContact C-N 3.34Å; I489-I492 PolarHBondContact O-N 3.44Å; I489-E493 WeakPolarHBondContact O-CB 3.44Å; I489-E493 PolarHBondContact O-N 3.29Å |
| 490 | L | 80.5 | Confident | 80.5 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.8 | -32.3 | 175 | -68.4 | 170.4 | 0 | 0 | 0 | 112.5 | M482 H487 I492 E493 Y494 F510 | M482-L490 HydrophobicContact CB-CD1 4.49Å; M482-L490 HydrophobicContact CE-CD1 3.73Å; M482-L490 HydrophobicContact CE-CD2 3.45Å; M482-L490 VanDerWaalsContact CE-CD2 3.45Å; M482-L490 HydrophobicContact CE-CG 4.2Å; M482-L490 HydrophobicContact SD-CD2 3.66Å; H487-L490 PolarHBondContact O-N 3.27Å; L490-I492 VanDerWaalsContact C-N 3.25Å; L490-I492 PolarHBondContact O-N 3.14Å; L490-E493 PolarHBondContact O-N 3.47Å; L490-Y494 HydrophobicContact CD2-CE2 4.26Å; L490-Y494 PolarHBondContact O-N 3.23Å; L490-Y494 VanDerWaalsContact O-N 3.16Å; L490-F510 HydrophobicContact CD1-CE2 3.66Å; L490-F510 HydrophobicContact CD1-CZ 3.67Å |
| 491 | A | 78.7 | Confident | 80.4 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 24% | 0.24 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.4 | -31.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | H487 D488 I489 E495 I498 | H487-A491 PolarHBondContact O-N 3.17Å; D488-A491 PolarHBondContact O-N 2.66Å; I489-A491 VanDerWaalsContact C-N 3.34Å; A491-E495 PolarHBondContact O-N 3.26Å; A491-I498 HydrophobicContact CB-CD1 4.44Å; A491-I498 WeakPolarHBondContact O-CD1 3.49Å |
| 492 | I | 82.5 | Confident | 80.7 | Confident | 120 Ų | 120 | 61.7 Ų | 61.7 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -80.9 | -45.2 | 174.4 | -65.3 | 162.5 | 0 | 0 | 0 | 111.1 | D488 I489 L490 Y494 E495 | D488-I492 WeakPolarHBondContact O-CD1 3.35Å; D488-I492 WeakPolarHBondContact O-CG1 3.47Å; D488-I492 PolarHBondContact O-N 3.23Å; D488-I492 VanDerWaalsContact O-N 3.13Å; I489-I492 PolarHBondContact O-N 3.44Å; L490-I492 VanDerWaalsContact C-N 3.25Å; L490-I492 PolarHBondContact O-N 3.14Å; I492-Y494 PolarHBondContact O-N 3.04Å; I492-E495 WeakPolarHBondContact O-CB 3.34Å; I492-E495 PolarHBondContact O-N 3Å |
| 493 | E | 83.8 | Confident | 81.1 | Confident | 118 Ų | 118 | 65.9 Ų | 65.9 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.2 | -33.3 | -177.8 | -173.1 | 179.4 | -174.6 | 0 | 0 | 112.7 | I489 L490 | I489-E493 WeakPolarHBondContact O-CB 3.44Å; I489-E493 PolarHBondContact O-N 3.29Å; L490-E493 PolarHBondContact O-N 3.47Å |
| 494 | Y | 86 | Confident | 81.5 | Confident | 25 Ų | 25 | 69 Ų | 69 | 10% | 0.098 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 18.1 | -179.1 | -66.1 | -92.7 | 0 | 0 | 0 | 113.6 | L433 L490 I492 A496 V497 I498 | L433-Y494 HydrophobicContact CB-CD1 3.78Å; L433-Y494 HydrophobicContact CB-CE1 3.91Å; L433-Y494 HydrophobicContact CB-CG 4.35Å; L433-Y494 HydrophobicContact CD1-CD1 4.35Å; L433-Y494 HydrophobicContact CD1-CD2 4.13Å; L433-Y494 HydrophobicContact CD1-CE2 4.48Å; L433-Y494 HydrophobicContact CD1-CG 4.08Å; L433-Y494 HydrophobicContact CD2-CD1 4.33Å; L433-Y494 HydrophobicContact CD2-CG 4.27Å; L433-Y494 HydrophobicContact CG-CD1 4.37Å; L433-Y494 HydrophobicContact CG-CG 4.46Å; L490-Y494 HydrophobicContact CD2-CE2 4.26Å; L490-Y494 PolarHBondContact O-N 3.23Å; L490-Y494 VanDerWaalsContact O-N 3.16Å; I492-Y494 PolarHBondContact O-N 3.04Å; Y494-A496 PolarHBondContact O-N 3.22Å; Y494-V497 HydrophobicContact CD1-CG2 4.06Å; Y494-V497 WeakPolarHBondContact O-CG2 3.35Å; Y494-V497 PolarHBondContact O-N 3.24Å; Y494-I498 WeakPolarHBondContact O-CG1 3.25Å; Y494-I498 PolarHBondContact O-N 2.87Å |
| 495 | E | 85.1 | Confident | 82.1 | Confident | 150 Ų | 150 | 67.1 Ų | 67.1 | 70% | 0.701 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -48.8 | -40.2 | -176 | -175.7 | 177.2 | -163.4 | 0 | 0 | 112.9 | A491 I492 V497 | A491-E495 PolarHBondContact O-N 3.26Å; I492-E495 WeakPolarHBondContact O-CB 3.34Å; I492-E495 PolarHBondContact O-N 3Å; E495-V497 PolarHBondContact O-N 2.92Å |
| 496 | A | 82.4 | Confident | 82.9 | Confident | 79 Ų | 79 | 65.1 Ų | 65.1 | 65% | 0.653 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -65.9 | -15.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F426 Y494 | F426-A496 WeakPolarHBondContact CE2-O 3.39Å; Y494-A496 PolarHBondContact O-N 3.22Å |
| 497 | V | 86 | Confident | 83.6 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -124.1 | -4 | -178.5 | -62.4 | 0 | 0 | 0 | 0 | 114.5 | F426 Q429 L433 Y494 E495 T499 L502 | F426-V497 HydrophobicContact CB-CG1 4.49Å; F426-V497 HydrophobicContact CD1-CG1 4.31Å; F426-V497 HydrophobicContact CD2-CB 4.46Å; F426-V497 HydrophobicContact CD2-CG1 3.74Å; F426-V497 HydrophobicContact CE1-CG1 4.48Å; F426-V497 HydrophobicContact CE2-CB 4.16Å; F426-V497 HydrophobicContact CE2-CG1 3.93Å; F426-V497 HydrophobicContact CG-CG1 3.93Å; F426-V497 HydrophobicContact CZ-CB 4.21Å; F426-V497 HydrophobicContact CZ-CG1 4.3Å; Q429-V497 HydrophobicContact CB-CG1 3.69Å; Q429-V497 HydrophobicContact CB-CG2 4.2Å; L433-V497 HydrophobicContact CD2-CG2 4.43Å; Y494-V497 HydrophobicContact CD1-CG2 4.06Å; Y494-V497 WeakPolarHBondContact O-CG2 3.35Å; Y494-V497 PolarHBondContact O-N 3.24Å; E495-V497 PolarHBondContact O-N 2.92Å; V497-T499 PolarHBondContact O-N 3.06Å; V497-T499 VanDerWaalsContact O-N 3.11Å; V497-L502 WeakPolarHBondContact O-CD1 3.41Å |
| 498 | I | 83.9 | Confident | 84.1 | Confident | 39 Ų | 39 | 66.8 Ų | 66.8 | 20% | 0.2 | 36% | 0.364 | C | S | . | . | trans | -72.6 | 109.3 | -176.7 | -76.7 | 163.4 | 0 | 0 | 0 | 111.1 | L433 A491 Y494 Q503 I506 | L433-I498 HydrophobicContact CD2-CG1 4.38Å; A491-I498 HydrophobicContact CB-CD1 4.44Å; A491-I498 WeakPolarHBondContact O-CD1 3.49Å; Y494-I498 WeakPolarHBondContact O-CG1 3.25Å; Y494-I498 PolarHBondContact O-N 2.87Å; I498-Q503 HydrophobicContact CG2-CB 3.87Å; I498-Q503 HydrophobicContact CG2-CG 4.31Å; I498-I506 HydrophobicContact CD1-CD1 4.3Å; I498-I506 HydrophobicContact CG1-CD1 4.31Å | ||
| 499 | T | 85.1 | Confident | 84.7 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 18% | 0.184 | 34% | 0.336 | C | S | . | . | trans | -83.9 | 158 | 164 | 73 | 0 | 0 | 0 | 0 | 110 | V497 Q501 L502 Q503 | V497-T499 PolarHBondContact O-N 3.06Å; V497-T499 VanDerWaalsContact O-N 3.11Å; T499-Q501 PolarHBondContact O-N 3.46Å; T499-Q501 VanDerWaalsContact O-N 3.09Å; T499-Q501 PolarHBondContact OG1-N 3.25Å; T499-L502 HydrophobicContact CG2-CD1 4.21Å; T499-L502 PolarHBondContact O-N 3.46Å; T499-L502 VanDerWaalsContact O-N 3.1Å; T499-L502 WeakPolarHBondContact OG1-CG 3.41Å; T499-L502 PolarHBondContact OG1-N 2.91Å; T499-L502 VanDerWaalsContact OG1-N 3.08Å; T499-Q503 PolarHBondContact O-N 3.49Å | ||
| 500 | P | 84.1 | Confident | 85 | Confident | 98 Ų | 98 | 58.2 Ų | 58.2 | 64% | 0.636 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -57.6 | -26.6 | 174.1 | -26 | 35.3 | 0 | 0 | 0 | 113.6 | T504 | P500-T504 PolarHBondContact O-N 2.94Å; P500-T504 VanDerWaalsContact O-N 3.09Å; P500-T504 PolarHBondContact O-OG1 2.96Å |
| 501 | Q | 83.1 | Confident | 85.4 | Confident | 117 Ų | 117 | 64.9 Ų | 64.9 | 55% | 0.547 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -75.4 | -43.3 | 177.4 | -70 | 169.7 | -39.9 | 0 | 0 | 111.2 | N355 T499 T504 Q505 | N355-Q501 PolarHBondContact ND2-OE1 3.42Å; N355-Q501 WeakPolarHBondContact OD1-CB 3.21Å; N355-Q501 PolarHBondContact OD1-OE1 2.91Å; T499-Q501 PolarHBondContact O-N 3.46Å; T499-Q501 VanDerWaalsContact O-N 3.09Å; T499-Q501 PolarHBondContact OG1-N 3.25Å; Q501-T504 PolarHBondContact O-N 3.04Å; Q501-Q505 WeakPolarHBondContact O-CG 3.33Å; Q501-Q505 PolarHBondContact O-N 3.2Å |
| 502 | L | 85.4 | Confident | 85.8 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 170.5 | -71.6 | 168.1 | 0 | 0 | 0 | 111.5 | T430 L433 L434 V497 T499 T504 Q505 I506 | T430-L502 HydrophobicContact CG2-CD1 4.07Å; L433-L502 HydrophobicContact CD2-CD1 4.43Å; L434-L502 HydrophobicContact CD2-CD2 3.69Å; L434-L502 HydrophobicContact CG-CD2 4.06Å; V497-L502 WeakPolarHBondContact O-CD1 3.41Å; T499-L502 HydrophobicContact CG2-CD1 4.21Å; T499-L502 PolarHBondContact O-N 3.46Å; T499-L502 VanDerWaalsContact O-N 3.1Å; T499-L502 WeakPolarHBondContact OG1-CG 3.41Å; T499-L502 PolarHBondContact OG1-N 2.91Å; T499-L502 VanDerWaalsContact OG1-N 3.08Å; L502-T504 VanDerWaalsContact C-N 3.26Å; L502-T504 PolarHBondContact O-N 2.78Å; L502-Q505 WeakPolarHBondContact O-CA 3.26Å; L502-Q505 WeakPolarHBondContact O-CB 3.46Å; L502-Q505 PolarHBondContact O-N 3.5Å; L502-I506 VanDerWaalsContact O-CG1 3.31Å; L502-I506 WeakPolarHBondContact O-CG1 3.4Å; L502-I506 PolarHBondContact O-N 2.9Å |
| 503 | Q | 86.9 | Confident | 86.1 | Confident | 102 Ų | 102 | 60.9 Ų | 60.9 | 48% | 0.477 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.8 | -41.1 | 175.9 | -162.6 | 176.1 | 19.1 | 0 | 0 | 112 | I498 T499 I506 G507 | I498-Q503 HydrophobicContact CG2-CB 3.87Å; I498-Q503 HydrophobicContact CG2-CG 4.31Å; T499-Q503 PolarHBondContact O-N 3.49Å; Q503-I506 PolarHBondContact O-N 3.05Å; Q503-G507 PolarHBondContact O-N 3.33Å |
| 504 | T | 86.3 | Confident | 86.4 | Confident | 80 Ų | 80 | 57.9 Ų | 57.9 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 174.1 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | P500 Q501 L502 G507 N508 | P500-T504 PolarHBondContact O-N 2.94Å; P500-T504 VanDerWaalsContact O-N 3.09Å; P500-T504 PolarHBondContact O-OG1 2.96Å; Q501-T504 PolarHBondContact O-N 3.04Å; L502-T504 VanDerWaalsContact C-N 3.26Å; L502-T504 PolarHBondContact O-N 2.78Å; T504-G507 PolarHBondContact O-N 3.27Å; T504-N508 WeakPolarHBondContact O-CB 3.48Å; T504-N508 PolarHBondContact O-N 3.45Å; T504-N508 PolarHBondContact O-ND2 3.23Å; T504-N508 PolarHBondContact O-OD1 3.5Å |
| 505 | Q | 85.4 | Confident | 86.6 | Confident | 70 Ų | 70 | 59.2 Ų | 59.2 | 33% | 0.327 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 174.6 | -69.4 | -179 | 12.8 | 0 | 0 | 112.2 | N355 Q501 L502 N508 M509 | N355-Q505 PolarHBondContact O-NE2 3.4Å; Q501-Q505 WeakPolarHBondContact O-CG 3.33Å; Q501-Q505 PolarHBondContact O-N 3.2Å; L502-Q505 WeakPolarHBondContact O-CA 3.26Å; L502-Q505 WeakPolarHBondContact O-CB 3.46Å; L502-Q505 PolarHBondContact O-N 3.5Å; Q505-N508 PolarHBondContact O-N 3.09Å; Q505-M509 WeakPolarHBondContact O-CB 3.24Å; Q505-M509 PolarHBondContact O-N 2.59Å |
| 506 | I | 87.3 | Confident | 86.8 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 176.3 | -60.5 | 162.1 | 0 | 0 | 0 | 109.8 | L433 L437 I498 L502 Q503 M509 F510 | L433-I506 HydrophobicContact CD1-CD1 4.32Å; L433-I506 HydrophobicContact CD2-CD1 4.34Å; L437-I506 HydrophobicContact CD1-CG1 3.9Å; L437-I506 HydrophobicContact CD2-CB 4.45Å; L437-I506 HydrophobicContact CD2-CG1 4.04Å; I498-I506 HydrophobicContact CD1-CD1 4.3Å; I498-I506 HydrophobicContact CG1-CD1 4.31Å; L502-I506 VanDerWaalsContact O-CG1 3.31Å; L502-I506 WeakPolarHBondContact O-CG1 3.4Å; L502-I506 PolarHBondContact O-N 2.9Å; Q503-I506 PolarHBondContact O-N 3.05Å; I506-M509 PolarHBondContact O-N 3.45Å; I506-F510 HydrophobicContact CG2-CD2 3.85Å; I506-F510 HydrophobicContact CG2-CE2 3.99Å; I506-F510 WeakPolarHBondContact O-CD2 3.38Å; I506-F510 PolarHBondContact O-N 3.1Å |
| 507 | G | 86.9 | Confident | 87.1 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.2 | -54.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q503 T504 M509 F510 E511 | Q503-G507 PolarHBondContact O-N 3.33Å; T504-G507 PolarHBondContact O-N 3.27Å; G507-M509 VanDerWaalsContact C-N 3.25Å; G507-M509 PolarHBondContact O-N 2.91Å; G507-F510 PolarHBondContact O-N 3.37Å; G507-F510 VanDerWaalsContact O-N 3.09Å; G507-E511 PolarHBondContact O-N 2.94Å |
| 508 | N | 87.2 | Confident | 87.2 | Confident | 98 Ų | 98 | 56.4 Ų | 56.4 | 52% | 0.524 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.6 | -36.6 | 178.8 | -67.5 | -11.4 | 0 | 0 | 0 | 112.8 | T504 Q505 K512 | T504-N508 WeakPolarHBondContact O-CB 3.48Å; T504-N508 PolarHBondContact O-N 3.45Å; T504-N508 PolarHBondContact O-ND2 3.23Å; T504-N508 PolarHBondContact O-OD1 3.5Å; Q505-N508 PolarHBondContact O-N 3.09Å; N508-K512 WeakPolarHBondContact O-CB 3.29Å; N508-K512 PolarHBondContact O-N 3.28Å |
| 509 | M | 89.4 | Confident | 87.5 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 4% | 0.044 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 176.1 | -171.8 | -70 | -63.7 | 0 | 0 | 110.9 | L437 A440 L483 Q505 I506 G507 E511 K512 H513 | L437-M509 HydrophobicContact CD2-CB 4.15Å; L437-M509 HydrophobicContact CD2-CE 4.03Å; L437-M509 HydrophobicContact CD2-CG 4.14Å; A440-M509 HydrophobicContact CB-CE 4.14Å; A440-M509 HydrophobicContact CB-CG 4.2Å; A440-M509 HydrophobicContact CB-SD 3.61Å; L483-M509 HydrophobicContact CD2-CE 3.98Å; L483-M509 HydrophobicContact CD2-SD 3.72Å; Q505-M509 WeakPolarHBondContact O-CB 3.24Å; Q505-M509 PolarHBondContact O-N 2.59Å; I506-M509 PolarHBondContact O-N 3.45Å; G507-M509 VanDerWaalsContact C-N 3.25Å; G507-M509 PolarHBondContact O-N 2.91Å; M509-E511 PolarHBondContact O-N 3.4Å; M509-K512 PolarHBondContact O-N 2.97Å; M509-H513 WeakPolarHBondContact O-CB 3.38Å; M509-H513 PolarHBondContact O-N 2.82Å; M509-H513 HydrophobicContact SD-CB 4.44Å |
| 510 | F | 88.9 | Confident | 87.6 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 13% | 0.132 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.4 | -35.2 | 177.3 | -89.1 | -76 | 0 | 0 | 0 | 113.4 | H487 L490 I506 G507 H513 A514 | H487-F510 HydrophobicContact CB-CD2 4.16Å; H487-F510 HydrophobicContact CB-CE2 4.39Å; H487-F510 HydrophobicContact CB-CG 4.35Å; H487-F510 AromaticContact ND1-CD2 3.84Å; L490-F510 HydrophobicContact CD1-CE2 3.66Å; L490-F510 HydrophobicContact CD1-CZ 3.67Å; I506-F510 HydrophobicContact CG2-CD2 3.85Å; I506-F510 HydrophobicContact CG2-CE2 3.99Å; I506-F510 WeakPolarHBondContact O-CD2 3.38Å; I506-F510 PolarHBondContact O-N 3.1Å; G507-F510 PolarHBondContact O-N 3.37Å; G507-F510 VanDerWaalsContact O-N 3.09Å; F510-H513 PolarHBondContact O-N 2.94Å; F510-A514 WeakPolarHBondContact O-CB 3.49Å; F510-A514 PolarHBondContact O-N 2.87Å |
| 511 | E | 88.4 | Confident | 87.8 | Confident | 143 Ų | 143 | 57.9 Ų | 57.9 | 67% | 0.668 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.1 | -45.9 | 170.8 | -72.1 | -172.1 | 174.4 | 0 | 0 | 111.7 | G507 M509 H513 A514 A515 | G507-E511 PolarHBondContact O-N 2.94Å; M509-E511 PolarHBondContact O-N 3.4Å; E511-H513 PolarHBondContact O-N 3.45Å; E511-A514 PolarHBondContact O-N 3.03Å; E511-A515 PolarHBondContact O-N 2.91Å |
| 512 | K | 88.4 | Confident | 88.1 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 21% | 0.209 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 175.7 | -171 | -168.6 | -176.7 | -172.1 | 0 | 111.5 | C444 D445 N508 M509 A515 V516 | C444-K512 HydrophobicContact CB-CD 3.86Å; C444-K512 HydrophobicContact CB-CG 4.19Å; D445-K512 WeakPolarHBondContact OD1-CE 3.43Å; D445-K512 IonicContact OD1-NZ 3.69Å; D445-K512 PolarHBondContact OD1-NZ 2.84Å; D445-K512 IonicContact OD2-NZ 3.66Å; D445-K512 PolarHBondContact OD2-NZ 3.4Å; N508-K512 WeakPolarHBondContact O-CB 3.29Å; N508-K512 PolarHBondContact O-N 3.28Å; M509-K512 PolarHBondContact O-N 2.97Å; K512-A515 PolarHBondContact O-N 2.75Å; K512-V516 WeakPolarHBondContact O-CG2 3.42Å; K512-V516 PolarHBondContact O-N 3.09Å |
| 513 | H | 88.9 | Confident | 88.1 | Confident | 16 Ų | 16 | 58.9 Ų | 58.9 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.2 | -49.1 | 175.4 | 175.1 | -105.4 | 0 | 0 | 0 | 111.2 | W443 L483 M509 F510 E511 A515 V516 Q517 | W443-H513 AromaticContact CZ3-CD2 3.62Å; W443-H513 AromaticContact CZ3-NE2 3.81Å; L483-H513 HydrophobicContact CD2-CB 4.16Å; M509-H513 WeakPolarHBondContact O-CB 3.38Å; M509-H513 PolarHBondContact O-N 2.82Å; M509-H513 HydrophobicContact SD-CB 4.44Å; F510-H513 PolarHBondContact O-N 2.94Å; E511-H513 PolarHBondContact O-N 3.45Å; H513-A515 VanDerWaalsContact C-N 3.33Å; H513-A515 PolarHBondContact O-N 3.06Å; H513-V516 PolarHBondContact O-N 2.8Å; H513-Q517 PolarHBondContact CE1-OE1 3.09Å; H513-Q517 VanDerWaalsContact O-CB 3.26Å; H513-Q517 WeakPolarHBondContact O-CB 3.45Å; H513-Q517 PolarHBondContact O-N 2.76Å |
| 514 | A | 88.3 | Confident | 88.2 | Confident | 55 Ų | 55 | 55.1 Ų | 55.1 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F510 E511 Q517 Q518 | F510-A514 WeakPolarHBondContact O-CB 3.49Å; F510-A514 PolarHBondContact O-N 2.87Å; E511-A514 PolarHBondContact O-N 3.03Å; A514-Q517 PolarHBondContact O-N 3.4Å; A514-Q518 WeakPolarHBondContact O-CB 3.14Å; A514-Q518 PolarHBondContact O-N 3.17Å |
| 515 | A | 90.1 | Very high | 88.1 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 45% | 0.446 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E511 K512 H513 Q518 M519 | E511-A515 PolarHBondContact O-N 2.91Å; K512-A515 PolarHBondContact O-N 2.75Å; H513-A515 VanDerWaalsContact C-N 3.33Å; H513-A515 PolarHBondContact O-N 3.06Å; A515-Q518 PolarHBondContact O-N 3.43Å; A515-M519 WeakPolarHBondContact O-CG 3.49Å; A515-M519 PolarHBondContact O-N 2.81Å |
| 516 | V | 89.9 | Confident | 87.9 | Confident | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 176.7 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | C444 A448 K512 H513 Q518 M519 I520 | C444-V516 HydrophobicContact CB-CG2 4.26Å; A448-V516 HydrophobicContact CB-CG2 4.43Å; K512-V516 WeakPolarHBondContact O-CG2 3.42Å; K512-V516 PolarHBondContact O-N 3.09Å; H513-V516 PolarHBondContact O-N 2.8Å; V516-Q518 VanDerWaalsContact C-N 3.34Å; V516-Q518 PolarHBondContact O-N 3.49Å; V516-M519 WeakPolarHBondContact O-CB 3.32Å; V516-M519 PolarHBondContact O-N 3.21Å; V516-M519 VanDerWaalsContact O-N 3.13Å; V516-I520 HydrophobicContact CG1-CD1 4.13Å; V516-I520 HydrophobicContact CG1-CG1 4.47Å; V516-I520 WeakPolarHBondContact O-CG1 3.24Å; V516-I520 PolarHBondContact O-N 3.46Å |
| 517 | Q | 88.6 | Confident | 87.7 | Confident | 76 Ų | 76 | 51.9 Ų | 51.9 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 177.6 | -161.2 | 174.7 | 26.6 | 0 | 0 | 111.7 | H513 A514 I520 Q521 | H513-Q517 PolarHBondContact CE1-OE1 3.09Å; H513-Q517 VanDerWaalsContact O-CB 3.26Å; H513-Q517 WeakPolarHBondContact O-CB 3.45Å; H513-Q517 PolarHBondContact O-N 2.76Å; A514-Q517 PolarHBondContact O-N 3.4Å; Q517-I520 PolarHBondContact O-N 3.12Å; Q517-Q521 WeakPolarHBondContact O-CG 3.35Å; Q517-Q521 PolarHBondContact O-N 3.2Å |
| 518 | Q | 89.2 | Confident | 87.5 | Confident | 91 Ų | 91 | 56.6 Ų | 56.6 | 43% | 0.425 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 171.6 | -172.8 | 63 | 72.6 | 0 | 0 | 112.1 | A514 A515 V516 Q521 N522 | A514-Q518 WeakPolarHBondContact O-CB 3.14Å; A514-Q518 PolarHBondContact O-N 3.17Å; A515-Q518 PolarHBondContact O-N 3.43Å; V516-Q518 VanDerWaalsContact C-N 3.34Å; V516-Q518 PolarHBondContact O-N 3.49Å; Q518-Q521 PolarHBondContact O-N 3.1Å; Q518-N522 PolarHBondContact NE2-OD1 3.02Å; Q518-N522 VanDerWaalsContact O-CB 3.32Å; Q518-N522 WeakPolarHBondContact O-CB 3.48Å; Q518-N522 PolarHBondContact O-N 3.2Å; Q518-N522 PolarHBondContact O-ND2 3.11Å; Q518-N522 PolarHBondContact O-OD1 3.43Å |
| 519 | M | 88.8 | Confident | 87 | Confident | 95 Ų | 95 | 59.6 Ų | 59.6 | 47% | 0.468 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 172.6 | -69.2 | 172.3 | 56.7 | 0 | 0 | 111.6 | L451 A515 V516 N522 R523 | L451-M519 HydrophobicContact CD1-CB 3.64Å; L451-M519 HydrophobicContact CD1-CE 4.2Å; A515-M519 WeakPolarHBondContact O-CG 3.49Å; A515-M519 PolarHBondContact O-N 2.81Å; V516-M519 WeakPolarHBondContact O-CB 3.32Å; V516-M519 PolarHBondContact O-N 3.21Å; V516-M519 VanDerWaalsContact O-N 3.13Å; M519-N522 PolarHBondContact O-N 2.98Å; M519-R523 WeakPolarHBondContact O-CB 3.25Å; M519-R523 PolarHBondContact O-N 3.4Å |
| 520 | I | 88.6 | Confident | 86.1 | Confident | 5 Ų | 5 | 62.1 Ų | 62.1 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.6 | -50.1 | 173.7 | -70.4 | 173.5 | 0 | 0 | 0 | 110.4 | W443 L451 I472 F475 L476 V516 Q517 N522 R523 Q524 | W443-I520 HydrophobicContact CH2-CD1 4.28Å; L451-I520 HydrophobicContact CD1-CG1 3.82Å; L451-I520 HydrophobicContact CD2-CG1 4.47Å; L451-I520 HydrophobicContact CG-CG1 4.4Å; I472-I520 HydrophobicContact CG2-CG2 3.59Å; F475-I520 HydrophobicContact CD1-CD1 4.37Å; F475-I520 HydrophobicContact CE1-CD1 4.2Å; L476-I520 HydrophobicContact CD1-CG2 4.26Å; L476-I520 HydrophobicContact CD2-CD1 4.22Å; L476-I520 HydrophobicContact CD2-CG2 4.45Å; V516-I520 HydrophobicContact CG1-CD1 4.13Å; V516-I520 HydrophobicContact CG1-CG1 4.47Å; V516-I520 WeakPolarHBondContact O-CG1 3.24Å; V516-I520 PolarHBondContact O-N 3.46Å; Q517-I520 PolarHBondContact O-N 3.12Å; I520-N522 PolarHBondContact O-N 3.42Å; I520-R523 PolarHBondContact O-N 3.17Å; I520-Q524 HydrophobicContact CG2-CG 4.36Å; I520-Q524 WeakPolarHBondContact O-CB 3.48Å; I520-Q524 WeakPolarHBondContact O-CG 3.4Å; I520-Q524 PolarHBondContact O-N 3.39Å |
| 521 | Q | 88.8 | Confident | 85 | Confident | 97 Ų | 97 | 61.4 Ų | 61.4 | 45% | 0.453 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 177.9 | -72.3 | 176.1 | 22.2 | 0 | 0 | 111.9 | Q517 Q518 R523 Q524 A525 | Q517-Q521 WeakPolarHBondContact O-CG 3.35Å; Q517-Q521 PolarHBondContact O-N 3.2Å; Q518-Q521 PolarHBondContact O-N 3.1Å; Q521-R523 PolarHBondContact O-N 2.91Å; Q521-Q524 PolarHBondContact O-N 2.9Å; Q521-A525 WeakPolarHBondContact O-CB 3.43Å; Q521-A525 PolarHBondContact O-N 3.35Å |
| 522 | N | 88 | Confident | 84 | Confident | 95 Ų | 95 | 60.4 Ų | 60.4 | 51% | 0.508 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 177.2 | -71.4 | -14.1 | 0 | 0 | 0 | 111.5 | Q518 M519 I520 A525 S526 | Q518-N522 PolarHBondContact NE2-OD1 3.02Å; Q518-N522 VanDerWaalsContact O-CB 3.32Å; Q518-N522 WeakPolarHBondContact O-CB 3.48Å; Q518-N522 PolarHBondContact O-N 3.2Å; Q518-N522 PolarHBondContact O-ND2 3.11Å; Q518-N522 PolarHBondContact O-OD1 3.43Å; M519-N522 PolarHBondContact O-N 2.98Å; I520-N522 PolarHBondContact O-N 3.42Å; N522-A525 PolarHBondContact O-N 3.48Å; N522-S526 PolarHBondContact O-N 2.94Å |
| 523 | R | 86.5 | Confident | 82.3 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 17% | 0.166 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.8 | -48.9 | 176.8 | -174.4 | 63.2 | 173.4 | 158 | -3.6 | 111.2 | L451 Q454 S459 I472 M519 I520 Q521 A525 S526 L527 | L451-R523 HydrophobicContact CD2-CB 3.64Å; L451-R523 HydrophobicContact CD2-CG 3.65Å; Q454-R523 PolarHBondContact O-NH2 3.29Å; S459-R523 PolarHBondContact OG-NH2 3.37Å; I472-R523 HydrophobicContact CD1-CB 4.49Å; I472-R523 HydrophobicContact CD1-CG 3.95Å; M519-R523 WeakPolarHBondContact O-CB 3.25Å; M519-R523 PolarHBondContact O-N 3.4Å; I520-R523 PolarHBondContact O-N 3.17Å; Q521-R523 PolarHBondContact O-N 2.91Å; R523-A525 VanDerWaalsContact C-N 3.31Å; R523-A525 PolarHBondContact O-N 3.34Å; R523-S526 PolarHBondContact O-N 3.42Å; R523-S526 VanDerWaalsContact O-N 3.07Å; R523-S526 PolarHBondContact O-OG 2.92Å; R523-L527 HydrophobicContact CG-CD1 3.94Å; R523-L527 HydrophobicContact CG-CG 4.32Å; R523-L527 WeakPolarHBondContact O-CG 3.19Å; R523-L527 PolarHBondContact O-N 3.38Å |
| 524 | Q | 87.7 | Confident | 80.3 | Confident | 23 Ų | 23 | 75.2 Ų | 75.2 | 11% | 0.107 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -55.5 | -45 | 175 | -74.5 | -169.8 | -2.9 | 0 | 0 | 111.8 | L469 I472 I520 Q521 S526 L527 R528 | L469-Q524 HydrophobicContact CD2-CB 4.11Å; L469-Q524 HydrophobicContact CD2-CG 4.07Å; I472-Q524 HydrophobicContact CD1-CG 4.43Å; I472-Q524 HydrophobicContact CG2-CG 3.91Å; I520-Q524 HydrophobicContact CG2-CG 4.36Å; I520-Q524 WeakPolarHBondContact O-CB 3.48Å; I520-Q524 WeakPolarHBondContact O-CG 3.4Å; I520-Q524 PolarHBondContact O-N 3.39Å; Q521-Q524 PolarHBondContact O-N 2.9Å; Q524-S526 VanDerWaalsContact C-N 3.31Å; Q524-S526 PolarHBondContact O-N 3.34Å; Q524-L527 PolarHBondContact O-N 3.49Å; Q524-R528 WeakPolarHBondContact O-CB 3.47Å; Q524-R528 VanDerWaalsContact O-CG 3.31Å; Q524-R528 WeakPolarHBondContact O-CG 3.3Å; Q524-R528 PolarHBondContact O-N 2.73Å; Q524-R528 VanDerWaalsContact OE1-CZ 3.27Å |
| 525 | A | 84.5 | Confident | 78.2 | Confident | 43 Ų | 43 | 78.8 Ų | 78.8 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q521 N522 R523 K529 | Q521-A525 WeakPolarHBondContact O-CB 3.43Å; Q521-A525 PolarHBondContact O-N 3.35Å; N522-A525 PolarHBondContact O-N 3.48Å; R523-A525 VanDerWaalsContact C-N 3.31Å; R523-A525 PolarHBondContact O-N 3.34Å; A525-K529 WeakPolarHBondContact O-CB 3.44Å; A525-K529 WeakPolarHBondContact O-CD 3.11Å; A525-K529 VanDerWaalsContact O-CG 3.26Å; A525-K529 WeakPolarHBondContact O-CG 3.22Å; A525-K529 PolarHBondContact O-N 2.97Å |
| 526 | S | 82.4 | Confident | 75.4 | Confident | 43 Ų | 43 | 87.9 Ų | 87.9 | 30% | 0.301 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.7 | -43 | 173.7 | 77.5 | 0 | 0 | 0 | 0 | 112.7 | N522 R523 Q524 K529 L530 | N522-S526 PolarHBondContact O-N 2.94Å; R523-S526 PolarHBondContact O-N 3.42Å; R523-S526 VanDerWaalsContact O-N 3.07Å; R523-S526 PolarHBondContact O-OG 2.92Å; Q524-S526 VanDerWaalsContact C-N 3.31Å; Q524-S526 PolarHBondContact O-N 3.34Å; S526-K529 PolarHBondContact O-N 3.37Å; S526-L530 WeakPolarHBondContact O-CG 3.28Å; S526-L530 PolarHBondContact O-N 3.38Å |
| 527 | L | 81.5 | Confident | 73.1 | Confident | 0 Ų | 0 | 93.5 Ų | 93.5 | 0% | 0 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -69.5 | -39.9 | -179.1 | -68 | 172.4 | 0 | 0 | 0 | 111.9 | A465 L469 I472 R523 Q524 L530 A531 | A465-L527 HydrophobicContact CB-CD2 4.25Å; L469-L527 HydrophobicContact CD1-CB 4.11Å; L469-L527 HydrophobicContact CD2-CB 3.92Å; L469-L527 HydrophobicContact CD2-CD1 4.24Å; L469-L527 HydrophobicContact CG-CB 3.76Å; L469-L527 HydrophobicContact CG-CD1 4.15Å; I472-L527 HydrophobicContact CD1-CD1 3.96Å; R523-L527 HydrophobicContact CG-CD1 3.94Å; R523-L527 HydrophobicContact CG-CG 4.32Å; R523-L527 WeakPolarHBondContact O-CG 3.19Å; R523-L527 PolarHBondContact O-N 3.38Å; Q524-L527 PolarHBondContact O-N 3.49Å; L527-L530 PolarHBondContact O-N 3.04Å; L527-A531 PolarHBondContact O-N 3.35Å |
| 528 | R | 82.9 | Confident | 70.8 | Confident | 118 Ų | 118 | 97.2 Ų | 97.2 | 45% | 0.445 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 172.4 | -71.8 | 173.3 | -175.6 | 130.2 | 11 | 110.8 | L469 E473 Q524 L530 A531 D532 | L469-R528 HydrophobicContact CD1-CG 3.92Å; L469-R528 HydrophobicContact CD2-CG 4.15Å; E473-R528 IonicContact OE1-NH2 2.69Å; Q524-R528 WeakPolarHBondContact O-CB 3.47Å; Q524-R528 VanDerWaalsContact O-CG 3.31Å; Q524-R528 WeakPolarHBondContact O-CG 3.3Å; Q524-R528 PolarHBondContact O-N 2.73Å; Q524-R528 VanDerWaalsContact OE1-CZ 3.27Å; R528-L530 VanDerWaalsContact C-N 3.3Å; R528-L530 PolarHBondContact O-N 3.18Å; R528-A531 PolarHBondContact O-N 3.04Å; R528-D532 PolarHBondContact O-N 2.89Å |
| 529 | K | 77.5 | Confident | 68 | Low | 161 Ų | 161 | 101.9 Ų | 101.9 | 70% | 0.7 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.2 | -28.6 | 175.1 | -73.5 | 172.6 | -178.7 | 177.3 | 0 | 114 | A525 S526 | A525-K529 WeakPolarHBondContact O-CB 3.44Å; A525-K529 WeakPolarHBondContact O-CD 3.11Å; A525-K529 VanDerWaalsContact O-CG 3.26Å; A525-K529 WeakPolarHBondContact O-CG 3.22Å; A525-K529 PolarHBondContact O-N 2.97Å; S526-K529 PolarHBondContact O-N 3.37Å |
| 530 | L | 70.1 | Confident | 65.3 | Low | 62 Ų | 62 | 104.2 Ų | 104.2 | 33% | 0.325 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -75.3 | -41.6 | 173.9 | -77.7 | 161.9 | 0 | 0 | 0 | 111.9 | A465 S526 L527 R528 D532 R533 | A465-L530 HydrophobicContact CB-CB 4.27Å; S526-L530 WeakPolarHBondContact O-CG 3.28Å; S526-L530 PolarHBondContact O-N 3.38Å; L527-L530 PolarHBondContact O-N 3.04Å; R528-L530 VanDerWaalsContact C-N 3.3Å; R528-L530 PolarHBondContact O-N 3.18Å; L530-D532 PolarHBondContact O-N 3.12Å; L530-R533 PolarHBondContact O-N 3.29Å |
| 531 | A | 65.3 | Low | 62.4 | Low | 14 Ų | 14 | 110 Ų | 110 | 12% | 0.116 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -66.3 | -22.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K462 A465 Q466 L527 R528 | K462-A531 WeakPolarHBondContact CD-O 3.45Å; K462-A531 WeakPolarHBondContact CE-O 3.32Å; K462-A531 PolarHBondContact NZ-O 3.02Å; A465-A531 HydrophobicContact CB-CB 4.27Å; Q466-A531 HydrophobicContact CG-CB 4.42Å; L527-A531 PolarHBondContact O-N 3.35Å; R528-A531 PolarHBondContact O-N 3.04Å |
| 532 | D | 67.9 | Low | 59.9 | Low | 123 Ų | 123 | 109.7 Ų | 109.7 | 66% | 0.658 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -7.2 | -177.8 | -123.6 | -0.1 | 0 | 0 | 0 | 114.5 | R528 L530 H534 | R528-D532 PolarHBondContact O-N 2.89Å; L530-D532 PolarHBondContact O-N 3.12Å; D532-H534 PolarHBondContact O-N 2.9Å; D532-H534 VanDerWaalsContact O-N 3.12Å; D532-H534 PolarHBondContact O-ND1 2.97Å; D532-H534 VanDerWaalsContact O-ND1 3.1Å |
| 533 | R | 53.6 | Low | 57.7 | Low | 199 Ų | 199 | 111.3 Ų | 111.3 | 75% | 0.751 | 57% | 0.573 | S | S | * | * | trans | -77 | 104.1 | -163.2 | -153.3 | 179.2 | -167.4 | -160.7 | 3.7 | 113.3 | L530 | L530-R533 PolarHBondContact O-N 3.29Š| ||
| 534 | H | 45.8 | Very low | 55 | Low | 175 Ų | 175 | 120.4 Ų | 120.4 | 81% | 0.81 | 61% | 0.607 | S | S | * | * | trans | -77.7 | 145.8 | 169.9 | -71.5 | 69.1 | 0 | 0 | 0 | 111.5 | D532 | D532-H534 PolarHBondContact O-N 2.9Å; D532-H534 VanDerWaalsContact O-N 3.12Å; D532-H534 PolarHBondContact O-ND1 2.97Å; D532-H534 VanDerWaalsContact O-ND1 3.1Å | ||
| 535 | V | 44.4 | Very low | 53 | Low | 131 Ų | 131 | 124.2 Ų | 124.2 | 79% | 0.794 | 63% | 0.634 | S | S | * | * | trans | -119.4 | 128.1 | -169.1 | 178.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 536 | R | 30.8 | Very low | 50.2 | Low | 245 Ų | 245 | 129.9 Ų | 129.9 | 93% | 0.925 | 65% | 0.653 | S | S | * | * | trans | -150.4 | 165.2 | 165 | -84.2 | -144.3 | 173.1 | -174.1 | -0.9 | 111.1 | ||||
| 537 | P | 41.9 | Very low | 47.7 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 81% | 0.805 | 67% | 0.673 | S | S | * | * | -106 | -169.5 | -129.7 | 41.5 | -41.2 | 0 | 0 | 0 | 119 | |||||
| 538 | I | 41 | Very low | 45.2 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | trans | -82.9 | 152.2 | -160.3 | -57.2 | 150.4 | 0 | 0 | 0 | 115.1 | ||||
| 539 | Q | 30.2 | Very low | 43.3 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 89% | 0.888 | 72% | 0.723 | S | S | * | * | trans | -147.6 | 177.9 | 148.8 | -153.5 | 150.5 | 4.4 | 0 | 0 | 113.3 | ||||
| 540 | L | 31 | Very low | 41 | Very low | 144 Ų | 144 | 145 Ų | 145 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | trans | -123.5 | 148.3 | -151.6 | -83.7 | 90.2 | 0 | 0 | 0 | 117.5 | ||||
| 541 | V | 29.6 | Very low | 39 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | trans | 76.9 | 112.5 | 135.8 | 169.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 542 | A | 34.8 | Very low | 37.2 | Very low | 90 Ų | 90 | 155.5 Ų | 155.5 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | 58.9 | 167.1 | 132.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 543 | P | 41.8 | Very low | 35.8 | Very low | 129 Ų | 129 | 154.8 Ų | 154.8 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | cis | -132.8 | -164.7 | 5.9 | 43.5 | -24.5 | 0 | 0 | 0 | 117.8 | ||||
| 544 | R | 31 | Very low | 35.4 | Very low | 236 Ų | 236 | 150.6 Ų | 150.6 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -64.3 | 177.4 | -179.1 | -86.9 | -178.2 | -179.6 | 173.6 | 0.5 | 115.9 | ||||
| 545 | P | 44.6 | Very low | 34.6 | Very low | 102 Ų | 102 | 149 Ų | 149 | 66% | 0.662 | 79% | 0.788 | S | S | * | * | cis | -146.1 | -177.8 | 25.4 | 44.9 | -24.8 | 0 | 0 | 0 | 120.4 | ||||
| 546 | E | 27.2 | Very low | 33.6 | Very low | 162 Ų | 162 | 152.1 Ų | 152.1 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | 67.4 | 150.9 | 154.8 | -79.3 | 169.8 | -121.9 | 0 | 0 | 120.5 | ||||
| 547 | N | 28 | Very low | 33.6 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | cis | -145.7 | 174.8 | 5.5 | -122.9 | -37.6 | 0 | 0 | 0 | 114.2 | ||||
| 548 | Q | 29 | Very low | 33.7 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -94.3 | -175.5 | 175.6 | -77.7 | -163.7 | 7.3 | 0 | 0 | 112.1 | ||||
| 549 | P | 43.5 | Very low | 33 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | cis | -148 | 167.2 | 13.2 | 44.9 | -24.2 | 0 | 0 | 0 | 121.5 | ||||
| 550 | R | 29.4 | Very low | 33 | Very low | 228 Ų | 228 | 144.1 Ų | 144.1 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | 35.6 | 109.5 | 142.5 | -74.8 | -178.9 | 162.9 | 157.3 | -4 | 124.2 | ||||
| 551 | A | 28.7 | Very low | 32.8 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | 72.8 | 158.5 | 100.4 | 0 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 552 | K | 27.4 | Very low | 32.7 | Very low | 204 Ų | 204 | 142.3 Ų | 142.3 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | 95.4 | 120.9 | 162.1 | -64.8 | -170 | 177.6 | -176 | 0 | 120 | ||||
| 553 | S | 38.5 | Very low | 32.3 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -77.2 | 164.4 | 143 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 554 | P | 45.7 | Very low | 31.9 | Very low | 110 Ų | 110 | 142 Ų | 142 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | -157.4 | -175.5 | 52.2 | 45.7 | -23.2 | 0 | 0 | 0 | 119 | |||||
| 555 | L | 27.3 | Very low | 31.7 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | 33.4 | 131.4 | 140.3 | -64.8 | 170.3 | 0 | 0 | 0 | 124 | ||||
| 556 | F | 23.3 | Very low | 30.7 | Very low | 196 Ų | 196 | 141.5 Ų | 141.5 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | 73.1 | 148.7 | 144.1 | -78.9 | -63.2 | 0 | 0 | 0 | 123.9 | ||||
| 557 | S | 32.5 | Very low | 30.6 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -61.3 | -178.1 | 174.2 | -139.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 558 | P | 42.6 | Very low | 30.5 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | cis | -152.3 | -175.9 | 14.4 | 40.7 | -17.1 | 0 | 0 | 0 | 120.5 | ||||
| 559 | K | 27.4 | Very low | 30.3 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | trans | 84.7 | 145.6 | 133.4 | -100.4 | 175.1 | 174 | -167.6 | 0 | 125 | ||||
| 560 | H | 28.9 | Very low | 29.7 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | 63.3 | 144.9 | 166.4 | -58.4 | -68 | 0 | 0 | 0 | 117.2 | ||||
| 561 | G | 27.8 | Very low | 29.6 | Very low | 71 Ų | 71 | 133.6 Ų | 133.6 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | cis | 159.3 | 166.2 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 562 | D | 28.4 | Very low | 30 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 87% | 0.866 | 74% | 0.741 | S | S | * | * | cis | -166.4 | 167.2 | -9.5 | -149.9 | -40.9 | 0 | 0 | 0 | 109.4 | ||||
| 563 | G | 26.4 | Very low | 30.8 | Very low | 55 Ų | 55 | 133.2 Ų | 133.2 | 57% | 0.567 | 74% | 0.739 | S | S | * | * | trans | 130.3 | 98.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 564 | L | 32.1 | Very low | 30.1 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | 66.7 | 115.6 | 86 | -68.6 | 174.3 | 0 | 0 | 0 | 113.4 | |||||
| 565 | K | 27.7 | Very low | 29.1 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | cis | -149.5 | -179.6 | 18.3 | -77.6 | -171.5 | 174.9 | -179.7 | 0 | 108.8 | ||||
| 566 | F | 23.5 | Very low | 29.1 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | cis | -171.8 | -176.2 | -2.7 | -114.6 | -159.2 | 0 | 0 | 0 | 105.3 | ||||
| 567 | T | 25 | Very low | 29.2 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 58% | 0.577 | 75% | 0.751 | S | S | * | * | cis | 179.5 | 145.6 | -38.6 | 41.2 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 568 | F | 26.1 | Very low | 28.8 | Very low | 179 Ų | 179 | 134.4 Ų | 134.4 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | cis | -155 | 156.8 | 1.6 | -126 | -139.1 | 0 | 0 | 0 | 105.9 | ||||
| 569 | D | 25.2 | Very low | 27.9 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | cis | 74.3 | 136.6 | 42.8 | -85 | 12.5 | 0 | 0 | 0 | 115.4 | ||||
| 570 | I | 28.9 | Very low | 27.9 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | cis | -160.7 | -169.9 | -16.1 | -137.5 | 172.7 | 0 | 0 | 0 | 112.3 | ||||
| 571 | S | 29 | Very low | 27.6 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -55.7 | 172.4 | -163.8 | 66.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 572 | L | 37.2 | Very low | 28 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -51.4 | -177 | 150.3 | -62 | 158.8 | 0 | 0 | 0 | 113.5 | ||||
| 573 | P | 43.3 | Very low | 27.8 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 84% | 0.844 | 76% | 0.757 | S | S | * | * | cis | -131.8 | -172.4 | -7 | 38.9 | -20.1 | 0 | 0 | 0 | 114.9 | ||||
| 574 | G | 23.2 | Very low | 28.3 | Very low | 78 Ų | 78 | 141.7 Ų | 141.7 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 177 | 159.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 575 | K | 25.9 | Very low | 27.9 | Very low | 196 Ų | 196 | 145.8 Ų | 145.8 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | trans | -140.6 | 133.8 | -176.8 | -120.7 | -179.1 | -172.9 | 169.7 | 0 | 114.5 | ||||
| 576 | K | 27.1 | Very low | 27.8 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | 72.9 | 142.4 | 151.4 | -74.9 | -170.6 | 172.3 | -173.6 | 0 | 123.9 | ||||
| 577 | S | 24.8 | Very low | 27.9 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | 100.3 | 143.9 | 155.3 | 90.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 578 | S | 23.9 | Very low | 27.8 | Very low | 103 Ų | 103 | 149 Ų | 149 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | cis | -161.2 | 164.3 | 4.3 | -153.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 579 | R | 25.1 | Very low | 27.8 | Very low | 224 Ų | 224 | 146 Ų | 146 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | 84.9 | 129 | 152.3 | -79.7 | 170.5 | 175.8 | 172.6 | -0.5 | 124.5 | ||||
| 580 | K | 25.9 | Very low | 27.8 | Very low | 184 Ų | 184 | 148.5 Ų | 148.5 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | 88.3 | 89.5 | 144 | -71.7 | 179.8 | 174.9 | -171.1 | 0 | 123.6 | ||||
| 581 | S | 24.1 | Very low | 27.6 | Very low | 102 Ų | 102 | 149.1 Ų | 149.1 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | 34.3 | 159.4 | 108.3 | 67 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 582 | P | 34.4 | Very low | 27.5 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | cis | -147.3 | 151.4 | -40.7 | 40.1 | -21.7 | 0 | 0 | 0 | 117.4 | ||||
| 583 | N | 24.9 | Very low | 26.8 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | 59.3 | 174.1 | 151.2 | -88.7 | 6.2 | 0 | 0 | 0 | 120.7 | ||||
| 584 | P | 36.7 | Very low | 26.1 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | cis | -137.2 | -169.9 | -36.9 | 37.7 | -19.6 | 0 | 0 | 0 | 114.4 | ||||
| 585 | R | 25.1 | Very low | 26.2 | Very low | 242 Ų | 242 | 139.1 Ų | 139.1 | 91% | 0.913 | 69% | 0.693 | S | S | * | * | trans | 79 | 157.8 | 167.6 | -61.2 | 173.4 | -177.3 | -175.5 | -0.2 | 114.6 | ||||
| 586 | K | 23.8 | Very low | 26.2 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 76% | 0.757 | 65% | 0.653 | S | S | * | * | cis | -145.2 | 162.8 | 26 | -166.6 | -166.7 | 171.8 | -155.2 | 0 | 112.3 | ||||
| 587 | I | 27.2 | Very low | 26.3 | Very low | 147 Ų | 147 | 120.7 Ų | 120.7 | 75% | 0.754 | 61% | 0.613 | S | S | * | * | trans | -111 | 153.1 | 174.2 | -68.5 | 168 | 0 | 0 | 0 | 109.3 | ||||
| 588 | E | 22.8 | Very low | 26.4 | Very low | 169 Ų | 169 | 115.2 Ų | 115.2 | 79% | 0.79 | 58% | 0.575 | S | S | * | * | trans | -117.3 | 166 | 169.2 | -61.6 | -159.5 | 141.6 | 0 | 0 | 112.1 | ||||
| 589 | V | 25.2 | Very low | 26.5 | Very low | 118 Ų | 118 | 111.8 Ų | 111.8 | 72% | 0.715 | 55% | 0.551 | S | S | * | * | trans | -135.4 | 147.4 | -151.7 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 590 | I | 25.6 | Very low | 26.6 | Very low | 167 Ų | 167 | 106 Ų | 106 | 86% | 0.856 | 54% | 0.54 | S | S | * | . | trans | -125.9 | 146.3 | 163.5 | -64.4 | -178.3 | 0 | 0 | 0 | 108.9 | ||||
| 591 | H | 25.5 | Very low | 26.6 | Very low | 160 Ų | 160 | 98.7 Ų | 98.7 | 74% | 0.741 | 51% | 0.512 | S | S | * | . | trans | -102.6 | 154.5 | 177.7 | -92.2 | -99.6 | 0 | 0 | 0 | 111.3 | ||||
| 592 | D | 26.3 | Very low | 26.8 | Very low | 151 Ų | 151 | 104.1 Ų | 104.1 | 81% | 0.807 | 52% | 0.518 | S | S | * | . | trans | -151.1 | 141 | 160.9 | -139.9 | -25 | 0 | 0 | 0 | 111.2 | ||||
| 593 | Y | 23.2 | Very low | 26.8 | Very low | 101 Ų | 101 | 103.8 Ų | 103.8 | 40% | 0.396 | 52% | 0.519 | S | S | . | . | trans | -147.9 | 152.2 | -160.8 | -121.2 | -125.3 | 0 | 0 | 0 | 117 | R640 D644 K660 P668 | Y593-R640 VanDerWaalsContact CZ-NH2 3.28Å; Y593-D644 VanDerWaalsContact CE1-OD2 3.24Å; Y593-D644 WeakPolarHBondContact CE1-OD2 3.31Å; Y593-D644 VanDerWaalsContact OH-CG 3.29Å; Y593-D644 PolarHBondContact OH-OD1 3.36Å; Y593-D644 PolarHBondContact OH-OD2 2.91Å; Y593-K660 VanDerWaalsContact OH-CD 3.3Å; Y593-K660 WeakPolarHBondContact OH-CD 3.31Å; Y593-K660 VanDerWaalsContact OH-CE 3.31Å; Y593-K660 WeakPolarHBondContact OH-CE 3.35Å; Y593-K660 PolarHBondContact OH-NZ 3.48Å; Y593-P668 WeakPolarHBondContact O-CB 3.35Å; Y593-P668 WeakPolarHBondContact O-CG 3.29Å | ||
| 594 | Q | 27.9 | Very low | 27.1 | Very low | 4 Ų | 4 | 104.6 Ų | 104.6 | 2% | 0.019 | 52% | 0.522 | C | S | . | . | trans | -118.8 | 144.3 | -149.9 | -133.9 | -151.4 | -52.4 | 0 | 0 | 116.5 | L636 R640 F664 G665 M667 P668 | Q594-L636 WeakPolarHBondContact O-CD2 3.48Å; Q594-R640 WeakPolarHBondContact O-CD 3.04Å; Q594-R640 PolarHBondContact O-NH1 3.28Å; Q594-F664 VanDerWaalsContact CD-CB 3.44Å; Q594-F664 VanDerWaalsContact NE2-CB 3.25Å; Q594-F664 PolarHBondContact NE2-O 2.85Å; Q594-G665 VanDerWaalsContact CG-O 3.28Å; Q594-G665 WeakPolarHBondContact CG-O 3.49Å; Q594-G665 VanDerWaalsContact NE2-N 3.14Å; Q594-G665 PolarHBondContact NE2-O 3.46Å; Q594-G665 VanDerWaalsContact OE1-N 3.14Å; Q594-G665 PolarHBondContact OE1-O 3Å; Q594-M667 HydrophobicContact CG-CB 4.21Å; Q594-P668 VanDerWaalsContact CA-CB 3.44Å; Q594-P668 HydrophobicContact CB-CG 4.27Å; Q594-P668 HydrophobicContact CG-CG 4.02Å | ||
| 595 | E | 25.9 | Very low | 27.2 | Very low | 0 Ų | 0 | 108.1 Ų | 108.1 | 0% | 0 | 54% | 0.535 | C | S | . | . | 179.7 | 165.3 | 74 | -65.4 | -135.6 | 82.4 | 0 | 0 | 120.6 | V635 L636 R640 F664 M667 Y671 | E595-V635 VanDerWaalsContact OE2-CG1 3.3Å; E595-V635 WeakPolarHBondContact OE2-CG1 3.48Å; E595-L636 HydrophobicContact CB-CG 3.99Å; E595-L636 WeakPolarHBondContact O-CD1 3.37Å; E595-L636 WeakPolarHBondContact O-CG 3.48Å; E595-R640 HydrophobicContact CG-CB 4.01Å; E595-R640 HydrophobicContact CG-CG 4.19Å; E595-F664 VanDerWaalsContact CD-CG 3.48Å; E595-F664 HydrophobicContact CG-CB 4.37Å; E595-F664 HydrophobicContact CG-CG 4.46Å; E595-F664 WeakPolarHBondContact OE1-CB 3.43Å; E595-F664 WeakPolarHBondContact OE1-CD1 3.36Å; E595-F664 WeakPolarHBondContact OE1-CG 3.32Å; E595-F664 WeakPolarHBondContact OE2-CD1 3.46Å; E595-F664 WeakPolarHBondContact OE2-CE1 3.39Å; E595-F664 WeakPolarHBondContact OE2-CG 3.33Å; E595-M667 CarbonylContact C-O 3.54Å; E595-M667 HydrophobicContact CB-CB 4.3Å; E595-M667 HydrophobicContact CB-CE 4.04Å; E595-M667 HydrophobicContact CG-CE 4.36Å; E595-M667 WeakPolarHBondContact OE1-CE 3.39Å; E595-Y671 WeakPolarHBondContact O-CB 3.45Å | |||
| 596 | S | 26.1 | Very low | 27.6 | Very low | 0 Ų | 0 | 99.2 Ų | 99.2 | 0% | 0 | 52% | 0.519 | C | S | . | . | 124.2 | 163.6 | 126.6 | -147.1 | 0 | 0 | 0 | 0 | 118.2 | L632 V635 M667 Y671 | S596-L632 WeakPolarHBondContact O-CD1 3.46Å; S596-L632 WeakPolarHBondContact OG-CA 3.46Å; S596-V635 WeakPolarHBondContact OG-CB 3.41Å; S596-M667 VanDerWaalsContact CA-CE 3.45Å; S596-M667 VanDerWaalsContact N-CG 3.3Å; S596-M667 PolarHBondContact N-O 2.88Å; S596-Y671 PolarHBondContact O-N 3.16Å | |||
| 597 | R | 28 | Very low | 28.9 | Very low | 0 Ų | 0 | 99.3 Ų | 99.3 | 0% | 0 | 53% | 0.528 | C | S | . | . | cis | 110.7 | 78.6 | -0.7 | -69.9 | -169.6 | 167.5 | 113.9 | 10.7 | 127.1 | L632 M667 Y709 Y747 L748 K750 P751 | R597-L632 HydrophobicContact CB-CD2 4.2Å; R597-L632 WeakPolarHBondContact O-CD2 3.41Å; R597-M667 HydrophobicContact CB-CE 4.16Å; R597-M667 VanDerWaalsContact CD-CE 3.45Å; R597-M667 HydrophobicContact CG-CE 3.64Å; R597-M667 HydrophobicContact CG-CG 4.38Å; R597-M667 HydrophobicContact CG-SD 3.61Å; R597-M667 VanDerWaalsContact NH1-CE 3.25Å; R597-M667 PolarHBondContact NH1-SD 2.84Å; R597-Y709 PolarHBondContact NH1-OH 2.73Å; R597-Y709 PolarHBondContact NH2-OH 3.46Å; R597-Y747 WeakPolarHBondContact CD-O 3.46Å; R597-L748 VanDerWaalsContact NE-CA 3.26Å; R597-L748 PolarHBondContact NE-O 2.98Å; R597-L748 VanDerWaalsContact NH1-CA 3.31Å; R597-L748 VanDerWaalsContact NH2-C 3.34Å; R597-L748 PolarHBondContact NH2-O 2.86Å; R597-K750 HydrophobicContact CB-CB 4.14Å; R597-K750 HydrophobicContact CB-CD 4.5Å; R597-K750 HydrophobicContact CG-CB 4.17Å; R597-P751 VanDerWaalsContact CG-CD 3.49Å; R597-P751 HydrophobicContact CG-CG 3.47Å; R597-P751 VanDerWaalsContact CG-CG 3.47Å | ||
| 598 | S | 26.4 | Very low | 29.7 | Very low | 5 Ų | 5 | 94.4 Ų | 94.4 | 4% | 0.035 | 50% | 0.503 | C | S | . | . | trans | 94.1 | 139.6 | 144.7 | 88.1 | 0 | 0 | 0 | 0 | 124.8 | I627 Y628 E631 K750 | S598-I627 CarbonylContact C-O 3.54Å; S598-I627 CarbonylContact O-C 3.57Å; S598-Y628 WeakPolarHBondContact O-CA 3.49Å; S598-Y628 PolarHBondContact O-N 2.8Å; S598-E631 VanDerWaalsContact O-CB 3.24Å; S598-E631 WeakPolarHBondContact O-CB 3.5Å; S598-E631 WeakPolarHBondContact O-CG 3.01Å; S598-E631 PolarHBondContact OG-OE2 3.11Å; S598-K750 WeakPolarHBondContact OG-CD 3.42Å; S598-K750 WeakPolarHBondContact OG-CE 3.31Å; S598-K750 PolarHBondContact OG-NZ 3.02Å | ||
| 599 | C | 26.2 | Very low | 31.7 | Very low | 32 Ų | 32 | 89.2 Ų | 89.2 | 22% | 0.216 | 49% | 0.485 | C | S | . | . | 178.4 | -169.2 | 80.7 | -136.8 | 0 | 0 | 0 | 0 | 116.3 | T624 I627 Y628 E631 | C599-T624 CarbonylContact O-C 3.58Å; C599-T624 WeakPolarHBondContact O-CA 3.19Å; C599-T624 VanDerWaalsContact O-CB 3.32Å; C599-T624 WeakPolarHBondContact O-CB 3.36Å; C599-T624 VanDerWaalsContact O-O 3.05Å; C599-I627 HydrophobicContact CB-CB 4.38Å; C599-I627 HydrophobicContact CB-CG2 3.44Å; C599-I627 VanDerWaalsContact CB-CG2 3.44Å; C599-Y628 VanDerWaalsContact N-N 3.15Å; C599-E631 VanDerWaalsContact CB-CD 3.46Å; C599-E631 HydrophobicContact CB-CG 4.21Å; C599-E631 WeakPolarHBondContact CB-OE1 3.31Å; C599-E631 PolarHBondContact SG-OE1 3.06Å | |||
| 600 | V | 26.9 | Very low | 33.8 | Very low | 102 Ų | 102 | 87 Ų | 87 | 62% | 0.618 | 47% | 0.473 | S | S | * | . | trans | -71 | 149.9 | -169.2 | 167.6 | 0 | 0 | 0 | 0 | 119.4 | I627 | V600-I627 WeakPolarHBondContact O-CD1 3.46Š| ||
| 601 | S | 26.9 | Very low | 36 | Very low | 30 Ų | 30 | 82.5 Ų | 82.5 | 21% | 0.21 | 45% | 0.451 | C | S | . | . | trans | -162.4 | 102.9 | 145.4 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | T624 | S601-T624 VanDerWaalsContact N-CG2 3.31Š| ||
| 602 | Y | 28.2 | Very low | 38.5 | Very low | 217 Ų | 217 | 78.3 Ų | 78.3 | 85% | 0.851 | 43% | 0.434 | S | S | * | . | 77.7 | 121.5 | 89.2 | -119.9 | -80.4 | 0 | 0 | 0 | 115.9 | |||||
| 603 | S | 33.4 | Very low | 41.1 | Very low | 105 Ų | 105 | 73.4 Ų | 73.4 | 73% | 0.734 | 41% | 0.407 | S | S | * | . | trans | -100.7 | 157.9 | -177 | -42.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 604 | L | 31.3 | Very low | 44 | Very low | 174 Ų | 174 | 69.7 Ų | 69.7 | 91% | 0.911 | 39% | 0.393 | S | S | * | . | trans | -150 | 146.8 | 169.4 | -111.2 | 166.1 | 0 | 0 | 0 | 109.9 | ||||
| 605 | D | 39.4 | Very low | 46.6 | Very low | 172 Ų | 172 | 75.1 Ų | 75.1 | 92% | 0.92 | 41% | 0.414 | S | S | * | . | trans | -72.3 | 141.7 | -175.5 | -73.3 | -58.8 | 0 | 0 | 0 | 113.8 | ||||
| 606 | G | 34.5 | Very low | 49.4 | Very low | 55 Ų | 55 | 79.5 Ų | 79.5 | 57% | 0.567 | 43% | 0.434 | S | S | * | . | trans | -169.4 | 140.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D608 | G606-D608 PolarHBondContact O-N 2.85Š| ||
| 607 | D | 49.9 | Very low | 52.4 | Low | 177 Ų | 177 | 80 Ų | 80 | 95% | 0.947 | 44% | 0.437 | S | S | * | . | trans | -79.8 | 69.2 | 175.6 | -167.5 | 26 | 0 | 0 | 0 | 109.6 | ||||
| 608 | D | 44.9 | Very low | 55.3 | Low | 44 Ų | 44 | 80 Ų | 80 | 24% | 0.235 | 44% | 0.437 | C | S | . | . | trans | -83.2 | 129.7 | -167.8 | -96.9 | 1.4 | 0 | 0 | 0 | 112.6 | G606 L612 L613 H616 | G606-D608 PolarHBondContact O-N 2.85Å; D608-L612 HydrophobicContact CB-CB 3.81Å; D608-L612 VanDerWaalsContact CG-CB 3.48Å; D608-L613 HydrophobicContact CB-CD2 3.57Å; D608-L613 HydrophobicContact CB-CG 3.74Å; D608-H616 IonicContact OD2-CE1 3.18Å; D608-H616 PolarHBondContact OD2-CE1 3.4Å; D608-H616 IonicContact OD2-CG 3.67Å; D608-H616 IonicContact OD2-ND1 2.66Å; D608-H616 PolarHBondContact OD2-ND1 2.94Å | ||
| 609 | S | 64.2 | Low | 58.3 | Low | 59 Ų | 59 | 86.6 Ų | 86.6 | 41% | 0.413 | 46% | 0.461 | S | S | . | . | trans | -49.5 | 146.9 | 163.2 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | D611 L612 L613 | S609-D611 PolarHBondContact O-N 3.2Å; S609-L612 WeakPolarHBondContact O-CA 3.35Å; S609-L612 WeakPolarHBondContact O-CB 3.47Å; S609-L612 PolarHBondContact O-N 3.5Å; S609-L613 PolarHBondContact O-N 3.1Å | ||
| 610 | P | 68.2 | Low | 61.4 | Low | 71 Ų | 71 | 88 Ų | 88 | 46% | 0.461 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -52.2 | -34 | 179.9 | 19.1 | -33.1 | 0 | 0 | 0 | 113.8 | L613 K614 | P610-L613 PolarHBondContact O-N 3.42Å; P610-K614 WeakPolarHBondContact O-CG 3.49Å; P610-K614 PolarHBondContact O-N 2.96Å |
| 611 | D | 73.2 | Confident | 64.5 | Low | 73 Ų | 73 | 83.4 Ų | 83.4 | 39% | 0.39 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -76.2 | -20.3 | 176.7 | -60.1 | -43.1 | 0 | 0 | 0 | 114.1 | S609 K614 R615 | S609-D611 PolarHBondContact O-N 3.2Å; D611-K614 WeakPolarHBondContact OD1-CE 3.42Å; D611-K614 IonicContact OD1-NZ 3.2Å; D611-K614 PolarHBondContact OD1-NZ 2.97Å; D611-R615 PolarHBondContact O-N 3.07Å; D611-R615 PolarHBondContact O-NE 3.19Å; D611-R615 PolarHBondContact O-NH2 3.25Å |
| 612 | L | 77.4 | Confident | 67.6 | Low | 72 Ų | 72 | 82.1 Ų | 82.1 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -76.8 | -41.9 | 167.1 | -67.2 | 171.7 | 0 | 0 | 0 | 109.9 | D608 S609 K614 R615 H616 | D608-L612 HydrophobicContact CB-CB 3.81Å; D608-L612 VanDerWaalsContact CG-CB 3.48Å; S609-L612 WeakPolarHBondContact O-CA 3.35Å; S609-L612 WeakPolarHBondContact O-CB 3.47Å; S609-L612 PolarHBondContact O-N 3.5Å; L612-K614 PolarHBondContact O-N 3.04Å; L612-R615 CarbonylContact O-C 3.58Å; L612-R615 PolarHBondContact O-N 3.34Å; L612-R615 VanDerWaalsContact O-N 3.15Å; L612-H616 PolarHBondContact O-N 3.33Å |
| 613 | L | 81.4 | Confident | 70.7 | Confident | 48 Ų | 48 | 75.2 Ų | 75.2 | 25% | 0.251 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 173.9 | -65.3 | 175.6 | 0 | 0 | 0 | 112.1 | D608 S609 P610 R615 H616 V617 Y768 | D608-L613 HydrophobicContact CB-CD2 3.57Å; D608-L613 HydrophobicContact CB-CG 3.74Å; S609-L613 PolarHBondContact O-N 3.1Å; P610-L613 PolarHBondContact O-N 3.42Å; L613-R615 VanDerWaalsContact C-N 3.32Å; L613-R615 PolarHBondContact O-N 3.48Å; L613-H616 PolarHBondContact O-N 3.07Å; L613-H616 VanDerWaalsContact O-N 3.16Å; L613-V617 WeakPolarHBondContact O-CG2 3.33Å; L613-V617 PolarHBondContact O-N 2.88Å; L613-Y768 HydrophobicContact CB-CD1 4.14Å; L613-Y768 HydrophobicContact CB-CD2 3.87Å; L613-Y768 HydrophobicContact CB-CE1 4.42Å; L613-Y768 HydrophobicContact CB-CE2 4.15Å; L613-Y768 HydrophobicContact CB-CG 3.88Å; L613-Y768 HydrophobicContact CD1-CD1 3.73Å; L613-Y768 HydrophobicContact CD1-CE1 3.58Å; L613-Y768 HydrophobicContact CD1-CG 4.35Å |
| 614 | K | 83 | Confident | 73.5 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 10% | 0.104 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -53.3 | -48.1 | 171.7 | -70.6 | 172.7 | -162.7 | 169.8 | 0 | 111.9 | P610 D611 L612 V617 M618 P689 L765 Y768 S769 | P610-K614 WeakPolarHBondContact O-CG 3.49Å; P610-K614 PolarHBondContact O-N 2.96Å; D611-K614 WeakPolarHBondContact OD1-CE 3.42Å; D611-K614 IonicContact OD1-NZ 3.2Å; D611-K614 PolarHBondContact OD1-NZ 2.97Å; L612-K614 PolarHBondContact O-N 3.04Å; K614-V617 PolarHBondContact O-N 2.91Å; K614-M618 WeakPolarHBondContact O-CB 3.38Å; K614-M618 PolarHBondContact O-N 3.24Å; K614-P689 HydrophobicContact CB-CG 4.13Å; K614-L765 HydrophobicContact CB-CD1 3.88Å; K614-L765 HydrophobicContact CG-CD1 4.03Å; K614-Y768 WeakPolarHBondContact CE-O 3.47Å; K614-S769 WeakPolarHBondContact CD-OG 3.43Å; K614-S769 VanDerWaalsContact CE-OG 3.22Å; K614-S769 WeakPolarHBondContact CE-OG 3.36Å |
| 615 | R | 83.2 | Confident | 76.5 | Confident | 118 Ų | 118 | 62.2 Ų | 62.2 | 45% | 0.445 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.1 | -29.1 | 179.3 | -83.5 | 174.2 | -78.5 | 166.8 | -9.8 | 113 | D611 L612 L613 R619 | D611-R615 PolarHBondContact O-N 3.07Å; D611-R615 PolarHBondContact O-NE 3.19Å; D611-R615 PolarHBondContact O-NH2 3.25Å; L612-R615 CarbonylContact O-C 3.58Å; L612-R615 PolarHBondContact O-N 3.34Å; L612-R615 VanDerWaalsContact O-N 3.15Å; L613-R615 VanDerWaalsContact C-N 3.32Å; L613-R615 PolarHBondContact O-N 3.48Å; R615-R619 WeakPolarHBondContact O-CB 3.45Å; R615-R619 PolarHBondContact O-N 2.67Å |
| 616 | H | 85.3 | Confident | 79.1 | Confident | 91 Ų | 91 | 58 Ų | 58 | 42% | 0.421 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.3 | -46.3 | 170.4 | -97.2 | 126.9 | 0 | 0 | 0 | 111.6 | D608 L612 L613 M618 R619 E620 | D608-H616 IonicContact OD2-CE1 3.18Å; D608-H616 PolarHBondContact OD2-CE1 3.4Å; D608-H616 IonicContact OD2-CG 3.67Å; D608-H616 IonicContact OD2-ND1 2.66Å; D608-H616 PolarHBondContact OD2-ND1 2.94Å; L612-H616 PolarHBondContact O-N 3.33Å; L613-H616 PolarHBondContact O-N 3.07Å; L613-H616 VanDerWaalsContact O-N 3.16Å; H616-M618 PolarHBondContact O-N 3.44Å; H616-R619 PolarHBondContact NE2-NH1 2.71Å; H616-R619 PolarHBondContact O-N 3.42Å; H616-E620 PolarHBondContact O-N 3.01Å |
| 617 | V | 88.1 | Confident | 81.8 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 176 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | L613 K614 E620 L621 L761 E764 L765 Y768 | L613-V617 WeakPolarHBondContact O-CG2 3.33Å; L613-V617 PolarHBondContact O-N 2.88Å; K614-V617 PolarHBondContact O-N 2.91Å; V617-E620 PolarHBondContact O-N 3.31Å; V617-L621 WeakPolarHBondContact O-CB 3.44Å; V617-L621 PolarHBondContact O-N 3.44Å; V617-L761 HydrophobicContact CG1-CD2 4.49Å; V617-E764 HydrophobicContact CG2-CG 3.86Å; V617-L765 HydrophobicContact CB-CD1 4.4Å; V617-L765 HydrophobicContact CG1-CB 3.98Å; V617-Y768 HydrophobicContact CG2-CD2 4.15Å; V617-Y768 HydrophobicContact CG2-CE2 4.07Å |
| 618 | M | 90.2 | Very high | 84 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.9 | -40 | 175.8 | -166.8 | 65.6 | -161.3 | 0 | 0 | 112 | K614 H616 L621 I622 L682 C685 P689 V692 | K614-M618 WeakPolarHBondContact O-CB 3.38Å; K614-M618 PolarHBondContact O-N 3.24Å; H616-M618 PolarHBondContact O-N 3.44Å; M618-L621 HydrophobicContact CE-CD2 4.4Å; M618-L621 PolarHBondContact O-N 3Å; M618-L621 HydrophobicContact SD-CD2 4.07Å; M618-I622 HydrophobicContact CE-CD1 3.82Å; M618-I622 HydrophobicContact CE-CG1 3.98Å; M618-I622 HydrophobicContact CG-CD1 4.07Å; M618-I622 WeakPolarHBondContact O-CG1 3.28Å; M618-I622 PolarHBondContact O-N 3.31Å; M618-L682 HydrophobicContact CE-CB 4.43Å; M618-L682 HydrophobicContact CE-CD2 4.09Å; M618-L682 WeakPolarHBondContact CE-O 3.21Å; M618-C685 HydrophobicContact CE-CB 3.46Å; M618-C685 VanDerWaalsContact CE-CB 3.46Å; M618-P689 HydrophobicContact CB-CB 3.96Å; M618-P689 HydrophobicContact CG-CB 4.01Å; M618-P689 HydrophobicContact SD-CB 4.26Å; M618-V692 HydrophobicContact CE-CB 4.35Å; M618-V692 HydrophobicContact CE-CG2 3.85Å; M618-V692 HydrophobicContact SD-CB 4.2Å; M618-V692 HydrophobicContact SD-CG2 4.07Å |
| 619 | R | 88.4 | Confident | 86.4 | Confident | 142 Ų | 142 | 47.7 Ų | 47.7 | 54% | 0.536 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 173.7 | -174.1 | -174.1 | -64.3 | 146.3 | 0.5 | 111.7 | R615 H616 I622 E623 | R615-R619 WeakPolarHBondContact O-CB 3.45Å; R615-R619 PolarHBondContact O-N 2.67Å; H616-R619 PolarHBondContact NE2-NH1 2.71Å; H616-R619 PolarHBondContact O-N 3.42Å; R619-I622 PolarHBondContact O-N 3.18Å; R619-E623 VanDerWaalsContact O-CB 3.29Å; R619-E623 WeakPolarHBondContact O-CB 3.34Å; R619-E623 PolarHBondContact O-N 2.93Å |
| 620 | E | 92.3 | Very high | 87.7 | Confident | 62 Ų | 62 | 51.3 Ų | 51.3 | 29% | 0.29 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 172.9 | 178.5 | 174.4 | 173 | 0 | 0 | 109.9 | H616 V617 I622 E623 T624 L761 | H616-E620 PolarHBondContact O-N 3.01Å; V617-E620 PolarHBondContact O-N 3.31Å; E620-I622 PolarHBondContact O-N 3.49Å; E620-E623 PolarHBondContact O-N 3.41Å; E620-T624 HydrophobicContact CG-CG2 3.86Å; E620-T624 VanDerWaalsContact O-CB 3.22Å; E620-T624 WeakPolarHBondContact O-CB 3.41Å; E620-T624 VanDerWaalsContact O-CG2 3.27Å; E620-T624 WeakPolarHBondContact O-CG2 2.97Å; E620-T624 PolarHBondContact O-N 2.89Å; E620-T624 PolarHBondContact O-OG1 2.89Å; E620-L761 HydrophobicContact CG-CD2 4.27Å |
| 621 | L | 91.9 | Very high | 88.8 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.4 | -48.1 | 179.3 | 175.4 | 62.7 | 0 | 0 | 0 | 112 | V617 M618 T624 E625 L682 V692 F696 R754 Y758 L761 | V617-L621 WeakPolarHBondContact O-CB 3.44Å; V617-L621 PolarHBondContact O-N 3.44Å; M618-L621 HydrophobicContact CE-CD2 4.4Å; M618-L621 PolarHBondContact O-N 3Å; M618-L621 HydrophobicContact SD-CD2 4.07Å; L621-T624 PolarHBondContact O-OG1 3.44Å; L621-E625 WeakPolarHBondContact O-CB 3.37Å; L621-E625 PolarHBondContact O-N 3.07Å; L621-L682 HydrophobicContact CD1-CD1 4.29Å; L621-L682 HydrophobicContact CD2-CD1 4.41Å; L621-L682 HydrophobicContact CD2-CD2 3.79Å; L621-L682 HydrophobicContact CG-CD1 4.03Å; L621-L682 HydrophobicContact CG-CD2 4.3Å; L621-V692 HydrophobicContact CD2-CG2 4.06Å; L621-F696 HydrophobicContact CD2-CE2 4.34Å; L621-R754 PolarHBondContact O-NH2 2.93Å; L621-Y758 HydrophobicContact CD1-CD1 4.09Å; L621-Y758 HydrophobicContact CD1-CE1 4.22Å; L621-L761 HydrophobicContact CB-CD1 4.33Å; L621-L761 HydrophobicContact CD1-CB 4.46Å; L621-L761 HydrophobicContact CD1-CD1 3.66Å |
| 622 | I | 92.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.3 | -46.2 | 179.1 | -64.7 | 160.7 | 0 | 0 | 0 | 111.7 | M618 R619 E620 E625 R626 L679 L682 E683 L686 | M618-I622 HydrophobicContact CE-CD1 3.82Å; M618-I622 HydrophobicContact CE-CG1 3.98Å; M618-I622 HydrophobicContact CG-CD1 4.07Å; M618-I622 WeakPolarHBondContact O-CG1 3.28Å; M618-I622 PolarHBondContact O-N 3.31Å; R619-I622 PolarHBondContact O-N 3.18Å; E620-I622 PolarHBondContact O-N 3.49Å; I622-E625 CarbonylContact O-C 3.57Å; I622-E625 WeakPolarHBondContact O-CA 3.46Å; I622-E625 VanDerWaalsContact O-CB 3.27Å; I622-E625 WeakPolarHBondContact O-CB 3.42Å; I622-E625 PolarHBondContact O-N 3.16Å; I622-R626 PolarHBondContact O-N 3.12Å; I622-L679 HydrophobicContact CG2-CD1 4.36Å; I622-L682 WeakPolarHBondContact CD1-O 3.29Å; I622-L682 HydrophobicContact CG1-CB 4.15Å; I622-E683 HydrophobicContact CG2-CG 3.83Å; I622-L686 HydrophobicContact CD1-CB 4.01Å; I622-L686 HydrophobicContact CD1-CD1 3.81Å; I622-L686 HydrophobicContact CD1-CG 4.44Å |
| 623 | E | 91.8 | Very high | 90.4 | Very high | 73 Ų | 73 | 46.6 Ų | 46.6 | 34% | 0.341 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.1 | -40.6 | -176.6 | -165.5 | 67.2 | 179.2 | 0 | 0 | 111.2 | R619 E620 E625 R626 I627 | R619-E623 VanDerWaalsContact O-CB 3.29Å; R619-E623 WeakPolarHBondContact O-CB 3.34Å; R619-E623 PolarHBondContact O-N 2.93Å; E620-E623 PolarHBondContact O-N 3.41Å; E623-E625 PolarHBondContact O-N 2.89Å; E623-R626 PolarHBondContact O-N 3.22Å; E623-R626 IonicContact OE2-CZ 3.63Å; E623-R626 IonicContact OE2-NH1 2.92Å; E623-R626 PolarHBondContact OE2-NH1 2.88Å; E623-I627 HydrophobicContact CG-CD1 4.34Å; E623-I627 WeakPolarHBondContact O-CG1 3.45Å; E623-I627 PolarHBondContact O-N 2.88Å |
| 624 | T | 93.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.4 | -10.2 | 168.6 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | C599 S601 E620 L621 Y628 R754 | C599-T624 CarbonylContact O-C 3.58Å; C599-T624 WeakPolarHBondContact O-CA 3.19Å; C599-T624 VanDerWaalsContact O-CB 3.32Å; C599-T624 WeakPolarHBondContact O-CB 3.36Å; C599-T624 VanDerWaalsContact O-O 3.05Å; S601-T624 VanDerWaalsContact N-CG2 3.31Å; E620-T624 HydrophobicContact CG-CG2 3.86Å; E620-T624 VanDerWaalsContact O-CB 3.22Å; E620-T624 WeakPolarHBondContact O-CB 3.41Å; E620-T624 VanDerWaalsContact O-CG2 3.27Å; E620-T624 WeakPolarHBondContact O-CG2 2.97Å; E620-T624 PolarHBondContact O-N 2.89Å; E620-T624 PolarHBondContact O-OG1 2.89Å; L621-T624 PolarHBondContact O-OG1 3.44Å; T624-Y628 WeakPolarHBondContact O-CB 3.4Å; T624-Y628 PolarHBondContact O-N 3.33Å; T624-R754 VanDerWaalsContact CB-NH1 3.26Å; T624-R754 PolarHBondContact O-NH1 3.03Å; T624-R754 PolarHBondContact OG1-NH1 3.39Å; T624-R754 PolarHBondContact OG1-NH2 2.96Å |
| 625 | E | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -88.2 | -42.8 | 168.6 | -166.4 | 62.2 | -145.9 | 0 | 0 | 111.8 | L621 I622 E623 I627 Y628 V629 H674 F678 L679 L682 R754 Y758 | L621-E625 WeakPolarHBondContact O-CB 3.37Å; L621-E625 PolarHBondContact O-N 3.07Å; I622-E625 CarbonylContact O-C 3.57Å; I622-E625 WeakPolarHBondContact O-CA 3.46Å; I622-E625 VanDerWaalsContact O-CB 3.27Å; I622-E625 WeakPolarHBondContact O-CB 3.42Å; I622-E625 PolarHBondContact O-N 3.16Å; E623-E625 PolarHBondContact O-N 2.89Å; E625-I627 PolarHBondContact O-N 3.43Å; E625-Y628 CarbonylContact O-C 3.54Å; E625-Y628 WeakPolarHBondContact O-CA 3.45Å; E625-Y628 VanDerWaalsContact O-CB 3.28Å; E625-Y628 WeakPolarHBondContact O-CB 3.41Å; E625-Y628 PolarHBondContact O-N 2.9Å; E625-Y628 WeakPolarHBondContact OE1-CD1 3.4Å; E625-V629 PolarHBondContact O-N 3.39Å; E625-H674 IonicContact OE1-CE1 3.58Å; E625-H674 IonicContact OE1-CG 2.65Å; E625-H674 IonicContact OE1-ND1 2.66Å; E625-H674 PolarHBondContact OE1-ND1 2.96Å; E625-F678 HydrophobicContact CG-CD1 4.34Å; E625-L679 HydrophobicContact CB-CD1 3.93Å; E625-L679 HydrophobicContact CG-CB 4.07Å; E625-L679 HydrophobicContact CG-CD1 3.86Å; E625-L682 HydrophobicContact CB-CD1 4.13Å; E625-L682 HydrophobicContact CG-CD1 4.01Å; E625-R754 IonicContact OE2-CZ 2.73Å; E625-R754 IonicContact OE2-NE 2.67Å; E625-R754 PolarHBondContact OE2-NE 3.44Å; E625-R754 IonicContact OE2-NH2 3.45Å; E625-R754 PolarHBondContact OE2-NH2 2.95Å; E625-Y758 PolarHBondContact OE2-OH 2.89Å |
| 626 | R | 93.1 | Very high | 91.3 | Very high | 85 Ų | 85 | 40.1 Ų | 40.1 | 32% | 0.321 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.3 | -49.3 | 174.5 | -70.2 | -172.2 | -172.4 | 115.1 | 3 | 111.1 | I622 E623 Y628 V629 E630 L679 E683 | I622-R626 PolarHBondContact O-N 3.12Å; E623-R626 PolarHBondContact O-N 3.22Å; E623-R626 IonicContact OE2-CZ 3.63Å; E623-R626 IonicContact OE2-NH1 2.92Å; E623-R626 PolarHBondContact OE2-NH1 2.88Å; R626-Y628 PolarHBondContact O-N 3.34Å; R626-V629 CarbonylContact O-C 3.57Å; R626-V629 WeakPolarHBondContact O-CA 3.49Å; R626-V629 WeakPolarHBondContact O-CB 3.41Å; R626-V629 PolarHBondContact O-N 2.99Å; R626-E630 WeakPolarHBondContact O-CG 3.47Å; R626-E630 PolarHBondContact O-N 3.45Å; R626-L679 HydrophobicContact CG-CD1 3.74Å; R626-L679 HydrophobicContact CG-CD2 4.17Å; R626-E683 IonicContact CZ-OE1 2.73Å; R626-E683 IonicContact NE-OE1 2.73Å; R626-E683 PolarHBondContact NE-OE1 3.27Å; R626-E683 IonicContact NH2-OE1 3.52Å; R626-E683 PolarHBondContact NH2-OE1 3.3Å |
| 627 | I | 92.4 | Very high | 91.4 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 20% | 0.195 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.7 | -38.3 | 175.4 | -54 | 165.7 | 0 | 0 | 0 | 108.7 | S598 C599 V600 E623 E625 V629 E630 E631 | S598-I627 CarbonylContact C-O 3.54Å; S598-I627 CarbonylContact O-C 3.57Å; C599-I627 HydrophobicContact CB-CB 4.38Å; C599-I627 HydrophobicContact CB-CG2 3.44Å; C599-I627 VanDerWaalsContact CB-CG2 3.44Å; V600-I627 WeakPolarHBondContact O-CD1 3.46Å; E623-I627 HydrophobicContact CG-CD1 4.34Å; E623-I627 WeakPolarHBondContact O-CG1 3.45Å; E623-I627 PolarHBondContact O-N 2.88Å; E625-I627 PolarHBondContact O-N 3.43Å; I627-V629 PolarHBondContact O-N 3.32Å; I627-V629 VanDerWaalsContact O-N 3.08Å; I627-E630 PolarHBondContact O-N 3.23Å; I627-E631 HydrophobicContact CG2-CG 4.25Å; I627-E631 PolarHBondContact O-N 2.71Å; I627-E631 VanDerWaalsContact O-N 3.13Å |
| 628 | Y | 95.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.2 | -11.5 | 167.2 | -168.3 | -83.9 | 0 | 0 | 0 | 115.4 | S598 C599 T624 E625 R626 L632 I670 H674 Y706 R754 | S598-Y628 WeakPolarHBondContact O-CA 3.49Å; S598-Y628 PolarHBondContact O-N 2.8Å; C599-Y628 VanDerWaalsContact N-N 3.15Å; T624-Y628 WeakPolarHBondContact O-CB 3.4Å; T624-Y628 PolarHBondContact O-N 3.33Å; E625-Y628 CarbonylContact O-C 3.54Å; E625-Y628 WeakPolarHBondContact O-CA 3.45Å; E625-Y628 VanDerWaalsContact O-CB 3.28Å; E625-Y628 WeakPolarHBondContact O-CB 3.41Å; E625-Y628 PolarHBondContact O-N 2.9Å; E625-Y628 WeakPolarHBondContact OE1-CD1 3.4Å; R626-Y628 PolarHBondContact O-N 3.34Å; Y628-L632 HydrophobicContact CE1-CD1 4.41Å; Y628-L632 WeakPolarHBondContact O-CD1 3.36Å; Y628-L632 WeakPolarHBondContact O-CD2 3.38Å; Y628-L632 WeakPolarHBondContact O-CG 3.29Å; Y628-I670 HydrophobicContact CE1-CG2 4.12Å; Y628-I670 VanDerWaalsContact OH-CG2 3.3Å; Y628-I670 WeakPolarHBondContact OH-CG2 3.27Å; Y628-H674 HydrophobicContact CD1-CB 4.19Å; Y628-H674 AromaticContact CD1-ND1 3.96Å; Y628-H674 HydrophobicContact CE1-CB 4.16Å; Y628-H674 AromaticContact CE1-CG 3.69Å; Y628-H674 AromaticContact CE1-ND1 3.86Å; Y628-Y706 PolarHBondContact OH-OH 3.09Å; Y628-Y706 VanDerWaalsContact OH-OH 3.12Å; Y628-R754 HydrophobicContact CD1-CG 4.4Å; Y628-R754 HydrophobicContact CD2-CB 3.5Å; Y628-R754 VanDerWaalsContact CD2-CB 3.5Å; Y628-R754 HydrophobicContact CD2-CG 3.35Å; Y628-R754 HydrophobicContact CE1-CG 4.42Å; Y628-R754 HydrophobicContact CE2-CB 3.18Å; Y628-R754 HydrophobicContact CE2-CG 3.44Å; Y628-R754 VanDerWaalsContact CE2-CG 3.44Å; Y628-R754 HydrophobicContact CG-CG 3.97Å |
| 629 | V | 95.1 | Very high | 90.8 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 12% | 0.121 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -105.5 | -17.2 | 171.5 | 168.7 | 0 | 0 | 0 | 0 | 112.3 | E625 R626 I627 L632 Y671 H674 L679 | E625-V629 PolarHBondContact O-N 3.39Å; R626-V629 CarbonylContact O-C 3.57Å; R626-V629 WeakPolarHBondContact O-CA 3.49Å; R626-V629 WeakPolarHBondContact O-CB 3.41Å; R626-V629 PolarHBondContact O-N 2.99Å; I627-V629 PolarHBondContact O-N 3.32Å; I627-V629 VanDerWaalsContact O-N 3.08Å; V629-L632 WeakPolarHBondContact O-CB 3.33Å; V629-Y671 HydrophobicContact CG1-CE2 4.09Å; V629-H674 HydrophobicContact CG2-CB 4.11Å; V629-L679 HydrophobicContact CB-CD2 4.3Å; V629-L679 HydrophobicContact CG1-CD2 4.49Å; V629-L679 HydrophobicContact CG2-CD2 4.11Å |
| 630 | E | 91.9 | Very high | 90.8 | Very high | 134 Ų | 134 | 33.8 Ų | 33.8 | 63% | 0.626 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -92.7 | -43.9 | -176.9 | -73.9 | -174.2 | 170.8 | 0 | 0 | 115.3 | R626 I627 L632 S634 | R626-E630 WeakPolarHBondContact O-CG 3.47Å; R626-E630 PolarHBondContact O-N 3.45Å; I627-E630 PolarHBondContact O-N 3.23Å; E630-L632 PolarHBondContact O-N 3.42Å; E630-S634 PolarHBondContact O-N 3.49Å |
| 631 | E | 90.4 | Very high | 90.5 | Very high | 41 Ų | 41 | 33 Ų | 33 | 19% | 0.192 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.6 | 12.6 | 171.1 | -52.3 | -170.6 | -175.8 | 0 | 0 | 111.8 | S598 C599 I627 S634 V635 Y747 K750 | S598-E631 VanDerWaalsContact O-CB 3.24Å; S598-E631 WeakPolarHBondContact O-CB 3.5Å; S598-E631 WeakPolarHBondContact O-CG 3.01Å; S598-E631 PolarHBondContact OG-OE2 3.11Å; C599-E631 VanDerWaalsContact CB-CD 3.46Å; C599-E631 HydrophobicContact CB-CG 4.21Å; C599-E631 WeakPolarHBondContact CB-OE1 3.31Å; C599-E631 PolarHBondContact SG-OE1 3.06Å; I627-E631 HydrophobicContact CG2-CG 4.25Å; I627-E631 PolarHBondContact O-N 2.71Å; I627-E631 VanDerWaalsContact O-N 3.13Å; E631-S634 WeakPolarHBondContact CA-OG 3.48Å; E631-S634 PolarHBondContact O-OG 2.95Å; E631-S634 VanDerWaalsContact O-OG 3.11Å; E631-V635 VanDerWaalsContact O-CG2 3.3Å; E631-V635 WeakPolarHBondContact O-CG2 3.09Å; E631-Y747 HydrophobicContact CB-CD1 4.49Å; E631-Y747 HydrophobicContact CB-CE1 4.24Å; E631-Y747 HydrophobicContact CG-CE1 4.4Å; E631-Y747 WeakPolarHBondContact OE2-CE1 3.38Å; E631-K750 IonicContact OE2-NZ 3.73Å; E631-K750 PolarHBondContact OE2-NZ 3.47Å |
| 632 | L | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -99.1 | -60.3 | -175 | -57.9 | -145.9 | 0 | 0 | 0 | 111.3 | S596 R597 Y628 V629 E630 S634 V635 L636 Y671 | S596-L632 WeakPolarHBondContact O-CD1 3.46Å; S596-L632 WeakPolarHBondContact OG-CA 3.46Å; R597-L632 HydrophobicContact CB-CD2 4.2Å; R597-L632 WeakPolarHBondContact O-CD2 3.41Å; Y628-L632 HydrophobicContact CE1-CD1 4.41Å; Y628-L632 WeakPolarHBondContact O-CD1 3.36Å; Y628-L632 WeakPolarHBondContact O-CD2 3.38Å; Y628-L632 WeakPolarHBondContact O-CG 3.29Å; V629-L632 WeakPolarHBondContact O-CB 3.33Å; E630-L632 PolarHBondContact O-N 3.42Å; L632-S634 PolarHBondContact O-N 2.74Å; L632-V635 PolarHBondContact O-N 3.36Å; L632-L636 VanDerWaalsContact O-CB 3.25Å; L632-L636 WeakPolarHBondContact O-CB 3.37Å; L632-L636 PolarHBondContact O-N 3.33Å; L632-Y671 HydrophobicContact CB-CD2 3.39Å; L632-Y671 HydrophobicContact CB-CE2 3.95Å; L632-Y671 HydrophobicContact CB-CG 4.25Å; L632-Y671 HydrophobicContact CD1-CD2 3.51Å; L632-Y671 HydrophobicContact CD1-CG 4.15Å; L632-Y671 HydrophobicContact CG-CD2 3.93Å |
| 633 | L | 91.1 | Very high | 89.8 | Confident | 77 Ų | 77 | 34 Ų | 34 | 40% | 0.403 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -54.9 | -31.8 | 171.5 | -155.3 | 53.5 | 0 | 0 | 0 | 109.2 | L636 L637 | L633-L636 HydrophobicContact CD1-CD1 4.41Å; L633-L637 HydrophobicContact CD1-CD1 3.78Å; L633-L637 HydrophobicContact CD1-CG 4.09Å; L633-L637 HydrophobicContact CG-CD1 3.75Å; L633-L637 HydrophobicContact CG-CG 4.38Å; L633-L637 WeakPolarHBondContact O-CB 3.31Å; L633-L637 WeakPolarHBondContact O-CG 3.32Å; L633-L637 PolarHBondContact O-N 2.69Å |
| 634 | S | 88.4 | Confident | 89.4 | Confident | 21 Ų | 21 | 34.3 Ų | 34.3 | 15% | 0.147 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -52.4 | 171.1 | 78.3 | 0 | 0 | 0 | 0 | 113.5 | E630 E631 L632 G638 L738 H740 | E630-S634 PolarHBondContact O-N 3.49Å; E631-S634 WeakPolarHBondContact CA-OG 3.48Å; E631-S634 PolarHBondContact O-OG 2.95Å; E631-S634 VanDerWaalsContact O-OG 3.11Å; L632-S634 PolarHBondContact O-N 2.74Å; S634-G638 PolarHBondContact O-N 3.33Å; S634-L738 VanDerWaalsContact O-CD1 3.32Å; S634-L738 WeakPolarHBondContact O-CD1 3.25Å; S634-H740 WeakPolarHBondContact CB-NE2 3.3Å; S634-H740 PolarHBondContact OG-CE1 3.41Å; S634-H740 VanDerWaalsContact OG-CE1 3.25Å; S634-H740 PolarHBondContact OG-NE2 3.33Å |
| 635 | V | 89.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.1 | -45.7 | 178.8 | 176.3 | 0 | 0 | 0 | 0 | 111.5 | E595 S596 E631 L632 L637 Y639 R640 L744 Y747 | E595-V635 VanDerWaalsContact OE2-CG1 3.3Å; E595-V635 WeakPolarHBondContact OE2-CG1 3.48Å; S596-V635 WeakPolarHBondContact OG-CB 3.41Å; E631-V635 VanDerWaalsContact O-CG2 3.3Å; E631-V635 WeakPolarHBondContact O-CG2 3.09Å; L632-V635 PolarHBondContact O-N 3.36Å; V635-L637 PolarHBondContact O-N 2.6Å; V635-Y639 WeakPolarHBondContact O-CB 3.37Å; V635-Y639 PolarHBondContact O-N 2.86Å; V635-Y639 VanDerWaalsContact O-N 3.12Å; V635-R640 PolarHBondContact O-N 3.48Å; V635-L744 HydrophobicContact CG1-CD1 4.13Å; V635-Y747 HydrophobicContact CG2-CD1 3.98Å; V635-Y747 HydrophobicContact CG2-CG 4.19Å |
| 636 | L | 90.1 | Very high | 88.2 | Confident | 32 Ų | 32 | 42 Ų | 42 | 17% | 0.168 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -47.4 | -55.8 | 173.6 | -118 | 162.1 | 0 | 0 | 0 | 111.6 | Q594 E595 L632 L633 R640 A641 Y671 | Q594-L636 WeakPolarHBondContact O-CD2 3.48Å; E595-L636 HydrophobicContact CB-CG 3.99Å; E595-L636 WeakPolarHBondContact O-CD1 3.37Å; E595-L636 WeakPolarHBondContact O-CG 3.48Å; L632-L636 VanDerWaalsContact O-CB 3.25Å; L632-L636 WeakPolarHBondContact O-CB 3.37Å; L632-L636 PolarHBondContact O-N 3.33Å; L633-L636 HydrophobicContact CD1-CD1 4.41Å; L636-R640 CarbonylContact O-C 3.57Å; L636-R640 PolarHBondContact O-N 2.95Å; L636-A641 PolarHBondContact O-N 2.95Å; L636-Y671 HydrophobicContact CD1-CD1 3.63Å; L636-Y671 HydrophobicContact CD1-CD2 4.47Å; L636-Y671 HydrophobicContact CD1-CE1 3.96Å; L636-Y671 HydrophobicContact CD1-CG 3.92Å |
| 637 | L | 86.4 | Confident | 87.5 | Confident | 96 Ų | 96 | 42 Ų | 42 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -87.2 | -50.5 | -168.2 | -60.4 | 177.8 | 0 | 0 | 0 | 110.8 | L633 V635 E642 | L633-L637 HydrophobicContact CD1-CD1 3.78Å; L633-L637 HydrophobicContact CD1-CG 4.09Å; L633-L637 HydrophobicContact CG-CD1 3.75Å; L633-L637 HydrophobicContact CG-CG 4.38Å; L633-L637 WeakPolarHBondContact O-CB 3.31Å; L633-L637 WeakPolarHBondContact O-CG 3.32Å; L633-L637 PolarHBondContact O-N 2.69Å; V635-L637 PolarHBondContact O-N 2.6Å; L637-E642 WeakPolarHBondContact O-CG 3.48Å; L637-E642 PolarHBondContact O-N 2.9Å |
| 638 | G | 81.5 | Confident | 86.7 | Confident | 7 Ų | 7 | 41 Ų | 41 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -84.3 | -13.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | S634 C734 | S634-G638 PolarHBondContact O-N 3.33Å; G638-C734 VanDerWaalsContact O-CB 3.26Å; G638-C734 WeakPolarHBondContact O-CB 3.49Å; G638-C734 PolarHBondContact O-SG 3.36Å |
| 639 | Y | 84.8 | Confident | 85.7 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.027 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -113.5 | -56.4 | 167.2 | -69.2 | -85.7 | 0 | 0 | 0 | 111.7 | V635 M643 F729 C734 L738 H740 L744 | V635-Y639 WeakPolarHBondContact O-CB 3.37Å; V635-Y639 PolarHBondContact O-N 2.86Å; V635-Y639 VanDerWaalsContact O-N 3.12Å; Y639-M643 PolarHBondContact O-N 3.31Å; Y639-F729 HydrophobicContact CD1-CD1 4.16Å; Y639-F729 HydrophobicContact CD1-CE1 4.38Å; Y639-F729 HydrophobicContact CE1-CD1 4.42Å; Y639-C734 HydrophobicContact CE1-CB 4.41Å; Y639-L738 HydrophobicContact CD2-CD1 3.74Å; Y639-L738 HydrophobicContact CE2-CD1 3.53Å; Y639-H740 AromaticContact CE2-ND1 3.73Å; Y639-L744 HydrophobicContact CD1-CD1 4.2Å; Y639-L744 HydrophobicContact CD1-CD2 3.79Å; Y639-L744 HydrophobicContact CD1-CG 4.39Å; Y639-L744 HydrophobicContact CD2-CD1 3.9Å; Y639-L744 HydrophobicContact CE1-CB 4.22Å; Y639-L744 HydrophobicContact CE1-CD1 4.49Å; Y639-L744 HydrophobicContact CE1-CD2 4.29Å; Y639-L744 HydrophobicContact CE2-CD1 4.21Å; Y639-L744 HydrophobicContact CG-CD1 3.88Å; Y639-L744 HydrophobicContact CG-CD2 4.12Å |
| 640 | R | 88 | Confident | 84.8 | Confident | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.011 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -75.6 | -46.5 | -168.8 | -167.7 | 171.1 | 172.1 | -74.1 | -3.5 | 113.2 | Y593 Q594 E595 V635 L636 E642 M643 K660 D661 F664 | Y593-R640 VanDerWaalsContact CZ-NH2 3.28Å; Q594-R640 WeakPolarHBondContact O-CD 3.04Å; Q594-R640 PolarHBondContact O-NH1 3.28Å; E595-R640 HydrophobicContact CG-CB 4.01Å; E595-R640 HydrophobicContact CG-CG 4.19Å; V635-R640 PolarHBondContact O-N 3.48Å; L636-R640 CarbonylContact O-C 3.57Å; L636-R640 PolarHBondContact O-N 2.95Å; R640-E642 VanDerWaalsContact C-N 3.32Å; R640-E642 PolarHBondContact O-N 3.27Å; R640-M643 WeakPolarHBondContact O-CB 3.39Å; R640-M643 PolarHBondContact O-N 2.94Å; R640-K660 HydrophobicContact CG-CD 4.33Å; R640-K660 HydrophobicContact CG-CG 4.21Å; R640-K660 WeakPolarHBondContact O-CE 3.32Å; R640-K660 PolarHBondContact O-NZ 3.12Å; R640-D661 IonicContact CZ-OD1 2.75Å; R640-D661 IonicContact NE-OD1 2.69Å; R640-D661 IonicContact NH2-OD1 2.81Å; R640-D661 PolarHBondContact NH2-OD1 3.42Å; R640-F664 HydrophobicContact CB-CD2 4.2Å; R640-F664 HydrophobicContact CB-CE2 3.73Å; R640-F664 HydrophobicContact CB-CZ 3.99Å; R640-F664 VanDerWaalsContact CD-CD2 3.43Å; R640-F664 HydrophobicContact CG-CD2 3.64Å; R640-F664 HydrophobicContact CG-CE2 3.5Å; R640-F664 HydrophobicContact CG-CG 4.5Å; R640-F664 HydrophobicContact CG-CZ 4.27Å |
| 641 | A | 85.8 | Confident | 84 | Confident | 44 Ų | 44 | 42.8 Ų | 42.8 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -65.9 | -36.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L636 M643 D644 | L636-A641 PolarHBondContact O-N 2.95Å; A641-M643 PolarHBondContact O-N 3.36Å; A641-M643 VanDerWaalsContact O-N 3.15Å; A641-D644 PolarHBondContact O-N 3.18Å |
| 642 | E | 84 | Confident | 83.4 | Confident | 27 Ų | 27 | 41.2 Ų | 41.2 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -60 | -21 | 173.6 | -70.8 | -78.3 | -151.5 | 0 | 0 | 113.6 | L637 R640 D644 N645 L648 F728 K737 | L637-E642 WeakPolarHBondContact O-CG 3.48Å; L637-E642 PolarHBondContact O-N 2.9Å; R640-E642 VanDerWaalsContact C-N 3.32Å; R640-E642 PolarHBondContact O-N 3.27Å; E642-D644 PolarHBondContact O-N 3.06Å; E642-N645 WeakPolarHBondContact O-CB 3.38Å; E642-N645 PolarHBondContact O-N 3.39Å; E642-N645 WeakPolarHBondContact OE2-CB 3.33Å; E642-N645 PolarHBondContact OE2-ND2 3.05Å; E642-L648 HydrophobicContact CB-CD1 3.91Å; E642-L648 HydrophobicContact CG-CD1 4.4Å; E642-L648 WeakPolarHBondContact OE2-CD1 3.4Å; E642-F728 HydrophobicContact CB-CZ 4.32Å; E642-K737 IonicContact OE1-NZ 2.66Å; E642-K737 PolarHBondContact OE1-NZ 3.16Å |
| 643 | M | 84.8 | Confident | 82.9 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -67.5 | -17.1 | 170.7 | -76 | -174.8 | 65.6 | 0 | 0 | 114.4 | Y639 R640 A641 L652 L656 K660 F664 F728 | Y639-M643 PolarHBondContact O-N 3.31Å; R640-M643 WeakPolarHBondContact O-CB 3.39Å; R640-M643 PolarHBondContact O-N 2.94Å; A641-M643 PolarHBondContact O-N 3.36Å; A641-M643 VanDerWaalsContact O-N 3.15Å; M643-L652 HydrophobicContact CB-CD1 4.29Å; M643-L652 HydrophobicContact CE-CD2 4.2Å; M643-L652 HydrophobicContact CG-CD1 4.45Å; M643-L652 HydrophobicContact CG-CD2 4.15Å; M643-L652 VanDerWaalsContact O-CD1 3.28Å; M643-L652 WeakPolarHBondContact O-CD1 3.24Å; M643-L656 HydrophobicContact CE-CG 4.02Å; M643-K660 HydrophobicContact CB-CD 4.28Å; M643-K660 HydrophobicContact CE-CB 4.12Å; M643-K660 HydrophobicContact CE-CD 4.49Å; M643-K660 HydrophobicContact CE-CG 4.11Å; M643-K660 HydrophobicContact SD-CG 4.09Å; M643-F664 HydrophobicContact SD-CE2 3.55Å; M643-F664 VanDerWaalsContact SD-CE2 3.55Å; M643-F664 HydrophobicContact SD-CZ 4.18Å; M643-F728 HydrophobicContact CB-CZ 4.25Å; M643-F728 HydrophobicContact CG-CD1 4.46Å; M643-F728 HydrophobicContact CG-CE1 3.5Å; M643-F728 VanDerWaalsContact CG-CE1 3.5Å; M643-F728 HydrophobicContact CG-CE2 4.3Å; M643-F728 HydrophobicContact CG-CZ 3.4Å; M643-F728 VanDerWaalsContact CG-CZ 3.4Å; M643-F728 HydrophobicContact SD-CE1 4.41Å |
| 644 | D | 83.9 | Confident | 82.4 | Confident | 80 Ų | 80 | 43.7 Ų | 43.7 | 43% | 0.428 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -99 | -7.9 | 174.4 | -52.6 | -37.8 | 0 | 0 | 0 | 112.7 | Y593 A641 E642 P646 K660 | Y593-D644 VanDerWaalsContact CE1-OD2 3.24Å; Y593-D644 WeakPolarHBondContact CE1-OD2 3.31Å; Y593-D644 VanDerWaalsContact OH-CG 3.29Å; Y593-D644 PolarHBondContact OH-OD1 3.36Å; Y593-D644 PolarHBondContact OH-OD2 2.91Å; A641-D644 PolarHBondContact O-N 3.18Å; E642-D644 PolarHBondContact O-N 3.06Å; D644-P646 VanDerWaalsContact O-CD 3.25Å; D644-P646 WeakPolarHBondContact O-CD 3.47Å; D644-P646 VanDerWaalsContact O-N 3.16Å; D644-K660 IonicContact OD1-NZ 2.8Å; D644-K660 PolarHBondContact OD1-NZ 2.87Å; D644-K660 IonicContact OD2-NZ 2.81Å; D644-K660 PolarHBondContact OD2-NZ 3.31Å |
| 645 | N | 83 | Confident | 82 | Confident | 52 Ų | 52 | 47.1 Ų | 47.1 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | trans | -60.6 | 118.4 | -176.9 | -176.9 | -16.6 | 0 | 0 | 0 | 109.8 | E642 A647 L648 S649 | E642-N645 WeakPolarHBondContact O-CB 3.38Å; E642-N645 PolarHBondContact O-N 3.39Å; E642-N645 WeakPolarHBondContact OE2-CB 3.33Å; E642-N645 PolarHBondContact OE2-ND2 3.05Å; N645-A647 PolarHBondContact O-N 3.41Å; N645-A647 VanDerWaalsContact O-N 3.07Å; N645-A647 WeakPolarHBondContact OD1-CB 3.05Å; N645-A647 PolarHBondContact OD1-N 2.78Å; N645-L648 HydrophobicContact CB-CB 4.27Å; N645-L648 HydrophobicContact CB-CD1 4.25Å; N645-L648 HydrophobicContact CB-CG 4.21Å; N645-L648 PolarHBondContact O-N 3.22Å; N645-S649 PolarHBondContact O-N 3.35Å | ||
| 646 | P | 80.9 | Confident | 81.6 | Confident | 116 Ų | 116 | 47.1 Ų | 47.1 | 75% | 0.753 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -28.9 | -179 | -27.4 | 36.4 | 0 | 0 | 0 | 113.7 | D644 | D644-P646 VanDerWaalsContact O-CD 3.25Å; D644-P646 WeakPolarHBondContact O-CD 3.47Å; D644-P646 VanDerWaalsContact O-N 3.16Å |
| 647 | A | 76.8 | Confident | 81.2 | Confident | 84 Ų | 84 | 50.1 Ų | 50.1 | 69% | 0.694 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -33.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N645 | N645-A647 PolarHBondContact O-N 3.41Å; N645-A647 VanDerWaalsContact O-N 3.07Å; N645-A647 WeakPolarHBondContact OD1-CB 3.05Å; N645-A647 PolarHBondContact OD1-N 2.78Å |
| 648 | L | 75.6 | Confident | 81 | Confident | 17 Ų | 17 | 50 Ų | 50 | 9% | 0.089 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -11.6 | -179.7 | -59.3 | -179.7 | 0 | 0 | 0 | 113 | E642 N645 G650 L651 F728 | E642-L648 HydrophobicContact CB-CD1 3.91Å; E642-L648 HydrophobicContact CG-CD1 4.4Å; E642-L648 WeakPolarHBondContact OE2-CD1 3.4Å; N645-L648 HydrophobicContact CB-CB 4.27Å; N645-L648 HydrophobicContact CB-CD1 4.25Å; N645-L648 HydrophobicContact CB-CG 4.21Å; N645-L648 PolarHBondContact O-N 3.22Å; L648-G650 PolarHBondContact O-N 2.89Å; L648-G650 VanDerWaalsContact O-N 3.09Å; L648-L651 HydrophobicContact CD2-CD1 4.26Å; L648-L651 WeakPolarHBondContact O-CB 3.31Å; L648-L651 PolarHBondContact O-N 3.29Å; L648-F728 HydrophobicContact CB-CD2 4.36Å; L648-F728 HydrophobicContact CB-CE2 4.15Å; L648-F728 HydrophobicContact CD1-CE2 3.98Å |
| 649 | S | 75.6 | Confident | 81.3 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 32% | 0.315 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -51.4 | -35.7 | 179.9 | -170.8 | 0 | 0 | 0 | 0 | 113.4 | N645 L651 L652 R657 | N645-S649 PolarHBondContact O-N 3.35Å; S649-L651 PolarHBondContact O-N 2.99Å; S649-L652 PolarHBondContact O-N 3.27Å; S649-R657 PolarHBondContact O-NH2 3.42Å; S649-R657 PolarHBondContact OG-NH2 3.03Å |
| 650 | G | 75.6 | Confident | 81.4 | Confident | 80 Ų | 80 | 53.2 Ų | 53.2 | 83% | 0.825 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -66.6 | -17.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L648 | L648-G650 PolarHBondContact O-N 2.89Å; L648-G650 VanDerWaalsContact O-N 3.09Å |
| 651 | L | 74.5 | Confident | 81.4 | Confident | 68 Ų | 68 | 56.7 Ų | 56.7 | 36% | 0.356 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -96.2 | -6.5 | 179.5 | -58.4 | 176 | 0 | 0 | 0 | 113.2 | L648 S649 F728 M731 | L648-L651 HydrophobicContact CD2-CD1 4.26Å; L648-L651 WeakPolarHBondContact O-CB 3.31Å; L648-L651 PolarHBondContact O-N 3.29Å; S649-L651 PolarHBondContact O-N 2.99Å; L651-F728 HydrophobicContact CB-CB 4.48Å; L651-M731 HydrophobicContact CD1-SD 3.53Å; L651-M731 VanDerWaalsContact CD1-SD 3.53Å |
| 652 | L | 79.2 | Confident | 81.6 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -99.3 | 118.3 | -173 | -78.2 | 161.1 | 0 | 0 | 0 | 112 | M643 S649 L656 R657 F728 | M643-L652 HydrophobicContact CB-CD1 4.29Å; M643-L652 HydrophobicContact CE-CD2 4.2Å; M643-L652 HydrophobicContact CG-CD1 4.45Å; M643-L652 HydrophobicContact CG-CD2 4.15Å; M643-L652 VanDerWaalsContact O-CD1 3.28Å; M643-L652 WeakPolarHBondContact O-CD1 3.24Å; S649-L652 PolarHBondContact O-N 3.27Å; L652-L656 HydrophobicContact CD2-CD2 4Å; L652-R657 PolarHBondContact O-NH2 3.35Å; L652-F728 HydrophobicContact CD1-CD2 3.99Å; L652-F728 HydrophobicContact CD1-CE2 3.95Å; L652-F728 HydrophobicContact CD2-CB 3.85Å; L652-F728 HydrophobicContact CD2-CD1 3.65Å; L652-F728 HydrophobicContact CD2-CD2 3.61Å; L652-F728 HydrophobicContact CD2-CE1 4.07Å; L652-F728 HydrophobicContact CD2-CE2 4.03Å; L652-F728 HydrophobicContact CD2-CG 3.4Å; L652-F728 VanDerWaalsContact CD2-CG 3.4Å; L652-F728 HydrophobicContact CD2-CZ 4.25Å; L652-F728 HydrophobicContact CG-CB 4.26Å; L652-F728 HydrophobicContact CG-CD2 3.65Å; L652-F728 HydrophobicContact CG-CE2 4.12Å; L652-F728 HydrophobicContact CG-CG 3.92Å |
| 653 | P | 82.5 | Confident | 81.9 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 23% | 0.234 | 34% | 0.344 | C | S | . | . | trans | -55.1 | 133.9 | 170.6 | -26.3 | 34.6 | 0 | 0 | 0 | 110.6 | I655 L656 R657 F723 C726 | P653-I655 PolarHBondContact O-N 3.15Å; P653-I655 VanDerWaalsContact O-N 3.14Å; P653-L656 HydrophobicContact CB-CB 4.18Å; P653-L656 WeakPolarHBondContact O-CB 3.42Å; P653-L656 PolarHBondContact O-N 3.27Å; P653-R657 PolarHBondContact O-N 3.48Å; P653-F723 HydrophobicContact CB-CD1 4.48Å; P653-F723 HydrophobicContact CB-CE1 4.12Å; P653-F723 HydrophobicContact CG-CD1 4.18Å; P653-F723 HydrophobicContact CG-CE1 4.26Å; P653-C726 WeakPolarHBondContact CD-SG 3.42Å | ||
| 654 | P | 79 | Confident | 82.3 | Confident | 93 Ų | 93 | 56.4 Ų | 56.4 | 60% | 0.604 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -54.7 | -36.1 | -179.3 | -28.5 | 35.6 | 0 | 0 | 0 | 113.7 | L656 R657 S658 | P654-L656 VanDerWaalsContact C-N 3.34Å; P654-L656 PolarHBondContact O-N 3.06Å; P654-R657 PolarHBondContact O-N 3.04Å; P654-S658 PolarHBondContact O-N 2.97Å; P654-S658 PolarHBondContact O-OG 3.43Å |
| 655 | I | 80.1 | Confident | 82.7 | Confident | 93 Ų | 93 | 53.3 Ų | 53.3 | 48% | 0.477 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.9 | -37 | 177.4 | -59.4 | 171.8 | 0 | 0 | 0 | 111.8 | P653 S658 K659 F723 | P653-I655 PolarHBondContact O-N 3.15Å; P653-I655 VanDerWaalsContact O-N 3.14Å; I655-S658 PolarHBondContact O-OG 2.7Å; I655-K659 HydrophobicContact CG2-CD 4.15Å; I655-K659 WeakPolarHBondContact O-CB 3.36Å; I655-K659 VanDerWaalsContact O-CG 3.22Å; I655-K659 WeakPolarHBondContact O-CG 3.33Å; I655-K659 PolarHBondContact O-N 3.39Å; I655-F723 HydrophobicContact CB-CZ 4.31Å; I655-F723 HydrophobicContact CG2-CE2 4.35Å; I655-F723 HydrophobicContact CG2-CZ 4.12Å |
| 656 | L | 82.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -74.6 | -43.4 | 177.4 | -176 | 66.4 | 0 | 0 | 0 | 110.4 | M643 L652 P653 P654 S658 K659 K660 L663 L719 F723 F729 | M643-L656 HydrophobicContact CE-CG 4.02Å; L652-L656 HydrophobicContact CD2-CD2 4Å; P653-L656 HydrophobicContact CB-CB 4.18Å; P653-L656 WeakPolarHBondContact O-CB 3.42Å; P653-L656 PolarHBondContact O-N 3.27Å; P654-L656 VanDerWaalsContact C-N 3.34Å; P654-L656 PolarHBondContact O-N 3.06Å; L656-S658 VanDerWaalsContact C-N 3.28Å; L656-S658 PolarHBondContact O-N 2.83Å; L656-K659 CarbonylContact O-C 3.08Å; L656-K659 PolarHBondContact O-N 3.39Å; L656-K660 PolarHBondContact O-N 2.78Å; L656-L663 HydrophobicContact CD1-CD2 4.35Å; L656-L719 HydrophobicContact CD1-CD2 4.47Å; L656-L719 HydrophobicContact CD1-CG 4.44Å; L656-F723 HydrophobicContact CD1-CB 4.28Å; L656-F723 HydrophobicContact CD1-CD2 4.31Å; L656-F723 HydrophobicContact CD1-CG 4.34Å; L656-F723 HydrophobicContact CD2-CB 4.43Å; L656-F729 HydrophobicContact CD1-CE2 4.39Å; L656-F729 HydrophobicContact CD2-CE2 3.62Å; L656-F729 HydrophobicContact CD2-CZ 4Å |
| 657 | R | 80.1 | Confident | 83.9 | Confident | 95 Ų | 95 | 46.4 Ų | 46.4 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.2 | -39.1 | 177 | -160.5 | -172.2 | -61.1 | 108.4 | 3.4 | 112 | S649 L652 P653 P654 K659 | S649-R657 PolarHBondContact O-NH2 3.42Å; S649-R657 PolarHBondContact OG-NH2 3.03Å; L652-R657 PolarHBondContact O-NH2 3.35Å; P653-R657 PolarHBondContact O-N 3.48Å; P654-R657 PolarHBondContact O-N 3.04Å; R657-K659 VanDerWaalsContact C-N 3.33Å |
| 658 | S | 82.8 | Confident | 84.7 | Confident | 93 Ų | 93 | 43.3 Ų | 43.3 | 65% | 0.65 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -3.1 | 176.6 | 63 | 0 | 0 | 0 | 0 | 115.2 | P654 I655 L656 | P654-S658 PolarHBondContact O-N 2.97Å; P654-S658 PolarHBondContact O-OG 3.43Å; I655-S658 PolarHBondContact O-OG 2.7Å; L656-S658 VanDerWaalsContact C-N 3.28Å; L656-S658 PolarHBondContact O-N 2.83Å |
| 659 | K | 88.4 | Confident | 85.6 | Confident | 77 Ų | 77 | 46.3 Ų | 46.3 | 34% | 0.335 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 19 | -179.1 | -69.2 | -175.9 | 177.6 | -176.7 | 0 | 112.8 | I655 L656 R657 D661 I662 L663 L719 | I655-K659 HydrophobicContact CG2-CD 4.15Å; I655-K659 WeakPolarHBondContact O-CB 3.36Å; I655-K659 VanDerWaalsContact O-CG 3.22Å; I655-K659 WeakPolarHBondContact O-CG 3.33Å; I655-K659 PolarHBondContact O-N 3.39Å; L656-K659 CarbonylContact O-C 3.08Å; L656-K659 PolarHBondContact O-N 3.39Å; R657-K659 VanDerWaalsContact C-N 3.33Å; K659-D661 VanDerWaalsContact C-N 3.31Å; K659-D661 PolarHBondContact O-N 3.36Å; K659-I662 HydrophobicContact CB-CB 4.41Å; K659-I662 HydrophobicContact CB-CD1 4.41Å; K659-I662 HydrophobicContact CG-CD1 4.19Å; K659-I662 WeakPolarHBondContact O-CA 3.42Å; K659-I662 WeakPolarHBondContact O-CB 3.49Å; K659-I662 PolarHBondContact O-N 2.91Å; K659-L663 PolarHBondContact O-N 3.04Å; K659-L719 HydrophobicContact CB-CD1 4.42Å; K659-L719 HydrophobicContact CB-CD2 3.66Å; K659-L719 HydrophobicContact CD-CD1 3.76Å; K659-L719 HydrophobicContact CD-CD2 4.28Å |
| 660 | K | 87.3 | Confident | 86.6 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -46.4 | -53.4 | 178.8 | -172 | 172.6 | -173.4 | 167.6 | 0 | 111.8 | Y593 R640 M643 D644 L656 I662 L663 F664 | Y593-K660 VanDerWaalsContact OH-CD 3.3Å; Y593-K660 WeakPolarHBondContact OH-CD 3.31Å; Y593-K660 VanDerWaalsContact OH-CE 3.31Å; Y593-K660 WeakPolarHBondContact OH-CE 3.35Å; Y593-K660 PolarHBondContact OH-NZ 3.48Å; R640-K660 HydrophobicContact CG-CD 4.33Å; R640-K660 HydrophobicContact CG-CG 4.21Å; R640-K660 WeakPolarHBondContact O-CE 3.32Å; R640-K660 PolarHBondContact O-NZ 3.12Å; M643-K660 HydrophobicContact CB-CD 4.28Å; M643-K660 HydrophobicContact CE-CB 4.12Å; M643-K660 HydrophobicContact CE-CD 4.49Å; M643-K660 HydrophobicContact CE-CG 4.11Å; M643-K660 HydrophobicContact SD-CG 4.09Å; D644-K660 IonicContact OD1-NZ 2.8Å; D644-K660 PolarHBondContact OD1-NZ 2.87Å; D644-K660 IonicContact OD2-NZ 2.81Å; D644-K660 PolarHBondContact OD2-NZ 3.31Å; L656-K660 PolarHBondContact O-N 2.78Å; K660-I662 PolarHBondContact O-N 3.39Å; K660-L663 WeakPolarHBondContact O-CB 3.18Å; K660-L663 PolarHBondContact O-N 3.47Å; K660-F664 HydrophobicContact CG-CD2 3.9Å; K660-F664 HydrophobicContact CG-CE2 4.16Å; K660-F664 VanDerWaalsContact O-CB 3.28Å; K660-F664 WeakPolarHBondContact O-CB 3.37Å; K660-F664 WeakPolarHBondContact O-CD2 3.25Å; K660-F664 WeakPolarHBondContact O-CG 3.36Å; K660-F664 PolarHBondContact O-N 2.95Å |
| 661 | D | 88.4 | Confident | 87.5 | Confident | 76 Ų | 76 | 42.3 Ų | 42.3 | 41% | 0.406 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -74.1 | -10.5 | -176 | -43.7 | -64.1 | 0 | 0 | 0 | 113.2 | R640 K659 G665 | R640-D661 IonicContact CZ-OD1 2.75Å; R640-D661 IonicContact NE-OD1 2.69Å; R640-D661 IonicContact NH2-OD1 2.81Å; R640-D661 PolarHBondContact NH2-OD1 3.42Å; K659-D661 VanDerWaalsContact C-N 3.31Å; K659-D661 PolarHBondContact O-N 3.36Å; D661-G665 VanDerWaalsContact O-CA 3.31Å; D661-G665 WeakPolarHBondContact O-CA 3.31Å; D661-G665 PolarHBondContact O-N 3.48Å |
| 662 | I | 89.6 | Confident | 88.4 | Confident | 67 Ų | 67 | 41.4 Ų | 41.4 | 34% | 0.344 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -88.2 | -39.8 | 170.1 | -56.4 | 177.7 | 0 | 0 | 0 | 111.2 | K659 K660 F664 N712 R715 S716 L719 | K659-I662 HydrophobicContact CB-CB 4.41Å; K659-I662 HydrophobicContact CB-CD1 4.41Å; K659-I662 HydrophobicContact CG-CD1 4.19Å; K659-I662 WeakPolarHBondContact O-CA 3.42Å; K659-I662 WeakPolarHBondContact O-CB 3.49Å; K659-I662 PolarHBondContact O-N 2.91Å; K660-I662 PolarHBondContact O-N 3.39Å; I662-F664 PolarHBondContact O-N 2.92Å; I662-N712 PolarHBondContact O-ND2 2.76Å; I662-R715 HydrophobicContact CG2-CB 3.85Å; I662-S716 VanDerWaalsContact O-CA 3.26Å; I662-S716 WeakPolarHBondContact O-CA 3.28Å; I662-S716 WeakPolarHBondContact O-CB 3.32Å; I662-S716 PolarHBondContact O-N 3.37Å; I662-L719 HydrophobicContact CB-CD2 4.36Å; I662-L719 HydrophobicContact CG2-CD2 4.42Å |
| 663 | L | 90.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.8 | -33.7 | 171.5 | 177.2 | 60.7 | 0 | 0 | 0 | 110.7 | L656 K659 K660 S716 L719 W720 F729 L748 | L656-L663 HydrophobicContact CD1-CD2 4.35Å; K659-L663 PolarHBondContact O-N 3.04Å; K660-L663 WeakPolarHBondContact O-CB 3.18Å; K660-L663 PolarHBondContact O-N 3.47Å; L663-S716 WeakPolarHBondContact O-CB 3.38Å; L663-S716 PolarHBondContact O-OG 2.84Å; L663-L719 HydrophobicContact CB-CD2 3.86Å; L663-W720 HydrophobicContact CD1-CB 4.21Å; L663-W720 HydrophobicContact CD1-CE3 4.24Å; L663-F729 HydrophobicContact CD2-CE1 4.36Å; L663-F729 HydrophobicContact CD2-CE2 4.49Å; L663-F729 HydrophobicContact CD2-CZ 3.63Å; L663-L748 HydrophobicContact CD1-CD1 3.91Å; L663-L748 HydrophobicContact CG-CD1 4.26Å |
| 664 | F | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -109.9 | -57.1 | -161.9 | -72.8 | -46.5 | 0 | 0 | 0 | 111.6 | Q594 E595 R640 M643 K660 I662 Y709 L744 L748 | Q594-F664 VanDerWaalsContact CD-CB 3.44Å; Q594-F664 VanDerWaalsContact NE2-CB 3.25Å; Q594-F664 PolarHBondContact NE2-O 2.85Å; E595-F664 VanDerWaalsContact CD-CG 3.48Å; E595-F664 HydrophobicContact CG-CB 4.37Å; E595-F664 HydrophobicContact CG-CG 4.46Å; E595-F664 WeakPolarHBondContact OE1-CB 3.43Å; E595-F664 WeakPolarHBondContact OE1-CD1 3.36Å; E595-F664 WeakPolarHBondContact OE1-CG 3.32Å; E595-F664 WeakPolarHBondContact OE2-CD1 3.46Å; E595-F664 WeakPolarHBondContact OE2-CE1 3.39Å; E595-F664 WeakPolarHBondContact OE2-CG 3.33Å; R640-F664 HydrophobicContact CB-CD2 4.2Å; R640-F664 HydrophobicContact CB-CE2 3.73Å; R640-F664 HydrophobicContact CB-CZ 3.99Å; R640-F664 VanDerWaalsContact CD-CD2 3.43Å; R640-F664 HydrophobicContact CG-CD2 3.64Å; R640-F664 HydrophobicContact CG-CE2 3.5Å; R640-F664 HydrophobicContact CG-CG 4.5Å; R640-F664 HydrophobicContact CG-CZ 4.27Å; M643-F664 HydrophobicContact SD-CE2 3.55Å; M643-F664 VanDerWaalsContact SD-CE2 3.55Å; M643-F664 HydrophobicContact SD-CZ 4.18Å; K660-F664 HydrophobicContact CG-CD2 3.9Å; K660-F664 HydrophobicContact CG-CE2 4.16Å; K660-F664 VanDerWaalsContact O-CB 3.28Å; K660-F664 WeakPolarHBondContact O-CB 3.37Å; K660-F664 WeakPolarHBondContact O-CD2 3.25Å; K660-F664 WeakPolarHBondContact O-CG 3.36Å; K660-F664 PolarHBondContact O-N 2.95Å; I662-F664 PolarHBondContact O-N 2.92Å; F664-Y709 WeakPolarHBondContact O-CE2 3.47Å; F664-Y709 PolarHBondContact O-OH 2.74Å; F664-L744 HydrophobicContact CE1-CD1 4.49Å; F664-L744 HydrophobicContact CE1-CD2 4.04Å; F664-L744 HydrophobicContact CZ-CD2 4.35Å; F664-L748 HydrophobicContact CD1-CD1 4.48Å; F664-L748 HydrophobicContact CD1-CD2 3.77Å; F664-L748 HydrophobicContact CE1-CD2 4.06Å |
| 665 | G | 92.8 | Very high | 90.5 | Very high | 14 Ų | 14 | 36.7 Ų | 36.7 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | trans | 113.8 | -148.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q594 D661 M667 N712 | Q594-G665 VanDerWaalsContact CG-O 3.28Å; Q594-G665 WeakPolarHBondContact CG-O 3.49Å; Q594-G665 VanDerWaalsContact NE2-N 3.14Å; Q594-G665 PolarHBondContact NE2-O 3.46Å; Q594-G665 VanDerWaalsContact OE1-N 3.14Å; Q594-G665 PolarHBondContact OE1-O 3Å; D661-G665 VanDerWaalsContact O-CA 3.31Å; D661-G665 WeakPolarHBondContact O-CA 3.31Å; D661-G665 PolarHBondContact O-N 3.48Å; G665-M667 VanDerWaalsContact C-N 3.28Å; G665-M667 PolarHBondContact O-N 2.88Å; G665-N712 VanDerWaalsContact CA-ND2 3.32Å; G665-N712 WeakPolarHBondContact CA-ND2 3.44Å | ||
| 666 | N | 94.8 | Very high | 91.1 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -96.1 | 37.8 | 171.3 | 74.8 | -52.2 | 0 | 0 | 0 | 111.5 | P668 E669 M705 M708 Y709 | N666-P668 WeakPolarHBondContact O-CD 3.44Å; N666-E669 PolarHBondContact ND2-OE2 2.95Å; N666-E669 WeakPolarHBondContact O-CB 3.48Å; N666-M705 PolarHBondContact ND2-O 3.49Å; N666-M708 HydrophobicContact CB-CB 4.24Å; N666-Y709 WeakPolarHBondContact OD1-CA 3.33Å; N666-Y709 VanDerWaalsContact OD1-CB 3.26Å; N666-Y709 WeakPolarHBondContact OD1-CB 3.49Å; N666-Y709 WeakPolarHBondContact OD1-CD2 3.48Å; N666-Y709 PolarHBondContact OD1-N 3.46Å |
| 667 | M | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -76.5 | -8.6 | -166.3 | -132.8 | 159.1 | 77.6 | 0 | 0 | 116.6 | Q594 E595 S596 R597 G665 I670 Y671 Y709 L748 P751 | Q594-M667 HydrophobicContact CG-CB 4.21Å; E595-M667 CarbonylContact C-O 3.54Å; E595-M667 HydrophobicContact CB-CB 4.3Å; E595-M667 HydrophobicContact CB-CE 4.04Å; E595-M667 HydrophobicContact CG-CE 4.36Å; E595-M667 WeakPolarHBondContact OE1-CE 3.39Å; S596-M667 VanDerWaalsContact CA-CE 3.45Å; S596-M667 VanDerWaalsContact N-CG 3.3Å; S596-M667 PolarHBondContact N-O 2.88Å; R597-M667 HydrophobicContact CB-CE 4.16Å; R597-M667 VanDerWaalsContact CD-CE 3.45Å; R597-M667 HydrophobicContact CG-CE 3.64Å; R597-M667 HydrophobicContact CG-CG 4.38Å; R597-M667 HydrophobicContact CG-SD 3.61Å; R597-M667 VanDerWaalsContact NH1-CE 3.25Å; R597-M667 PolarHBondContact NH1-SD 2.84Å; G665-M667 VanDerWaalsContact C-N 3.28Å; G665-M667 PolarHBondContact O-N 2.88Å; M667-I670 HydrophobicContact CG-CD1 4.18Å; M667-I670 PolarHBondContact O-N 2.9Å; M667-Y671 PolarHBondContact O-N 2.78Å; M667-Y709 HydrophobicContact CB-CD2 4.03Å; M667-Y709 HydrophobicContact CB-CE2 3.79Å; M667-Y709 HydrophobicContact CG-CD2 3.68Å; M667-Y709 HydrophobicContact CG-CE2 3.49Å; M667-Y709 VanDerWaalsContact CG-CE2 3.49Å; M667-Y709 HydrophobicContact SD-CD2 3.95Å; M667-Y709 HydrophobicContact SD-CE1 4.49Å; M667-Y709 HydrophobicContact SD-CE2 3.19Å; M667-Y709 WeakPolarHBondContact SD-CE2 3.39Å; M667-Y709 VanDerWaalsContact SD-CZ 3.58Å; M667-L748 HydrophobicContact CE-CD2 4.12Å; M667-P751 HydrophobicContact SD-CG 4.31Å |
| 668 | P | 93.9 | Very high | 92.2 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 13% | 0.13 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -79.9 | -35.5 | -178.1 | 29.8 | -21 | 0 | 0 | 0 | 111.8 | Y593 Q594 N666 I670 Y671 N672 | Y593-P668 WeakPolarHBondContact O-CB 3.35Å; Y593-P668 WeakPolarHBondContact O-CG 3.29Å; Q594-P668 VanDerWaalsContact CA-CB 3.44Å; Q594-P668 HydrophobicContact CB-CG 4.27Å; Q594-P668 HydrophobicContact CG-CG 4.02Å; N666-P668 WeakPolarHBondContact O-CD 3.44Å; P668-I670 PolarHBondContact O-N 3.2Å; P668-Y671 PolarHBondContact O-N 3.34Å; P668-N672 WeakPolarHBondContact O-CB 3.46Å; P668-N672 PolarHBondContact O-N 3.31Å; P668-N672 PolarHBondContact O-ND2 3.4Å |
| 669 | E | 94.2 | Very high | 92.7 | Very high | 80 Ų | 80 | 34.7 Ų | 34.7 | 37% | 0.374 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -42.3 | -53.7 | 166.5 | -124.1 | -172.6 | 132.7 | 0 | 0 | 108 | N666 N672 F673 M705 M708 | N666-E669 PolarHBondContact ND2-OE2 2.95Å; N666-E669 WeakPolarHBondContact O-CB 3.48Å; E669-N672 PolarHBondContact O-N 2.83Å; E669-F673 WeakPolarHBondContact O-CB 3.42Å; E669-F673 PolarHBondContact O-N 3.23Å; E669-M705 HydrophobicContact CB-CE 3.75Å; E669-M705 HydrophobicContact CG-CE 3.79Å; E669-M708 WeakPolarHBondContact OE2-CE 3.41Å |
| 670 | I | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.4 | -57.2 | 177.4 | -47.4 | -175.1 | 0 | 0 | 0 | 110.3 | Y628 M667 P668 N672 F673 H674 M705 Y706 Y709 P751 | Y628-I670 HydrophobicContact CE1-CG2 4.12Å; Y628-I670 VanDerWaalsContact OH-CG2 3.3Å; Y628-I670 WeakPolarHBondContact OH-CG2 3.27Å; M667-I670 HydrophobicContact CG-CD1 4.18Å; M667-I670 PolarHBondContact O-N 2.9Å; P668-I670 PolarHBondContact O-N 3.2Å; I670-N672 VanDerWaalsContact C-N 3.32Å; I670-N672 PolarHBondContact O-N 3.38Å; I670-F673 PolarHBondContact O-N 3.05Å; I670-H674 VanDerWaalsContact O-CB 3.29Å; I670-H674 WeakPolarHBondContact O-CB 3.49Å; I670-H674 PolarHBondContact O-CD2 3.48Å; I670-H674 PolarHBondContact O-N 3.36Å; I670-M705 VanDerWaalsContact CA-SD 3.59Å; I670-M705 HydrophobicContact CB-SD 4.13Å; I670-M705 HydrophobicContact CG1-CG 4.08Å; I670-M705 HydrophobicContact CG1-SD 3.74Å; I670-Y706 HydrophobicContact CG2-CE1 4.49Å; I670-Y706 HydrophobicContact CG2-CE2 4.11Å; I670-Y709 HydrophobicContact CD1-CD2 3.77Å; I670-Y709 HydrophobicContact CD1-CG 3.84Å; I670-P751 HydrophobicContact CD1-CB 4.16Å; I670-P751 HydrophobicContact CD1-CG 4.48Å |
| 671 | Y | 95.7 | Very high | 93 | Very high | 41 Ų | 41 | 39.1 Ų | 39.1 | 16% | 0.161 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53.7 | -45.2 | 177.2 | 168.6 | -107.8 | 0 | 0 | 0 | 113.6 | E595 S596 V629 L632 L636 M667 P668 S675 | E595-Y671 WeakPolarHBondContact O-CB 3.45Å; S596-Y671 PolarHBondContact O-N 3.16Å; V629-Y671 HydrophobicContact CG1-CE2 4.09Å; L632-Y671 HydrophobicContact CB-CD2 3.39Å; L632-Y671 HydrophobicContact CB-CE2 3.95Å; L632-Y671 HydrophobicContact CB-CG 4.25Å; L632-Y671 HydrophobicContact CD1-CD2 3.51Å; L632-Y671 HydrophobicContact CD1-CG 4.15Å; L632-Y671 HydrophobicContact CG-CD2 3.93Å; L636-Y671 HydrophobicContact CD1-CD1 3.63Å; L636-Y671 HydrophobicContact CD1-CD2 4.47Å; L636-Y671 HydrophobicContact CD1-CE1 3.96Å; L636-Y671 HydrophobicContact CD1-CG 3.92Å; M667-Y671 PolarHBondContact O-N 2.78Å; P668-Y671 PolarHBondContact O-N 3.34Å; Y671-S675 WeakPolarHBondContact O-CB 3.11Å; Y671-S675 PolarHBondContact O-N 3.41Å; Y671-S675 PolarHBondContact O-OG 3.26Å |
| 672 | N | 93.9 | Very high | 93.1 | Very high | 49 Ų | 49 | 35.5 Ų | 35.5 | 26% | 0.262 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -73.9 | -38.6 | -175.9 | -73.8 | -71 | 0 | 0 | 0 | 112.3 | P668 E669 I670 R676 | P668-N672 WeakPolarHBondContact O-CB 3.46Å; P668-N672 PolarHBondContact O-N 3.31Å; P668-N672 PolarHBondContact O-ND2 3.4Å; E669-N672 PolarHBondContact O-N 2.83Å; I670-N672 VanDerWaalsContact C-N 3.32Å; I670-N672 PolarHBondContact O-N 3.38Å; N672-R676 WeakPolarHBondContact O-CB 3.12Å; N672-R676 VanDerWaalsContact O-CG 3.23Å; N672-R676 WeakPolarHBondContact O-CG 3.44Å; N672-R676 PolarHBondContact O-N 2.97Å; N672-R676 PolarHBondContact OD1-NE 2.94Å; N672-R676 PolarHBondContact OD1-NH2 3.49Å |
| 673 | F | 95.4 | Very high | 93.1 | Very high | 17 Ų | 17 | 35.9 Ų | 35.9 | 8% | 0.075 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -48.3 | 173.1 | 167.3 | -121.3 | 0 | 0 | 0 | 110.7 | E669 I670 V677 F678 L699 S702 F703 M705 | E669-F673 WeakPolarHBondContact O-CB 3.42Å; E669-F673 PolarHBondContact O-N 3.23Å; I670-F673 PolarHBondContact O-N 3.05Å; F673-V677 HydrophobicContact CD2-CB 4.11Å; F673-V677 HydrophobicContact CD2-CG1 4.47Å; F673-V677 HydrophobicContact CE2-CB 4.35Å; F673-V677 HydrophobicContact CE2-CG1 4.28Å; F673-V677 WeakPolarHBondContact O-CB 3.17Å; F673-V677 PolarHBondContact O-N 3.38Å; F673-V677 VanDerWaalsContact O-N 3.1Å; F673-F678 HydrophobicContact CE1-CB 4.25Å; F673-F678 HydrophobicContact CE2-CB 4.12Å; F673-F678 HydrophobicContact CZ-CB 3.9Å; F673-F678 HydrophobicContact CZ-CG 4.32Å; F673-F678 PolarHBondContact O-N 2.89Å; F673-L699 HydrophobicContact CE2-CB 4.31Å; F673-L699 HydrophobicContact CE2-CD1 4.14Å; F673-L699 HydrophobicContact CE2-CD2 4.28Å; F673-L699 HydrophobicContact CE2-CG 4.49Å; F673-L699 HydrophobicContact CZ-CB 4.13Å; F673-L699 HydrophobicContact CZ-CD1 4.27Å; F673-S702 VanDerWaalsContact CE2-CB 3.47Å; F673-F703 AromaticContact CE1-CD1 3.96Å; F673-F703 HydrophobicContact CE1-CD1 3.96Å; F673-F703 HydrophobicContact CE1-CD2 4.3Å; F673-F703 AromaticContact CE1-CE1 3.86Å; F673-F703 HydrophobicContact CE1-CE1 3.86Å; F673-F703 HydrophobicContact CE1-CE2 4.2Å; F673-F703 HydrophobicContact CE1-CG 4.18Å; F673-F703 AromaticContact CE1-CZ 3.97Å; F673-F703 HydrophobicContact CE1-CZ 3.97Å; F673-F703 HydrophobicContact CZ-CD2 4.19Å; F673-F703 HydrophobicContact CZ-CE1 4.38Å; F673-F703 AromaticContact CZ-CE2 3.94Å; F673-F703 HydrophobicContact CZ-CE2 3.94Å; F673-F703 HydrophobicContact CZ-CZ 4.03Å; F673-M705 HydrophobicContact CB-CE 3.71Å; F673-M705 HydrophobicContact CB-SD 4.08Å; F673-M705 HydrophobicContact CD1-CE 4.18Å; F673-M705 HydrophobicContact CD1-SD 3.71Å; F673-M705 HydrophobicContact CG-CE 4.11Å; F673-M705 HydrophobicContact CG-SD 4.22Å |
| 674 | H | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -66 | -44.8 | -179.5 | -76.5 | -86.4 | 0 | 0 | 0 | 112.1 | E625 Y628 V629 I670 F678 L679 F703 Y706 Y758 | E625-H674 IonicContact OE1-CE1 3.58Å; E625-H674 IonicContact OE1-CG 2.65Å; E625-H674 IonicContact OE1-ND1 2.66Å; E625-H674 PolarHBondContact OE1-ND1 2.96Å; Y628-H674 HydrophobicContact CD1-CB 4.19Å; Y628-H674 AromaticContact CD1-ND1 3.96Å; Y628-H674 HydrophobicContact CE1-CB 4.16Å; Y628-H674 AromaticContact CE1-CG 3.69Å; Y628-H674 AromaticContact CE1-ND1 3.86Å; V629-H674 HydrophobicContact CG2-CB 4.11Å; I670-H674 VanDerWaalsContact O-CB 3.29Å; I670-H674 WeakPolarHBondContact O-CB 3.49Å; I670-H674 PolarHBondContact O-CD2 3.48Å; I670-H674 PolarHBondContact O-N 3.36Å; H674-F678 AromaticContact CE1-CD1 3.57Å; H674-F678 AromaticContact ND1-CD1 3.46Å; H674-F678 WeakPolarHBondContact ND1-CD1 3.49Å; H674-L679 WeakPolarHBondContact O-CB 3.43Å; H674-L679 PolarHBondContact O-N 3.08Å; H674-F703 AromaticContact CE1-CE1 3.86Å; H674-Y706 PolarHBondContact CE1-OH 3.1Å; H674-Y706 AromaticContact NE2-CE2 3.55Å; H674-Y706 AromaticContact NE2-CZ 3.71Å; H674-Y706 PolarHBondContact NE2-OH 2.93Å; H674-Y758 AromaticContact CE1-CZ 3.98Å; H674-Y758 PolarHBondContact CE1-OH 3.22Å; H674-Y758 PolarHBondContact ND1-OH 3.29Å |
| 675 | S | 93.4 | Very high | 92.5 | Very high | 20 Ų | 20 | 39.5 Ų | 39.5 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -76.9 | -30.7 | -179.2 | 61.2 | 0 | 0 | 0 | 0 | 116 | Y671 | Y671-S675 WeakPolarHBondContact O-CB 3.11Å; Y671-S675 PolarHBondContact O-N 3.41Å; Y671-S675 PolarHBondContact O-OG 3.26Å |
| 676 | R | 91.3 | Very high | 92.1 | Very high | 165 Ų | 165 | 42 Ų | 42 | 62% | 0.623 | 22% | 0.22 | S | C | * | . | I | π-helix | trans | -105.4 | -14.7 | -172.3 | -53 | -179 | -169.4 | -148.8 | 6.2 | 114.9 | N672 Q680 | N672-R676 WeakPolarHBondContact O-CB 3.12Å; N672-R676 VanDerWaalsContact O-CG 3.23Å; N672-R676 WeakPolarHBondContact O-CG 3.44Å; N672-R676 PolarHBondContact O-N 2.97Å; N672-R676 PolarHBondContact OD1-NE 2.94Å; N672-R676 PolarHBondContact OD1-NH2 3.49Å; R676-Q680 PolarHBondContact O-NE2 3.38Å |
| 677 | V | 92.8 | Very high | 91.3 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 34% | 0.339 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -129.5 | -73.2 | -176.8 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | F673 L679 Q680 D681 L699 | F673-V677 HydrophobicContact CD2-CB 4.11Å; F673-V677 HydrophobicContact CD2-CG1 4.47Å; F673-V677 HydrophobicContact CE2-CB 4.35Å; F673-V677 HydrophobicContact CE2-CG1 4.28Å; F673-V677 WeakPolarHBondContact O-CB 3.17Å; F673-V677 PolarHBondContact O-N 3.38Å; F673-V677 VanDerWaalsContact O-N 3.1Å; V677-L679 PolarHBondContact O-N 3.29Å; V677-Q680 WeakPolarHBondContact O-CB 3.3Å; V677-Q680 PolarHBondContact O-N 3.26Å; V677-D681 WeakPolarHBondContact CG1-OD2 3.33Å; V677-D681 PolarHBondContact O-N 3.26Å; V677-L699 HydrophobicContact CG1-CD1 4.19Å; V677-L699 HydrophobicContact CG1-CD2 3.94Å |
| 678 | F | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -64.5 | -39.5 | -164.2 | -177.4 | -117.2 | 0 | 0 | 0 | 114.1 | E625 F673 H674 Q680 D681 L682 F696 L699 F703 Y758 | E625-F678 HydrophobicContact CG-CD1 4.34Å; F673-F678 HydrophobicContact CE1-CB 4.25Å; F673-F678 HydrophobicContact CE2-CB 4.12Å; F673-F678 HydrophobicContact CZ-CB 3.9Å; F673-F678 HydrophobicContact CZ-CG 4.32Å; F673-F678 PolarHBondContact O-N 2.89Å; H674-F678 AromaticContact CE1-CD1 3.57Å; H674-F678 AromaticContact ND1-CD1 3.46Å; H674-F678 WeakPolarHBondContact ND1-CD1 3.49Å; F678-Q680 VanDerWaalsContact C-N 3.32Å; F678-Q680 PolarHBondContact O-N 3.3Å; F678-D681 PolarHBondContact O-N 3.19Å; F678-L682 HydrophobicContact CD1-CD1 3.97Å; F678-L682 HydrophobicContact CD1-CG 4.45Å; F678-L682 HydrophobicContact CD2-CG 4.25Å; F678-L682 HydrophobicContact CE1-CD1 3.44Å; F678-L682 VanDerWaalsContact CE1-CD1 3.44Å; F678-L682 HydrophobicContact CE1-CG 4.1Å; F678-L682 HydrophobicContact CE2-CD1 4.12Å; F678-L682 HydrophobicContact CE2-CD2 3.97Å; F678-L682 HydrophobicContact CE2-CG 3.87Å; F678-L682 HydrophobicContact CZ-CD1 3.52Å; F678-L682 HydrophobicContact CZ-CD2 3.94Å; F678-L682 HydrophobicContact CZ-CG 3.8Å; F678-L682 WeakPolarHBondContact O-CB 3.39Å; F678-L682 VanDerWaalsContact O-CG 3.3Å; F678-L682 WeakPolarHBondContact O-CG 3.5Å; F678-L682 PolarHBondContact O-N 3.36Å; F678-F696 HydrophobicContact CE2-CD1 4.46Å; F678-F696 HydrophobicContact CE2-CD2 4.43Å; F678-F696 HydrophobicContact CE2-CE1 4.21Å; F678-F696 HydrophobicContact CE2-CE2 4.17Å; F678-F696 HydrophobicContact CE2-CZ 4.08Å; F678-F696 HydrophobicContact CZ-CD1 4.49Å; F678-F696 AromaticContact CZ-CE1 3.8Å; F678-F696 HydrophobicContact CZ-CE1 3.8Å; F678-F696 AromaticContact CZ-CE2 3.91Å; F678-F696 HydrophobicContact CZ-CE2 3.91Å; F678-F696 AromaticContact CZ-CZ 3.5Å; F678-F696 HydrophobicContact CZ-CZ 3.5Å; F678-F696 VanDerWaalsContact CZ-CZ 3.5Å; F678-L699 HydrophobicContact CB-CD1 4.42Å; F678-L699 HydrophobicContact CD2-CD1 3.77Å; F678-F703 HydrophobicContact CD1-CZ 4.37Å; F678-F703 AromaticContact CD2-CZ 3.96Å; F678-F703 HydrophobicContact CD2-CZ 3.96Å; F678-F703 HydrophobicContact CE1-CZ 4.14Å; F678-F703 HydrophobicContact CE2-CE2 4.36Å; F678-F703 AromaticContact CE2-CZ 3.73Å; F678-F703 HydrophobicContact CE2-CZ 3.73Å; F678-F703 HydrophobicContact CG-CZ 4.27Å; F678-F703 AromaticContact CZ-CZ 3.81Å; F678-F703 HydrophobicContact CZ-CZ 3.81Å; F678-Y758 AromaticContact CE1-CE1 3.7Å; F678-Y758 HydrophobicContact CE1-CE1 3.7Å; F678-Y758 AromaticContact CE1-CZ 3.75Å; F678-Y758 HydrophobicContact CZ-CE1 4.1Å |
| 679 | L | 92.8 | Very high | 90.2 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 174 | 175.4 | 60.1 | 0 | 0 | 0 | 112.2 | I622 E625 R626 V629 H674 V677 L682 E683 | I622-L679 HydrophobicContact CG2-CD1 4.36Å; E625-L679 HydrophobicContact CB-CD1 3.93Å; E625-L679 HydrophobicContact CG-CB 4.07Å; E625-L679 HydrophobicContact CG-CD1 3.86Å; R626-L679 HydrophobicContact CG-CD1 3.74Å; R626-L679 HydrophobicContact CG-CD2 4.17Å; V629-L679 HydrophobicContact CB-CD2 4.3Å; V629-L679 HydrophobicContact CG1-CD2 4.49Å; V629-L679 HydrophobicContact CG2-CD2 4.11Å; H674-L679 WeakPolarHBondContact O-CB 3.43Å; H674-L679 PolarHBondContact O-N 3.08Å; V677-L679 PolarHBondContact O-N 3.29Å; L679-L682 PolarHBondContact O-N 3.37Å; L679-E683 HydrophobicContact CD1-CG 4.17Å; L679-E683 WeakPolarHBondContact O-CB 3.49Å; L679-E683 VanDerWaalsContact O-CG 3.3Å; L679-E683 WeakPolarHBondContact O-CG 3.42Å; L679-E683 PolarHBondContact O-N 2.69Å |
| 680 | Q | 91.1 | Very high | 89.4 | Confident | 112 Ų | 112 | 48.6 Ų | 48.6 | 52% | 0.523 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.8 | -40.7 | -179 | -60.7 | 178.9 | 27 | 0 | 0 | 111.1 | R676 V677 F678 E683 G684 | R676-Q680 PolarHBondContact O-NE2 3.38Å; V677-Q680 WeakPolarHBondContact O-CB 3.3Å; V677-Q680 PolarHBondContact O-N 3.26Å; F678-Q680 VanDerWaalsContact C-N 3.32Å; F678-Q680 PolarHBondContact O-N 3.3Å; Q680-E683 PolarHBondContact O-N 3.11Å; Q680-G684 PolarHBondContact O-N 2.95Å |
| 681 | D | 90.6 | Very high | 88.9 | Confident | 63 Ų | 63 | 51.8 Ų | 51.8 | 34% | 0.337 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 174.6 | -64.6 | -36.3 | 0 | 0 | 0 | 111.2 | V677 F678 G684 C685 | V677-D681 WeakPolarHBondContact CG1-OD2 3.33Å; V677-D681 PolarHBondContact O-N 3.26Å; F678-D681 PolarHBondContact O-N 3.19Å; D681-G684 PolarHBondContact O-N 3.19Å; D681-C685 PolarHBondContact O-N 3.05Å; D681-C685 PolarHBondContact O-SG 3.37Å |
| 682 | L | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 173.1 | -75.3 | -175.5 | 0 | 0 | 0 | 113 | M618 L621 I622 E625 F678 L679 G684 C685 V692 F696 | M618-L682 HydrophobicContact CE-CB 4.43Å; M618-L682 HydrophobicContact CE-CD2 4.09Å; M618-L682 WeakPolarHBondContact CE-O 3.21Å; L621-L682 HydrophobicContact CD1-CD1 4.29Å; L621-L682 HydrophobicContact CD2-CD1 4.41Å; L621-L682 HydrophobicContact CD2-CD2 3.79Å; L621-L682 HydrophobicContact CG-CD1 4.03Å; L621-L682 HydrophobicContact CG-CD2 4.3Å; I622-L682 WeakPolarHBondContact CD1-O 3.29Å; I622-L682 HydrophobicContact CG1-CB 4.15Å; E625-L682 HydrophobicContact CB-CD1 4.13Å; E625-L682 HydrophobicContact CG-CD1 4.01Å; F678-L682 HydrophobicContact CD1-CD1 3.97Å; F678-L682 HydrophobicContact CD1-CG 4.45Å; F678-L682 HydrophobicContact CD2-CG 4.25Å; F678-L682 HydrophobicContact CE1-CD1 3.44Å; F678-L682 VanDerWaalsContact CE1-CD1 3.44Å; F678-L682 HydrophobicContact CE1-CG 4.1Å; F678-L682 HydrophobicContact CE2-CD1 4.12Å; F678-L682 HydrophobicContact CE2-CD2 3.97Å; F678-L682 HydrophobicContact CE2-CG 3.87Å; F678-L682 HydrophobicContact CZ-CD1 3.52Å; F678-L682 HydrophobicContact CZ-CD2 3.94Å; F678-L682 HydrophobicContact CZ-CG 3.8Å; F678-L682 WeakPolarHBondContact O-CB 3.39Å; F678-L682 VanDerWaalsContact O-CG 3.3Å; F678-L682 WeakPolarHBondContact O-CG 3.5Å; F678-L682 PolarHBondContact O-N 3.36Å; L679-L682 PolarHBondContact O-N 3.37Å; L682-G684 VanDerWaalsContact C-N 3.27Å; L682-G684 PolarHBondContact O-N 3.44Å; L682-C685 PolarHBondContact O-N 3.39Å; L682-C685 VanDerWaalsContact O-N 3.13Å; L682-V692 HydrophobicContact CD2-CG2 3.37Å; L682-F696 HydrophobicContact CD2-CE2 4.34Å |
| 683 | E | 89.4 | Confident | 88.4 | Confident | 75 Ų | 75 | 47.5 Ų | 47.5 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63 | -34.9 | 174.5 | -76.8 | -178.6 | 149.5 | 0 | 0 | 111.7 | I622 R626 L679 Q680 C685 L686 | I622-E683 HydrophobicContact CG2-CG 3.83Å; R626-E683 IonicContact CZ-OE1 2.73Å; R626-E683 IonicContact NE-OE1 2.73Å; R626-E683 PolarHBondContact NE-OE1 3.27Å; R626-E683 IonicContact NH2-OE1 3.52Å; R626-E683 PolarHBondContact NH2-OE1 3.3Å; L679-E683 HydrophobicContact CD1-CG 4.17Å; L679-E683 WeakPolarHBondContact O-CB 3.49Å; L679-E683 VanDerWaalsContact O-CG 3.3Å; L679-E683 WeakPolarHBondContact O-CG 3.42Å; L679-E683 PolarHBondContact O-N 2.69Å; Q680-E683 PolarHBondContact O-N 3.11Å; E683-C685 VanDerWaalsContact C-N 3.29Å; E683-C685 PolarHBondContact O-N 2.93Å; E683-L686 VanDerWaalsContact O-CB 3.31Å; E683-L686 WeakPolarHBondContact O-CB 3.44Å; E683-L686 PolarHBondContact O-N 3.11Å |
| 684 | G | 85.6 | Confident | 88.1 | Confident | 66 Ų | 66 | 48.9 Ų | 48.9 | 68% | 0.68 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.3 | -29.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q680 D681 L682 L686 | Q680-G684 PolarHBondContact O-N 2.95Å; D681-G684 PolarHBondContact O-N 3.19Å; L682-G684 VanDerWaalsContact C-N 3.27Å; L682-G684 PolarHBondContact O-N 3.44Å; G684-L686 VanDerWaalsContact C-N 3.33Å; G684-L686 PolarHBondContact O-N 3.24Å |
| 685 | C | 86.2 | Confident | 87.9 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 0.8 | 177.4 | -69.3 | 0 | 0 | 0 | 0 | 114.5 | M618 D681 L682 E683 E687 A688 T691 V692 | M618-C685 HydrophobicContact CE-CB 3.46Å; M618-C685 VanDerWaalsContact CE-CB 3.46Å; D681-C685 PolarHBondContact O-N 3.05Å; D681-C685 PolarHBondContact O-SG 3.37Å; L682-C685 PolarHBondContact O-N 3.39Å; L682-C685 VanDerWaalsContact O-N 3.13Å; E683-C685 VanDerWaalsContact C-N 3.29Å; E683-C685 PolarHBondContact O-N 2.93Å; C685-E687 PolarHBondContact O-N 2.87Å; C685-A688 CarbonylContact O-C 3.54Å; C685-A688 VanDerWaalsContact O-C 3.27Å; C685-A688 PolarHBondContact O-N 3.5Å; C685-T691 PolarHBondContact SG-OG1 2.9Å; C685-V692 HydrophobicContact CB-CB 4.34Å; C685-V692 HydrophobicContact CB-CG2 4.43Å |
| 686 | L | 83.3 | Confident | 87.8 | Confident | 65 Ų | 65 | 48.6 Ų | 48.6 | 34% | 0.34 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -40.2 | -174 | 177.1 | 62.5 | 0 | 0 | 0 | 114.2 | I622 E683 G684 | I622-L686 HydrophobicContact CD1-CB 4.01Å; I622-L686 HydrophobicContact CD1-CD1 3.81Å; I622-L686 HydrophobicContact CD1-CG 4.44Å; E683-L686 VanDerWaalsContact O-CB 3.31Å; E683-L686 WeakPolarHBondContact O-CB 3.44Å; E683-L686 PolarHBondContact O-N 3.11Å; G684-L686 VanDerWaalsContact C-N 3.33Å; G684-L686 PolarHBondContact O-N 3.24Å |
| 687 | E | 79.4 | Confident | 87.8 | Confident | 168 Ų | 168 | 43.6 Ų | 43.6 | 79% | 0.785 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -15.6 | -177.9 | -61.7 | -61.6 | 133.9 | 0 | 0 | 113.3 | C685 | C685-E687 PolarHBondContact O-N 2.87Š|
| 688 | A | 82.1 | Confident | 87.8 | Confident | 30 Ų | 30 | 48.4 Ų | 48.4 | 25% | 0.248 | 27% | 0.271 | C | S | . | . | trans | -140.9 | 70.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | C685 E690 T691 | C685-A688 CarbonylContact O-C 3.54Å; C685-A688 VanDerWaalsContact O-C 3.27Å; C685-A688 PolarHBondContact O-N 3.5Å; A688-E690 VanDerWaalsContact CA-OE1 3.25Å; A688-E690 WeakPolarHBondContact CA-OE1 3.25Å; A688-E690 PolarHBondContact O-N 2.88Å; A688-E690 VanDerWaalsContact O-N 3.17Å; A688-T691 HydrophobicContact CB-CG2 4.04Å; A688-T691 WeakPolarHBondContact O-CB 3.22Å; A688-T691 PolarHBondContact O-N 3.26Å; A688-T691 PolarHBondContact O-OG1 2.84Å | ||
| 689 | P | 82.2 | Confident | 87.6 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 5% | 0.045 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -62.9 | -27.1 | -166.5 | 25.3 | -34.8 | 0 | 0 | 0 | 113.7 | K614 M618 T691 V692 L765 | K614-P689 HydrophobicContact CB-CG 4.13Å; M618-P689 HydrophobicContact CB-CB 3.96Å; M618-P689 HydrophobicContact CG-CB 4.01Å; M618-P689 HydrophobicContact SD-CB 4.26Å; P689-T691 PolarHBondContact O-N 3.44Å; P689-V692 VanDerWaalsContact O-CB 3.31Å; P689-V692 WeakPolarHBondContact O-CB 3.44Å; P689-V692 WeakPolarHBondContact O-CG1 3.41Å; P689-V692 PolarHBondContact O-N 3.37Å; P689-L765 HydrophobicContact CB-CD1 4.34Å |
| 690 | E | 77.5 | Confident | 87.4 | Confident | 57 Ų | 57 | 52.9 Ų | 52.9 | 27% | 0.266 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -53.4 | -29.9 | 169.8 | 50.2 | -75.7 | 164.4 | 0 | 0 | 114 | A688 V692 E773 | A688-E690 VanDerWaalsContact CA-OE1 3.25Å; A688-E690 WeakPolarHBondContact CA-OE1 3.25Å; A688-E690 PolarHBondContact O-N 2.88Å; A688-E690 VanDerWaalsContact O-N 3.17Å; E690-V692 PolarHBondContact O-N 3.41Å; E690-E773 WeakPolarHBondContact CB-O 3.44Å |
| 691 | T | 85.1 | Confident | 87.2 | Confident | 67 Ų | 67 | 53.3 Ų | 53.3 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -70.6 | -15.3 | 177.7 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | C685 A688 P689 G693 A694 C695 | C685-T691 PolarHBondContact SG-OG1 2.9Å; A688-T691 HydrophobicContact CB-CG2 4.04Å; A688-T691 WeakPolarHBondContact O-CB 3.22Å; A688-T691 PolarHBondContact O-N 3.26Å; A688-T691 PolarHBondContact O-OG1 2.84Å; P689-T691 PolarHBondContact O-N 3.44Å; T691-G693 PolarHBondContact O-N 3.49Å; T691-G693 VanDerWaalsContact O-N 3.16Å; T691-A694 WeakPolarHBondContact O-CB 3.49Å; T691-A694 PolarHBondContact O-N 2.7Å; T691-C695 PolarHBondContact O-N 3.34Å |
| 692 | V | 89.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -28.1 | -177.5 | 85.9 | 0 | 0 | 0 | 0 | 112.6 | M618 L621 L682 C685 P689 E690 A694 C695 F696 L762 L765 L778 | M618-V692 HydrophobicContact CE-CB 4.35Å; M618-V692 HydrophobicContact CE-CG2 3.85Å; M618-V692 HydrophobicContact SD-CB 4.2Å; M618-V692 HydrophobicContact SD-CG2 4.07Å; L621-V692 HydrophobicContact CD2-CG2 4.06Å; L682-V692 HydrophobicContact CD2-CG2 3.37Å; C685-V692 HydrophobicContact CB-CB 4.34Å; C685-V692 HydrophobicContact CB-CG2 4.43Å; P689-V692 VanDerWaalsContact O-CB 3.31Å; P689-V692 WeakPolarHBondContact O-CB 3.44Å; P689-V692 WeakPolarHBondContact O-CG1 3.41Å; P689-V692 PolarHBondContact O-N 3.37Å; E690-V692 PolarHBondContact O-N 3.41Å; V692-A694 VanDerWaalsContact C-N 3.3Å; V692-A694 PolarHBondContact O-N 3.11Å; V692-C695 WeakPolarHBondContact O-CB 3.28Å; V692-C695 PolarHBondContact O-N 2.91Å; V692-F696 HydrophobicContact CG2-CD2 4.15Å; V692-F696 HydrophobicContact CG2-CE2 4.1Å; V692-F696 WeakPolarHBondContact O-CD2 3.26Å; V692-F696 PolarHBondContact O-N 3.2Å; V692-F696 VanDerWaalsContact O-N 3.1Å; V692-L762 HydrophobicContact CG1-CD2 4.28Å; V692-L765 HydrophobicContact CG1-CD2 3.53Å; V692-L778 HydrophobicContact CG1-CD1 4.05Å |
| 693 | G | 88.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T691 L697 | T691-G693 PolarHBondContact O-N 3.49Å; T691-G693 VanDerWaalsContact O-N 3.16Å; G693-L697 WeakPolarHBondContact O-CB 3.49Å; G693-L697 WeakPolarHBondContact O-CG 3.33Å; G693-L697 PolarHBondContact O-N 3.48Å; G693-L697 VanDerWaalsContact O-N 3.08Å |
| 694 | A | 89.2 | Confident | 87.1 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 39% | 0.388 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T691 V692 L697 Q698 | T691-A694 WeakPolarHBondContact O-CB 3.49Å; T691-A694 PolarHBondContact O-N 2.7Å; V692-A694 VanDerWaalsContact C-N 3.3Å; V692-A694 PolarHBondContact O-N 3.11Å; A694-L697 PolarHBondContact O-N 3.21Å; A694-Q698 WeakPolarHBondContact O-CB 3.28Å; A694-Q698 PolarHBondContact O-N 3.46Å |
| 695 | C | 90.6 | Very high | 87.4 | Confident | 14 Ų | 14 | 51.3 Ų | 51.3 | 10% | 0.095 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.2 | -52.2 | 174.4 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | T691 V692 L697 Q698 L699 | T691-C695 PolarHBondContact O-N 3.34Å; V692-C695 WeakPolarHBondContact O-CB 3.28Å; V692-C695 PolarHBondContact O-N 2.91Å; C695-L697 VanDerWaalsContact C-N 3.33Å; C695-L697 PolarHBondContact O-N 2.91Å; C695-Q698 PolarHBondContact O-N 3.29Å; C695-L699 WeakPolarHBondContact O-CG 3.4Å; C695-L699 PolarHBondContact O-N 3.31Å |
| 696 | F | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 176.9 | -87.5 | -87.8 | 0 | 0 | 0 | 113 | L621 F678 L682 V692 K700 F703 Y758 L762 A781 M785 | L621-F696 HydrophobicContact CD2-CE2 4.34Å; F678-F696 HydrophobicContact CE2-CD1 4.46Å; F678-F696 HydrophobicContact CE2-CD2 4.43Å; F678-F696 HydrophobicContact CE2-CE1 4.21Å; F678-F696 HydrophobicContact CE2-CE2 4.17Å; F678-F696 HydrophobicContact CE2-CZ 4.08Å; F678-F696 HydrophobicContact CZ-CD1 4.49Å; F678-F696 AromaticContact CZ-CE1 3.8Å; F678-F696 HydrophobicContact CZ-CE1 3.8Å; F678-F696 AromaticContact CZ-CE2 3.91Å; F678-F696 HydrophobicContact CZ-CE2 3.91Å; F678-F696 AromaticContact CZ-CZ 3.5Å; F678-F696 HydrophobicContact CZ-CZ 3.5Å; F678-F696 VanDerWaalsContact CZ-CZ 3.5Å; L682-F696 HydrophobicContact CD2-CE2 4.34Å; V692-F696 HydrophobicContact CG2-CD2 4.15Å; V692-F696 HydrophobicContact CG2-CE2 4.1Å; V692-F696 WeakPolarHBondContact O-CD2 3.26Å; V692-F696 PolarHBondContact O-N 3.2Å; V692-F696 VanDerWaalsContact O-N 3.1Å; F696-K700 WeakPolarHBondContact O-CA 3.38Å; F696-K700 PolarHBondContact O-N 3.47Å; F696-F703 HydrophobicContact CD1-CE2 4.1Å; F696-F703 HydrophobicContact CD1-CZ 4.08Å; F696-F703 HydrophobicContact CE1-CE2 4.47Å; F696-F703 AromaticContact CE1-CZ 3.99Å; F696-F703 HydrophobicContact CE1-CZ 3.99Å; F696-Y758 AromaticContact CE1-CD1 3.98Å; F696-Y758 HydrophobicContact CE1-CD1 3.98Å; F696-Y758 HydrophobicContact CE1-CD2 4.34Å; F696-Y758 AromaticContact CE1-CG 3.83Å; F696-Y758 HydrophobicContact CE1-CG 3.83Å; F696-Y758 AromaticContact CZ-CD1 3.7Å; F696-Y758 HydrophobicContact CZ-CD1 3.7Å; F696-Y758 HydrophobicContact CZ-CE1 4.35Å; F696-Y758 HydrophobicContact CZ-CG 4.01Å; F696-L762 HydrophobicContact CD1-CD1 4.09Å; F696-L762 HydrophobicContact CD2-CD1 4.26Å; F696-L762 HydrophobicContact CD2-CD2 3.75Å; F696-L762 HydrophobicContact CD2-CG 4.46Å; F696-L762 HydrophobicContact CE1-CD1 4.06Å; F696-L762 HydrophobicContact CE2-CD1 4.23Å; F696-L762 HydrophobicContact CE2-CD2 3.73Å; F696-L762 HydrophobicContact CE2-CG 4.19Å; F696-L762 HydrophobicContact CG-CD1 4.17Å; F696-L762 HydrophobicContact CG-CD2 4.38Å; F696-L762 HydrophobicContact CZ-CD1 4.1Å; F696-L762 HydrophobicContact CZ-CD2 4.35Å; F696-L762 HydrophobicContact CZ-CG 4.31Å; F696-A781 HydrophobicContact CB-CB 3.6Å; F696-A781 HydrophobicContact CG-CB 4.39Å; F696-M785 HydrophobicContact CD1-CE 4.18Å; F696-M785 HydrophobicContact CD1-CG 3.86Å; F696-M785 HydrophobicContact CD1-SD 3.82Å; F696-M785 HydrophobicContact CE1-CG 4.08Å; F696-M785 HydrophobicContact CE1-SD 3.94Å |
| 697 | L | 91.3 | Very high | 87.9 | Confident | 59 Ų | 59 | 50 Ų | 50 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70 | -35.8 | 177.7 | -76.2 | 171.8 | 0 | 0 | 0 | 113 | G693 A694 C695 K700 E777 A781 A784 | G693-L697 WeakPolarHBondContact O-CB 3.49Å; G693-L697 WeakPolarHBondContact O-CG 3.33Å; G693-L697 PolarHBondContact O-N 3.48Å; G693-L697 VanDerWaalsContact O-N 3.08Å; A694-L697 PolarHBondContact O-N 3.21Å; C695-L697 VanDerWaalsContact C-N 3.33Å; C695-L697 PolarHBondContact O-N 2.91Å; L697-K700 WeakPolarHBondContact O-CD 3.41Å; L697-E777 HydrophobicContact CD1-CB 4.25Å; L697-E777 WeakPolarHBondContact CD1-O 3.42Å; L697-A781 HydrophobicContact CG-CB 4.35Å; L697-A784 HydrophobicContact CD2-CB 4.36Å |
| 698 | Q | 91.6 | Very high | 88.2 | Confident | 157 Ų | 157 | 46.5 Ų | 46.5 | 73% | 0.734 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -68.1 | -40.2 | 175.3 | -179.6 | 172.5 | -43.8 | 0 | 0 | 111.7 | A694 C695 | A694-Q698 WeakPolarHBondContact O-CB 3.28Å; A694-Q698 PolarHBondContact O-N 3.46Å; C695-Q698 PolarHBondContact O-N 3.29Å |
| 699 | L | 90.6 | Very high | 88.7 | Confident | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -94.5 | 2 | -175 | -60.5 | 175.2 | 0 | 0 | 0 | 114.5 | F673 V677 F678 C695 E701 S702 F703 | F673-L699 HydrophobicContact CE2-CB 4.31Å; F673-L699 HydrophobicContact CE2-CD1 4.14Å; F673-L699 HydrophobicContact CE2-CD2 4.28Å; F673-L699 HydrophobicContact CE2-CG 4.49Å; F673-L699 HydrophobicContact CZ-CB 4.13Å; F673-L699 HydrophobicContact CZ-CD1 4.27Å; V677-L699 HydrophobicContact CG1-CD1 4.19Å; V677-L699 HydrophobicContact CG1-CD2 3.94Å; F678-L699 HydrophobicContact CB-CD1 4.42Å; F678-L699 HydrophobicContact CD2-CD1 3.77Å; C695-L699 WeakPolarHBondContact O-CG 3.4Å; C695-L699 PolarHBondContact O-N 3.31Å; L699-E701 PolarHBondContact O-N 2.89Å; L699-S702 WeakPolarHBondContact O-CB 3.12Å; L699-S702 PolarHBondContact O-N 2.89Å; L699-F703 HydrophobicContact CB-CE2 4.1Å; L699-F703 VanDerWaalsContact O-CD2 3.32Å; L699-F703 WeakPolarHBondContact O-CD2 3.41Å |
| 700 | K | 88.3 | Confident | 89 | Confident | 97 Ų | 97 | 45 Ų | 45 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -31.6 | -175 | 78 | -168.8 | 177.7 | -169.9 | 0 | 114.7 | F696 L697 | F696-K700 WeakPolarHBondContact O-CA 3.38Å; F696-K700 PolarHBondContact O-N 3.47Å; L697-K700 WeakPolarHBondContact O-CD 3.41Å |
| 701 | E | 87.4 | Confident | 89.4 | Confident | 121 Ų | 121 | 44 Ų | 44 | 57% | 0.565 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -34.1 | -177.6 | -75 | 166.5 | -149.5 | 0 | 0 | 111.6 | L699 F703 Q704 | L699-E701 PolarHBondContact O-N 2.89Å; E701-F703 VanDerWaalsContact C-N 3.27Å; E701-F703 PolarHBondContact O-N 2.84Å; E701-Q704 WeakPolarHBondContact O-CB 3.44Å; E701-Q704 WeakPolarHBondContact O-CG 3.26Å; E701-Q704 PolarHBondContact O-N 3.33Å; E701-Q704 VanDerWaalsContact O-N 3.13Å |
| 702 | S | 89.8 | Confident | 89.6 | Confident | 51 Ų | 51 | 41.4 Ų | 41.4 | 36% | 0.357 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -61.1 | -35.3 | 174.3 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | F673 L699 Q704 M705 | F673-S702 VanDerWaalsContact CE2-CB 3.47Å; L699-S702 WeakPolarHBondContact O-CB 3.12Å; L699-S702 PolarHBondContact O-N 2.89Å; S702-Q704 PolarHBondContact O-N 3.13Å; S702-Q704 VanDerWaalsContact O-N 3.14Å; S702-M705 WeakPolarHBondContact O-CG 3.39Å; S702-M705 PolarHBondContact O-N 3.02Å |
| 703 | F | 92 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -66 | -10.6 | 177.3 | -70.7 | -84.2 | 0 | 0 | 0 | 114.5 | F673 H674 F678 F696 L699 E701 M705 Y706 Y758 M785 L788 | F673-F703 AromaticContact CE1-CD1 3.96Å; F673-F703 HydrophobicContact CE1-CD1 3.96Å; F673-F703 HydrophobicContact CE1-CD2 4.3Å; F673-F703 AromaticContact CE1-CE1 3.86Å; F673-F703 HydrophobicContact CE1-CE1 3.86Å; F673-F703 HydrophobicContact CE1-CE2 4.2Å; F673-F703 HydrophobicContact CE1-CG 4.18Å; F673-F703 AromaticContact CE1-CZ 3.97Å; F673-F703 HydrophobicContact CE1-CZ 3.97Å; F673-F703 HydrophobicContact CZ-CD2 4.19Å; F673-F703 HydrophobicContact CZ-CE1 4.38Å; F673-F703 AromaticContact CZ-CE2 3.94Å; F673-F703 HydrophobicContact CZ-CE2 3.94Å; F673-F703 HydrophobicContact CZ-CZ 4.03Å; H674-F703 AromaticContact CE1-CE1 3.86Å; F678-F703 HydrophobicContact CD1-CZ 4.37Å; F678-F703 AromaticContact CD2-CZ 3.96Å; F678-F703 HydrophobicContact CD2-CZ 3.96Å; F678-F703 HydrophobicContact CE1-CZ 4.14Å; F678-F703 HydrophobicContact CE2-CE2 4.36Å; F678-F703 AromaticContact CE2-CZ 3.73Å; F678-F703 HydrophobicContact CE2-CZ 3.73Å; F678-F703 HydrophobicContact CG-CZ 4.27Å; F678-F703 AromaticContact CZ-CZ 3.81Å; F678-F703 HydrophobicContact CZ-CZ 3.81Å; F696-F703 HydrophobicContact CD1-CE2 4.1Å; F696-F703 HydrophobicContact CD1-CZ 4.08Å; F696-F703 HydrophobicContact CE1-CE2 4.47Å; F696-F703 AromaticContact CE1-CZ 3.99Å; F696-F703 HydrophobicContact CE1-CZ 3.99Å; L699-F703 HydrophobicContact CB-CE2 4.1Å; L699-F703 VanDerWaalsContact O-CD2 3.32Å; L699-F703 WeakPolarHBondContact O-CD2 3.41Å; E701-F703 VanDerWaalsContact C-N 3.27Å; E701-F703 PolarHBondContact O-N 2.84Å; F703-M705 PolarHBondContact O-N 2.63Å; F703-M705 VanDerWaalsContact O-N 3.13Å; F703-Y706 HydrophobicContact CD1-CD2 4.34Å; F703-Y706 AromaticContact CD1-CE2 3.96Å; F703-Y706 HydrophobicContact CD1-CE2 3.96Å; F703-Y706 WeakPolarHBondContact O-CD2 3.39Å; F703-Y706 PolarHBondContact O-N 2.89Å; F703-Y706 VanDerWaalsContact O-N 3.09Å; F703-Y758 HydrophobicContact CD1-CE2 4.39Å; F703-Y758 HydrophobicContact CE1-CD2 4.14Å; F703-Y758 AromaticContact CE1-CE2 3.68Å; F703-Y758 HydrophobicContact CE1-CE2 3.68Å; F703-M785 HydrophobicContact CB-CE 4.43Å; F703-M785 HydrophobicContact CD2-CE 3.87Å; F703-M785 HydrophobicContact CE2-CE 4.28Å; F703-M785 HydrophobicContact CG-CE 4.14Å; F703-L788 HydrophobicContact CB-CD2 3.39Å; F703-L788 HydrophobicContact CG-CD2 4.37Å |
| 704 | Q | 86.8 | Confident | 89.5 | Confident | 97 Ų | 97 | 45 Ų | 45 | 45% | 0.453 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -61.1 | -21.5 | 175.5 | -67.2 | 178.2 | 20 | 0 | 0 | 113 | E701 S702 Y706 E707 | E701-Q704 WeakPolarHBondContact O-CB 3.44Å; E701-Q704 WeakPolarHBondContact O-CG 3.26Å; E701-Q704 PolarHBondContact O-N 3.33Å; E701-Q704 VanDerWaalsContact O-N 3.13Å; S702-Q704 PolarHBondContact O-N 3.13Å; S702-Q704 VanDerWaalsContact O-N 3.14Å; Q704-Y706 PolarHBondContact O-N 3.05Å; Q704-E707 WeakPolarHBondContact O-CB 3.46Å; Q704-E707 PolarHBondContact O-N 3.25Å |
| 705 | M | 90.8 | Very high | 89.3 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 7% | 0.069 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -49.9 | -27.9 | 170 | 65.7 | -179.3 | 31.9 | 0 | 0 | 114 | N666 E669 I670 F673 S702 F703 E707 Y709 | N666-M705 PolarHBondContact ND2-O 3.49Å; E669-M705 HydrophobicContact CB-CE 3.75Å; E669-M705 HydrophobicContact CG-CE 3.79Å; I670-M705 VanDerWaalsContact CA-SD 3.59Å; I670-M705 HydrophobicContact CB-SD 4.13Å; I670-M705 HydrophobicContact CG1-CG 4.08Å; I670-M705 HydrophobicContact CG1-SD 3.74Å; F673-M705 HydrophobicContact CB-CE 3.71Å; F673-M705 HydrophobicContact CB-SD 4.08Å; F673-M705 HydrophobicContact CD1-CE 4.18Å; F673-M705 HydrophobicContact CD1-SD 3.71Å; F673-M705 HydrophobicContact CG-CE 4.11Å; F673-M705 HydrophobicContact CG-SD 4.22Å; S702-M705 WeakPolarHBondContact O-CG 3.39Å; S702-M705 PolarHBondContact O-N 3.02Å; F703-M705 PolarHBondContact O-N 2.63Å; F703-M705 VanDerWaalsContact O-N 3.13Å; M705-E707 PolarHBondContact O-N 3.34Å; M705-Y709 PolarHBondContact O-N 3.37Å |
| 706 | Y | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.7 | -18.4 | 178.3 | -78.3 | -104.3 | 0 | 0 | 0 | 113.2 | Y628 I670 H674 F703 Q704 Y709 C710 P751 L755 | Y628-Y706 PolarHBondContact OH-OH 3.09Å; Y628-Y706 VanDerWaalsContact OH-OH 3.12Å; I670-Y706 HydrophobicContact CG2-CE1 4.49Å; I670-Y706 HydrophobicContact CG2-CE2 4.11Å; H674-Y706 PolarHBondContact CE1-OH 3.1Å; H674-Y706 AromaticContact NE2-CE2 3.55Å; H674-Y706 AromaticContact NE2-CZ 3.71Å; H674-Y706 PolarHBondContact NE2-OH 2.93Å; F703-Y706 HydrophobicContact CD1-CD2 4.34Å; F703-Y706 AromaticContact CD1-CE2 3.96Å; F703-Y706 HydrophobicContact CD1-CE2 3.96Å; F703-Y706 WeakPolarHBondContact O-CD2 3.39Å; F703-Y706 PolarHBondContact O-N 2.89Å; F703-Y706 VanDerWaalsContact O-N 3.09Å; Q704-Y706 PolarHBondContact O-N 3.05Å; Y706-Y709 WeakPolarHBondContact O-CB 3.42Å; Y706-Y709 PolarHBondContact O-N 2.85Å; Y706-C710 PolarHBondContact O-N 2.71Å; Y706-C710 PolarHBondContact O-SG 2.91Å; Y706-C710 VanDerWaalsContact O-SG 3.36Å; Y706-P751 HydrophobicContact CD1-CB 3.71Å; Y706-P751 HydrophobicContact CE1-CB 3.46Å; Y706-P751 VanDerWaalsContact CE1-CB 3.46Å; Y706-P751 WeakPolarHBondContact CE1-O 3.48Å; Y706-L755 HydrophobicContact CD1-CB 3.79Å; Y706-L755 HydrophobicContact CD1-CD1 4.05Å; Y706-L755 HydrophobicContact CD1-CD2 4.13Å; Y706-L755 HydrophobicContact CD1-CG 4.21Å; Y706-L755 HydrophobicContact CD2-CD1 4.3Å; Y706-L755 HydrophobicContact CE1-CB 3.97Å; Y706-L755 HydrophobicContact CE1-CD1 4.47Å; Y706-L755 HydrophobicContact CG-CD1 3.96Å; Y706-L755 HydrophobicContact CG-CD2 4.27Å; Y706-L755 HydrophobicContact CG-CG 4.49Å |
| 707 | E | 87.8 | Confident | 89 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 22% | 0.22 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.7 | -54 | 177.4 | -164.4 | 178.7 | 124.5 | 0 | 0 | 111.2 | Q704 M705 Y709 C710 Q711 S791 V792 S795 | Q704-E707 WeakPolarHBondContact O-CB 3.46Å; Q704-E707 PolarHBondContact O-N 3.25Å; M705-E707 PolarHBondContact O-N 3.34Å; E707-Y709 PolarHBondContact O-N 3.14Å; E707-Y709 VanDerWaalsContact O-N 3.15Å; E707-C710 PolarHBondContact O-N 2.68Å; E707-Q711 WeakPolarHBondContact O-CB 3.5Å; E707-Q711 WeakPolarHBondContact O-CG 3.35Å; E707-Q711 PolarHBondContact O-N 3.1Å; E707-Q711 PolarHBondContact OE1-NE2 3.14Å; E707-S791 PolarHBondContact OE2-OG 3.03Å; E707-V792 HydrophobicContact CB-CG2 4.03Å; E707-V792 HydrophobicContact CG-CG2 4.32Å; E707-S795 VanDerWaalsContact CG-OG 3.23Å; E707-S795 WeakPolarHBondContact CG-OG 3.24Å; E707-S795 WeakPolarHBondContact OE1-CB 3.46Å |
| 708 | M | 86.7 | Confident | 88.7 | Confident | 95 Ų | 95 | 50.1 Ų | 50.1 | 47% | 0.468 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -51.4 | -38.3 | 170.3 | -68.1 | -170.6 | -79.4 | 0 | 0 | 111.3 | N666 E669 N712 | N666-M708 HydrophobicContact CB-CB 4.24Å; E669-M708 WeakPolarHBondContact OE2-CE 3.41Å; M708-N712 PolarHBondContact O-N 2.85Å |
| 709 | Y | 91.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -57.3 | -179.3 | -166.1 | -77.8 | 0 | 0 | 0 | 111.7 | R597 F664 N666 M667 I670 M705 Y706 E707 Q711 N712 K713 P751 | R597-Y709 PolarHBondContact NH1-OH 2.73Å; R597-Y709 PolarHBondContact NH2-OH 3.46Å; F664-Y709 WeakPolarHBondContact O-CE2 3.47Å; F664-Y709 PolarHBondContact O-OH 2.74Å; N666-Y709 WeakPolarHBondContact OD1-CA 3.33Å; N666-Y709 VanDerWaalsContact OD1-CB 3.26Å; N666-Y709 WeakPolarHBondContact OD1-CB 3.49Å; N666-Y709 WeakPolarHBondContact OD1-CD2 3.48Å; N666-Y709 PolarHBondContact OD1-N 3.46Å; M667-Y709 HydrophobicContact CB-CD2 4.03Å; M667-Y709 HydrophobicContact CB-CE2 3.79Å; M667-Y709 HydrophobicContact CG-CD2 3.68Å; M667-Y709 HydrophobicContact CG-CE2 3.49Å; M667-Y709 VanDerWaalsContact CG-CE2 3.49Å; M667-Y709 HydrophobicContact SD-CD2 3.95Å; M667-Y709 HydrophobicContact SD-CE1 4.49Å; M667-Y709 HydrophobicContact SD-CE2 3.19Å; M667-Y709 WeakPolarHBondContact SD-CE2 3.39Å; M667-Y709 VanDerWaalsContact SD-CZ 3.58Å; I670-Y709 HydrophobicContact CD1-CD2 3.77Å; I670-Y709 HydrophobicContact CD1-CG 3.84Å; M705-Y709 PolarHBondContact O-N 3.37Å; Y706-Y709 WeakPolarHBondContact O-CB 3.42Å; Y706-Y709 PolarHBondContact O-N 2.85Å; E707-Y709 PolarHBondContact O-N 3.14Å; E707-Y709 VanDerWaalsContact O-N 3.15Å; Y709-Q711 VanDerWaalsContact C-N 3.31Å; Y709-Q711 PolarHBondContact O-N 3.06Å; Y709-N712 PolarHBondContact O-N 3.47Å; Y709-N712 VanDerWaalsContact O-N 3.1Å; Y709-K713 HydrophobicContact CE1-CB 4.17Å; Y709-K713 PolarHBondContact O-N 3.16Å; Y709-K713 VanDerWaalsContact O-N 3.12Å; Y709-P751 HydrophobicContact CD1-CB 4.06Å; Y709-P751 HydrophobicContact CD1-CG 3.65Å; Y709-P751 HydrophobicContact CD2-CG 4.42Å; Y709-P751 HydrophobicContact CE1-CG 3.97Å; Y709-P751 HydrophobicContact CG-CB 4.29Å; Y709-P751 HydrophobicContact CG-CG 4.02Å |
| 710 | C | 90 | Very high | 88.4 | Confident | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | -178.4 | -71.1 | 0 | 0 | 0 | 0 | 111 | Y706 E707 N712 K713 P714 V792 M796 | Y706-C710 PolarHBondContact O-N 2.71Å; Y706-C710 PolarHBondContact O-SG 2.91Å; Y706-C710 VanDerWaalsContact O-SG 3.36Å; E707-C710 PolarHBondContact O-N 2.68Å; C710-N712 PolarHBondContact O-N 3.35Å; C710-N712 VanDerWaalsContact O-N 3.16Å; C710-K713 WeakPolarHBondContact O-CB 3.49Å; C710-K713 PolarHBondContact O-N 2.87Å; C710-P714 VanDerWaalsContact O-CD 3.27Å; C710-P714 WeakPolarHBondContact O-CD 3.44Å; C710-V792 HydrophobicContact CB-CG1 3.59Å; C710-V792 VanDerWaalsContact SG-CG1 3.58Å; C710-M796 HydrophobicContact CB-CG 4.49Å; C710-M796 HydrophobicContact CB-SD 3.7Å; C710-M796 WeakPolarHBondContact O-CE 3.4Å |
| 711 | Q | 86.3 | Confident | 88.3 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 16% | 0.164 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -24.1 | 176.5 | -71.1 | 178.3 | 17.3 | 0 | 0 | 113.8 | E707 Y709 R715 S795 M796 I799 | E707-Q711 WeakPolarHBondContact O-CB 3.5Å; E707-Q711 WeakPolarHBondContact O-CG 3.35Å; E707-Q711 PolarHBondContact O-N 3.1Å; E707-Q711 PolarHBondContact OE1-NE2 3.14Å; Y709-Q711 VanDerWaalsContact C-N 3.31Å; Y709-Q711 PolarHBondContact O-N 3.06Å; Q711-R715 PolarHBondContact O-NE 3.03Å; Q711-R715 PolarHBondContact O-NH2 2.73Å; Q711-S795 VanDerWaalsContact NE2-CB 3.29Å; Q711-S795 PolarHBondContact NE2-OG 2.8Å; Q711-S795 VanDerWaalsContact NE2-OG 3.09Å; Q711-M796 HydrophobicContact CG-SD 4.41Å; Q711-I799 HydrophobicContact CB-CD1 4.24Å; Q711-I799 HydrophobicContact CB-CG2 4.13Å; Q711-I799 HydrophobicContact CG-CD1 4.45Å; Q711-I799 HydrophobicContact CG-CG2 3.79Å; Q711-I799 WeakPolarHBondContact O-CD1 3.25Å |
| 712 | N | 88.5 | Confident | 88.1 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.064 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -88 | -24.1 | 172.6 | -172.1 | 65.7 | 0 | 0 | 0 | 113.4 | I662 G665 M708 Y709 C710 R715 S716 | I662-N712 PolarHBondContact O-ND2 2.76Å; G665-N712 VanDerWaalsContact CA-ND2 3.32Å; G665-N712 WeakPolarHBondContact CA-ND2 3.44Å; M708-N712 PolarHBondContact O-N 2.85Å; Y709-N712 PolarHBondContact O-N 3.47Å; Y709-N712 VanDerWaalsContact O-N 3.1Å; C710-N712 PolarHBondContact O-N 3.35Å; C710-N712 VanDerWaalsContact O-N 3.16Å; N712-R715 WeakPolarHBondContact O-CA 3.38Å; N712-R715 WeakPolarHBondContact O-CB 3.48Å; N712-R715 PolarHBondContact O-N 2.74Å; N712-S716 PolarHBondContact O-N 3.43Å |
| 713 | K | 89.8 | Confident | 87.8 | Confident | 22 Ų | 22 | 44.1 Ų | 44.1 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.9 | -37.5 | -173.5 | 179.7 | 61.6 | -166.1 | 78 | 0 | 115.4 | Y709 C710 S716 E717 L748 | Y709-K713 HydrophobicContact CE1-CB 4.17Å; Y709-K713 PolarHBondContact O-N 3.16Å; Y709-K713 VanDerWaalsContact O-N 3.12Å; C710-K713 WeakPolarHBondContact O-CB 3.49Å; C710-K713 PolarHBondContact O-N 2.87Å; K713-S716 WeakPolarHBondContact O-CB 3.46Å; K713-E717 IonicContact NZ-OE2 2.6Å; K713-E717 PolarHBondContact NZ-OE2 2.86Å; K713-E717 PolarHBondContact O-N 3.17Å; K713-L748 VanDerWaalsContact CD-O 3.25Å; K713-L748 WeakPolarHBondContact CD-O 3.3Å; K713-L748 WeakPolarHBondContact CE-O 3.38Å |
| 714 | P | 86.1 | Confident | 87.2 | Confident | 53 Ų | 53 | 45.9 Ų | 45.9 | 34% | 0.344 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.8 | -38.6 | 173.9 | -22.9 | 34.1 | 0 | 0 | 0 | 113 | C710 E717 A718 M796 | C710-P714 VanDerWaalsContact O-CD 3.27Å; C710-P714 WeakPolarHBondContact O-CD 3.44Å; P714-E717 PolarHBondContact O-N 3.06Å; P714-A718 WeakPolarHBondContact O-CB 3.41Å; P714-A718 PolarHBondContact O-N 3.34Å; P714-M796 HydrophobicContact CG-CE 3.62Å |
| 715 | R | 85.7 | Confident | 86.7 | Confident | 128 Ų | 128 | 47 Ų | 47 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.1 | -40.5 | 177.5 | -66.6 | 175.3 | -84.9 | 163.8 | -7.2 | 111.3 | I662 Q711 N712 L719 | I662-R715 HydrophobicContact CG2-CB 3.85Å; Q711-R715 PolarHBondContact O-NE 3.03Å; Q711-R715 PolarHBondContact O-NH2 2.73Å; N712-R715 WeakPolarHBondContact O-CA 3.38Å; N712-R715 WeakPolarHBondContact O-CB 3.48Å; N712-R715 PolarHBondContact O-N 2.74Å; R715-L719 WeakPolarHBondContact O-CB 3.35Å; R715-L719 PolarHBondContact O-N 3.39Å; R715-L719 VanDerWaalsContact O-N 3.09Å |
| 716 | S | 89.6 | Confident | 86.2 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.4 | -46.4 | 167.4 | 161.5 | 0 | 0 | 0 | 0 | 111.9 | I662 L663 N712 K713 L719 W720 | I662-S716 VanDerWaalsContact O-CA 3.26Å; I662-S716 WeakPolarHBondContact O-CA 3.28Å; I662-S716 WeakPolarHBondContact O-CB 3.32Å; I662-S716 PolarHBondContact O-N 3.37Å; L663-S716 WeakPolarHBondContact O-CB 3.38Å; L663-S716 PolarHBondContact O-OG 2.84Å; N712-S716 PolarHBondContact O-N 3.43Å; K713-S716 WeakPolarHBondContact O-CB 3.46Å; S716-L719 PolarHBondContact O-N 3.45Å; S716-W720 WeakPolarHBondContact O-CB 3.42Å; S716-W720 PolarHBondContact O-N 2.77Å |
| 717 | E | 87.4 | Confident | 85.3 | Confident | 68 Ų | 68 | 49.5 Ų | 49.5 | 32% | 0.318 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -70.3 | -44.6 | -178.3 | -148.6 | 171.6 | 129.8 | 0 | 0 | 113.5 | K713 P714 L719 W720 R721 | K713-E717 IonicContact NZ-OE2 2.6Å; K713-E717 PolarHBondContact NZ-OE2 2.86Å; K713-E717 PolarHBondContact O-N 3.17Å; P714-E717 PolarHBondContact O-N 3.06Å; E717-L719 PolarHBondContact O-N 3.5Å; E717-W720 PolarHBondContact O-N 3.13Å; E717-W720 VanDerWaalsContact O-N 3.14Å; E717-R721 WeakPolarHBondContact O-CG 3.33Å; E717-R721 PolarHBondContact O-N 3.28Å; E717-R721 IonicContact OE1-CZ 2.67Å; E717-R721 IonicContact OE1-NE 2.92Å; E717-R721 PolarHBondContact OE1-NE 3.45Å; E717-R721 IonicContact OE1-NH2 2.7Å; E717-R721 PolarHBondContact OE1-NH2 3.41Å |
| 718 | A | 85.1 | Confident | 84.9 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.8 | -36.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P714 Q722 | P714-A718 WeakPolarHBondContact O-CB 3.41Å; P714-A718 PolarHBondContact O-N 3.34Å; A718-Q722 WeakPolarHBondContact O-CG 3.31Å; A718-Q722 PolarHBondContact O-N 2.88Å |
| 719 | L | 87.5 | Confident | 84.3 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.6 | -42 | 172.9 | -172.8 | 65.6 | 0 | 0 | 0 | 111.9 | L656 K659 I662 L663 R715 S716 E717 Q722 F723 | L656-L719 HydrophobicContact CD1-CD2 4.47Å; L656-L719 HydrophobicContact CD1-CG 4.44Å; K659-L719 HydrophobicContact CB-CD1 4.42Å; K659-L719 HydrophobicContact CB-CD2 3.66Å; K659-L719 HydrophobicContact CD-CD1 3.76Å; K659-L719 HydrophobicContact CD-CD2 4.28Å; I662-L719 HydrophobicContact CB-CD2 4.36Å; I662-L719 HydrophobicContact CG2-CD2 4.42Å; L663-L719 HydrophobicContact CB-CD2 3.86Å; R715-L719 WeakPolarHBondContact O-CB 3.35Å; R715-L719 PolarHBondContact O-N 3.39Å; R715-L719 VanDerWaalsContact O-N 3.09Å; S716-L719 PolarHBondContact O-N 3.45Å; E717-L719 PolarHBondContact O-N 3.5Å; L719-Q722 PolarHBondContact O-N 2.63Å; L719-F723 HydrophobicContact CD1-CD2 3.72Å; L719-F723 HydrophobicContact CD1-CE2 3.71Å; L719-F723 HydrophobicContact CG-CD2 4.36Å; L719-F723 WeakPolarHBondContact O-CD2 3.34Å; L719-F723 PolarHBondContact O-N 2.85Å |
| 720 | W | 87 | Confident | 82.9 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.3 | -48.6 | 175.3 | 176.4 | -103.1 | 0 | 0 | 0 | 111.8 | L663 S716 E717 Q722 F723 S724 F729 L744 D745 | L663-W720 HydrophobicContact CD1-CB 4.21Å; L663-W720 HydrophobicContact CD1-CE3 4.24Å; S716-W720 WeakPolarHBondContact O-CB 3.42Å; S716-W720 PolarHBondContact O-N 2.77Å; E717-W720 PolarHBondContact O-N 3.13Å; E717-W720 VanDerWaalsContact O-N 3.14Å; W720-Q722 PolarHBondContact O-N 2.94Å; W720-Q722 VanDerWaalsContact O-N 3.1Å; W720-F723 CarbonylContact O-C 3.57Å; W720-F723 PolarHBondContact O-N 2.8Å; W720-S724 WeakPolarHBondContact O-CB 3.45Å; W720-S724 PolarHBondContact O-N 3.18Å; W720-F729 HydrophobicContact CE3-CD2 4.36Å; W720-F729 HydrophobicContact CE3-CE2 4.23Å; W720-F729 HydrophobicContact CH2-CB 4.05Å; W720-F729 HydrophobicContact CH2-CD1 4.33Å; W720-F729 HydrophobicContact CH2-CD2 4.19Å; W720-F729 AromaticContact CH2-CG 3.95Å; W720-F729 HydrophobicContact CH2-CG 3.95Å; W720-F729 HydrophobicContact CZ3-CB 4.22Å; W720-F729 AromaticContact CZ3-CD1 3.84Å; W720-F729 HydrophobicContact CZ3-CD1 3.84Å; W720-F729 AromaticContact CZ3-CD2 3.55Å; W720-F729 HydrophobicContact CZ3-CD2 3.55Å; W720-F729 HydrophobicContact CZ3-CE1 4.04Å; W720-F729 AromaticContact CZ3-CE2 3.76Å; W720-F729 HydrophobicContact CZ3-CE2 3.76Å; W720-F729 AromaticContact CZ3-CG 3.61Å; W720-F729 HydrophobicContact CZ3-CG 3.61Å; W720-F729 HydrophobicContact CZ3-CZ 4.01Å; W720-L744 HydrophobicContact CE3-CD2 4.41Å; W720-L744 HydrophobicContact CH2-CB 3.72Å; W720-L744 HydrophobicContact CH2-CD2 4.47Å; W720-L744 HydrophobicContact CZ2-CB 4.35Å; W720-L744 HydrophobicContact CZ3-CB 3.87Å; W720-L744 HydrophobicContact CZ3-CD2 3.81Å; W720-L744 HydrophobicContact CZ3-CG 4.24Å; W720-D745 HydrophobicContact CG-CB 4.5Å |
| 721 | R | 85.9 | Confident | 81.3 | Confident | 107 Ų | 107 | 52.7 Ų | 52.7 | 40% | 0.404 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.1 | -21.3 | 179.2 | -65.3 | 174.9 | -161.1 | 154.7 | -3.5 | 113.9 | E717 D867 | E717-R721 WeakPolarHBondContact O-CG 3.33Å; E717-R721 PolarHBondContact O-N 3.28Å; E717-R721 IonicContact OE1-CZ 2.67Å; E717-R721 IonicContact OE1-NE 2.92Å; E717-R721 PolarHBondContact OE1-NE 3.45Å; E717-R721 IonicContact OE1-NH2 2.7Å; E717-R721 PolarHBondContact OE1-NH2 3.41Å; R721-D867 IonicContact CZ-OD1 3.77Å; R721-D867 IonicContact NH1-OD1 3.36Å; R721-D867 PolarHBondContact NH1-OD1 2.97Å; R721-D867 IonicContact NH1-OD2 3.51Å; R721-D867 PolarHBondContact NH1-OD2 3.44Å; R721-D867 IonicContact NH2-OD1 2.69Å; R721-D867 PolarHBondContact NH2-OD1 2.92Å |
| 722 | Q | 84.3 | Confident | 79.7 | Confident | 128 Ų | 128 | 58 Ų | 58 | 60% | 0.598 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -84.8 | -20.5 | 174.9 | -71.1 | 170.9 | 17.5 | 0 | 0 | 113.5 | A718 L719 W720 | A718-Q722 WeakPolarHBondContact O-CG 3.31Å; A718-Q722 PolarHBondContact O-N 2.88Å; L719-Q722 PolarHBondContact O-N 2.63Å; W720-Q722 PolarHBondContact O-N 2.94Å; W720-Q722 VanDerWaalsContact O-N 3.1Å |
| 723 | F | 83.3 | Confident | 78 | Confident | 37 Ų | 37 | 62.2 Ų | 62.2 | 16% | 0.162 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -134.5 | 8 | -169.6 | -65.6 | -72.9 | 0 | 0 | 0 | 114.4 | P653 I655 L656 L719 W720 D725 C726 F729 | P653-F723 HydrophobicContact CB-CD1 4.48Å; P653-F723 HydrophobicContact CB-CE1 4.12Å; P653-F723 HydrophobicContact CG-CD1 4.18Å; P653-F723 HydrophobicContact CG-CE1 4.26Å; I655-F723 HydrophobicContact CB-CZ 4.31Å; I655-F723 HydrophobicContact CG2-CE2 4.35Å; I655-F723 HydrophobicContact CG2-CZ 4.12Å; L656-F723 HydrophobicContact CD1-CB 4.28Å; L656-F723 HydrophobicContact CD1-CD2 4.31Å; L656-F723 HydrophobicContact CD1-CG 4.34Å; L656-F723 HydrophobicContact CD2-CB 4.43Å; L719-F723 HydrophobicContact CD1-CD2 3.72Å; L719-F723 HydrophobicContact CD1-CE2 3.71Å; L719-F723 HydrophobicContact CG-CD2 4.36Å; L719-F723 WeakPolarHBondContact O-CD2 3.34Å; L719-F723 PolarHBondContact O-N 2.85Å; W720-F723 CarbonylContact O-C 3.57Å; W720-F723 PolarHBondContact O-N 2.8Å; F723-D725 PolarHBondContact O-N 3.06Å; F723-C726 HydrophobicContact CB-CB 4.41Å; F723-C726 WeakPolarHBondContact O-CB 3.37Å; F723-C726 PolarHBondContact O-N 2.94Å; F723-F729 WeakPolarHBondContact O-CD2 3.33Å |
| 724 | S | 79.5 | Confident | 76.5 | Confident | 36 Ų | 36 | 61.4 Ų | 61.4 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -37 | 178.4 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | W720 C726 | W720-S724 WeakPolarHBondContact O-CB 3.45Å; W720-S724 PolarHBondContact O-N 3.18Å; S724-C726 VanDerWaalsContact C-N 3.25Å; S724-C726 PolarHBondContact O-N 2.78Å |
| 725 | D | 77 | Confident | 75.3 | Confident | 120 Ų | 120 | 62 Ų | 62 | 64% | 0.642 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 12 | 176.3 | -66.8 | -56.2 | 0 | 0 | 0 | 114 | F723 Q730 | F723-D725 PolarHBondContact O-N 3.06Å; D725-Q730 PolarHBondContact O-NE2 2.97Å; D725-Q730 PolarHBondContact OD1-NE2 3Å |
| 726 | C | 79.8 | Confident | 73.8 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 11% | 0.108 | 31% | 0.309 | C | S | . | . | trans | -66.1 | 136.9 | 174 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | P653 F723 S724 F728 F729 Q730 | P653-C726 WeakPolarHBondContact CD-SG 3.42Å; F723-C726 HydrophobicContact CB-CB 4.41Å; F723-C726 WeakPolarHBondContact O-CB 3.37Å; F723-C726 PolarHBondContact O-N 2.94Å; S724-C726 VanDerWaalsContact C-N 3.25Å; S724-C726 PolarHBondContact O-N 2.78Å; C726-F728 PolarHBondContact O-N 3.16Å; C726-F729 HydrophobicContact CB-CD2 4.18Å; C726-F729 PolarHBondContact O-N 3.3Å; C726-Q730 PolarHBondContact O-N 2.96Å | ||
| 727 | A | 73.8 | Confident | 72.3 | Confident | 52 Ų | 52 | 68.8 Ų | 68.8 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -49.5 | -38.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F729 Q730 M731 | A727-F729 PolarHBondContact O-N 3.42Å; A727-Q730 PolarHBondContact O-N 3.17Å; A727-M731 WeakPolarHBondContact O-CB 3.48Å; A727-M731 PolarHBondContact O-N 3.5Å |
| 728 | F | 77.9 | Confident | 71.2 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.6 | -41.7 | 173.6 | 179.5 | -98.4 | 0 | 0 | 0 | 114.6 | E642 M643 L648 L651 L652 C726 | E642-F728 HydrophobicContact CB-CZ 4.32Å; M643-F728 HydrophobicContact CB-CZ 4.25Å; M643-F728 HydrophobicContact CG-CD1 4.46Å; M643-F728 HydrophobicContact CG-CE1 3.5Å; M643-F728 VanDerWaalsContact CG-CE1 3.5Å; M643-F728 HydrophobicContact CG-CE2 4.3Å; M643-F728 HydrophobicContact CG-CZ 3.4Å; M643-F728 VanDerWaalsContact CG-CZ 3.4Å; M643-F728 HydrophobicContact SD-CE1 4.41Å; L648-F728 HydrophobicContact CB-CD2 4.36Å; L648-F728 HydrophobicContact CB-CE2 4.15Å; L648-F728 HydrophobicContact CD1-CE2 3.98Å; L651-F728 HydrophobicContact CB-CB 4.48Å; L652-F728 HydrophobicContact CD1-CD2 3.99Å; L652-F728 HydrophobicContact CD1-CE2 3.95Å; L652-F728 HydrophobicContact CD2-CB 3.85Å; L652-F728 HydrophobicContact CD2-CD1 3.65Å; L652-F728 HydrophobicContact CD2-CD2 3.61Å; L652-F728 HydrophobicContact CD2-CE1 4.07Å; L652-F728 HydrophobicContact CD2-CE2 4.03Å; L652-F728 HydrophobicContact CD2-CG 3.4Å; L652-F728 VanDerWaalsContact CD2-CG 3.4Å; L652-F728 HydrophobicContact CD2-CZ 4.25Å; L652-F728 HydrophobicContact CG-CB 4.26Å; L652-F728 HydrophobicContact CG-CD2 3.65Å; L652-F728 HydrophobicContact CG-CE2 4.12Å; L652-F728 HydrophobicContact CG-CG 3.92Å; C726-F728 PolarHBondContact O-N 3.16Å |
| 729 | F | 74.9 | Confident | 70.2 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 7% | 0.066 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -87.9 | -31.8 | 178.6 | -61.1 | -59.3 | 0 | 0 | 0 | 112.9 | Y639 L656 L663 W720 F723 C726 A727 M731 L744 | Y639-F729 HydrophobicContact CD1-CD1 4.16Å; Y639-F729 HydrophobicContact CD1-CE1 4.38Å; Y639-F729 HydrophobicContact CE1-CD1 4.42Å; L656-F729 HydrophobicContact CD1-CE2 4.39Å; L656-F729 HydrophobicContact CD2-CE2 3.62Å; L656-F729 HydrophobicContact CD2-CZ 4Å; L663-F729 HydrophobicContact CD2-CE1 4.36Å; L663-F729 HydrophobicContact CD2-CE2 4.49Å; L663-F729 HydrophobicContact CD2-CZ 3.63Å; W720-F729 HydrophobicContact CE3-CD2 4.36Å; W720-F729 HydrophobicContact CE3-CE2 4.23Å; W720-F729 HydrophobicContact CH2-CB 4.05Å; W720-F729 HydrophobicContact CH2-CD1 4.33Å; W720-F729 HydrophobicContact CH2-CD2 4.19Å; W720-F729 AromaticContact CH2-CG 3.95Å; W720-F729 HydrophobicContact CH2-CG 3.95Å; W720-F729 HydrophobicContact CZ3-CB 4.22Å; W720-F729 AromaticContact CZ3-CD1 3.84Å; W720-F729 HydrophobicContact CZ3-CD1 3.84Å; W720-F729 AromaticContact CZ3-CD2 3.55Å; W720-F729 HydrophobicContact CZ3-CD2 3.55Å; W720-F729 HydrophobicContact CZ3-CE1 4.04Å; W720-F729 AromaticContact CZ3-CE2 3.76Å; W720-F729 HydrophobicContact CZ3-CE2 3.76Å; W720-F729 AromaticContact CZ3-CG 3.61Å; W720-F729 HydrophobicContact CZ3-CG 3.61Å; W720-F729 HydrophobicContact CZ3-CZ 4.01Å; F723-F729 WeakPolarHBondContact O-CD2 3.33Å; C726-F729 HydrophobicContact CB-CD2 4.18Å; C726-F729 PolarHBondContact O-N 3.3Å; A727-F729 PolarHBondContact O-N 3.42Å; F729-M731 VanDerWaalsContact C-N 3.3Å; F729-L744 HydrophobicContact CD1-CD2 3.92Å; F729-L744 HydrophobicContact CE1-CD2 3.52Å; F729-L744 HydrophobicContact CZ-CD2 4.26Å |
| 730 | Q | 62.3 | Low | 69.6 | Low | 114 Ų | 114 | 74.8 Ų | 74.8 | 53% | 0.533 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -73 | -20.8 | 174.3 | -69.6 | -170.1 | -12.3 | 0 | 0 | 113.1 | D725 C726 A727 K732 | D725-Q730 PolarHBondContact O-NE2 2.97Å; D725-Q730 PolarHBondContact OD1-NE2 3Å; C726-Q730 PolarHBondContact O-N 2.96Å; A727-Q730 PolarHBondContact O-N 3.17Å; Q730-K732 PolarHBondContact O-N 3.36Å; Q730-K732 VanDerWaalsContact O-N 3.16Å |
| 731 | M | 55.7 | Low | 68.6 | Low | 80 Ų | 80 | 82.4 Ų | 82.4 | 39% | 0.394 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -68.6 | 117 | 179.8 | -161.6 | 170.3 | -171.8 | 0 | 0 | 109.6 | L651 A727 F729 E733 | L651-M731 HydrophobicContact CD1-SD 3.53Å; L651-M731 VanDerWaalsContact CD1-SD 3.53Å; A727-M731 WeakPolarHBondContact O-CB 3.48Å; A727-M731 PolarHBondContact O-N 3.5Å; F729-M731 VanDerWaalsContact C-N 3.3Å; M731-E733 VanDerWaalsContact CE-OE2 3.24Å; M731-E733 WeakPolarHBondContact CE-OE2 3.38Å; M731-E733 HydrophobicContact CG-CB 4.16Å; M731-E733 PolarHBondContact O-N 3.17Å |
| 732 | K | 51.6 | Low | 68.3 | Low | 148 Ų | 148 | 81.6 Ų | 81.6 | 64% | 0.643 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -57.4 | -3.1 | 179.4 | -79.7 | 174.3 | 173.5 | 170 | 0 | 114.7 | Q730 K736 | Q730-K732 PolarHBondContact O-N 3.36Å; Q730-K732 VanDerWaalsContact O-N 3.16Å; K732-K736 HydrophobicContact CB-CD 4.23Å; K732-K736 HydrophobicContact CB-CG 4.27Å; K732-K736 WeakPolarHBondContact O-CB 3.46Å; K732-K736 WeakPolarHBondContact O-CG 3.48Å; K732-K736 PolarHBondContact O-N 2.88Å |
| 733 | E | 54.3 | Low | 68.1 | Low | 99 Ų | 99 | 76.7 Ų | 76.7 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.1 | -56.8 | -179.4 | -147.9 | 113.6 | -115 | 0 | 0 | 111.2 | M731 K737 | M731-E733 VanDerWaalsContact CE-OE2 3.24Å; M731-E733 WeakPolarHBondContact CE-OE2 3.38Å; M731-E733 HydrophobicContact CG-CB 4.16Å; M731-E733 PolarHBondContact O-N 3.17Å; E733-K737 VanDerWaalsContact O-CB 3.28Å; E733-K737 WeakPolarHBondContact O-CB 3.4Å; E733-K737 WeakPolarHBondContact O-CD 3.27Å; E733-K737 WeakPolarHBondContact O-CG 3.43Å; E733-K737 PolarHBondContact O-N 2.76Å |
| 734 | C | 58.1 | Low | 68.2 | Low | 5 Ų | 5 | 75.1 Ų | 75.1 | 3% | 0.034 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.2 | -48.3 | 178.9 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | G638 Y639 K736 K737 L738 | G638-C734 VanDerWaalsContact O-CB 3.26Å; G638-C734 WeakPolarHBondContact O-CB 3.49Å; G638-C734 PolarHBondContact O-SG 3.36Å; Y639-C734 HydrophobicContact CE1-CB 4.41Å; C734-K736 PolarHBondContact O-N 3.46Å; C734-K737 PolarHBondContact O-N 3.33Å; C734-L738 WeakPolarHBondContact O-CG 3.37Å; C734-L738 PolarHBondContact O-N 3.45Å |
| 735 | Q | 60.1 | Low | 68.5 | Low | 65 Ų | 65 | 76.6 Ų | 76.6 | 30% | 0.304 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70 | -29.2 | -176 | -159.7 | 176.6 | 24 | 0 | 0 | 113.2 | E739 H740 L742 | Q735-E739 PolarHBondContact O-N 3.09Å; Q735-H740 HydrophobicContact CG-CB 4.09Å; Q735-H740 WeakPolarHBondContact CG-O 3.46Å; Q735-H740 PolarHBondContact O-N 2.68Å; Q735-L742 PolarHBondContact NE2-O 3.11Å |
| 736 | K | 54 | Low | 69 | Low | 152 Ų | 152 | 72.7 Ų | 72.7 | 66% | 0.661 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -76.9 | -40.7 | 169.6 | -73.9 | -178.8 | 167.7 | -168.4 | 0 | 112.9 | K732 C734 L738 E739 | K732-K736 HydrophobicContact CB-CD 4.23Å; K732-K736 HydrophobicContact CB-CG 4.27Å; K732-K736 WeakPolarHBondContact O-CB 3.46Å; K732-K736 WeakPolarHBondContact O-CG 3.48Å; K732-K736 PolarHBondContact O-N 2.88Å; C734-K736 PolarHBondContact O-N 3.46Å; K736-L738 PolarHBondContact O-N 2.94Å; K736-L738 VanDerWaalsContact O-N 3.14Å; K736-E739 PolarHBondContact O-N 3.4Å; K736-E739 VanDerWaalsContact O-N 3.07Å |
| 737 | K | 59.9 | Low | 69.4 | Low | 121 Ų | 121 | 72.8 Ų | 72.8 | 53% | 0.526 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -54.4 | -31.5 | 176.9 | -82.7 | 168.8 | 176 | 173.8 | 0 | 112.1 | E642 E733 C734 | E642-K737 IonicContact OE1-NZ 2.66Å; E642-K737 PolarHBondContact OE1-NZ 3.16Å; E733-K737 VanDerWaalsContact O-CB 3.28Å; E733-K737 WeakPolarHBondContact O-CB 3.4Å; E733-K737 WeakPolarHBondContact O-CD 3.27Å; E733-K737 WeakPolarHBondContact O-CG 3.43Å; E733-K737 PolarHBondContact O-N 2.76Å; C734-K737 PolarHBondContact O-N 3.33Å |
| 738 | L | 63.4 | Low | 70.3 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -4.1 | 179.5 | -60.2 | -179.9 | 0 | 0 | 0 | 114.8 | S634 Y639 C734 K736 H740 | S634-L738 VanDerWaalsContact O-CD1 3.32Å; S634-L738 WeakPolarHBondContact O-CD1 3.25Å; Y639-L738 HydrophobicContact CD2-CD1 3.74Å; Y639-L738 HydrophobicContact CE2-CD1 3.53Å; C734-L738 WeakPolarHBondContact O-CG 3.37Å; C734-L738 PolarHBondContact O-N 3.45Å; K736-L738 PolarHBondContact O-N 2.94Å; K736-L738 VanDerWaalsContact O-N 3.14Å; L738-H740 HydrophobicContact CB-CB 4.44Å; L738-H740 PolarHBondContact O-CD2 2.98Å; L738-H740 VanDerWaalsContact O-CD2 3.24Å; L738-H740 PolarHBondContact O-N 3.14Å |
| 739 | E | 63.5 | Low | 70.9 | Confident | 171 Ų | 171 | 73.6 Ų | 73.6 | 80% | 0.799 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 22.3 | -171.5 | -54.5 | -163.6 | 164.9 | 0 | 0 | 115.7 | Q735 K736 K741 | Q735-E739 PolarHBondContact O-N 3.09Å; K736-E739 PolarHBondContact O-N 3.4Å; K736-E739 VanDerWaalsContact O-N 3.07Å; E739-K741 PolarHBondContact O-N 2.98Å |
| 740 | H | 74.3 | Confident | 71.8 | Confident | 19 Ų | 19 | 73.4 Ų | 73.4 | 9% | 0.088 | 35% | 0.353 | C | S | . | . | trans | -65.4 | 120.8 | -173.6 | -85.3 | -161 | 0 | 0 | 0 | 112.6 | S634 Y639 Q735 L738 Y747 | S634-H740 WeakPolarHBondContact CB-NE2 3.3Å; S634-H740 PolarHBondContact OG-CE1 3.41Å; S634-H740 VanDerWaalsContact OG-CE1 3.25Å; S634-H740 PolarHBondContact OG-NE2 3.33Å; Y639-H740 AromaticContact CE2-ND1 3.73Å; Q735-H740 HydrophobicContact CG-CB 4.09Å; Q735-H740 WeakPolarHBondContact CG-O 3.46Å; Q735-H740 PolarHBondContact O-N 2.68Å; L738-H740 HydrophobicContact CB-CB 4.44Å; L738-H740 PolarHBondContact O-CD2 2.98Å; L738-H740 VanDerWaalsContact O-CD2 3.24Å; L738-H740 PolarHBondContact O-N 3.14Å; H740-Y747 HydrophobicContact CB-CE2 3.8Å; H740-Y747 AromaticContact CD2-CZ 3.75Å; H740-Y747 AromaticContact CE1-CD1 3.6Å; H740-Y747 AromaticContact CE1-CE1 3.38Å; H740-Y747 WeakPolarHBondContact CE1-CE1 3.48Å; H740-Y747 AromaticContact CE1-CE2 3.94Å; H740-Y747 AromaticContact CE1-CG 3.97Å; H740-Y747 AromaticContact CE1-CZ 3.58Å; H740-Y747 AromaticContact CG-CE2 3.59Å; H740-Y747 AromaticContact CG-CZ 3.46Å; H740-Y747 VanDerWaalsContact CG-CZ 3.46Å; H740-Y747 AromaticContact ND1-CD1 3.91Å; H740-Y747 AromaticContact ND1-CD2 3.57Å; H740-Y747 AromaticContact ND1-CE1 3.64Å; H740-Y747 AromaticContact ND1-CE2 3.3Å; H740-Y747 VanDerWaalsContact ND1-CE2 3.3Å; H740-Y747 WeakPolarHBondContact ND1-CE2 3.36Å; H740-Y747 AromaticContact ND1-CG 3.88Å; H740-Y747 AromaticContact ND1-CZ 3.35Å; H740-Y747 AromaticContact NE2-CE1 3.67Å; H740-Y747 AromaticContact NE2-CZ 3.83Å | ||
| 741 | K | 67.6 | Low | 73.3 | Confident | 197 Ų | 197 | 68 Ų | 68 | 86% | 0.857 | 33% | 0.328 | S | S | * | . | trans | -80.9 | -13.6 | -177 | -64 | 173.1 | -175 | 166.2 | 0 | 114.5 | E739 | E739-K741 PolarHBondContact O-N 2.98Š| ||
| 742 | L | 78.1 | Confident | 75 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 47% | 0.471 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -121.5 | 164.9 | -177.5 | -59.7 | 175.8 | 0 | 0 | 0 | 111.3 | Q735 Y747 | Q735-L742 PolarHBondContact NE2-O 3.11Å; L742-Y747 HydrophobicContact CB-CD2 4.31Å; L742-Y747 HydrophobicContact CB-CE2 3.83Å |
| 743 | G | 80.1 | Confident | 76.9 | Confident | 26 Ų | 26 | 63.8 Ų | 63.8 | 27% | 0.268 | 31% | 0.313 | S | S | . | . | trans | -69.8 | 157.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D745 S746 Y747 | G743-D745 VanDerWaalsContact C-OD1 3.26Å; G743-D745 WeakPolarHBondContact CA-OD1 3.31Å; G743-D745 PolarHBondContact O-N 3.37Å; G743-S746 WeakPolarHBondContact O-CB 3.5Å; G743-S746 PolarHBondContact O-N 3.42Å; G743-Y747 WeakPolarHBondContact O-CD2 3.36Å; G743-Y747 PolarHBondContact O-N 2.83Å | ||
| 744 | L | 85.6 | Confident | 78.9 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -36.7 | -178.9 | 177.9 | 59.9 | 0 | 0 | 0 | 111.1 | V635 Y639 F664 W720 F729 S746 Y747 L748 | V635-L744 HydrophobicContact CG1-CD1 4.13Å; Y639-L744 HydrophobicContact CD1-CD1 4.2Å; Y639-L744 HydrophobicContact CD1-CD2 3.79Å; Y639-L744 HydrophobicContact CD1-CG 4.39Å; Y639-L744 HydrophobicContact CD2-CD1 3.9Å; Y639-L744 HydrophobicContact CE1-CB 4.22Å; Y639-L744 HydrophobicContact CE1-CD1 4.49Å; Y639-L744 HydrophobicContact CE1-CD2 4.29Å; Y639-L744 HydrophobicContact CE2-CD1 4.21Å; Y639-L744 HydrophobicContact CG-CD1 3.88Å; Y639-L744 HydrophobicContact CG-CD2 4.12Å; F664-L744 HydrophobicContact CE1-CD1 4.49Å; F664-L744 HydrophobicContact CE1-CD2 4.04Å; F664-L744 HydrophobicContact CZ-CD2 4.35Å; W720-L744 HydrophobicContact CE3-CD2 4.41Å; W720-L744 HydrophobicContact CH2-CB 3.72Å; W720-L744 HydrophobicContact CH2-CD2 4.47Å; W720-L744 HydrophobicContact CZ2-CB 4.35Å; W720-L744 HydrophobicContact CZ3-CB 3.87Å; W720-L744 HydrophobicContact CZ3-CD2 3.81Å; W720-L744 HydrophobicContact CZ3-CG 4.24Å; F729-L744 HydrophobicContact CD1-CD2 3.92Å; F729-L744 HydrophobicContact CE1-CD2 3.52Å; F729-L744 HydrophobicContact CZ-CD2 4.26Å; L744-S746 PolarHBondContact O-N 3.42Å; L744-Y747 CarbonylContact O-C 3.41Å; L744-Y747 WeakPolarHBondContact O-CA 3.34Å; L744-Y747 WeakPolarHBondContact O-CB 3.43Å; L744-Y747 PolarHBondContact O-N 3.38Å; L744-L748 HydrophobicContact CD1-CD2 4.2Å; L744-L748 HydrophobicContact CD1-CG 4.09Å; L744-L748 HydrophobicContact CD2-CD1 4.41Å; L744-L748 HydrophobicContact CG-CD1 3.98Å; L744-L748 HydrophobicContact CG-CD2 4.48Å; L744-L748 HydrophobicContact CG-CG 3.94Å; L744-L748 WeakPolarHBondContact O-CB 3.45Å; L744-L748 VanDerWaalsContact O-CG 3.26Å; L744-L748 WeakPolarHBondContact O-CG 3.49Å; L744-L748 PolarHBondContact O-N 3.3Å |
| 745 | D | 85.7 | Confident | 80.5 | Confident | 68 Ų | 68 | 59.7 Ų | 59.7 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -39.3 | 172 | 59.1 | -73.5 | 0 | 0 | 0 | 114.6 | W720 G743 L748 L749 | W720-D745 HydrophobicContact CG-CB 4.5Å; G743-D745 VanDerWaalsContact C-OD1 3.26Å; G743-D745 WeakPolarHBondContact CA-OD1 3.31Å; G743-D745 PolarHBondContact O-N 3.37Å; D745-L748 VanDerWaalsContact C-N 3.32Å; D745-L748 CarbonylContact O-C 3.58Å; D745-L748 WeakPolarHBondContact O-CA 3.46Å; D745-L748 WeakPolarHBondContact O-CB 3.42Å; D745-L748 PolarHBondContact O-N 2.93Å; D745-L749 PolarHBondContact O-N 3.31Å |
| 746 | S | 87.8 | Confident | 82 | Confident | 38 Ų | 38 | 59.5 Ų | 59.5 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -73.6 | -43.7 | 179.7 | -64.4 | 0 | 0 | 0 | 0 | 109.1 | G743 L744 L748 L749 K750 | G743-S746 WeakPolarHBondContact O-CB 3.5Å; G743-S746 PolarHBondContact O-N 3.42Å; L744-S746 PolarHBondContact O-N 3.42Å; S746-L748 PolarHBondContact O-N 3.3Å; S746-L748 VanDerWaalsContact O-N 3.16Å; S746-L749 PolarHBondContact O-N 3.39Å; S746-L749 VanDerWaalsContact O-N 3.16Å; S746-K750 WeakPolarHBondContact O-CD 3.42Å; S746-K750 WeakPolarHBondContact O-CE 3.46Å |
| 747 | Y | 88.9 | Confident | 83.8 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -64.7 | -0.2 | 161.9 | -66.6 | -84.3 | 0 | 0 | 0 | 114 | R597 E631 V635 H740 L742 G743 L744 | R597-Y747 WeakPolarHBondContact CD-O 3.46Å; E631-Y747 HydrophobicContact CB-CD1 4.49Å; E631-Y747 HydrophobicContact CB-CE1 4.24Å; E631-Y747 HydrophobicContact CG-CE1 4.4Å; E631-Y747 WeakPolarHBondContact OE2-CE1 3.38Å; V635-Y747 HydrophobicContact CG2-CD1 3.98Å; V635-Y747 HydrophobicContact CG2-CG 4.19Å; H740-Y747 HydrophobicContact CB-CE2 3.8Å; H740-Y747 AromaticContact CD2-CZ 3.75Å; H740-Y747 AromaticContact CE1-CD1 3.6Å; H740-Y747 AromaticContact CE1-CE1 3.38Å; H740-Y747 WeakPolarHBondContact CE1-CE1 3.48Å; H740-Y747 AromaticContact CE1-CE2 3.94Å; H740-Y747 AromaticContact CE1-CG 3.97Å; H740-Y747 AromaticContact CE1-CZ 3.58Å; H740-Y747 AromaticContact CG-CE2 3.59Å; H740-Y747 AromaticContact CG-CZ 3.46Å; H740-Y747 VanDerWaalsContact CG-CZ 3.46Å; H740-Y747 AromaticContact ND1-CD1 3.91Å; H740-Y747 AromaticContact ND1-CD2 3.57Å; H740-Y747 AromaticContact ND1-CE1 3.64Å; H740-Y747 AromaticContact ND1-CE2 3.3Å; H740-Y747 VanDerWaalsContact ND1-CE2 3.3Å; H740-Y747 WeakPolarHBondContact ND1-CE2 3.36Å; H740-Y747 AromaticContact ND1-CG 3.88Å; H740-Y747 AromaticContact ND1-CZ 3.35Å; H740-Y747 AromaticContact NE2-CE1 3.67Å; H740-Y747 AromaticContact NE2-CZ 3.83Å; L742-Y747 HydrophobicContact CB-CD2 4.31Å; L742-Y747 HydrophobicContact CB-CE2 3.83Å; G743-Y747 WeakPolarHBondContact O-CD2 3.36Å; G743-Y747 PolarHBondContact O-N 2.83Å; L744-Y747 CarbonylContact O-C 3.41Å; L744-Y747 WeakPolarHBondContact O-CA 3.34Å; L744-Y747 WeakPolarHBondContact O-CB 3.43Å; L744-Y747 PolarHBondContact O-N 3.38Å |
| 748 | L | 91.6 | Very high | 85.5 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -116.1 | 20.9 | 171.4 | -62.1 | -178.3 | 0 | 0 | 0 | 112.7 | R597 L663 F664 M667 K713 L744 D745 S746 | R597-L748 VanDerWaalsContact NE-CA 3.26Å; R597-L748 PolarHBondContact NE-O 2.98Å; R597-L748 VanDerWaalsContact NH1-CA 3.31Å; R597-L748 VanDerWaalsContact NH2-C 3.34Å; R597-L748 PolarHBondContact NH2-O 2.86Å; L663-L748 HydrophobicContact CD1-CD1 3.91Å; L663-L748 HydrophobicContact CG-CD1 4.26Å; F664-L748 HydrophobicContact CD1-CD1 4.48Å; F664-L748 HydrophobicContact CD1-CD2 3.77Å; F664-L748 HydrophobicContact CE1-CD2 4.06Å; M667-L748 HydrophobicContact CE-CD2 4.12Å; K713-L748 VanDerWaalsContact CD-O 3.25Å; K713-L748 WeakPolarHBondContact CD-O 3.3Å; K713-L748 WeakPolarHBondContact CE-O 3.38Å; L744-L748 HydrophobicContact CD1-CD2 4.2Å; L744-L748 HydrophobicContact CD1-CG 4.09Å; L744-L748 HydrophobicContact CD2-CD1 4.41Å; L744-L748 HydrophobicContact CG-CD1 3.98Å; L744-L748 HydrophobicContact CG-CD2 4.48Å; L744-L748 HydrophobicContact CG-CG 3.94Å; L744-L748 WeakPolarHBondContact O-CB 3.45Å; L744-L748 VanDerWaalsContact O-CG 3.26Å; L744-L748 WeakPolarHBondContact O-CG 3.49Å; L744-L748 PolarHBondContact O-N 3.3Å; D745-L748 VanDerWaalsContact C-N 3.32Å; D745-L748 CarbonylContact O-C 3.58Å; D745-L748 WeakPolarHBondContact O-CA 3.46Å; D745-L748 WeakPolarHBondContact O-CB 3.42Å; D745-L748 PolarHBondContact O-N 2.93Å; S746-L748 PolarHBondContact O-N 3.3Å; S746-L748 VanDerWaalsContact O-N 3.16Å |
| 749 | L | 92.3 | Very high | 86.8 | Confident | 73 Ų | 73 | 51.1 Ų | 51.1 | 38% | 0.382 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -17.9 | 173.2 | -167.3 | 53.7 | 0 | 0 | 0 | 114.5 | D745 S746 P751 V752 Q753 | D745-L749 PolarHBondContact O-N 3.31Å; S746-L749 PolarHBondContact O-N 3.39Å; S746-L749 VanDerWaalsContact O-N 3.16Å; L749-P751 VanDerWaalsContact C-CD 3.47Å; L749-P751 WeakPolarHBondContact O-CD 3.39Å; L749-V752 WeakPolarHBondContact O-CB 3.28Å; L749-V752 WeakPolarHBondContact O-CG2 3.34Å; L749-Q753 HydrophobicContact CG-CG 4.29Å |
| 750 | K | 92.1 | Very high | 88.1 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -79.2 | -9.4 | -153.7 | -60.4 | 125.7 | 166 | -89.9 | 0 | 122.2 | R597 S598 E631 S746 Q753 R754 | R597-K750 HydrophobicContact CB-CB 4.14Å; R597-K750 HydrophobicContact CB-CD 4.5Å; R597-K750 HydrophobicContact CG-CB 4.17Å; S598-K750 WeakPolarHBondContact OG-CD 3.42Å; S598-K750 WeakPolarHBondContact OG-CE 3.31Å; S598-K750 PolarHBondContact OG-NZ 3.02Å; E631-K750 IonicContact OE2-NZ 3.73Å; E631-K750 PolarHBondContact OE2-NZ 3.47Å; S746-K750 WeakPolarHBondContact O-CD 3.42Å; S746-K750 WeakPolarHBondContact O-CE 3.46Å; K750-Q753 PolarHBondContact O-N 3.11Å; K750-R754 PolarHBondContact O-N 2.87Å |
| 751 | P | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -75.8 | -42.6 | 175.3 | -7.4 | 27.1 | 0 | 0 | 0 | 108.4 | R597 M667 I670 Y706 Y709 L749 Q753 R754 L755 | R597-P751 VanDerWaalsContact CG-CD 3.49Å; R597-P751 HydrophobicContact CG-CG 3.47Å; R597-P751 VanDerWaalsContact CG-CG 3.47Å; M667-P751 HydrophobicContact SD-CG 4.31Å; I670-P751 HydrophobicContact CD1-CB 4.16Å; I670-P751 HydrophobicContact CD1-CG 4.48Å; Y706-P751 HydrophobicContact CD1-CB 3.71Å; Y706-P751 HydrophobicContact CE1-CB 3.46Å; Y706-P751 VanDerWaalsContact CE1-CB 3.46Å; Y706-P751 WeakPolarHBondContact CE1-O 3.48Å; Y709-P751 HydrophobicContact CD1-CB 4.06Å; Y709-P751 HydrophobicContact CD1-CG 3.65Å; Y709-P751 HydrophobicContact CD2-CG 4.42Å; Y709-P751 HydrophobicContact CE1-CG 3.97Å; Y709-P751 HydrophobicContact CG-CB 4.29Å; Y709-P751 HydrophobicContact CG-CG 4.02Å; L749-P751 VanDerWaalsContact C-CD 3.47Å; L749-P751 WeakPolarHBondContact O-CD 3.39Å; P751-Q753 PolarHBondContact O-N 3.08Å; P751-R754 PolarHBondContact O-N 3.39Å; P751-R754 VanDerWaalsContact O-N 3.11Å; P751-L755 WeakPolarHBondContact O-CB 3.41Å; P751-L755 PolarHBondContact O-N 3.29Å |
| 752 | V | 92.4 | Very high | 90 | Very high | 49 Ų | 49 | 37 Ų | 37 | 30% | 0.297 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -48.5 | -44.3 | 165.8 | -158.7 | 0 | 0 | 0 | 0 | 110.5 | L749 T756 | L749-V752 WeakPolarHBondContact O-CB 3.28Å; L749-V752 WeakPolarHBondContact O-CG2 3.34Å; V752-T756 WeakPolarHBondContact O-CB 3.36Å; V752-T756 VanDerWaalsContact O-CG2 3.29Å; V752-T756 WeakPolarHBondContact O-CG2 3.26Å; V752-T756 PolarHBondContact O-N 2.87Å; V752-T756 PolarHBondContact O-OG1 3.46Å |
| 753 | Q | 91.3 | Very high | 90.5 | Very high | 90 Ų | 90 | 38.9 Ų | 38.9 | 42% | 0.421 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70.1 | -44.4 | 175.9 | -60.8 | 177.6 | -22.4 | 0 | 0 | 113.5 | L749 K750 P751 T756 K757 | L749-Q753 HydrophobicContact CG-CG 4.29Å; K750-Q753 PolarHBondContact O-N 3.11Å; P751-Q753 PolarHBondContact O-N 3.08Å; Q753-T756 WeakPolarHBondContact CA-OG1 3.4Å; Q753-T756 PolarHBondContact O-N 2.73Å; Q753-T756 PolarHBondContact O-OG1 3.41Å; Q753-K757 WeakPolarHBondContact O-CB 3.31Å; Q753-K757 WeakPolarHBondContact O-CG 3.48Å; Q753-K757 PolarHBondContact O-N 3.37Å; Q753-K757 VanDerWaalsContact O-N 3.09Å |
| 754 | R | 94.9 | Very high | 90.9 | Very high | 16 Ų | 16 | 41.5 Ų | 41.5 | 6% | 0.06 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.6 | -42.6 | -178.8 | -174.2 | 70.2 | 176 | 160.9 | 0.2 | 112.4 | L621 T624 E625 Y628 K750 P751 T756 K757 Y758 | L621-R754 PolarHBondContact O-NH2 2.93Å; T624-R754 VanDerWaalsContact CB-NH1 3.26Å; T624-R754 PolarHBondContact O-NH1 3.03Å; T624-R754 PolarHBondContact OG1-NH1 3.39Å; T624-R754 PolarHBondContact OG1-NH2 2.96Å; E625-R754 IonicContact OE2-CZ 2.73Å; E625-R754 IonicContact OE2-NE 2.67Å; E625-R754 PolarHBondContact OE2-NE 3.44Å; E625-R754 IonicContact OE2-NH2 3.45Å; E625-R754 PolarHBondContact OE2-NH2 2.95Å; Y628-R754 HydrophobicContact CD1-CG 4.4Å; Y628-R754 HydrophobicContact CD2-CB 3.5Å; Y628-R754 VanDerWaalsContact CD2-CB 3.5Å; Y628-R754 HydrophobicContact CD2-CG 3.35Å; Y628-R754 HydrophobicContact CE1-CG 4.42Å; Y628-R754 HydrophobicContact CE2-CB 3.18Å; Y628-R754 HydrophobicContact CE2-CG 3.44Å; Y628-R754 VanDerWaalsContact CE2-CG 3.44Å; Y628-R754 HydrophobicContact CG-CG 3.97Å; K750-R754 PolarHBondContact O-N 2.87Å; P751-R754 PolarHBondContact O-N 3.39Å; P751-R754 VanDerWaalsContact O-N 3.11Å; R754-T756 VanDerWaalsContact C-N 3.32Å; R754-T756 PolarHBondContact O-N 3.11Å; R754-K757 WeakPolarHBondContact O-CA 3.47Å; R754-K757 WeakPolarHBondContact O-CB 3.28Å; R754-K757 PolarHBondContact O-N 3.24Å; R754-Y758 HydrophobicContact CG-CE1 4.04Å; R754-Y758 HydrophobicContact CG-CE2 3.8Å; R754-Y758 VanDerWaalsContact CG-CZ 3.42Å; R754-Y758 WeakPolarHBondContact CG-OH 3.28Å; R754-Y758 VanDerWaalsContact NE-CE1 3.34Å; R754-Y758 PolarHBondContact NE-OH 3.09Å; R754-Y758 WeakPolarHBondContact O-CD2 3.23Å; R754-Y758 PolarHBondContact O-N 2.95Å; R754-Y758 VanDerWaalsContact O-N 3.09Å |
| 755 | L | 93.3 | Very high | 91 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.1 | -46.2 | 174.2 | -171.2 | 73.1 | 0 | 0 | 0 | 111.1 | Y706 P751 K757 Y758 L788 L789 V792 | Y706-L755 HydrophobicContact CD1-CB 3.79Å; Y706-L755 HydrophobicContact CD1-CD1 4.05Å; Y706-L755 HydrophobicContact CD1-CD2 4.13Å; Y706-L755 HydrophobicContact CD1-CG 4.21Å; Y706-L755 HydrophobicContact CD2-CD1 4.3Å; Y706-L755 HydrophobicContact CE1-CB 3.97Å; Y706-L755 HydrophobicContact CE1-CD1 4.47Å; Y706-L755 HydrophobicContact CG-CD1 3.96Å; Y706-L755 HydrophobicContact CG-CD2 4.27Å; Y706-L755 HydrophobicContact CG-CG 4.49Å; P751-L755 WeakPolarHBondContact O-CB 3.41Å; P751-L755 PolarHBondContact O-N 3.29Å; L755-K757 PolarHBondContact O-N 2.88Å; L755-Y758 PolarHBondContact O-N 2.76Å; L755-L788 HydrophobicContact CD1-CD2 3.76Å; L755-L788 HydrophobicContact CD1-CG 4.35Å; L755-L789 HydrophobicContact CB-CD2 4.34Å; L755-L789 HydrophobicContact CD2-CD2 3.67Å; L755-L789 HydrophobicContact CD2-CG 4.34Å; L755-L789 HydrophobicContact CG-CD2 3.68Å; L755-L789 HydrophobicContact CG-CG 4.12Å; L755-V792 HydrophobicContact CD2-CG1 4.46Å; L755-V792 HydrophobicContact CD2-CG2 4.2Å |
| 756 | T | 91.5 | Very high | 91 | Very high | 61 Ų | 61 | 39.7 Ų | 39.7 | 37% | 0.374 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.6 | -19.1 | 175.8 | 50.3 | 0 | 0 | 0 | 0 | 113.6 | V752 Q753 R754 Q759 L789 | V752-T756 WeakPolarHBondContact O-CB 3.36Å; V752-T756 VanDerWaalsContact O-CG2 3.29Å; V752-T756 WeakPolarHBondContact O-CG2 3.26Å; V752-T756 PolarHBondContact O-N 2.87Å; V752-T756 PolarHBondContact O-OG1 3.46Å; Q753-T756 WeakPolarHBondContact CA-OG1 3.4Å; Q753-T756 PolarHBondContact O-N 2.73Å; Q753-T756 PolarHBondContact O-OG1 3.41Å; R754-T756 VanDerWaalsContact C-N 3.32Å; R754-T756 PolarHBondContact O-N 3.11Å; T756-Q759 PolarHBondContact O-NE2 2.73Å; T756-L789 HydrophobicContact CG2-CD2 3.55Å |
| 757 | K | 91.8 | Very high | 90.9 | Very high | 105 Ų | 105 | 44.4 Ų | 44.4 | 46% | 0.457 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -82.3 | -33.8 | 175.8 | -75.9 | -82.3 | 175.5 | 176.8 | 0 | 113.8 | Q753 R754 L755 Q759 L760 L761 | Q753-K757 WeakPolarHBondContact O-CB 3.31Å; Q753-K757 WeakPolarHBondContact O-CG 3.48Å; Q753-K757 PolarHBondContact O-N 3.37Å; Q753-K757 VanDerWaalsContact O-N 3.09Å; R754-K757 WeakPolarHBondContact O-CA 3.47Å; R754-K757 WeakPolarHBondContact O-CB 3.28Å; R754-K757 PolarHBondContact O-N 3.24Å; L755-K757 PolarHBondContact O-N 2.88Å; K757-Q759 VanDerWaalsContact C-N 3.34Å; K757-Q759 PolarHBondContact O-N 2.95Å; K757-L760 HydrophobicContact CD-CD1 4.31Å; K757-L760 WeakPolarHBondContact O-CA 3.12Å; K757-L760 WeakPolarHBondContact O-CB 3.36Å; K757-L760 PolarHBondContact O-N 2.85Å; K757-L761 PolarHBondContact O-N 3.36Å |
| 758 | Y | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.8 | -44.2 | -178.6 | -66.3 | -49.6 | 0 | 0 | 0 | 113 | L621 E625 H674 F678 F696 F703 R754 L755 L760 L761 L762 | L621-Y758 HydrophobicContact CD1-CD1 4.09Å; L621-Y758 HydrophobicContact CD1-CE1 4.22Å; E625-Y758 PolarHBondContact OE2-OH 2.89Å; H674-Y758 AromaticContact CE1-CZ 3.98Å; H674-Y758 PolarHBondContact CE1-OH 3.22Å; H674-Y758 PolarHBondContact ND1-OH 3.29Å; F678-Y758 AromaticContact CE1-CE1 3.7Å; F678-Y758 HydrophobicContact CE1-CE1 3.7Å; F678-Y758 AromaticContact CE1-CZ 3.75Å; F678-Y758 HydrophobicContact CZ-CE1 4.1Å; F696-Y758 AromaticContact CE1-CD1 3.98Å; F696-Y758 HydrophobicContact CE1-CD1 3.98Å; F696-Y758 HydrophobicContact CE1-CD2 4.34Å; F696-Y758 AromaticContact CE1-CG 3.83Å; F696-Y758 HydrophobicContact CE1-CG 3.83Å; F696-Y758 AromaticContact CZ-CD1 3.7Å; F696-Y758 HydrophobicContact CZ-CD1 3.7Å; F696-Y758 HydrophobicContact CZ-CE1 4.35Å; F696-Y758 HydrophobicContact CZ-CG 4.01Å; F703-Y758 HydrophobicContact CD1-CE2 4.39Å; F703-Y758 HydrophobicContact CE1-CD2 4.14Å; F703-Y758 AromaticContact CE1-CE2 3.68Å; F703-Y758 HydrophobicContact CE1-CE2 3.68Å; R754-Y758 HydrophobicContact CG-CE1 4.04Å; R754-Y758 HydrophobicContact CG-CE2 3.8Å; R754-Y758 VanDerWaalsContact CG-CZ 3.42Å; R754-Y758 WeakPolarHBondContact CG-OH 3.28Å; R754-Y758 VanDerWaalsContact NE-CE1 3.34Å; R754-Y758 PolarHBondContact NE-OH 3.09Å; R754-Y758 WeakPolarHBondContact O-CD2 3.23Å; R754-Y758 PolarHBondContact O-N 2.95Å; R754-Y758 VanDerWaalsContact O-N 3.09Å; L755-Y758 PolarHBondContact O-N 2.76Å; Y758-L760 VanDerWaalsContact C-N 3.27Å; Y758-L760 PolarHBondContact O-N 2.92Å; Y758-L761 PolarHBondContact O-N 3.3Å; Y758-L762 WeakPolarHBondContact O-CB 3.43Å; Y758-L762 VanDerWaalsContact O-CG 3.29Å; Y758-L762 WeakPolarHBondContact O-CG 3.23Å; Y758-L762 PolarHBondContact O-N 3.21Å |
| 759 | Q | 91.6 | Very high | 90 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 16% | 0.164 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.3 | -25.5 | 176.3 | 63.1 | 76.7 | 32 | 0 | 0 | 113.8 | T756 K757 K763 L782 M785 L786 L789 | T756-Q759 PolarHBondContact O-NE2 2.73Å; K757-Q759 VanDerWaalsContact C-N 3.34Å; K757-Q759 PolarHBondContact O-N 2.95Å; Q759-K763 WeakPolarHBondContact O-CB 3.18Å; Q759-K763 PolarHBondContact O-N 3.08Å; Q759-K763 VanDerWaalsContact O-N 3.14Å; Q759-L782 HydrophobicContact CB-CD1 3.82Å; Q759-L782 VanDerWaalsContact O-CD1 3.23Å; Q759-L782 WeakPolarHBondContact O-CD1 3.41Å; Q759-M785 HydrophobicContact CB-CB 4.35Å; Q759-L786 HydrophobicContact CB-CD2 3.93Å; Q759-L786 HydrophobicContact CB-CG 4.11Å; Q759-L786 HydrophobicContact CG-CD2 3.85Å; Q759-L789 HydrophobicContact CB-CD1 4.28Å; Q759-L789 HydrophobicContact CG-CD1 3.45Å; Q759-L789 VanDerWaalsContact CG-CD1 3.45Å |
| 760 | L | 90.8 | Very high | 88.8 | Confident | 79 Ų | 79 | 46.2 Ų | 46.2 | 41% | 0.414 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71 | -49.5 | 171.7 | -62.7 | -177.1 | 0 | 0 | 0 | 110.6 | K757 Y758 L762 K763 E764 | K757-L760 HydrophobicContact CD-CD1 4.31Å; K757-L760 WeakPolarHBondContact O-CA 3.12Å; K757-L760 WeakPolarHBondContact O-CB 3.36Å; K757-L760 PolarHBondContact O-N 2.85Å; Y758-L760 VanDerWaalsContact C-N 3.27Å; Y758-L760 PolarHBondContact O-N 2.92Å; L760-L762 PolarHBondContact O-N 2.66Å; L760-K763 PolarHBondContact O-N 3.41Å; L760-E764 WeakPolarHBondContact O-CB 3.24Å; L760-E764 PolarHBondContact O-N 3.05Å |
| 761 | L | 90.6 | Very high | 87.5 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -41.6 | -178.4 | -66.5 | 168.3 | 0 | 0 | 0 | 111.8 | V617 E620 L621 K757 Y758 E764 L765 | V617-L761 HydrophobicContact CG1-CD2 4.49Å; E620-L761 HydrophobicContact CG-CD2 4.27Å; L621-L761 HydrophobicContact CB-CD1 4.33Å; L621-L761 HydrophobicContact CD1-CB 4.46Å; L621-L761 HydrophobicContact CD1-CD1 3.66Å; K757-L761 PolarHBondContact O-N 3.36Å; Y758-L761 PolarHBondContact O-N 3.3Å; L761-E764 PolarHBondContact O-N 3.5Å; L761-L765 WeakPolarHBondContact O-CB 3.41Å; L761-L765 PolarHBondContact O-N 3.11Å |
| 762 | L | 90.1 | Very high | 86 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 174 | -70.6 | 167.7 | 0 | 0 | 0 | 112.2 | V692 F696 Y758 L760 L766 L778 A781 L782 M785 | V692-L762 HydrophobicContact CG1-CD2 4.28Å; F696-L762 HydrophobicContact CD1-CD1 4.09Å; F696-L762 HydrophobicContact CD2-CD1 4.26Å; F696-L762 HydrophobicContact CD2-CD2 3.75Å; F696-L762 HydrophobicContact CD2-CG 4.46Å; F696-L762 HydrophobicContact CE1-CD1 4.06Å; F696-L762 HydrophobicContact CE2-CD1 4.23Å; F696-L762 HydrophobicContact CE2-CD2 3.73Å; F696-L762 HydrophobicContact CE2-CG 4.19Å; F696-L762 HydrophobicContact CG-CD1 4.17Å; F696-L762 HydrophobicContact CG-CD2 4.38Å; F696-L762 HydrophobicContact CZ-CD1 4.1Å; F696-L762 HydrophobicContact CZ-CD2 4.35Å; F696-L762 HydrophobicContact CZ-CG 4.31Å; Y758-L762 WeakPolarHBondContact O-CB 3.43Å; Y758-L762 VanDerWaalsContact O-CG 3.29Å; Y758-L762 WeakPolarHBondContact O-CG 3.23Å; Y758-L762 PolarHBondContact O-N 3.21Å; L760-L762 PolarHBondContact O-N 2.66Å; L762-L766 VanDerWaalsContact O-CB 3.26Å; L762-L766 WeakPolarHBondContact O-CB 3.23Å; L762-L766 PolarHBondContact O-N 2.8Å; L762-L778 HydrophobicContact CB-CD1 4.49Å; L762-L778 HydrophobicContact CD2-CD1 3.57Å; L762-A781 HydrophobicContact CD1-CB 4.25Å; L762-A781 HydrophobicContact CD2-CB 4.29Å; L762-L782 HydrophobicContact CB-CB 4.32Å; L762-L782 HydrophobicContact CB-CD1 4.26Å; L762-M785 HydrophobicContact CD1-CB 4.33Å; L762-M785 HydrophobicContact CD1-CG 3.74Å |
| 763 | K | 89.1 | Confident | 84.7 | Confident | 128 Ų | 128 | 62 Ų | 62 | 56% | 0.557 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68.5 | -35.4 | 176.7 | -178.4 | 179 | 179.2 | -179.5 | 0 | 112.6 | Q759 L760 K767 L782 | Q759-K763 WeakPolarHBondContact O-CB 3.18Å; Q759-K763 PolarHBondContact O-N 3.08Å; Q759-K763 VanDerWaalsContact O-N 3.14Å; L760-K763 PolarHBondContact O-N 3.41Å; K763-K767 PolarHBondContact O-N 2.94Å; K763-L782 HydrophobicContact CB-CD1 4.01Å; K763-L782 HydrophobicContact CB-CD2 3.93Å; K763-L782 HydrophobicContact CG-CD2 4.29Å |
| 764 | E | 88.9 | Confident | 83.7 | Confident | 81 Ų | 81 | 58.4 Ų | 58.4 | 38% | 0.379 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -73.9 | -38.7 | 177 | -175.2 | 141.4 | -145.8 | 0 | 0 | 111.6 | V617 L760 L761 K767 Y768 | V617-E764 HydrophobicContact CG2-CG 3.86Å; L760-E764 WeakPolarHBondContact O-CB 3.24Å; L760-E764 PolarHBondContact O-N 3.05Å; L761-E764 PolarHBondContact O-N 3.5Å; E764-K767 WeakPolarHBondContact O-CB 3.12Å; E764-K767 PolarHBondContact O-N 3.44Å; E764-Y768 HydrophobicContact CG-CD2 4.35Å; E764-Y768 HydrophobicContact CG-CE2 3.61Å; E764-Y768 WeakPolarHBondContact O-CD2 3.37Å; E764-Y768 WeakPolarHBondContact O-CE2 3.15Å; E764-Y768 PolarHBondContact O-N 2.87Å; E764-Y768 PolarHBondContact OE1-OH 2.92Å |
| 765 | L | 86.8 | Confident | 83.1 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 169.7 | -172.2 | 61.5 | 0 | 0 | 0 | 111.2 | K614 V617 P689 V692 L761 K767 Y768 S769 L778 | K614-L765 HydrophobicContact CB-CD1 3.88Å; K614-L765 HydrophobicContact CG-CD1 4.03Å; V617-L765 HydrophobicContact CB-CD1 4.4Å; V617-L765 HydrophobicContact CG1-CB 3.98Å; P689-L765 HydrophobicContact CB-CD1 4.34Å; V692-L765 HydrophobicContact CG1-CD2 3.53Å; L761-L765 WeakPolarHBondContact O-CB 3.41Å; L761-L765 PolarHBondContact O-N 3.11Å; L765-K767 VanDerWaalsContact C-N 3.31Å; L765-K767 PolarHBondContact O-N 2.9Å; L765-Y768 PolarHBondContact O-N 2.91Å; L765-Y768 VanDerWaalsContact O-N 3.09Å; L765-S769 WeakPolarHBondContact O-CB 3.48Å; L765-S769 PolarHBondContact O-N 3.45Å; L765-S769 VanDerWaalsContact O-N 3.1Å; L765-S769 PolarHBondContact O-OG 3.04Å; L765-L778 HydrophobicContact CB-CD2 4.27Å; L765-L778 HydrophobicContact CD2-CD1 4.07Å; L765-L778 HydrophobicContact CD2-CD2 4.17Å; L765-L778 HydrophobicContact CG-CD2 3.94Å |
| 766 | L | 86.4 | Confident | 82.7 | Confident | 30 Ų | 30 | 63.8 Ų | 63.8 | 16% | 0.157 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.1 | -37 | 177.8 | -174.8 | 65.9 | 0 | 0 | 0 | 112.5 | L762 Y768 S769 T775 L778 Q779 L782 | L762-L766 VanDerWaalsContact O-CB 3.26Å; L762-L766 WeakPolarHBondContact O-CB 3.23Å; L762-L766 PolarHBondContact O-N 2.8Å; L766-Y768 PolarHBondContact O-N 2.78Å; L766-S769 CarbonylContact O-C 3.6Å; L766-S769 PolarHBondContact O-N 2.73Å; L766-S769 VanDerWaalsContact O-N 3.15Å; L766-T775 HydrophobicContact CD1-CG2 3.86Å; L766-L778 HydrophobicContact CB-CD2 3.96Å; L766-L778 HydrophobicContact CB-CG 4.19Å; L766-L778 HydrophobicContact CD1-CB 4.35Å; L766-L778 HydrophobicContact CD1-CD2 4.01Å; L766-L778 HydrophobicContact CD1-CG 4.12Å; L766-Q779 HydrophobicContact CD1-CB 4.49Å; L766-Q779 HydrophobicContact CD2-CB 4.36Å; L766-L782 HydrophobicContact CD2-CD2 3.87Å |
| 767 | K | 86.2 | Confident | 82.5 | Confident | 136 Ų | 136 | 65 Ų | 65 | 59% | 0.591 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -58.8 | -33.3 | 174.4 | 175.5 | -162.6 | 170.9 | -161.6 | 0 | 112.6 | K763 E764 L765 | K763-K767 PolarHBondContact O-N 2.94Å; E764-K767 WeakPolarHBondContact O-CB 3.12Å; E764-K767 PolarHBondContact O-N 3.44Å; L765-K767 VanDerWaalsContact C-N 3.31Å; L765-K767 PolarHBondContact O-N 2.9Å |
| 768 | Y | 82.6 | Confident | 82.4 | Confident | 41 Ų | 41 | 60 Ų | 60 | 16% | 0.161 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -96.5 | -1.8 | 178.5 | -53.2 | -56.1 | 0 | 0 | 0 | 113.6 | L613 K614 V617 E764 L765 L766 P770 | L613-Y768 HydrophobicContact CB-CD1 4.14Å; L613-Y768 HydrophobicContact CB-CD2 3.87Å; L613-Y768 HydrophobicContact CB-CE1 4.42Å; L613-Y768 HydrophobicContact CB-CE2 4.15Å; L613-Y768 HydrophobicContact CB-CG 3.88Å; L613-Y768 HydrophobicContact CD1-CD1 3.73Å; L613-Y768 HydrophobicContact CD1-CE1 3.58Å; L613-Y768 HydrophobicContact CD1-CG 4.35Å; K614-Y768 WeakPolarHBondContact CE-O 3.47Å; V617-Y768 HydrophobicContact CG2-CD2 4.15Å; V617-Y768 HydrophobicContact CG2-CE2 4.07Å; E764-Y768 HydrophobicContact CG-CD2 4.35Å; E764-Y768 HydrophobicContact CG-CE2 3.61Å; E764-Y768 WeakPolarHBondContact O-CD2 3.37Å; E764-Y768 WeakPolarHBondContact O-CE2 3.15Å; E764-Y768 PolarHBondContact O-N 2.87Å; E764-Y768 PolarHBondContact OE1-OH 2.92Å; L765-Y768 PolarHBondContact O-N 2.91Å; L765-Y768 VanDerWaalsContact O-N 3.09Å; L766-Y768 PolarHBondContact O-N 2.78Å; Y768-P770 WeakPolarHBondContact O-CD 3.22Å |
| 769 | S | 78.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -118.5 | 54.1 | 178.5 | -66.8 | 0 | 0 | 0 | 0 | 114 | K614 L765 L766 T775 | K614-S769 WeakPolarHBondContact CD-OG 3.43Å; K614-S769 VanDerWaalsContact CE-OG 3.22Å; K614-S769 WeakPolarHBondContact CE-OG 3.36Å; L765-S769 WeakPolarHBondContact O-CB 3.48Å; L765-S769 PolarHBondContact O-N 3.45Å; L765-S769 VanDerWaalsContact O-N 3.1Å; L765-S769 PolarHBondContact O-OG 3.04Å; L766-S769 CarbonylContact O-C 3.6Å; L766-S769 PolarHBondContact O-N 2.73Å; L766-S769 VanDerWaalsContact O-N 3.15Å; S769-T775 PolarHBondContact O-OG1 2.93Å | ||
| 770 | P | 67.4 | Low | 82 | Confident | 90 Ų | 90 | 63.8 Ų | 63.8 | 58% | 0.584 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 141.2 | 165 | 31.8 | -33.4 | 0 | 0 | 0 | 110.3 | Y768 C772 | Y768-P770 WeakPolarHBondContact O-CD 3.22Å; P770-C772 PolarHBondContact O-N 3.45Å |
| 771 | D | 64 | Low | 82.1 | Confident | 168 Ų | 168 | 60 Ų | 60 | 90% | 0.898 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 35 | 167.8 | -52.1 | -35.9 | 0 | 0 | 0 | 116.9 | ||
| 772 | C | 64.3 | Low | 82.1 | Confident | 41 Ų | 41 | 60 Ų | 60 | 28% | 0.277 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -108.2 | 162.4 | 170.6 | 70.9 | 0 | 0 | 0 | 0 | 113.1 | P770 T775 | P770-C772 PolarHBondContact O-N 3.45Å; C772-T775 PolarHBondContact N-OG1 2.92Å; C772-T775 WeakPolarHBondContact O-CB 3.39Å; C772-T775 PolarHBondContact O-N 3.06Å; C772-T775 PolarHBondContact O-OG1 3.43Å; C772-T775 PolarHBondContact SG-OG1 2.93Å |
| 773 | E | 64.3 | Low | 82.1 | Confident | 184 Ų | 184 | 62.9 Ų | 62.9 | 86% | 0.86 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 140.2 | 162.2 | -62.4 | -172.6 | 152.4 | 0 | 0 | 108.6 | E690 | E690-E773 WeakPolarHBondContact CB-O 3.44Š|
| 774 | G | 70.6 | Confident | 82.2 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 14% | 0.144 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -13.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | S776 E777 L778 | G774-S776 PolarHBondContact O-N 3.27Å; G774-E777 VanDerWaalsContact CA-OE2 3.23Å; G774-E777 WeakPolarHBondContact CA-OE2 3.34Å; G774-E777 PolarHBondContact O-N 2.8Å; G774-L778 VanDerWaalsContact O-CB 3.3Å; G774-L778 WeakPolarHBondContact O-CB 3.22Å; G774-L778 PolarHBondContact O-N 3.06Å |
| 775 | T | 82.5 | Confident | 82.4 | Confident | 34 Ų | 34 | 54 Ų | 54 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.1 | -33 | 178.3 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | L766 S769 C772 Q779 | L766-T775 HydrophobicContact CD1-CG2 3.86Å; S769-T775 PolarHBondContact O-OG1 2.93Å; C772-T775 PolarHBondContact N-OG1 2.92Å; C772-T775 WeakPolarHBondContact O-CB 3.39Å; C772-T775 PolarHBondContact O-N 3.06Å; C772-T775 PolarHBondContact O-OG1 3.43Å; C772-T775 PolarHBondContact SG-OG1 2.93Å; T775-Q779 WeakPolarHBondContact O-CB 3.24Å; T775-Q779 PolarHBondContact O-N 2.78Å |
| 776 | S | 84.5 | Confident | 82.5 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 68% | 0.678 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -70 | -46.4 | 178.1 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | G774 Q779 G780 | G774-S776 PolarHBondContact O-N 3.27Å; S776-Q779 PolarHBondContact O-N 2.69Å; S776-G780 PolarHBondContact O-N 3.26Å |
| 777 | E | 88.1 | Confident | 82.4 | Confident | 85 Ų | 85 | 60.6 Ų | 60.6 | 40% | 0.397 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 176.3 | -67.3 | 82 | 169.3 | 0 | 0 | 111.1 | L697 G774 G780 A781 | L697-E777 HydrophobicContact CD1-CB 4.25Å; L697-E777 WeakPolarHBondContact CD1-O 3.42Å; G774-E777 VanDerWaalsContact CA-OE2 3.23Å; G774-E777 WeakPolarHBondContact CA-OE2 3.34Å; G774-E777 PolarHBondContact O-N 2.8Å; E777-G780 PolarHBondContact O-N 2.95Å; E777-A781 WeakPolarHBondContact O-CB 3.32Å; E777-A781 PolarHBondContact O-N 2.99Å |
| 778 | L | 88.8 | Confident | 82.5 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 177.7 | -174.9 | 60.1 | 0 | 0 | 0 | 112.1 | V692 L762 L765 L766 G774 G780 A781 L782 | V692-L778 HydrophobicContact CG1-CD1 4.05Å; L762-L778 HydrophobicContact CB-CD1 4.49Å; L762-L778 HydrophobicContact CD2-CD1 3.57Å; L765-L778 HydrophobicContact CB-CD2 4.27Å; L765-L778 HydrophobicContact CD2-CD1 4.07Å; L765-L778 HydrophobicContact CD2-CD2 4.17Å; L765-L778 HydrophobicContact CG-CD2 3.94Å; L766-L778 HydrophobicContact CB-CD2 3.96Å; L766-L778 HydrophobicContact CB-CG 4.19Å; L766-L778 HydrophobicContact CD1-CB 4.35Å; L766-L778 HydrophobicContact CD1-CD2 4.01Å; L766-L778 HydrophobicContact CD1-CG 4.12Å; G774-L778 VanDerWaalsContact O-CB 3.3Å; G774-L778 WeakPolarHBondContact O-CB 3.22Å; G774-L778 PolarHBondContact O-N 3.06Å; L778-G780 VanDerWaalsContact C-N 3.34Å; L778-A781 PolarHBondContact O-N 2.89Å; L778-L782 WeakPolarHBondContact O-CB 3.47Å; L778-L782 PolarHBondContact O-N 3.5Å |
| 779 | Q | 88.9 | Confident | 82.8 | Confident | 88 Ų | 88 | 54.5 Ų | 54.5 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 171.1 | 178.1 | 58.5 | 89 | 0 | 0 | 111.7 | L766 T775 S776 L782 T783 | L766-Q779 HydrophobicContact CD1-CB 4.49Å; L766-Q779 HydrophobicContact CD2-CB 4.36Å; T775-Q779 WeakPolarHBondContact O-CB 3.24Å; T775-Q779 PolarHBondContact O-N 2.78Å; S776-Q779 PolarHBondContact O-N 2.69Å; Q779-L782 PolarHBondContact O-N 3Å; Q779-T783 PolarHBondContact NE2-OG1 2.94Å; Q779-T783 PolarHBondContact O-N 3.4Å; Q779-T783 PolarHBondContact O-OG1 2.86Å; Q779-T783 VanDerWaalsContact O-OG1 3.06Å |
| 780 | G | 89.4 | Confident | 83.1 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 27% | 0.268 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S776 E777 L778 T783 A784 | S776-G780 PolarHBondContact O-N 3.26Å; E777-G780 PolarHBondContact O-N 2.95Å; L778-G780 VanDerWaalsContact C-N 3.34Å; G780-T783 PolarHBondContact O-N 2.88Å; G780-A784 WeakPolarHBondContact O-CB 3.48Å; G780-A784 PolarHBondContact O-N 3.04Å |
| 781 | A | 91.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F696 L697 L762 E777 L778 T783 A784 M785 | F696-A781 HydrophobicContact CB-CB 3.6Å; F696-A781 HydrophobicContact CG-CB 4.39Å; L697-A781 HydrophobicContact CG-CB 4.35Å; L762-A781 HydrophobicContact CD1-CB 4.25Å; L762-A781 HydrophobicContact CD2-CB 4.29Å; E777-A781 WeakPolarHBondContact O-CB 3.32Å; E777-A781 PolarHBondContact O-N 2.99Å; L778-A781 PolarHBondContact O-N 2.89Å; A781-T783 VanDerWaalsContact C-N 3.35Å; A781-T783 PolarHBondContact O-N 3.49Å; A781-A784 PolarHBondContact O-N 3.17Å; A781-M785 WeakPolarHBondContact O-CG 3.31Å; A781-M785 PolarHBondContact O-N 2.91Å |
| 782 | L | 91.6 | Very high | 84.9 | Confident | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 175.1 | 176.1 | 57.8 | 0 | 0 | 0 | 111.3 | Q759 L762 K763 L766 L778 Q779 M785 L786 | Q759-L782 HydrophobicContact CB-CD1 3.82Å; Q759-L782 VanDerWaalsContact O-CD1 3.23Å; Q759-L782 WeakPolarHBondContact O-CD1 3.41Å; L762-L782 HydrophobicContact CB-CB 4.32Å; L762-L782 HydrophobicContact CB-CD1 4.26Å; K763-L782 HydrophobicContact CB-CD1 4.01Å; K763-L782 HydrophobicContact CB-CD2 3.93Å; K763-L782 HydrophobicContact CG-CD2 4.29Å; L766-L782 HydrophobicContact CD2-CD2 3.87Å; L778-L782 WeakPolarHBondContact O-CB 3.47Å; L778-L782 PolarHBondContact O-N 3.5Å; Q779-L782 PolarHBondContact O-N 3Å; L782-M785 PolarHBondContact O-N 3.35Å; L782-L786 HydrophobicContact CD1-CD1 3.99Å; L782-L786 HydrophobicContact CD1-CG 4.3Å; L782-L786 HydrophobicContact CG-CD1 4.05Å; L782-L786 VanDerWaalsContact O-CG 3.29Å; L782-L786 WeakPolarHBondContact O-CG 3.3Å; L782-L786 PolarHBondContact O-N 3.35Å |
| 783 | T | 90.5 | Very high | 86 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 175.2 | -59 | 0 | 0 | 0 | 0 | 111.3 | Q779 G780 A781 M785 L786 D787 | Q779-T783 PolarHBondContact NE2-OG1 2.94Å; Q779-T783 PolarHBondContact O-N 3.4Å; Q779-T783 PolarHBondContact O-OG1 2.86Å; Q779-T783 VanDerWaalsContact O-OG1 3.06Å; G780-T783 PolarHBondContact O-N 2.88Å; A781-T783 VanDerWaalsContact C-N 3.35Å; A781-T783 PolarHBondContact O-N 3.49Å; T783-M785 VanDerWaalsContact C-N 3.33Å; T783-M785 PolarHBondContact O-N 3.06Å; T783-L786 PolarHBondContact O-N 3.3Å; T783-L786 VanDerWaalsContact O-N 3.13Å; T783-D787 WeakPolarHBondContact O-CB 3.4Å; T783-D787 PolarHBondContact O-N 3.48Å |
| 784 | A | 90.7 | Very high | 86.8 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -37.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L697 G780 A781 L788 | L697-A784 HydrophobicContact CD2-CB 4.36Å; G780-A784 WeakPolarHBondContact O-CB 3.48Å; G780-A784 PolarHBondContact O-N 3.04Å; A781-A784 PolarHBondContact O-N 3.17Å; A784-L788 WeakPolarHBondContact O-CB 3.49Å; A784-L788 PolarHBondContact O-N 3.23Å |
| 785 | M | 92 | Very high | 87.3 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.5 | -33.4 | 175.2 | -70.2 | -63.2 | 103.2 | 0 | 0 | 112.8 | F696 F703 Q759 L762 A781 L782 T783 L788 L789 | F696-M785 HydrophobicContact CD1-CE 4.18Å; F696-M785 HydrophobicContact CD1-CG 3.86Å; F696-M785 HydrophobicContact CD1-SD 3.82Å; F696-M785 HydrophobicContact CE1-CG 4.08Å; F696-M785 HydrophobicContact CE1-SD 3.94Å; F703-M785 HydrophobicContact CB-CE 4.43Å; F703-M785 HydrophobicContact CD2-CE 3.87Å; F703-M785 HydrophobicContact CE2-CE 4.28Å; F703-M785 HydrophobicContact CG-CE 4.14Å; Q759-M785 HydrophobicContact CB-CB 4.35Å; L762-M785 HydrophobicContact CD1-CB 4.33Å; L762-M785 HydrophobicContact CD1-CG 3.74Å; A781-M785 WeakPolarHBondContact O-CG 3.31Å; A781-M785 PolarHBondContact O-N 2.91Å; L782-M785 PolarHBondContact O-N 3.35Å; T783-M785 VanDerWaalsContact C-N 3.33Å; T783-M785 PolarHBondContact O-N 3.06Å; M785-L788 HydrophobicContact CE-CD2 4.16Å; M785-L789 WeakPolarHBondContact O-CB 3.41Å; M785-L789 WeakPolarHBondContact O-CD1 3.32Å; M785-L789 WeakPolarHBondContact O-CG 3.38Å; M785-L789 PolarHBondContact O-N 3.18Å |
| 786 | L | 88.6 | Confident | 87.3 | Confident | 78 Ų | 78 | 41.6 Ų | 41.6 | 41% | 0.408 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70 | -41.5 | 173 | -71.7 | 167.7 | 0 | 0 | 0 | 111.9 | Q759 L782 T783 L789 K790 | Q759-L786 HydrophobicContact CB-CD2 3.93Å; Q759-L786 HydrophobicContact CB-CG 4.11Å; Q759-L786 HydrophobicContact CG-CD2 3.85Å; L782-L786 HydrophobicContact CD1-CD1 3.99Å; L782-L786 HydrophobicContact CD1-CG 4.3Å; L782-L786 HydrophobicContact CG-CD1 4.05Å; L782-L786 VanDerWaalsContact O-CG 3.29Å; L782-L786 WeakPolarHBondContact O-CG 3.3Å; L782-L786 PolarHBondContact O-N 3.35Å; T783-L786 PolarHBondContact O-N 3.3Å; T783-L786 VanDerWaalsContact O-N 3.13Å; L786-L789 PolarHBondContact O-N 3.02Å; L786-K790 WeakPolarHBondContact O-CB 3.31Å; L786-K790 PolarHBondContact O-N 2.9Å |
| 787 | D | 85.6 | Confident | 87 | Confident | 94 Ų | 94 | 39.1 Ų | 39.1 | 50% | 0.503 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.1 | -39.8 | 174.8 | -75.1 | -23.7 | 0 | 0 | 0 | 111.5 | T783 K790 S791 | T783-D787 WeakPolarHBondContact O-CB 3.4Å; T783-D787 PolarHBondContact O-N 3.48Å; D787-K790 WeakPolarHBondContact O-CB 3.45Å; D787-K790 PolarHBondContact O-N 3.32Å; D787-S791 PolarHBondContact O-N 2.98Å |
| 788 | L | 88.8 | Confident | 86.6 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.6 | -47 | 172.9 | 177 | 61.9 | 0 | 0 | 0 | 111.8 | F703 L755 A784 M785 K790 S791 V792 | F703-L788 HydrophobicContact CB-CD2 3.39Å; F703-L788 HydrophobicContact CG-CD2 4.37Å; L755-L788 HydrophobicContact CD1-CD2 3.76Å; L755-L788 HydrophobicContact CD1-CG 4.35Å; A784-L788 WeakPolarHBondContact O-CB 3.49Å; A784-L788 PolarHBondContact O-N 3.23Å; M785-L788 HydrophobicContact CE-CD2 4.16Å; L788-K790 PolarHBondContact O-N 3.31Å; L788-S791 PolarHBondContact O-N 2.89Å; L788-S791 VanDerWaalsContact O-N 3.14Å; L788-V792 HydrophobicContact CD1-CG2 3.94Å; L788-V792 HydrophobicContact CG-CG2 4.31Å; L788-V792 WeakPolarHBondContact O-CB 3.4Å; L788-V792 VanDerWaalsContact O-CG2 3.27Å; L788-V792 WeakPolarHBondContact O-CG2 3.45Å; L788-V792 PolarHBondContact O-N 3.36Å |
| 789 | L | 88.2 | Confident | 86.2 | Confident | 33 Ų | 33 | 39.9 Ų | 39.9 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.9 | -38.3 | 175.5 | -82.9 | 164.3 | 0 | 0 | 0 | 112.2 | L755 T756 Q759 M785 L786 N793 | L755-L789 HydrophobicContact CB-CD2 4.34Å; L755-L789 HydrophobicContact CD2-CD2 3.67Å; L755-L789 HydrophobicContact CD2-CG 4.34Å; L755-L789 HydrophobicContact CG-CD2 3.68Å; L755-L789 HydrophobicContact CG-CG 4.12Å; T756-L789 HydrophobicContact CG2-CD2 3.55Å; Q759-L789 HydrophobicContact CB-CD1 4.28Å; Q759-L789 HydrophobicContact CG-CD1 3.45Å; Q759-L789 VanDerWaalsContact CG-CD1 3.45Å; M785-L789 WeakPolarHBondContact O-CB 3.41Å; M785-L789 WeakPolarHBondContact O-CD1 3.32Å; M785-L789 WeakPolarHBondContact O-CG 3.38Å; M785-L789 PolarHBondContact O-N 3.18Å; L786-L789 PolarHBondContact O-N 3.02Å; L789-N793 VanDerWaalsContact O-CB 3.31Å; L789-N793 WeakPolarHBondContact O-CB 3.13Å; L789-N793 PolarHBondContact O-N 3.46Å |
| 790 | K | 84.9 | Confident | 85.9 | Confident | 84 Ų | 84 | 36.9 Ų | 36.9 | 37% | 0.365 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.4 | -48.1 | 172.5 | 170.8 | 174.4 | 158.7 | 51.1 | 0 | 112.1 | L786 D787 L788 V792 N793 D794 L815 | L786-K790 WeakPolarHBondContact O-CB 3.31Å; L786-K790 PolarHBondContact O-N 2.9Å; D787-K790 WeakPolarHBondContact O-CB 3.45Å; D787-K790 PolarHBondContact O-N 3.32Å; L788-K790 PolarHBondContact O-N 3.31Å; K790-V792 PolarHBondContact O-N 2.69Å; K790-N793 PolarHBondContact O-N 3.07Å; K790-D794 IonicContact NZ-OD2 3.9Å; K790-D794 PolarHBondContact NZ-OD2 3.26Å; K790-D794 WeakPolarHBondContact O-CB 3.45Å; K790-D794 VanDerWaalsContact O-CG 3.3Å; K790-D794 PolarHBondContact O-N 2.65Å; K790-L815 WeakPolarHBondContact CE-O 3.46Å; K790-L815 PolarHBondContact NZ-O 3.44Å |
| 791 | S | 83.8 | Confident | 85.7 | Confident | 30 Ų | 30 | 36.5 Ų | 36.5 | 21% | 0.21 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.1 | -49.2 | 176.8 | -168.9 | 0 | 0 | 0 | 0 | 111 | E707 D787 L788 N793 D794 S795 | E707-S791 PolarHBondContact OE2-OG 3.03Å; D787-S791 PolarHBondContact O-N 2.98Å; L788-S791 PolarHBondContact O-N 2.89Å; L788-S791 VanDerWaalsContact O-N 3.14Å; S791-N793 PolarHBondContact O-N 3.35Å; S791-D794 PolarHBondContact O-N 3.34Å; S791-S795 WeakPolarHBondContact O-CB 3.35Å; S791-S795 PolarHBondContact O-N 2.98Å |
| 792 | V | 85.9 | Confident | 85.4 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.5 | -49.6 | 177.4 | 173 | 0 | 0 | 0 | 0 | 110.7 | E707 C710 L755 L788 K790 S795 M796 | E707-V792 HydrophobicContact CB-CG2 4.03Å; E707-V792 HydrophobicContact CG-CG2 4.32Å; C710-V792 HydrophobicContact CB-CG1 3.59Å; C710-V792 VanDerWaalsContact SG-CG1 3.58Å; L755-V792 HydrophobicContact CD2-CG1 4.46Å; L755-V792 HydrophobicContact CD2-CG2 4.2Å; L788-V792 HydrophobicContact CD1-CG2 3.94Å; L788-V792 HydrophobicContact CG-CG2 4.31Å; L788-V792 WeakPolarHBondContact O-CB 3.4Å; L788-V792 VanDerWaalsContact O-CG2 3.27Å; L788-V792 WeakPolarHBondContact O-CG2 3.45Å; L788-V792 PolarHBondContact O-N 3.36Å; K790-V792 PolarHBondContact O-N 2.69Å; V792-S795 PolarHBondContact O-N 2.92Å; V792-S795 PolarHBondContact O-OG 2.95Å; V792-M796 WeakPolarHBondContact O-CG 3.29Å; V792-M796 PolarHBondContact O-N 2.92Å; V792-M796 VanDerWaalsContact O-N 3.11Å |
| 793 | N | 85.6 | Confident | 84.9 | Confident | 77 Ų | 77 | 42.6 Ų | 42.6 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.7 | -47.9 | 176.1 | 179.1 | 89.9 | 0 | 0 | 0 | 112.5 | L789 K790 S791 S795 M796 H797 | L789-N793 VanDerWaalsContact O-CB 3.31Å; L789-N793 WeakPolarHBondContact O-CB 3.13Å; L789-N793 PolarHBondContact O-N 3.46Å; K790-N793 PolarHBondContact O-N 3.07Å; S791-N793 PolarHBondContact O-N 3.35Å; N793-S795 VanDerWaalsContact C-N 3.27Å; N793-S795 PolarHBondContact O-N 2.89Å; N793-M796 VanDerWaalsContact O-CB 3.28Å; N793-M796 WeakPolarHBondContact O-CB 3.44Å; N793-M796 PolarHBondContact O-N 3.24Å; N793-H797 PolarHBondContact O-CD2 2.89Å; N793-H797 VanDerWaalsContact O-CD2 3.24Å; N793-H797 PolarHBondContact O-N 3.2Å |
| 794 | D | 82.3 | Confident | 84.6 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.2 | -29.7 | -176.2 | -67.7 | -9 | 0 | 0 | 0 | 111.1 | K790 S791 H797 Q798 V814 Q817 | K790-D794 IonicContact NZ-OD2 3.9Å; K790-D794 PolarHBondContact NZ-OD2 3.26Å; K790-D794 WeakPolarHBondContact O-CB 3.45Å; K790-D794 VanDerWaalsContact O-CG 3.3Å; K790-D794 PolarHBondContact O-N 2.65Å; S791-D794 PolarHBondContact O-N 3.34Å; D794-H797 PolarHBondContact O-N 3.28Å; D794-Q798 PolarHBondContact O-N 3.37Å; D794-V814 HydrophobicContact CB-CB 4.36Å; D794-V814 HydrophobicContact CB-CG1 3.81Å; D794-Q817 HydrophobicContact CB-CG 4.06Å; D794-Q817 WeakPolarHBondContact OD1-CG 3.47Å; D794-Q817 PolarHBondContact OD1-NE2 2.92Å |
| 795 | S | 81.3 | Confident | 83.9 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.9 | -29 | 169 | 90.4 | 0 | 0 | 0 | 0 | 113.7 | E707 Q711 S791 V792 N793 H797 Q798 I799 | E707-S795 VanDerWaalsContact CG-OG 3.23Å; E707-S795 WeakPolarHBondContact CG-OG 3.24Å; E707-S795 WeakPolarHBondContact OE1-CB 3.46Å; Q711-S795 VanDerWaalsContact NE2-CB 3.29Å; Q711-S795 PolarHBondContact NE2-OG 2.8Å; Q711-S795 VanDerWaalsContact NE2-OG 3.09Å; S791-S795 WeakPolarHBondContact O-CB 3.35Å; S791-S795 PolarHBondContact O-N 2.98Å; V792-S795 PolarHBondContact O-N 2.92Å; V792-S795 PolarHBondContact O-OG 2.95Å; N793-S795 VanDerWaalsContact C-N 3.27Å; N793-S795 PolarHBondContact O-N 2.89Å; S795-H797 PolarHBondContact O-N 3.44Å; S795-Q798 WeakPolarHBondContact O-CB 3.16Å; S795-Q798 PolarHBondContact O-N 3.41Å; S795-Q798 VanDerWaalsContact O-N 3.11Å; S795-I799 PolarHBondContact O-N 2.73Å; S795-I799 VanDerWaalsContact O-N 3.14Å |
| 796 | M | 81.4 | Confident | 83.3 | Confident | 54 Ų | 54 | 52.7 Ų | 52.7 | 27% | 0.266 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.6 | -30.6 | 172.7 | -66.3 | -60.3 | -64.6 | 0 | 0 | 111.9 | C710 Q711 P714 V792 N793 I799 | C710-M796 HydrophobicContact CB-CG 4.49Å; C710-M796 HydrophobicContact CB-SD 3.7Å; C710-M796 WeakPolarHBondContact O-CE 3.4Å; Q711-M796 HydrophobicContact CG-SD 4.41Å; P714-M796 HydrophobicContact CG-CE 3.62Å; V792-M796 WeakPolarHBondContact O-CG 3.29Å; V792-M796 PolarHBondContact O-N 2.92Å; V792-M796 VanDerWaalsContact O-N 3.11Å; N793-M796 VanDerWaalsContact O-CB 3.28Å; N793-M796 WeakPolarHBondContact O-CB 3.44Å; N793-M796 PolarHBondContact O-N 3.24Å; M796-I799 HydrophobicContact CE-CD1 4.27Å; M796-I799 VanDerWaalsContact O-CG1 3.24Å; M796-I799 WeakPolarHBondContact O-CG1 3.38Å; M796-I799 HydrophobicContact SD-CD1 4.43Å |
| 797 | H | 79.4 | Confident | 82.6 | Confident | 44 Ų | 44 | 55.2 Ų | 55.2 | 20% | 0.204 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -78 | -31.2 | 172.3 | -63.6 | -79.2 | 0 | 0 | 0 | 111.7 | N793 D794 S795 A800 Q817 F847 Y872 | N793-H797 PolarHBondContact O-CD2 2.89Å; N793-H797 VanDerWaalsContact O-CD2 3.24Å; N793-H797 PolarHBondContact O-N 3.2Å; D794-H797 PolarHBondContact O-N 3.28Å; S795-H797 PolarHBondContact O-N 3.44Å; H797-A800 PolarHBondContact O-N 3.25Å; H797-Q817 HydrophobicContact CB-CG 4.28Å; H797-F847 HydrophobicContact CB-CE1 3.58Å; H797-F847 HydrophobicContact CB-CZ 4.05Å; H797-F847 WeakPolarHBondContact O-CZ 3.42Å; H797-Y872 HydrophobicContact CB-CE2 4.1Å; H797-Y872 AromaticContact ND1-CE2 3.81Å; H797-Y872 AromaticContact ND1-CZ 3.76Å; H797-Y872 PolarHBondContact ND1-OH 2.66Å |
| 798 | Q | 80 | Confident | 82.4 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 175.2 | 175.5 | -179.8 | -30.7 | 0 | 0 | 112.6 | D794 S795 A800 I801 I808 V814 | D794-Q798 PolarHBondContact O-N 3.37Å; S795-Q798 WeakPolarHBondContact O-CB 3.16Å; S795-Q798 PolarHBondContact O-N 3.41Å; S795-Q798 VanDerWaalsContact O-N 3.11Å; Q798-A800 PolarHBondContact O-N 3.4Å; Q798-A800 VanDerWaalsContact O-N 3.11Å; Q798-I801 HydrophobicContact CG-CD1 4.45Å; Q798-I801 WeakPolarHBondContact O-CB 3.15Å; Q798-I801 WeakPolarHBondContact O-CG1 3.28Å; Q798-I801 PolarHBondContact O-N 2.81Å; Q798-I808 HydrophobicContact CG-CG2 3.91Å; Q798-V814 HydrophobicContact CB-CG2 4.41Å; Q798-V814 VanDerWaalsContact OE1-CG2 3.25Å |
| 799 | I | 78.9 | Confident | 81.6 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -11.1 | 179.1 | 61.1 | 162.5 | 0 | 0 | 0 | 114 | Q711 S795 M796 | Q711-I799 HydrophobicContact CB-CD1 4.24Å; Q711-I799 HydrophobicContact CB-CG2 4.13Å; Q711-I799 HydrophobicContact CG-CD1 4.45Å; Q711-I799 HydrophobicContact CG-CG2 3.79Å; Q711-I799 WeakPolarHBondContact O-CD1 3.25Å; S795-I799 PolarHBondContact O-N 2.73Å; S795-I799 VanDerWaalsContact O-N 3.14Å; M796-I799 HydrophobicContact CE-CD1 4.27Å; M796-I799 VanDerWaalsContact O-CG1 3.24Å; M796-I799 WeakPolarHBondContact O-CG1 3.38Å; M796-I799 HydrophobicContact SD-CD1 4.43Å |
| 800 | A | 82.9 | Confident | 81.1 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 21% | 0.207 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 2.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H797 Q798 Y872 | H797-A800 PolarHBondContact O-N 3.25Å; Q798-A800 PolarHBondContact O-N 3.4Å; Q798-A800 VanDerWaalsContact O-N 3.11Å; A800-Y872 HydrophobicContact CB-CD2 3.75Å; A800-Y872 HydrophobicContact CB-CE2 4.1Å; A800-Y872 PolarHBondContact O-N 3.1Å |
| 801 | I | 86 | Confident | 81 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 9% | 0.092 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 130.9 | 172.9 | -60.6 | 172.7 | 0 | 0 | 0 | 110 | Q798 I808 F847 Y849 L854 Y872 | Q798-I801 HydrophobicContact CG-CD1 4.45Å; Q798-I801 WeakPolarHBondContact O-CB 3.15Å; Q798-I801 WeakPolarHBondContact O-CG1 3.28Å; Q798-I801 PolarHBondContact O-N 2.81Å; I801-I808 HydrophobicContact CB-CD1 4.26Å; I801-I808 HydrophobicContact CG2-CD1 4.3Å; I801-F847 HydrophobicContact CD1-CD1 4.07Å; I801-F847 HydrophobicContact CD1-CD2 3.75Å; I801-F847 HydrophobicContact CD1-CE1 3.97Å; I801-F847 HydrophobicContact CD1-CE2 3.63Å; I801-F847 HydrophobicContact CD1-CG 3.96Å; I801-F847 HydrophobicContact CD1-CZ 3.75Å; I801-F847 HydrophobicContact CG1-CD2 4.26Å; I801-F847 HydrophobicContact CG1-CE1 4.26Å; I801-F847 HydrophobicContact CG1-CE2 3.64Å; I801-F847 HydrophobicContact CG1-CZ 3.64Å; I801-Y849 WeakPolarHBondContact CD1-OH 3.48Å; I801-L854 HydrophobicContact CD1-CD1 4.31Å; I801-Y872 WeakPolarHBondContact CA-O 3.22Å |
| 802 | T | 84 | Confident | 80.8 | Confident | 71 Ų | 71 | 57.2 Ų | 57.2 | 44% | 0.436 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 142.8 | -178.7 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | Y872 F874 | T802-Y872 PolarHBondContact N-O 2.82Å; T802-F874 WeakPolarHBondContact O-CB 3.35Å; T802-F874 PolarHBondContact O-N 3.42Å |
| 803 | G | 81.6 | Confident | 80.4 | Confident | 68 Ų | 68 | 63.7 Ų | 63.7 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 76.2 | 26 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F874 | G803-F874 VanDerWaalsContact O-CD1 3.3Å; G803-F874 WeakPolarHBondContact O-CD1 3.43Å |
| 804 | Y | 83.9 | Confident | 80.3 | Confident | 58 Ų | 58 | 60.6 Ų | 60.6 | 23% | 0.227 | 34% | 0.335 | C | S | . | . | trans | -87.6 | 130.5 | 166.9 | -179.1 | -108.8 | 0 | 0 | 0 | 109.9 | G806 I808 L854 F874 | Y804-G806 VanDerWaalsContact CD1-O 3.23Å; Y804-G806 WeakPolarHBondContact CD1-O 3.43Å; Y804-G806 WeakPolarHBondContact CE1-O 3.27Å; Y804-G806 PolarHBondContact O-N 2.93Å; Y804-I808 HydrophobicContact CD1-CD1 4.34Å; Y804-I808 HydrophobicContact CD1-CG1 3.48Å; Y804-I808 VanDerWaalsContact CD1-CG1 3.48Å; Y804-I808 HydrophobicContact CE1-CG1 3.96Å; Y804-I808 HydrophobicContact CG-CG1 4.27Å; Y804-L854 HydrophobicContact CD2-CD2 4.49Å; Y804-L854 HydrophobicContact CE2-CD2 4.03Å; Y804-F874 HydrophobicContact CD2-CD1 4.2Å; Y804-F874 AromaticContact CD2-CD2 3.77Å; Y804-F874 HydrophobicContact CD2-CD2 3.77Å; Y804-F874 HydrophobicContact CD2-CE1 4.06Å; Y804-F874 AromaticContact CD2-CE2 3.63Å; Y804-F874 HydrophobicContact CD2-CE2 3.63Å; Y804-F874 HydrophobicContact CD2-CG 4.06Å; Y804-F874 AromaticContact CD2-CZ 3.78Å; Y804-F874 HydrophobicContact CD2-CZ 3.78Å; Y804-F874 HydrophobicContact CE2-CE2 4.07Å; Y804-F874 HydrophobicContact CE2-CZ 4.11Å | ||
| 805 | E | 76.8 | Confident | 80.5 | Confident | 194 Ų | 194 | 61.5 Ų | 61.5 | 91% | 0.907 | 34% | 0.34 | S | S | * | . | trans | -96.8 | 77.3 | -179.1 | -67 | -179.4 | 174.7 | 0 | 0 | 110.3 | ||||
| 806 | G | 78.5 | Confident | 80.7 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 47% | 0.474 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 163.2 | 172.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y804 I808 | Y804-G806 VanDerWaalsContact CD1-O 3.23Å; Y804-G806 WeakPolarHBondContact CD1-O 3.43Å; Y804-G806 WeakPolarHBondContact CE1-O 3.27Å; Y804-G806 PolarHBondContact O-N 2.93Å; G806-I808 PolarHBondContact O-N 3.47Å |
| 807 | E | 75.6 | Confident | 81.1 | Confident | 130 Ų | 130 | 62.2 Ų | 62.2 | 61% | 0.607 | 34% | 0.343 | S | S | * | . | trans | -80.3 | 108.1 | 174.2 | -74.4 | -61.2 | 157.4 | 0 | 0 | 110.4 | C809 E810 | E807-C809 PolarHBondContact O-N 3.04Å; E807-C809 VanDerWaalsContact O-N 3.12Å; E807-E810 HydrophobicContact CB-CG 4.06Å; E807-E810 WeakPolarHBondContact O-CB 3.46Å; E807-E810 PolarHBondContact O-N 3.29Å | ||
| 808 | I | 80.5 | Confident | 81.6 | Confident | 29 Ų | 29 | 60.8 Ų | 60.8 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -57.7 | -30.7 | -178.7 | -58.4 | 176.5 | 0 | 0 | 0 | 111.2 | Q798 I801 Y804 G806 E810 L811 Y849 | Q798-I808 HydrophobicContact CG-CG2 3.91Å; I801-I808 HydrophobicContact CB-CD1 4.26Å; I801-I808 HydrophobicContact CG2-CD1 4.3Å; Y804-I808 HydrophobicContact CD1-CD1 4.34Å; Y804-I808 HydrophobicContact CD1-CG1 3.48Å; Y804-I808 VanDerWaalsContact CD1-CG1 3.48Å; Y804-I808 HydrophobicContact CE1-CG1 3.96Å; Y804-I808 HydrophobicContact CG-CG1 4.27Å; G806-I808 PolarHBondContact O-N 3.47Å; I808-E810 PolarHBondContact O-N 2.93Å; I808-L811 HydrophobicContact CG2-CD1 4.32Å; I808-L811 WeakPolarHBondContact O-CB 3.34Å; I808-L811 WeakPolarHBondContact O-CG 3.46Å; I808-L811 PolarHBondContact O-N 2.88Å; I808-Y849 HydrophobicContact CG2-CE1 3.65Å; I808-Y849 VanDerWaalsContact CG2-OH 3.28Å; I808-Y849 WeakPolarHBondContact CG2-OH 3.41Å |
| 809 | C | 71 | Confident | 82.1 | Confident | 96 Ų | 96 | 62 Ų | 62 | 65% | 0.649 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -56.7 | -28.3 | 176.5 | -52.9 | 0 | 0 | 0 | 0 | 113.5 | E807 L811 G812 | E807-C809 PolarHBondContact O-N 3.04Å; E807-C809 VanDerWaalsContact O-N 3.12Å; C809-L811 PolarHBondContact O-N 2.89Å; C809-G812 PolarHBondContact O-N 3.24Å |
| 810 | E | 79.7 | Confident | 82.7 | Confident | 133 Ų | 133 | 58.7 Ų | 58.7 | 62% | 0.621 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -69.4 | -16.5 | 177.9 | -66.3 | -170.9 | 179.2 | 0 | 0 | 113.2 | E807 I808 G812 R851 | E807-E810 HydrophobicContact CB-CG 4.06Å; E807-E810 WeakPolarHBondContact O-CB 3.46Å; E807-E810 PolarHBondContact O-N 3.29Å; I808-E810 PolarHBondContact O-N 2.93Å; E810-G812 PolarHBondContact O-N 2.94Å; E810-R851 WeakPolarHBondContact O-CD 3.36Å; E810-R851 PolarHBondContact O-NH1 3.17Å |
| 811 | L | 82.4 | Confident | 82.9 | Confident | 17 Ų | 17 | 58.6 Ų | 58.6 | 9% | 0.089 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -76.8 | -8.1 | -179.4 | -52.8 | -177.7 | 0 | 0 | 0 | 113.1 | I808 C809 Y849 R851 A852 L854 | I808-L811 HydrophobicContact CG2-CD1 4.32Å; I808-L811 WeakPolarHBondContact O-CB 3.34Å; I808-L811 WeakPolarHBondContact O-CG 3.46Å; I808-L811 PolarHBondContact O-N 2.88Å; C809-L811 PolarHBondContact O-N 2.89Å; L811-Y849 HydrophobicContact CB-CD1 3.78Å; L811-Y849 HydrophobicContact CB-CD2 4.38Å; L811-Y849 HydrophobicContact CB-CE1 4.39Å; L811-Y849 HydrophobicContact CB-CG 3.78Å; L811-Y849 HydrophobicContact CD1-CD2 4.15Å; L811-Y849 HydrophobicContact CD1-CE2 4.17Å; L811-Y849 HydrophobicContact CD1-CG 4.35Å; L811-Y849 WeakPolarHBondContact O-CB 3.48Å; L811-R851 VanDerWaalsContact O-CB 3.27Å; L811-R851 WeakPolarHBondContact O-CB 3.34Å; L811-R851 WeakPolarHBondContact O-CG 3.46Å; L811-R851 PolarHBondContact O-N 2.74Å; L811-A852 HydrophobicContact CD1-CB 4.42Å; L811-A852 HydrophobicContact CD2-CB 3.89Å; L811-L854 HydrophobicContact CD1-CD1 3.74Å; L811-L854 HydrophobicContact CD1-CD2 3.78Å; L811-L854 HydrophobicContact CD1-CG 3.88Å |
| 812 | G | 79.7 | Confident | 83 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 25% | 0.247 | 33% | 0.328 | C | S | . | . | trans | 87.5 | -163.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C809 E810 Y849 | C809-G812 PolarHBondContact O-N 3.24Å; E810-G812 PolarHBondContact O-N 2.94Å; G812-Y849 WeakPolarHBondContact O-CD1 3.38Å | ||
| 813 | R | 76.9 | Confident | 82.9 | Confident | 144 Ų | 144 | 57.6 Ų | 57.6 | 54% | 0.543 | 32% | 0.32 | S | S | . | . | trans | -79.9 | 152.2 | 177.8 | -64.1 | 172.6 | -65.8 | 178.5 | 2.6 | 111.7 | Y849 E850 | R813-Y849 VanDerWaalsContact O-CA 3.25Å; R813-Y849 WeakPolarHBondContact O-CA 3.32Å; R813-E850 IonicContact CZ-OE1 2.71Å; R813-E850 PolarHBondContact N-OE2 3.09Å; R813-E850 IonicContact NE-OE1 2.69Å; R813-E850 PolarHBondContact NE-OE1 2.94Å; R813-E850 VanDerWaalsContact NE-OE1 3.15Å; R813-E850 IonicContact NE-OE2 3.42Å; R813-E850 IonicContact NH2-OE1 2.71Å; R813-E850 PolarHBondContact NH2-OE1 2.72Å; R813-E850 PolarHBondContact O-N 3.3Å | ||
| 814 | V | 84.5 | Confident | 82.7 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 130 | 167.3 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | D794 Q798 Y849 | D794-V814 HydrophobicContact CB-CB 4.36Å; D794-V814 HydrophobicContact CB-CG1 3.81Å; Q798-V814 HydrophobicContact CB-CG2 4.41Å; Q798-V814 VanDerWaalsContact OE1-CG2 3.25Å; V814-Y849 HydrophobicContact CG2-CD1 3.75Å; V814-Y849 HydrophobicContact CG2-CE1 3.29Å; V814-Y849 HydrophobicContact CG2-CE2 4.35Å; V814-Y849 HydrophobicContact CG2-CG 4.45Å |
| 815 | L | 84.4 | Confident | 81.8 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 13% | 0.131 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -38.3 | 179.7 | -59.9 | 168 | 0 | 0 | 0 | 110.7 | K790 L848 E850 E923 I927 | K790-L815 WeakPolarHBondContact CE-O 3.46Å; K790-L815 PolarHBondContact NZ-O 3.44Å; L815-L848 PolarHBondContact N-O 3.1Å; L815-E850 HydrophobicContact CD1-CB 4.42Å; L815-E850 HydrophobicContact CD1-CG 3.77Å; L815-E850 HydrophobicContact CD2-CG 3.97Å; L815-E850 HydrophobicContact CG-CG 4.03Å; L815-E923 HydrophobicContact CB-CG 4.16Å; L815-E923 WeakPolarHBondContact CD1-OE1 3.26Å; L815-I927 HydrophobicContact CD1-CD1 3.56Å; L815-I927 HydrophobicContact CD1-CG1 3.83Å |
| 816 | M | 87.3 | Confident | 80.9 | Confident | 29 Ų | 29 | 51.7 Ų | 51.7 | 14% | 0.143 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 145.1 | 174.9 | -55.5 | -172 | 83.1 | 0 | 0 | 111.6 | L848 A919 W920 E923 | M816-L848 HydrophobicContact CB-CB 4.35Å; M816-L848 PolarHBondContact N-O 3.47Å; M816-L848 PolarHBondContact O-N 2.88Å; M816-A919 HydrophobicContact CE-CB 3.81Å; M816-W920 HydrophobicContact CB-CD2 4.44Å; M816-W920 HydrophobicContact CB-CH2 4.1Å; M816-W920 HydrophobicContact CB-CZ2 3.55Å; M816-W920 HydrophobicContact CE-CG 4.08Å; M816-W920 HydrophobicContact SD-CB 4.43Å; M816-W920 HydrophobicContact SD-CD2 4.07Å; M816-W920 HydrophobicContact SD-CG 3.89Å; M816-E923 HydrophobicContact CG-CB 4.42Å; M816-E923 HydrophobicContact CG-CG 4.13Å; M816-E923 HydrophobicContact SD-CB 3.71Å; M816-E923 HydrophobicContact SD-CG 4.08Å |
| 817 | Q | 89.4 | Confident | 79.5 | Confident | 42 Ų | 42 | 55.4 Ų | 55.4 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 162.5 | 159.1 | 55.2 | 65.5 | 30 | 0 | 0 | 111.8 | D794 H797 H845 F846 F847 | D794-Q817 HydrophobicContact CB-CG 4.06Å; D794-Q817 WeakPolarHBondContact OD1-CG 3.47Å; D794-Q817 PolarHBondContact OD1-NE2 2.92Å; H797-Q817 HydrophobicContact CB-CG 4.28Å; Q817-H845 PolarHBondContact OE1-CE1 3.28Å; Q817-H845 VanDerWaalsContact OE1-CE1 3.25Å; Q817-H845 PolarHBondContact OE1-NE2 2.83Å; Q817-F846 WeakPolarHBondContact CA-O 3.23Å; Q817-F846 WeakPolarHBondContact CB-O 3.38Å; Q817-F847 HydrophobicContact CB-CD1 3.82Å; Q817-F847 HydrophobicContact CB-CE1 4.11Å; Q817-F847 HydrophobicContact CB-CG 4.46Å |
| 818 | G | 89.4 | Confident | 78 | Confident | 13 Ų | 13 | 60 Ų | 60 | 13% | 0.134 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | 153.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F820 H845 F846 | G818-F820 VanDerWaalsContact O-CD2 3.32Å; G818-F820 WeakPolarHBondContact O-CD2 3.2Å; G818-F820 WeakPolarHBondContact O-CE2 3.31Å; G818-H845 VanDerWaalsContact C-ND1 3.29Å; G818-H845 CarbonylContact O-C 3.41Å; G818-H845 WeakPolarHBondContact O-CA 3.42Å; G818-H845 PolarHBondContact O-ND1 2.98Å; G818-F846 PolarHBondContact N-O 2.97Å; G818-F846 PolarHBondContact O-N 2.91Å |
| 819 | S | 89.9 | Confident | 75.9 | Confident | 56 Ų | 56 | 61.5 Ų | 61.5 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 134.5 | 174.9 | -63.4 | 0 | 0 | 0 | 0 | 111.5 | R844 H845 | S819-R844 WeakPolarHBondContact CA-O 3.33Å; S819-H845 PolarHBondContact N-ND1 3.4Å; S819-H845 PolarHBondContact OG-ND1 2.8Å |
| 820 | F | 92.2 | Very high | 74.5 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.009 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147 | -175.7 | -63.6 | -80.2 | 0 | 0 | 0 | 112.6 | G818 V822 R844 F846 V909 A911 V916 W920 | G818-F820 VanDerWaalsContact O-CD2 3.32Å; G818-F820 WeakPolarHBondContact O-CD2 3.2Å; G818-F820 WeakPolarHBondContact O-CE2 3.31Å; F820-V822 HydrophobicContact CB-CG2 3.85Å; F820-R844 PolarHBondContact N-O 3.41Å; F820-R844 PolarHBondContact O-N 3.12Å; F820-F846 HydrophobicContact CD2-CB 4Å; F820-F846 HydrophobicContact CD2-CD1 4.45Å; F820-F846 AromaticContact CD2-CD2 3.88Å; F820-F846 HydrophobicContact CD2-CD2 3.88Å; F820-F846 AromaticContact CD2-CG 3.86Å; F820-F846 HydrophobicContact CD2-CG 3.86Å; F820-F846 HydrophobicContact CE2-CB 4.07Å; F820-F846 HydrophobicContact CE2-CD2 4.2Å; F820-F846 HydrophobicContact CE2-CG 4.3Å; F820-V909 HydrophobicContact CB-CG1 3.76Å; F820-V909 HydrophobicContact CD1-CG1 3.49Å; F820-V909 VanDerWaalsContact CD1-CG1 3.49Å; F820-V909 HydrophobicContact CD2-CG1 4.44Å; F820-V909 HydrophobicContact CE1-CG1 4.21Å; F820-V909 HydrophobicContact CG-CG1 3.63Å; F820-A911 HydrophobicContact CD1-CB 4.42Å; F820-A911 HydrophobicContact CE1-CB 4.04Å; F820-V916 HydrophobicContact CE1-CG1 4.26Å; F820-V916 HydrophobicContact CZ-CG1 4.35Å; F820-W920 HydrophobicContact CE2-CD2 4.17Å; F820-W920 AromaticContact CE2-CE2 3.75Å; F820-W920 HydrophobicContact CE2-CH2 4.13Å; F820-W920 AromaticContact CE2-CZ2 3.74Å; F820-W920 HydrophobicContact CE2-CZ2 3.74Å; F820-W920 HydrophobicContact CE2-CZ3 4.48Å; F820-W920 AromaticContact CZ-CD1 3.88Å; F820-W920 AromaticContact CZ-CD2 3.8Å; F820-W920 HydrophobicContact CZ-CD2 3.8Å; F820-W920 AromaticContact CZ-CE2 3.56Å; F820-W920 HydrophobicContact CZ-CE3 4.46Å; F820-W920 HydrophobicContact CZ-CG 4.03Å; F820-W920 HydrophobicContact CZ-CZ2 4.05Å; F820-W920 AromaticContact CZ-NE1 3.58Å |
| 821 | S | 88.1 | Confident | 72.4 | Confident | 23 Ų | 23 | 60.6 Ų | 60.6 | 16% | 0.161 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 116.1 | 162.1 | -74.6 | 0 | 0 | 0 | 0 | 108.7 | Q843 Q910 | S821-Q843 PolarHBondContact OG-NE2 3.31Å; S821-Q910 PolarHBondContact N-O 3.33Å; S821-Q910 PolarHBondContact O-N 2.9Å |
| 822 | V | 87.2 | Confident | 70.5 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 131.7 | -172.3 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | F820 I824 P841 M842 R844 F846 Y907 V908 | F820-V822 HydrophobicContact CB-CG2 3.85Å; V822-I824 HydrophobicContact CG1-CG1 4.38Å; V822-P841 CarbonylContact O-C 3.02Å; V822-M842 PolarHBondContact N-O 3.14Å; V822-M842 WeakPolarHBondContact O-CB 3.21Å; V822-M842 PolarHBondContact O-N 3.17Å; V822-R844 HydrophobicContact CB-CG 4.41Å; V822-R844 HydrophobicContact CG2-CB 3.99Å; V822-R844 HydrophobicContact CG2-CG 4.31Å; V822-F846 HydrophobicContact CG1-CZ 4.35Å; V822-F846 HydrophobicContact CG2-CE1 3.78Å; V822-F846 HydrophobicContact CG2-CZ 3.65Å; V822-Y907 HydrophobicContact CG1-CD1 4.05Å; V822-V908 WeakPolarHBondContact CA-O 3.47Å |
| 823 | W | 82.9 | Confident | 68.7 | Low | 69 Ų | 69 | 70.7 Ų | 70.7 | 26% | 0.261 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 145.5 | 165.1 | -57.3 | -100.3 | 0 | 0 | 0 | 108.7 | P841 K895 Y907 V908 Q910 | W823-P841 HydrophobicContact CD2-CB 4.02Å; W823-P841 HydrophobicContact CE3-CB 4.35Å; W823-P841 HydrophobicContact CH2-CB 3.87Å; W823-P841 HydrophobicContact CH2-CG 4.11Å; W823-P841 HydrophobicContact CZ2-CB 3.54Å; W823-P841 HydrophobicContact CZ2-CG 3.6Å; W823-P841 HydrophobicContact CZ3-CB 4.27Å; W823-K895 HydrophobicContact CZ3-CD 4.25Å; W823-Y907 CarbonylContact O-C 3.54Å; W823-Y907 WeakPolarHBondContact O-CA 3.37Å; W823-V908 HydrophobicContact CB-CB 4.3Å; W823-V908 HydrophobicContact CE3-CB 4.28Å; W823-V908 HydrophobicContact CE3-CG1 4.14Å; W823-V908 PolarHBondContact N-O 3.21Å; W823-V908 PolarHBondContact O-N 3.11Å; W823-Q910 HydrophobicContact CH2-CB 4.16Å; W823-Q910 HydrophobicContact CZ3-CB 3.77Å |
| 824 | I | 77.2 | Confident | 67.1 | Low | 45 Ų | 45 | 68.6 Ų | 68.6 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.2 | -178 | -46.9 | 176 | 0 | 0 | 0 | 108.3 | V822 H826 M842 Y907 | V822-I824 HydrophobicContact CG1-CG1 4.38Å; I824-H826 WeakPolarHBondContact CG2-NE2 3.5Å; I824-M842 HydrophobicContact CD1-SD 3.84Å; I824-Y907 HydrophobicContact CB-CD1 4.47Å; I824-Y907 HydrophobicContact CB-CE1 4.37Å; I824-Y907 HydrophobicContact CD1-CD1 4.3Å; I824-Y907 HydrophobicContact CD1-CE1 3.85Å; I824-Y907 HydrophobicContact CG1-CD1 3.83Å; I824-Y907 HydrophobicContact CG1-CE1 3.81Å; I824-Y907 HydrophobicContact CG2-CD1 4.15Å; I824-Y907 HydrophobicContact CG2-CE1 3.72Å |
| 825 | S | 64.3 | Low | 65 | Low | 63 Ų | 63 | 70.3 Ų | 70.3 | 44% | 0.441 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 117 | 173 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | V906 | S825-V906 PolarHBondContact N-O 2.6Å; S825-V906 PolarHBondContact O-N 3.35Å |
| 826 | H | 56.9 | Low | 62.9 | Low | 87 Ų | 87 | 73.8 Ų | 73.8 | 40% | 0.403 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 133.9 | 176.6 | -69.3 | -81.5 | 0 | 0 | 0 | 109.8 | I824 E904 E905 | I824-H826 WeakPolarHBondContact CG2-NE2 3.5Å; H826-E904 CarbonylContact C-O 3.48Å; H826-E904 WeakPolarHBondContact CA-O 3.31Å; H826-E905 IonicContact CE1-OE1 3.11Å; H826-E905 PolarHBondContact CE1-OE1 2.96Å; H826-E905 VanDerWaalsContact CE1-OE1 3.26Å; H826-E905 IonicContact ND1-OE1 2.7Å |
| 827 | K | 50.8 | Low | 60.6 | Low | 124 Ų | 124 | 73.7 Ų | 73.7 | 54% | 0.539 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -97.1 | -2.6 | -175.7 | -109.9 | -167 | 174.9 | -149.9 | 0 | 116.4 | E8 E904 | E8-K827 WeakPolarHBondContact OE1-CE 3.41Å; E8-K827 IonicContact OE1-NZ 2.69Å; K827-E904 PolarHBondContact N-O 2.86Å |
| 828 | R | 43 | Very low | 58.6 | Low | 226 Ų | 226 | 76.8 Ų | 76.8 | 85% | 0.853 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -166.3 | 139 | 164.9 | -99.2 | 139.8 | -172.3 | -152.2 | 0.3 | 109.7 | ||
| 829 | G | 37.3 | Very low | 56.7 | Low | 62 Ų | 62 | 78.4 Ų | 78.4 | 64% | 0.639 | 39% | 0.393 | S | S | * | . | trans | 158.8 | 111.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T831 | G829-T831 PolarHBondContact O-N 2.79Š| ||
| 830 | P | 40 | Very low | 54.8 | Low | 84 Ų | 84 | 80 Ų | 80 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -66.4 | -22.4 | -179.3 | -22.7 | 34.5 | 0 | 0 | 0 | 114.3 | ||
| 831 | T | 36.8 | Very low | 53.5 | Low | 125 Ų | 125 | 81.3 Ų | 81.3 | 77% | 0.767 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -118.4 | 62.6 | -161.1 | 29.2 | 0 | 0 | 0 | 0 | 114.2 | G829 | G829-T831 PolarHBondContact O-N 2.79Š|
| 832 | R | 42.6 | Very low | 53 | Low | 200 Ų | 200 | 81.2 Ų | 81.2 | 76% | 0.755 | 40% | 0.399 | S | S | * | . | trans | -175.1 | 60.5 | 148.1 | -101.7 | 154.5 | -163.4 | -158.8 | 6 | 114 | K834 E835 | R832-K834 PolarHBondContact O-N 3.05Å; R832-E835 PolarHBondContact O-N 3.02Å | ||
| 833 | M | 40.8 | Very low | 52.9 | Low | 53 Ų | 53 | 86.2 Ų | 86.2 | 26% | 0.261 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -1.8 | 177.8 | -151.8 | 155 | 67.2 | 0 | 0 | 114.9 | L326 Y397 A398 L401 E835 | L326-M833 HydrophobicContact CD1-CE 4.35Å; L326-M833 HydrophobicContact CD2-CE 3.35Å; L326-M833 HydrophobicContact CG-CE 4.49Å; Y397-M833 HydrophobicContact CE2-CE 4.4Å; A398-M833 HydrophobicContact CB-CE 3.58Å; L401-M833 HydrophobicContact CB-CE 4.01Å; L401-M833 HydrophobicContact CB-SD 4.29Å; L401-M833 HydrophobicContact CD2-CE 3.48Å; L401-M833 VanDerWaalsContact CD2-CE 3.48Å; L401-M833 HydrophobicContact CD2-SD 4.32Å; L401-M833 HydrophobicContact CG-CE 4.4Å; M833-E835 PolarHBondContact O-N 3.48Å |
| 834 | K | 43.4 | Very low | 53.3 | Low | 100 Ų | 100 | 84.2 Ų | 84.2 | 44% | 0.435 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 4.2 | 171.5 | -55.2 | -172.6 | -172.3 | -175.7 | 0 | 114.6 | D238 R832 R838 | D238-K834 WeakPolarHBondContact OD1-CD 3.48Å; D238-K834 WeakPolarHBondContact OD1-CE 3.15Å; D238-K834 IonicContact OD1-NZ 2.9Å; D238-K834 PolarHBondContact OD1-NZ 3.01Å; D238-K834 IonicContact OD2-NZ 2.63Å; D238-K834 PolarHBondContact OD2-NZ 2.92Å; R832-K834 PolarHBondContact O-N 3.05Å; K834-R838 VanDerWaalsContact O-CZ 3.29Å; K834-R838 PolarHBondContact O-NE 3.15Å; K834-R838 PolarHBondContact O-NH2 2.81Å |
| 835 | E | 40.2 | Very low | 53.9 | Low | 49 Ų | 49 | 82.4 Ų | 82.4 | 23% | 0.229 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -113.2 | -26.9 | -178.2 | -72.4 | -176.6 | 179.9 | 0 | 0 | 114.6 | R832 M833 A837 R838 M842 | R832-E835 PolarHBondContact O-N 3.02Å; M833-E835 PolarHBondContact O-N 3.48Å; E835-A837 PolarHBondContact O-N 3.08Å; E835-R838 PolarHBondContact O-N 3.19Å; E835-R838 IonicContact OE1-CZ 2.63Å; E835-R838 IonicContact OE1-NH2 2.71Å; E835-R838 PolarHBondContact OE1-NH2 2.97Å; E835-M842 HydrophobicContact CG-CE 3.77Å; E835-M842 WeakPolarHBondContact OE1-CE 3.21Å |
| 836 | L | 41 | Very low | 55.3 | Low | 98 Ų | 98 | 79.4 Ų | 79.4 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -12 | 167.1 | -73.7 | 75.9 | 0 | 0 | 0 | 113 | K319 | K319-L836 PolarHBondContact NZ-O 2.81Å; K319-L836 VanDerWaalsContact NZ-O 3.12Å |
| 837 | A | 39.2 | Very low | 57 | Low | 26 Ų | 26 | 75.3 Ų | 75.3 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -16.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L236 E835 | L236-A837 HydrophobicContact CD1-CB 3.84Å; E835-A837 PolarHBondContact O-N 3.08Å |
| 838 | R | 47.5 | Very low | 59 | Low | 108 Ų | 108 | 69.4 Ų | 69.4 | 41% | 0.408 | 34% | 0.34 | S | S | . | . | trans | -108.7 | 85.4 | -166.5 | -75.6 | -176.4 | -84.7 | 175 | 3.2 | 112.9 | K834 E835 K840 M842 | K834-R838 VanDerWaalsContact O-CZ 3.29Å; K834-R838 PolarHBondContact O-NE 3.15Å; K834-R838 PolarHBondContact O-NH2 2.81Å; E835-R838 PolarHBondContact O-N 3.19Å; E835-R838 IonicContact OE1-CZ 2.63Å; E835-R838 IonicContact OE1-NH2 2.71Å; E835-R838 PolarHBondContact OE1-NH2 2.97Å; R838-K840 VanDerWaalsContact C-N 3.26Å; R838-K840 PolarHBondContact O-N 3.47Å; R838-M842 VanDerWaalsContact CZ-CE 3.41Å | ||
| 839 | F | 49.2 | Very low | 61.2 | Low | 46 Ų | 46 | 58.6 Ų | 58.6 | 20% | 0.202 | 30% | 0.299 | C | S | . | . | trans | -64.7 | -25.4 | 172.5 | -64.5 | -63.7 | 0 | 0 | 0 | 114.4 | E15 E18 M19 K319 | E15-F839 HydrophobicContact CB-CE1 3.81Å; E15-F839 HydrophobicContact CG-CE1 3.86Å; E15-F839 HydrophobicContact CG-CZ 4.4Å; E18-F839 HydrophobicContact CB-CE2 4.31Å; E18-F839 HydrophobicContact CB-CZ 4.05Å; E18-F839 HydrophobicContact CG-CE2 4.15Å; E18-F839 HydrophobicContact CG-CZ 4.36Å; E18-F839 WeakPolarHBondContact OE2-CE2 3.23Å; E18-F839 WeakPolarHBondContact OE2-CZ 3.24Å; M19-F839 HydrophobicContact CG-CB 4Å; M19-F839 HydrophobicContact CG-CD1 3.99Å; M19-F839 HydrophobicContact CG-CG 4.05Å; M19-F839 HydrophobicContact SD-CB 3.71Å; M19-F839 HydrophobicContact SD-CG 4.26Å; K319-F839 HydrophobicContact CD-CE2 4.18Å | ||
| 840 | K | 50.9 | Low | 63.5 | Low | 89 Ų | 89 | 58.4 Ų | 58.4 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -71.7 | 126.8 | 176.5 | 177.8 | 167.7 | 172.7 | 172.4 | 0 | 110.2 | E233 R838 M842 | E233-K840 HydrophobicContact CB-CD 4.37Å; E233-K840 HydrophobicContact CG-CD 4.02Å; E233-K840 WeakPolarHBondContact OE1-CE 3.22Å; E233-K840 IonicContact OE1-NZ 3.36Å; E233-K840 PolarHBondContact OE1-NZ 2.94Å; E233-K840 IonicContact OE2-NZ 2.86Å; E233-K840 PolarHBondContact OE2-NZ 2.87Å; R838-K840 VanDerWaalsContact C-N 3.26Å; R838-K840 PolarHBondContact O-N 3.47Å; K840-M842 PolarHBondContact O-N 3.07Å |
| 841 | P | 64.7 | Low | 65.8 | Low | 30 Ų | 30 | 62 Ų | 62 | 20% | 0.195 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 130 | 172.5 | 18.8 | -29.3 | 0 | 0 | 0 | 110.8 | V822 W823 Q843 | V822-P841 CarbonylContact O-C 3.02Å; W823-P841 HydrophobicContact CD2-CB 4.02Å; W823-P841 HydrophobicContact CE3-CB 4.35Å; W823-P841 HydrophobicContact CH2-CB 3.87Å; W823-P841 HydrophobicContact CH2-CG 4.11Å; W823-P841 HydrophobicContact CZ2-CB 3.54Å; W823-P841 HydrophobicContact CZ2-CG 3.6Å; W823-P841 HydrophobicContact CZ3-CB 4.27Å; P841-Q843 PolarHBondContact O-N 3.15Å |
| 842 | M | 77.7 | Confident | 68.4 | Low | 22 Ų | 22 | 56.1 Ų | 56.1 | 11% | 0.108 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 119.7 | 172.5 | -64.5 | -163.9 | 171.5 | 0 | 0 | 109.5 | V822 I824 E835 R838 K840 R844 | V822-M842 PolarHBondContact N-O 3.14Å; V822-M842 WeakPolarHBondContact O-CB 3.21Å; V822-M842 PolarHBondContact O-N 3.17Å; I824-M842 HydrophobicContact CD1-SD 3.84Å; E835-M842 HydrophobicContact CG-CE 3.77Å; E835-M842 WeakPolarHBondContact OE1-CE 3.21Å; R838-M842 VanDerWaalsContact CZ-CE 3.41Å; K840-M842 PolarHBondContact O-N 3.07Å; M842-R844 HydrophobicContact CB-CG 4.29Å; M842-R844 PolarHBondContact O-N 2.99Å; M842-R844 PolarHBondContact SD-NH2 2.78Å |
| 843 | Q | 85.4 | Confident | 70.9 | Confident | 104 Ų | 104 | 46.6 Ų | 46.6 | 49% | 0.486 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 121.5 | 162.2 | -65.8 | -53.1 | -54.4 | 0 | 0 | 108.5 | S821 P841 | S821-Q843 PolarHBondContact OG-NE2 3.31Å; P841-Q843 PolarHBondContact O-N 3.15Å |
| 844 | R | 90.1 | Very high | 73.3 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 11% | 0.106 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139 | 174.7 | -71.1 | -66.8 | -179.7 | -87.8 | 1 | 109.1 | S819 F820 V822 M842 F846 C856 | S819-R844 WeakPolarHBondContact CA-O 3.33Å; F820-R844 PolarHBondContact N-O 3.41Å; F820-R844 PolarHBondContact O-N 3.12Å; V822-R844 HydrophobicContact CB-CG 4.41Å; V822-R844 HydrophobicContact CG2-CB 3.99Å; V822-R844 HydrophobicContact CG2-CG 4.31Å; M842-R844 HydrophobicContact CB-CG 4.29Å; M842-R844 PolarHBondContact O-N 2.99Å; M842-R844 PolarHBondContact SD-NH2 2.78Å; R844-F846 HydrophobicContact CB-CD1 3.93Å; R844-F846 HydrophobicContact CB-CE1 3.65Å; R844-F846 HydrophobicContact CG-CE1 4.38Å; R844-C856 CarbonylContact C-O 3.27Å; R844-C856 VanDerWaalsContact CA-O 3.31Å; R844-C856 WeakPolarHBondContact CA-O 3.36Å; R844-C856 VanDerWaalsContact CD-O 3.29Å; R844-C856 WeakPolarHBondContact CD-O 3.28Å |
| 845 | H | 91 | Very high | 75.6 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.028 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 125.1 | 165.1 | -158 | 79.4 | 0 | 0 | 0 | 107.3 | Q817 G818 S819 F847 C856 Y872 | Q817-H845 PolarHBondContact OE1-CE1 3.28Å; Q817-H845 VanDerWaalsContact OE1-CE1 3.25Å; Q817-H845 PolarHBondContact OE1-NE2 2.83Å; G818-H845 VanDerWaalsContact C-ND1 3.29Å; G818-H845 CarbonylContact O-C 3.41Å; G818-H845 WeakPolarHBondContact O-CA 3.42Å; G818-H845 PolarHBondContact O-ND1 2.98Å; S819-H845 PolarHBondContact N-ND1 3.4Å; S819-H845 PolarHBondContact OG-ND1 2.8Å; H845-F847 AromaticContact CD2-CE2 3.65Å; H845-F847 AromaticContact CD2-CZ 3.66Å; H845-C856 PolarHBondContact N-O 3.23Å; H845-C856 PolarHBondContact O-N 2.99Å; H845-Y872 HydrophobicContact CB-CD1 3.7Å; H845-Y872 HydrophobicContact CB-CE1 3.68Å; H845-Y872 AromaticContact CD2-CD1 3.68Å; H845-Y872 AromaticContact CD2-CE1 3.2Å; H845-Y872 WeakPolarHBondContact CD2-CE1 3.49Å; H845-Y872 AromaticContact CD2-CZ 3.77Å; H845-Y872 AromaticContact CE1-CE1 3.96Å; H845-Y872 AromaticContact CG-CD1 3.78Å; H845-Y872 AromaticContact CG-CE1 3.29Å; H845-Y872 AromaticContact ND1-CE1 3.78Å; H845-Y872 AromaticContact NE2-CE1 3.62Å; H845-Y872 AromaticContact NE2-CZ 3.76Å |
| 846 | F | 93.6 | Very high | 78 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 142.3 | -179 | -77.2 | 10.3 | 0 | 0 | 0 | 109.3 | Q817 G818 F820 V822 R844 L853 L854 L855 I898 V909 W920 | Q817-F846 WeakPolarHBondContact CA-O 3.23Å; Q817-F846 WeakPolarHBondContact CB-O 3.38Å; G818-F846 PolarHBondContact N-O 2.97Å; G818-F846 PolarHBondContact O-N 2.91Å; F820-F846 HydrophobicContact CD2-CB 4Å; F820-F846 HydrophobicContact CD2-CD1 4.45Å; F820-F846 AromaticContact CD2-CD2 3.88Å; F820-F846 HydrophobicContact CD2-CD2 3.88Å; F820-F846 AromaticContact CD2-CG 3.86Å; F820-F846 HydrophobicContact CD2-CG 3.86Å; F820-F846 HydrophobicContact CE2-CB 4.07Å; F820-F846 HydrophobicContact CE2-CD2 4.2Å; F820-F846 HydrophobicContact CE2-CG 4.3Å; V822-F846 HydrophobicContact CG1-CZ 4.35Å; V822-F846 HydrophobicContact CG2-CE1 3.78Å; V822-F846 HydrophobicContact CG2-CZ 3.65Å; R844-F846 HydrophobicContact CB-CD1 3.93Å; R844-F846 HydrophobicContact CB-CE1 3.65Å; R844-F846 HydrophobicContact CG-CE1 4.38Å; F846-L853 HydrophobicContact CB-CD1 4.05Å; F846-L853 HydrophobicContact CD2-CD1 4.17Å; F846-L853 HydrophobicContact CD2-CD2 4.39Å; F846-L853 HydrophobicContact CE2-CD2 4.49Å; F846-L853 HydrophobicContact CG-CD1 4.27Å; F846-L854 WeakPolarHBondContact CA-O 3.25Å; F846-L855 HydrophobicContact CD1-CB 4.41Å; F846-L855 HydrophobicContact CD1-CD2 4.46Å; F846-L855 HydrophobicContact CD1-CG 3.9Å; F846-L855 HydrophobicContact CE1-CB 4.28Å; F846-L855 HydrophobicContact CE1-CD2 3.62Å; F846-L855 HydrophobicContact CE1-CG 3.55Å; F846-L855 HydrophobicContact CZ-CD2 3.96Å; F846-L855 HydrophobicContact CZ-CG 4.15Å; F846-I898 HydrophobicContact CD2-CD1 4.45Å; F846-I898 HydrophobicContact CE2-CD1 3.92Å; F846-V909 HydrophobicContact CE2-CG1 4.08Å; F846-V909 HydrophobicContact CE2-CG2 3.78Å; F846-V909 HydrophobicContact CZ-CG2 4.04Å; F846-W920 HydrophobicContact CB-CH2 3.55Å; F846-W920 HydrophobicContact CB-CZ2 4.38Å; F846-W920 HydrophobicContact CB-CZ3 3.96Å; F846-W920 HydrophobicContact CD2-CH2 4.48Å; F846-W920 HydrophobicContact CD2-CZ3 4.08Å |
| 847 | F | 91.8 | Very high | 80.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 110.3 | 169.1 | -64.2 | -95.8 | 0 | 0 | 0 | 108.4 | H797 I801 Q817 H845 Y849 L853 L854 C856 Y872 | H797-F847 HydrophobicContact CB-CE1 3.58Å; H797-F847 HydrophobicContact CB-CZ 4.05Å; H797-F847 WeakPolarHBondContact O-CZ 3.42Å; I801-F847 HydrophobicContact CD1-CD1 4.07Å; I801-F847 HydrophobicContact CD1-CD2 3.75Å; I801-F847 HydrophobicContact CD1-CE1 3.97Å; I801-F847 HydrophobicContact CD1-CE2 3.63Å; I801-F847 HydrophobicContact CD1-CG 3.96Å; I801-F847 HydrophobicContact CD1-CZ 3.75Å; I801-F847 HydrophobicContact CG1-CD2 4.26Å; I801-F847 HydrophobicContact CG1-CE1 4.26Å; I801-F847 HydrophobicContact CG1-CE2 3.64Å; I801-F847 HydrophobicContact CG1-CZ 3.64Å; Q817-F847 HydrophobicContact CB-CD1 3.82Å; Q817-F847 HydrophobicContact CB-CE1 4.11Å; Q817-F847 HydrophobicContact CB-CG 4.46Å; H845-F847 AromaticContact CD2-CE2 3.65Å; H845-F847 AromaticContact CD2-CZ 3.66Å; F847-Y849 HydrophobicContact CB-CD2 4.23Å; F847-Y849 HydrophobicContact CB-CE2 3.5Å; F847-Y849 VanDerWaalsContact CB-CE2 3.5Å; F847-Y849 WeakPolarHBondContact O-CD2 3.42Å; F847-L853 WeakPolarHBondContact O-CA 3.34Å; F847-L854 HydrophobicContact CB-CB 4.31Å; F847-L854 PolarHBondContact N-O 3.23Å; F847-L854 PolarHBondContact O-N 2.99Å; F847-C856 HydrophobicContact CE2-CB 4.36Å; F847-Y872 HydrophobicContact CE2-CD1 4.25Å; F847-Y872 HydrophobicContact CE2-CG 4.08Å; F847-Y872 HydrophobicContact CZ-CD1 4.26Å; F847-Y872 AromaticContact CZ-CD2 3.95Å; F847-Y872 HydrophobicContact CZ-CD2 3.95Å; F847-Y872 HydrophobicContact CZ-CE2 4.27Å; F847-Y872 AromaticContact CZ-CG 3.93Å; F847-Y872 HydrophobicContact CZ-CG 3.93Å |
| 848 | L | 92.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 116.3 | 177.2 | -179.4 | 58.6 | 0 | 0 | 0 | 109.2 | L815 M816 L853 M880 W920 E923 L924 I927 | L815-L848 PolarHBondContact N-O 3.1Å; M816-L848 HydrophobicContact CB-CB 4.35Å; M816-L848 PolarHBondContact N-O 3.47Å; M816-L848 PolarHBondContact O-N 2.88Å; L848-L853 HydrophobicContact CB-CD1 4.17Å; L848-L853 HydrophobicContact CD1-CB 4.31Å; L848-L853 HydrophobicContact CD1-CD1 4.31Å; L848-M880 HydrophobicContact CD1-CE 4.44Å; L848-M880 HydrophobicContact CD1-SD 3.92Å; L848-W920 HydrophobicContact CB-CH2 3.91Å; L848-W920 HydrophobicContact CB-CZ3 3.82Å; L848-W920 HydrophobicContact CD2-CE3 4.42Å; L848-W920 HydrophobicContact CD2-CZ3 4.33Å; L848-E923 HydrophobicContact CD2-CB 4.32Å; L848-E923 HydrophobicContact CD2-CG 3.91Å; L848-L924 HydrophobicContact CD1-CD2 3.67Å; L848-L924 HydrophobicContact CD2-CD2 3.87Å; L848-L924 HydrophobicContact CD2-CG 4.06Å; L848-L924 HydrophobicContact CG-CD2 4.44Å; L848-I927 HydrophobicContact CD1-CD1 3.66Å; L848-I927 HydrophobicContact CD2-CD1 3.8Å; L848-I927 HydrophobicContact CG-CD1 3.75Å |
| 849 | Y | 90.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 166.1 | 173.5 | -59.2 | -105.8 | 0 | 0 | 0 | 110.6 | I801 I808 L811 G812 R813 V814 F847 R851 A852 L854 | I801-Y849 WeakPolarHBondContact CD1-OH 3.48Å; I808-Y849 HydrophobicContact CG2-CE1 3.65Å; I808-Y849 VanDerWaalsContact CG2-OH 3.28Å; I808-Y849 WeakPolarHBondContact CG2-OH 3.41Å; L811-Y849 HydrophobicContact CB-CD1 3.78Å; L811-Y849 HydrophobicContact CB-CD2 4.38Å; L811-Y849 HydrophobicContact CB-CE1 4.39Å; L811-Y849 HydrophobicContact CB-CG 3.78Å; L811-Y849 HydrophobicContact CD1-CD2 4.15Å; L811-Y849 HydrophobicContact CD1-CE2 4.17Å; L811-Y849 HydrophobicContact CD1-CG 4.35Å; L811-Y849 WeakPolarHBondContact O-CB 3.48Å; G812-Y849 WeakPolarHBondContact O-CD1 3.38Å; R813-Y849 VanDerWaalsContact O-CA 3.25Å; R813-Y849 WeakPolarHBondContact O-CA 3.32Å; V814-Y849 HydrophobicContact CG2-CD1 3.75Å; V814-Y849 HydrophobicContact CG2-CE1 3.29Å; V814-Y849 HydrophobicContact CG2-CE2 4.35Å; V814-Y849 HydrophobicContact CG2-CG 4.45Å; F847-Y849 HydrophobicContact CB-CD2 4.23Å; F847-Y849 HydrophobicContact CB-CE2 3.5Å; F847-Y849 VanDerWaalsContact CB-CE2 3.5Å; F847-Y849 WeakPolarHBondContact O-CD2 3.42Å; Y849-R851 PolarHBondContact O-N 2.98Å; Y849-R851 VanDerWaalsContact O-N 3.16Å; Y849-A852 WeakPolarHBondContact CA-O 3.34Å; Y849-A852 WeakPolarHBondContact CB-O 3.36Å; Y849-A852 PolarHBondContact N-O 2.82Å; Y849-L854 HydrophobicContact CD2-CD1 4.45Å; Y849-L854 HydrophobicContact CD2-CG 4.11Å; Y849-L854 HydrophobicContact CE2-CB 4.26Å; Y849-L854 HydrophobicContact CE2-CD1 3.56Å; Y849-L854 HydrophobicContact CE2-CG 3.63Å |
| 850 | E | 86 | Confident | 84.7 | Confident | 57 Ų | 57 | 43.2 Ų | 43.2 | 27% | 0.266 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -57.2 | -28.4 | 177.4 | -68.4 | 168.1 | 136.8 | 0 | 0 | 113.8 | R813 L815 | R813-E850 IonicContact CZ-OE1 2.71Å; R813-E850 PolarHBondContact N-OE2 3.09Å; R813-E850 IonicContact NE-OE1 2.69Å; R813-E850 PolarHBondContact NE-OE1 2.94Å; R813-E850 VanDerWaalsContact NE-OE1 3.15Å; R813-E850 IonicContact NE-OE2 3.42Å; R813-E850 IonicContact NH2-OE1 2.71Å; R813-E850 PolarHBondContact NH2-OE1 2.72Å; R813-E850 PolarHBondContact O-N 3.3Å; L815-E850 HydrophobicContact CD1-CB 4.42Å; L815-E850 HydrophobicContact CD1-CG 3.77Å; L815-E850 HydrophobicContact CD2-CG 3.97Å; L815-E850 HydrophobicContact CG-CG 4.03Å |
| 851 | R | 87.4 | Confident | 84.7 | Confident | 159 Ų | 159 | 44.4 Ų | 44.4 | 60% | 0.6 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -116.8 | -16.4 | -177.4 | -52 | 173.5 | 77.5 | -160.1 | 8.5 | 114.7 | E810 L811 Y849 M880 | E810-R851 WeakPolarHBondContact O-CD 3.36Å; E810-R851 PolarHBondContact O-NH1 3.17Å; L811-R851 VanDerWaalsContact O-CB 3.27Å; L811-R851 WeakPolarHBondContact O-CB 3.34Å; L811-R851 WeakPolarHBondContact O-CG 3.46Å; L811-R851 PolarHBondContact O-N 2.74Å; Y849-R851 PolarHBondContact O-N 2.98Å; Y849-R851 VanDerWaalsContact O-N 3.16Å; R851-M880 WeakPolarHBondContact O-CB 3.48Å; R851-M880 PolarHBondContact O-N 3.46Å |
| 852 | A | 92.1 | Very high | 84 | Confident | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 160.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L811 Y849 L878 | L811-A852 HydrophobicContact CD1-CB 4.42Å; L811-A852 HydrophobicContact CD2-CB 3.89Å; Y849-A852 WeakPolarHBondContact CA-O 3.34Å; Y849-A852 WeakPolarHBondContact CB-O 3.36Å; Y849-A852 PolarHBondContact N-O 2.82Å; A852-L878 CarbonylContact C-O 3.59Å; A852-L878 VanDerWaalsContact CA-O 3.28Å; A852-L878 WeakPolarHBondContact CA-O 3.28Å |
| 853 | L | 93.4 | Very high | 82.6 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 114.9 | 169.1 | 173.3 | 61 | 0 | 0 | 0 | 108.9 | F846 F847 L848 L855 L878 M880 I898 W920 | F846-L853 HydrophobicContact CB-CD1 4.05Å; F846-L853 HydrophobicContact CD2-CD1 4.17Å; F846-L853 HydrophobicContact CD2-CD2 4.39Å; F846-L853 HydrophobicContact CE2-CD2 4.49Å; F846-L853 HydrophobicContact CG-CD1 4.27Å; F847-L853 WeakPolarHBondContact O-CA 3.34Å; L848-L853 HydrophobicContact CB-CD1 4.17Å; L848-L853 HydrophobicContact CD1-CB 4.31Å; L848-L853 HydrophobicContact CD1-CD1 4.31Å; L853-L855 HydrophobicContact CG-CD1 4.24Å; L853-L878 HydrophobicContact CB-CB 4.38Å; L853-L878 HydrophobicContact CD2-CD1 4.41Å; L853-L878 PolarHBondContact N-O 3.38Å; L853-L878 PolarHBondContact O-N 2.79Å; L853-M880 HydrophobicContact CB-SD 4.26Å; L853-I898 HydrophobicContact CD2-CD1 3.55Å; L853-I898 HydrophobicContact CD2-CG2 4.26Å; L853-W920 HydrophobicContact CD1-CH2 4.47Å; L853-W920 HydrophobicContact CD1-CZ3 4Å |
| 854 | L | 92.2 | Very high | 80.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 136.6 | 175.5 | -55.7 | -173.9 | 0 | 0 | 0 | 111 | I801 Y804 L811 F846 F847 Y849 F874 C877 | I801-L854 HydrophobicContact CD1-CD1 4.31Å; Y804-L854 HydrophobicContact CD2-CD2 4.49Å; Y804-L854 HydrophobicContact CE2-CD2 4.03Å; L811-L854 HydrophobicContact CD1-CD1 3.74Å; L811-L854 HydrophobicContact CD1-CD2 3.78Å; L811-L854 HydrophobicContact CD1-CG 3.88Å; F846-L854 WeakPolarHBondContact CA-O 3.25Å; F847-L854 HydrophobicContact CB-CB 4.31Å; F847-L854 PolarHBondContact N-O 3.23Å; F847-L854 PolarHBondContact O-N 2.99Å; Y849-L854 HydrophobicContact CD2-CD1 4.45Å; Y849-L854 HydrophobicContact CD2-CG 4.11Å; Y849-L854 HydrophobicContact CE2-CB 4.26Å; Y849-L854 HydrophobicContact CE2-CD1 3.56Å; Y849-L854 HydrophobicContact CE2-CG 3.63Å; L854-F874 HydrophobicContact CD2-CE2 4.07Å; L854-C877 HydrophobicContact CD2-CB 3.61Å; L854-C877 VanDerWaalsContact CD2-SG 3.54Å |
| 855 | L | 92.1 | Very high | 78.8 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.2 | 175.6 | -66.5 | 77.9 | 0 | 0 | 0 | 109.1 | F846 L853 K875 H876 L878 Y907 | F846-L855 HydrophobicContact CD1-CB 4.41Å; F846-L855 HydrophobicContact CD1-CD2 4.46Å; F846-L855 HydrophobicContact CD1-CG 3.9Å; F846-L855 HydrophobicContact CE1-CB 4.28Å; F846-L855 HydrophobicContact CE1-CD2 3.62Å; F846-L855 HydrophobicContact CE1-CG 3.55Å; F846-L855 HydrophobicContact CZ-CD2 3.96Å; F846-L855 HydrophobicContact CZ-CG 4.15Å; L853-L855 HydrophobicContact CG-CD1 4.24Å; L855-K875 WeakPolarHBondContact O-CA 3.42Å; L855-K875 WeakPolarHBondContact O-CB 3.48Å; L855-K875 PolarHBondContact O-N 3.27Å; L855-H876 HydrophobicContact CB-CB 4.26Å; L855-H876 HydrophobicContact CD1-CB 4.43Å; L855-H876 PolarHBondContact N-O 3.24Å; L855-H876 PolarHBondContact O-N 3.43Å; L855-L878 HydrophobicContact CD1-CD1 4.05Å; L855-L878 HydrophobicContact CD1-CG 3.98Å; L855-Y907 HydrophobicContact CD2-CD1 3.86Å; L855-Y907 HydrophobicContact CD2-CE1 3.78Å |
| 856 | C | 89.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 151.2 | -178.3 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | R844 H845 F847 S873 | R844-C856 CarbonylContact C-O 3.27Å; R844-C856 VanDerWaalsContact CA-O 3.31Å; R844-C856 WeakPolarHBondContact CA-O 3.36Å; R844-C856 VanDerWaalsContact CD-O 3.29Å; R844-C856 WeakPolarHBondContact CD-O 3.28Å; H845-C856 PolarHBondContact N-O 3.23Å; H845-C856 PolarHBondContact O-N 2.99Å; F847-C856 HydrophobicContact CE2-CB 4.36Å; C856-S873 CarbonylContact C-O 3.2Å; C856-S873 VanDerWaalsContact CA-O 3.3Å; C856-S873 WeakPolarHBondContact CA-O 3.39Å |
| 857 | K | 88.4 | Confident | 74.7 | Confident | 61 Ų | 61 | 67.2 Ų | 67.2 | 27% | 0.265 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 111.7 | 163.4 | -177.8 | 173.3 | -178.7 | 175.2 | 0 | 107.3 | E235 S873 K875 | E235-K857 IonicContact OE1-NZ 2.69Å; E235-K857 PolarHBondContact OE1-NZ 2.69Å; K857-S873 PolarHBondContact N-O 3.49Å; K857-S873 PolarHBondContact O-N 3.07Å; K857-S873 PolarHBondContact O-OG 2.96Å; K857-K875 HydrophobicContact CB-CG 4.26Å |
| 858 | R | 84 | Confident | 73.1 | Confident | 115 Ų | 115 | 76.9 Ų | 76.9 | 43% | 0.434 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 140.2 | 168.4 | 171.3 | 172.7 | 162 | 155.8 | -9.1 | 109 | E860 P870 S871 Y872 | R858-E860 IonicContact CZ-OE1 3.83Å; R858-E860 VanDerWaalsContact CZ-OE1 3.22Å; R858-E860 IonicContact NE-OE1 2.65Å; R858-E860 PolarHBondContact NE-OE1 2.88Å; R858-E860 IonicContact NH2-OE1 3.2Å; R858-E860 PolarHBondContact NH2-OE1 3.5Å; R858-P870 HydrophobicContact CG-CB 4.29Å; R858-S871 CarbonylContact C-O 3.5Å; R858-S871 WeakPolarHBondContact CA-O 3.1Å; R858-Y872 HydrophobicContact CB-CD1 4.13Å; R858-Y872 HydrophobicContact CB-CE1 4.19Å; R858-Y872 HydrophobicContact CG-CE1 4.43Å |
| 859 | R | 78.5 | Confident | 71.6 | Confident | 117 Ų | 117 | 81.1 Ų | 81.1 | 44% | 0.442 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 153.3 | 173.9 | -61.6 | -60.9 | -166.2 | 148.9 | 10.4 | 108.2 | S871 S873 | R859-S871 WeakPolarHBondContact CB-OG 3.5Å; R859-S871 PolarHBondContact N-O 2.81Å; R859-S871 PolarHBondContact O-N 2.85Å; R859-S873 PolarHBondContact NE-OG 2.88Å |
| 860 | E | 66.7 | Low | 70.5 | Confident | 112 Ų | 112 | 83 Ų | 83 | 52% | 0.523 | 43% | 0.43 | S | S | . | . | trans | -128.2 | 112.4 | 170 | -67.4 | 178.8 | -172.7 | 0 | 0 | 104.7 | R858 H862 | R858-E860 IonicContact CZ-OE1 3.83Å; R858-E860 VanDerWaalsContact CZ-OE1 3.22Å; R858-E860 IonicContact NE-OE1 2.65Å; R858-E860 PolarHBondContact NE-OE1 2.88Å; R858-E860 IonicContact NH2-OE1 3.2Å; R858-E860 PolarHBondContact NH2-OE1 3.5Å; E860-H862 PolarHBondContact O-N 2.98Å | ||
| 861 | D | 52 | Low | 70.3 | Confident | 114 Ų | 114 | 81.3 Ų | 81.3 | 61% | 0.61 | 42% | 0.424 | S | S | * | . | trans | -83.1 | 109 | -170 | -69.8 | -63.2 | 0 | 0 | 0 | 109.2 | G863 S871 | D861-G863 PolarHBondContact O-N 3.17Å; D861-S871 PolarHBondContact OD2-OG 3.48Å | ||
| 862 | H | 49.6 | Very low | 70.4 | Confident | 190 Ų | 190 | 73.9 Ų | 73.9 | 88% | 0.88 | 40% | 0.396 | S | S | * | . | trans | -75.6 | 39.4 | 179.4 | -61.5 | -61 | 0 | 0 | 0 | 113 | E860 | E860-H862 PolarHBondContact O-N 2.98Š| ||
| 863 | G | 47.5 | Very low | 70.1 | Confident | 53 Ų | 53 | 74.4 Ų | 74.4 | 55% | 0.546 | 40% | 0.4 | S | S | . | . | trans | -76.5 | 153.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | D861 G865 | D861-G863 PolarHBondContact O-N 3.17Å; G863-G865 PolarHBondContact O-N 3.42Å | ||
| 864 | D | 46 | Very low | 70 | Confident | 187 Ų | 187 | 76.5 Ų | 76.5 | 100% | 1 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -78.1 | 41.1 | -179.4 | -156.2 | 24.2 | 0 | 0 | 0 | 112.5 | ||
| 865 | G | 49.9 | Very low | 69.7 | Low | 59 Ų | 59 | 81.1 Ų | 81.1 | 61% | 0.608 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -139.9 | 148.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G863 D867 | G863-G865 PolarHBondContact O-N 3.42Å; G865-D867 VanDerWaalsContact C-N 3.32Å; G865-D867 PolarHBondContact O-N 3.47Å |
| 866 | S | 46.9 | Very low | 69.4 | Low | 100 Ų | 100 | 83.8 Ų | 83.8 | 70% | 0.699 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -77 | -4.9 | -164.7 | 53.4 | 0 | 0 | 0 | 0 | 116.6 | K868 | S866-K868 PolarHBondContact O-N 2.86Š|
| 867 | D | 52.1 | Low | 69.5 | Low | 80 Ų | 80 | 85.4 Ų | 85.4 | 43% | 0.428 | 45% | 0.452 | S | S | . | . | trans | -80.4 | 87 | -179.8 | -86 | -41.1 | 0 | 0 | 0 | 112.6 | R721 G865 T869 | R721-D867 IonicContact CZ-OD1 3.77Å; R721-D867 IonicContact NH1-OD1 3.36Å; R721-D867 PolarHBondContact NH1-OD1 2.97Å; R721-D867 IonicContact NH1-OD2 3.51Å; R721-D867 PolarHBondContact NH1-OD2 3.44Å; R721-D867 IonicContact NH2-OD1 2.69Å; R721-D867 PolarHBondContact NH2-OD1 2.92Å; G865-D867 VanDerWaalsContact C-N 3.32Å; G865-D867 PolarHBondContact O-N 3.47Å; D867-T869 PolarHBondContact O-N 3.39Å | ||
| 868 | K | 57.8 | Low | 69.6 | Low | 203 Ų | 203 | 82.5 Ų | 82.5 | 88% | 0.883 | 44% | 0.44 | S | S | * | . | trans | -74.7 | 36.2 | 173.7 | -59.6 | -177.8 | 179.7 | -178.9 | 0 | 113.4 | S866 P870 | S866-K868 PolarHBondContact O-N 2.86Å; K868-P870 WeakPolarHBondContact O-CD 3.27Å | ||
| 869 | T | 60.5 | Low | 69.9 | Low | 90 Ų | 90 | 83.2 Ų | 83.2 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -78 | 118.6 | 178 | 49.1 | 0 | 0 | 0 | 0 | 110.2 | D867 S871 | D867-T869 PolarHBondContact O-N 3.39Å; T869-S871 PolarHBondContact O-N 2.84Å |
| 870 | P | 68.1 | Low | 70.4 | Confident | 38 Ų | 38 | 77.7 Ų | 77.7 | 25% | 0.247 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 124.8 | -178.4 | 28.2 | -33.9 | 0 | 0 | 0 | 110.9 | R858 K868 Y872 | R858-P870 HydrophobicContact CG-CB 4.29Å; K868-P870 WeakPolarHBondContact O-CD 3.27Å; P870-Y872 WeakPolarHBondContact O-CE2 3.44Å |
| 871 | S | 82.3 | Confident | 71.4 | Confident | 22 Ų | 22 | 77.8 Ų | 77.8 | 15% | 0.154 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 150 | 178.1 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | R858 R859 D861 T869 | R858-S871 CarbonylContact C-O 3.5Å; R858-S871 WeakPolarHBondContact CA-O 3.1Å; R859-S871 WeakPolarHBondContact CB-OG 3.5Å; R859-S871 PolarHBondContact N-O 2.81Å; R859-S871 PolarHBondContact O-N 2.85Å; D861-S871 PolarHBondContact OD2-OG 3.48Å; T869-S871 PolarHBondContact O-N 2.84Å |
| 872 | Y | 87.9 | Confident | 73 | Confident | 3 Ų | 3 | 74.1 Ų | 74.1 | 1% | 0.012 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 93.2 | -171.9 | -62.3 | -82.5 | 0 | 0 | 0 | 111.5 | H797 A800 I801 T802 H845 F847 R858 P870 F874 | H797-Y872 HydrophobicContact CB-CE2 4.1Å; H797-Y872 AromaticContact ND1-CE2 3.81Å; H797-Y872 AromaticContact ND1-CZ 3.76Å; H797-Y872 PolarHBondContact ND1-OH 2.66Å; A800-Y872 HydrophobicContact CB-CD2 3.75Å; A800-Y872 HydrophobicContact CB-CE2 4.1Å; A800-Y872 PolarHBondContact O-N 3.1Å; I801-Y872 WeakPolarHBondContact CA-O 3.22Å; T802-Y872 PolarHBondContact N-O 2.82Å; H845-Y872 HydrophobicContact CB-CD1 3.7Å; H845-Y872 HydrophobicContact CB-CE1 3.68Å; H845-Y872 AromaticContact CD2-CD1 3.68Å; H845-Y872 AromaticContact CD2-CE1 3.2Å; H845-Y872 WeakPolarHBondContact CD2-CE1 3.49Å; H845-Y872 AromaticContact CD2-CZ 3.77Å; H845-Y872 AromaticContact CE1-CE1 3.96Å; H845-Y872 AromaticContact CG-CD1 3.78Å; H845-Y872 AromaticContact CG-CE1 3.29Å; H845-Y872 AromaticContact ND1-CE1 3.78Å; H845-Y872 AromaticContact NE2-CE1 3.62Å; H845-Y872 AromaticContact NE2-CZ 3.76Å; F847-Y872 HydrophobicContact CE2-CD1 4.25Å; F847-Y872 HydrophobicContact CE2-CG 4.08Å; F847-Y872 HydrophobicContact CZ-CD1 4.26Å; F847-Y872 AromaticContact CZ-CD2 3.95Å; F847-Y872 HydrophobicContact CZ-CD2 3.95Å; F847-Y872 HydrophobicContact CZ-CE2 4.27Å; F847-Y872 AromaticContact CZ-CG 3.93Å; F847-Y872 HydrophobicContact CZ-CG 3.93Å; R858-Y872 HydrophobicContact CB-CD1 4.13Å; R858-Y872 HydrophobicContact CB-CE1 4.19Å; R858-Y872 HydrophobicContact CG-CE1 4.43Å; P870-Y872 WeakPolarHBondContact O-CE2 3.44Å; Y872-F874 PolarHBondContact O-N 3.19Å |
| 873 | S | 87 | Confident | 75 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 10% | 0.098 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 116.9 | 179.3 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | C856 K857 R859 | C856-S873 CarbonylContact C-O 3.2Å; C856-S873 VanDerWaalsContact CA-O 3.3Å; C856-S873 WeakPolarHBondContact CA-O 3.39Å; K857-S873 PolarHBondContact N-O 3.49Å; K857-S873 PolarHBondContact O-N 3.07Å; K857-S873 PolarHBondContact O-OG 2.96Å; R859-S873 PolarHBondContact NE-OG 2.88Å |
| 874 | F | 90.1 | Very high | 77 | Confident | 45 Ų | 45 | 63.4 Ų | 63.4 | 20% | 0.197 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 144.6 | -179.8 | 172.4 | -109.3 | 0 | 0 | 0 | 112.5 | T802 G803 Y804 L854 Y872 H876 C877 | T802-F874 WeakPolarHBondContact O-CB 3.35Å; T802-F874 PolarHBondContact O-N 3.42Å; G803-F874 VanDerWaalsContact O-CD1 3.3Å; G803-F874 WeakPolarHBondContact O-CD1 3.43Å; Y804-F874 HydrophobicContact CD2-CD1 4.2Å; Y804-F874 AromaticContact CD2-CD2 3.77Å; Y804-F874 HydrophobicContact CD2-CD2 3.77Å; Y804-F874 HydrophobicContact CD2-CE1 4.06Å; Y804-F874 AromaticContact CD2-CE2 3.63Å; Y804-F874 HydrophobicContact CD2-CE2 3.63Å; Y804-F874 HydrophobicContact CD2-CG 4.06Å; Y804-F874 AromaticContact CD2-CZ 3.78Å; Y804-F874 HydrophobicContact CD2-CZ 3.78Å; Y804-F874 HydrophobicContact CE2-CE2 4.07Å; Y804-F874 HydrophobicContact CE2-CZ 4.11Å; L854-F874 HydrophobicContact CD2-CE2 4.07Å; Y872-F874 PolarHBondContact O-N 3.19Å; F874-H876 WeakPolarHBondContact CE2-O 3.48Å; F874-C877 HydrophobicContact CE2-CB 3.96Å; F874-C877 HydrophobicContact CZ-CB 3.93Å |
| 875 | K | 87.4 | Confident | 79.3 | Confident | 96 Ų | 96 | 56.3 Ų | 56.3 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | -40.6 | 179.5 | -63.3 | -72.6 | 150.4 | -100.8 | 0 | 114.3 | L855 K857 | L855-K875 WeakPolarHBondContact O-CA 3.42Å; L855-K875 WeakPolarHBondContact O-CB 3.48Å; L855-K875 PolarHBondContact O-N 3.27Å; K857-K875 HydrophobicContact CB-CG 4.26Å |
| 876 | H | 85.9 | Confident | 81.2 | Confident | 61 Ų | 61 | 55 Ų | 55 | 28% | 0.282 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 156 | -178.6 | -160.7 | 46.6 | 0 | 0 | 0 | 112.1 | L855 F874 L878 E905 Y907 | L855-H876 HydrophobicContact CB-CB 4.26Å; L855-H876 HydrophobicContact CD1-CB 4.43Å; L855-H876 PolarHBondContact N-O 3.24Å; L855-H876 PolarHBondContact O-N 3.43Å; F874-H876 WeakPolarHBondContact CE2-O 3.48Å; H876-L878 VanDerWaalsContact CD2-CD2 3.41Å; H876-L878 WeakPolarHBondContact CD2-CD2 3.48Å; H876-L878 WeakPolarHBondContact NE2-CD2 3.35Å; H876-E905 IonicContact CD2-OE2 2.72Å; H876-E905 IonicContact CE1-OE1 2.71Å; H876-E905 IonicContact CE1-OE2 2.69Å; H876-E905 IonicContact NE2-OE1 2.66Å; H876-E905 PolarHBondContact NE2-OE1 2.93Å; H876-E905 IonicContact NE2-OE2 3.15Å; H876-E905 PolarHBondContact NE2-OE2 3.27Å; H876-Y907 AromaticContact CD2-CZ 3.92Å; H876-Y907 PolarHBondContact CD2-OH 3.48Å; H876-Y907 PolarHBondContact NE2-OH 3.22Å |
| 877 | C | 90.1 | Very high | 83.2 | Confident | 33 Ų | 33 | 53 Ų | 53 | 22% | 0.223 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 112.2 | -179 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | L854 F874 | L854-C877 HydrophobicContact CD2-CB 3.61Å; L854-C877 VanDerWaalsContact CD2-SG 3.54Å; F874-C877 HydrophobicContact CE2-CB 3.96Å; F874-C877 HydrophobicContact CZ-CB 3.93Å |
| 878 | L | 90.8 | Very high | 84.7 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 118.4 | 176.9 | -55.2 | 179.3 | 0 | 0 | 0 | 109.7 | A852 L853 L855 H876 M880 V883 I898 Y900 E905 Y907 | A852-L878 CarbonylContact C-O 3.59Å; A852-L878 VanDerWaalsContact CA-O 3.28Å; A852-L878 WeakPolarHBondContact CA-O 3.28Å; L853-L878 HydrophobicContact CB-CB 4.38Å; L853-L878 HydrophobicContact CD2-CD1 4.41Å; L853-L878 PolarHBondContact N-O 3.38Å; L853-L878 PolarHBondContact O-N 2.79Å; L855-L878 HydrophobicContact CD1-CD1 4.05Å; L855-L878 HydrophobicContact CD1-CG 3.98Å; H876-L878 VanDerWaalsContact CD2-CD2 3.41Å; H876-L878 WeakPolarHBondContact CD2-CD2 3.48Å; H876-L878 WeakPolarHBondContact NE2-CD2 3.35Å; L878-M880 PolarHBondContact O-N 3Å; L878-V883 HydrophobicContact CB-CG2 3.77Å; L878-I898 HydrophobicContact CD1-CG2 4.43Å; L878-Y900 HydrophobicContact CB-CD2 4.07Å; L878-Y900 HydrophobicContact CB-CE2 4.24Å; L878-Y900 HydrophobicContact CD2-CD1 4.03Å; L878-Y900 HydrophobicContact CD2-CD2 3.95Å; L878-Y900 HydrophobicContact CD2-CE1 4.5Å; L878-Y900 HydrophobicContact CD2-CE2 4.4Å; L878-Y900 HydrophobicContact CD2-CG 3.74Å; L878-E905 WeakPolarHBondContact CD2-OE2 3.48Å; L878-Y907 HydrophobicContact CD1-CD2 3.88Å; L878-Y907 HydrophobicContact CD1-CE2 3.73Å; L878-Y907 HydrophobicContact CD2-CE2 4.01Å; L878-Y907 HydrophobicContact CG-CE2 4.45Å |
| 879 | K | 90.2 | Very high | 85.8 | Confident | 130 Ų | 130 | 46.6 Ų | 46.6 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.5 | 175.2 | -67.3 | -175.2 | 178.8 | -178 | 0 | 109.8 | T881 A882 V883 Y900 | K879-T881 PolarHBondContact O-N 2.94Å; K879-A882 PolarHBondContact O-N 3.11Å; K879-V883 PolarHBondContact O-N 3.19Å; K879-Y900 WeakPolarHBondContact O-CE2 3.23Å |
| 880 | M | 89.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -60 | -24.9 | -172.6 | -73.6 | -57.4 | -60.2 | 0 | 0 | 113.5 | L848 R851 L853 L878 A882 V883 L924 I927 L928 Q931 | L848-M880 HydrophobicContact CD1-CE 4.44Å; L848-M880 HydrophobicContact CD1-SD 3.92Å; R851-M880 WeakPolarHBondContact O-CB 3.48Å; R851-M880 PolarHBondContact O-N 3.46Å; L853-M880 HydrophobicContact CB-SD 4.26Å; L878-M880 PolarHBondContact O-N 3Å; M880-A882 PolarHBondContact O-N 3.31Å; M880-A882 VanDerWaalsContact O-N 3.15Å; M880-V883 HydrophobicContact CE-CB 4.24Å; M880-V883 HydrophobicContact CE-CG1 4.04Å; M880-V883 PolarHBondContact O-N 3.08Å; M880-V883 HydrophobicContact SD-CB 4.12Å; M880-V883 HydrophobicContact SD-CG1 4.18Å; M880-V883 HydrophobicContact SD-CG2 4.07Å; M880-L924 HydrophobicContact CE-CD2 3.76Å; M880-L924 HydrophobicContact SD-CD2 4.31Å; M880-I927 HydrophobicContact CB-CG2 4.16Å; M880-I927 HydrophobicContact CE-CB 4.21Å; M880-I927 HydrophobicContact CE-CD1 4.31Å; M880-I927 HydrophobicContact CE-CG2 3.88Å; M880-I927 HydrophobicContact CG-CG2 4.16Å; M880-L928 HydrophobicContact CE-CD2 4.1Å; M880-L928 HydrophobicContact CE-CG 4.22Å; M880-Q931 VanDerWaalsContact CB-NE2 3.35Å |
| 881 | T | 86.8 | Confident | 86.4 | Confident | 115 Ų | 115 | 55 Ų | 55 | 71% | 0.706 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -61.5 | -16.8 | 174.8 | 56.6 | 0 | 0 | 0 | 0 | 114.9 | K879 | K879-T881 PolarHBondContact O-N 2.94Š|
| 882 | A | 86.3 | Confident | 86.2 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 31% | 0.306 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -126.8 | 14.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K879 M880 Y900 S901 | K879-A882 PolarHBondContact O-N 3.11Å; M880-A882 PolarHBondContact O-N 3.31Å; M880-A882 VanDerWaalsContact O-N 3.15Å; A882-Y900 HydrophobicContact CB-CD2 4.09Å; A882-Y900 HydrophobicContact CB-CE2 3.62Å; A882-Y900 WeakPolarHBondContact O-CA 3.43Å; A882-Y900 VanDerWaalsContact O-CD2 3.29Å; A882-Y900 WeakPolarHBondContact O-CD2 3.44Å; A882-S901 PolarHBondContact O-N 3.41Å |
| 883 | V | 91.9 | Very high | 86.1 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 7% | 0.073 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 141 | 173.9 | 168.2 | 0 | 0 | 0 | 0 | 110.3 | L878 K879 M880 I898 W899 Y900 L928 | L878-V883 HydrophobicContact CB-CG2 3.77Å; K879-V883 PolarHBondContact O-N 3.19Å; M880-V883 HydrophobicContact CE-CB 4.24Å; M880-V883 HydrophobicContact CE-CG1 4.04Å; M880-V883 PolarHBondContact O-N 3.08Å; M880-V883 HydrophobicContact SD-CB 4.12Å; M880-V883 HydrophobicContact SD-CG1 4.18Å; M880-V883 HydrophobicContact SD-CG2 4.07Å; V883-I898 HydrophobicContact CG1-CG2 3.68Å; V883-W899 CarbonylContact C-O 3.56Å; V883-W899 WeakPolarHBondContact CA-O 3.46Å; V883-Y900 HydrophobicContact CG2-CD2 3.9Å; V883-Y900 HydrophobicContact CG2-CE2 4.42Å; V883-L928 VanDerWaalsContact O-CD2 3.29Å; V883-L928 WeakPolarHBondContact O-CD2 3.24Å |
| 884 | G | 89.9 | Confident | 86.3 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 6% | 0.062 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 175.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I898 W899 | G884-I898 WeakPolarHBondContact O-CA 3.45Å; G884-W899 PolarHBondContact N-O 2.97Å; G884-W899 PolarHBondContact O-N 3.11Å |
| 885 | I | 93.4 | Very high | 86.3 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 19% | 0.19 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 157 | -173.9 | 56.4 | 175.1 | 0 | 0 | 0 | 112.3 | E897 W899 L921 L924 R925 L928 | I885-E897 CarbonylContact C-O 3.48Å; I885-E897 VanDerWaalsContact CA-O 3.28Å; I885-E897 WeakPolarHBondContact CA-O 3.42Å; I885-W899 PolarHBondContact O-NE1 2.79Å; I885-W899 VanDerWaalsContact O-NE1 3.07Å; I885-L921 HydrophobicContact CB-CD2 4.47Å; I885-L921 HydrophobicContact CD1-CD2 4.08Å; I885-L924 HydrophobicContact CD1-CB 4.44Å; I885-L924 HydrophobicContact CG2-CB 4.22Å; I885-L924 HydrophobicContact CG2-CD1 3.98Å; I885-R925 HydrophobicContact CD1-CG 3.94Å; I885-L928 HydrophobicContact CG1-CD1 4.45Å |
| 886 | T | 90 | Very high | 86.6 | Confident | 33 Ų | 33 | 58.3 Ų | 58.3 | 20% | 0.202 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 116.9 | 165.3 | -46.2 | 0 | 0 | 0 | 0 | 108.3 | N888 F896 E897 R903 | T886-N888 PolarHBondContact O-N 2.86Å; T886-F896 CarbonylContact O-C 3.54Å; T886-F896 WeakPolarHBondContact O-CA 3.39Å; T886-F896 WeakPolarHBondContact O-CB 3.38Å; T886-E897 WeakPolarHBondContact CB-OE2 3.34Å; T886-E897 PolarHBondContact N-O 2.99Å; T886-E897 PolarHBondContact O-N 3.26Å; T886-E897 PolarHBondContact OG1-OE2 3.42Å; T886-R903 PolarHBondContact OG1-NH2 3.18Å |
| 887 | E | 89.3 | Confident | 86.9 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 27% | 0.266 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -68 | -33.6 | -174.2 | 170.9 | 162.2 | -113.4 | 0 | 0 | 113.9 | K917 L921 R925 | E887-K917 WeakPolarHBondContact O-CE 3.42Å; E887-K917 PolarHBondContact O-NZ 3.45Å; E887-L921 HydrophobicContact CB-CD1 4.11Å; E887-L921 HydrophobicContact CG-CD1 3.73Å; E887-R925 IonicContact OE1-CZ 3.9Å; E887-R925 VanDerWaalsContact OE1-CZ 3.24Å; E887-R925 IonicContact OE1-NH1 3.47Å; E887-R925 PolarHBondContact OE1-NH1 3.38Å; E887-R925 IonicContact OE1-NH2 2.73Å; E887-R925 PolarHBondContact OE1-NH2 2.85Å; E887-R925 IonicContact OE2-CZ 3.16Å; E887-R925 IonicContact OE2-NH2 2.72Å; E887-R925 PolarHBondContact OE2-NH2 3.18Å |
| 888 | N | 82.4 | Confident | 87 | Confident | 114 Ų | 114 | 55.7 Ų | 55.7 | 61% | 0.61 | 31% | 0.311 | S | S | * | . | trans | -124.6 | 120.2 | -169.7 | -69.3 | -48.2 | 0 | 0 | 0 | 112.4 | T886 | T886-N888 PolarHBondContact O-N 2.86Š| ||
| 889 | V | 82.6 | Confident | 87 | Confident | 34 Ų | 34 | 58.8 Ų | 58.8 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | trans | -107.4 | 137.1 | 173.1 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | G891 K895 E897 V908 | V889-G891 PolarHBondContact O-N 3.42Å; V889-K895 HydrophobicContact CB-CB 3.76Å; V889-K895 HydrophobicContact CG1-CB 4.2Å; V889-K895 HydrophobicContact CG1-CD 4.45Å; V889-K895 HydrophobicContact CG2-CB 4.07Å; V889-E897 HydrophobicContact CG2-CG 3.67Å; V889-V908 HydrophobicContact CG1-CG1 4.42Å; V889-V908 HydrophobicContact CG2-CG1 4.42Å | ||
| 890 | K | 70.6 | Confident | 86.9 | Confident | 214 Ų | 214 | 55 Ų | 55 | 93% | 0.93 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 135.1 | 179.6 | -67.6 | -178.2 | 179.5 | 178.2 | 0 | 110.7 | ||
| 891 | G | 70.3 | Confident | 86.6 | Confident | 90 Ų | 90 | 57.3 Ų | 57.3 | 93% | 0.928 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.8 | -10.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | V889 | V889-G891 PolarHBondContact O-N 3.42Š|
| 892 | D | 78 | Confident | 86 | Confident | 33 Ų | 33 | 55.2 Ų | 55.2 | 18% | 0.176 | 32% | 0.323 | C | S | . | . | trans | -151.3 | 115.6 | 173.2 | -176.8 | -4.3 | 0 | 0 | 0 | 111.4 | K894 K895 Q910 | D892-K894 PolarHBondContact O-N 3.19Å; D892-K894 WeakPolarHBondContact OD1-CB 3.5Å; D892-K894 PolarHBondContact OD1-N 2.72Å; D892-K895 HydrophobicContact CB-CB 4.26Å; D892-K895 HydrophobicContact CB-CD 3.85Å; D892-K895 HydrophobicContact CB-CG 3.87Å; D892-K895 PolarHBondContact O-N 3.44Å; D892-K895 VanDerWaalsContact O-N 3.09Å; D892-K895 VanDerWaalsContact OD2-CE 3.31Å; D892-K895 WeakPolarHBondContact OD2-CE 3.49Å; D892-Q910 PolarHBondContact OD2-NE2 3.47Å | ||
| 893 | V | 86.5 | Confident | 85.7 | Confident | 109 Ų | 109 | 58 Ų | 58 | 66% | 0.661 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.3 | 179.2 | -64.1 | 0 | 0 | 0 | 0 | 113.4 | K895 V914 K917 | V893-K895 VanDerWaalsContact C-N 3.33Å; V893-V914 HydrophobicContact CG2-CG2 4Å; V893-K917 VanDerWaalsContact O-CD 3.25Å; V893-K917 WeakPolarHBondContact O-CD 3.37Å; V893-K917 WeakPolarHBondContact O-CE 3.44Å; V893-K917 PolarHBondContact O-NZ 3.24Å |
| 894 | K | 89.4 | Confident | 84.8 | Confident | 68 Ų | 68 | 62.3 Ų | 62.3 | 30% | 0.296 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -3.4 | 177.4 | -54.2 | -168.1 | -59.4 | 178.3 | 0 | 113.5 | D892 A911 P912 V914 | D892-K894 PolarHBondContact O-N 3.19Å; D892-K894 WeakPolarHBondContact OD1-CB 3.5Å; D892-K894 PolarHBondContact OD1-N 2.72Å; K894-A911 PolarHBondContact O-N 3.14Å; K894-P912 WeakPolarHBondContact CD-O 3.44Å; K894-P912 PolarHBondContact NZ-O 3.26Å; K894-V914 HydrophobicContact CG-CG2 3.88Å |
| 895 | K | 90.4 | Very high | 84.3 | Confident | 41 Ų | 41 | 63.6 Ų | 63.6 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 144.3 | 177.4 | -72.6 | -176.8 | -167.2 | -165.7 | 0 | 113 | W823 V889 D892 V893 V908 V909 Q910 K917 | W823-K895 HydrophobicContact CZ3-CD 4.25Å; V889-K895 HydrophobicContact CB-CB 3.76Å; V889-K895 HydrophobicContact CG1-CB 4.2Å; V889-K895 HydrophobicContact CG1-CD 4.45Å; V889-K895 HydrophobicContact CG2-CB 4.07Å; D892-K895 HydrophobicContact CB-CB 4.26Å; D892-K895 HydrophobicContact CB-CD 3.85Å; D892-K895 HydrophobicContact CB-CG 3.87Å; D892-K895 PolarHBondContact O-N 3.44Å; D892-K895 VanDerWaalsContact O-N 3.09Å; D892-K895 VanDerWaalsContact OD2-CE 3.31Å; D892-K895 WeakPolarHBondContact OD2-CE 3.49Å; V893-K895 VanDerWaalsContact C-N 3.33Å; K895-V908 HydrophobicContact CD-CG1 4.11Å; K895-V909 VanDerWaalsContact CA-O 3.29Å; K895-V909 WeakPolarHBondContact CA-O 3.38Å; K895-Q910 HydrophobicContact CD-CB 4.45Å; K895-Q910 HydrophobicContact CG-CB 3.75Å; K895-Q910 HydrophobicContact CG-CG 4.1Å; K895-K917 WeakPolarHBondContact O-CE 3.48Å; K895-K917 PolarHBondContact O-NZ 3.46Å |
| 896 | F | 93.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 166.9 | 168.7 | 66.8 | -77.9 | 0 | 0 | 0 | 109.1 | T886 I898 V909 K917 W920 L921 L924 | T886-F896 CarbonylContact O-C 3.54Å; T886-F896 WeakPolarHBondContact O-CA 3.39Å; T886-F896 WeakPolarHBondContact O-CB 3.38Å; F896-I898 HydrophobicContact CD2-CG1 4.09Å; F896-I898 HydrophobicContact CE2-CD1 3.86Å; F896-I898 HydrophobicContact CE2-CG1 3.66Å; F896-V909 HydrophobicContact CD1-CB 4.11Å; F896-V909 HydrophobicContact CD1-CG1 4.39Å; F896-V909 WeakPolarHBondContact CD1-O 3.34Å; F896-V909 HydrophobicContact CD2-CB 4.49Å; F896-V909 HydrophobicContact CE1-CB 3.77Å; F896-V909 HydrophobicContact CE1-CG1 3.6Å; F896-V909 HydrophobicContact CE2-CB 4.19Å; F896-V909 HydrophobicContact CE2-CG1 4.44Å; F896-V909 HydrophobicContact CE2-CG2 4.44Å; F896-V909 HydrophobicContact CG-CB 4.47Å; F896-V909 HydrophobicContact CZ-CB 3.83Å; F896-V909 HydrophobicContact CZ-CG1 3.64Å; F896-V909 HydrophobicContact CZ-CG2 4.4Å; F896-V909 PolarHBondContact N-O 3.39Å; F896-V909 PolarHBondContact O-N 2.7Å; F896-K917 HydrophobicContact CB-CD 4.43Å; F896-K917 HydrophobicContact CD1-CB 4.33Å; F896-K917 HydrophobicContact CD1-CD 4.31Å; F896-K917 HydrophobicContact CD1-CG 3.95Å; F896-W920 HydrophobicContact CZ-CB 4.24Å; F896-L921 HydrophobicContact CB-CD1 4.28Å; F896-L921 HydrophobicContact CB-CD2 4.09Å; F896-L921 HydrophobicContact CB-CG 4.43Å; F896-L921 HydrophobicContact CD2-CD2 3.76Å; F896-L921 HydrophobicContact CD2-CG 4.28Å; F896-L921 HydrophobicContact CE2-CD2 4.43Å; F896-L921 HydrophobicContact CG-CD2 4.11Å; F896-L921 HydrophobicContact CG-CG 4.33Å; F896-L924 HydrophobicContact CE2-CD1 4.11Å |
| 897 | E | 92.5 | Very high | 83.8 | Confident | 37 Ų | 37 | 61.4 Ų | 61.4 | 17% | 0.173 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 142.6 | 172.6 | -48.1 | 175.9 | 160.7 | 0 | 0 | 110 | I885 T886 V889 R903 V906 Y907 | I885-E897 CarbonylContact C-O 3.48Å; I885-E897 VanDerWaalsContact CA-O 3.28Å; I885-E897 WeakPolarHBondContact CA-O 3.42Å; T886-E897 WeakPolarHBondContact CB-OE2 3.34Å; T886-E897 PolarHBondContact N-O 2.99Å; T886-E897 PolarHBondContact O-N 3.26Å; T886-E897 PolarHBondContact OG1-OE2 3.42Å; V889-E897 HydrophobicContact CG2-CG 3.67Å; E897-R903 IonicContact OE2-CZ 3.52Å; E897-R903 IonicContact OE2-NH1 2.87Å; E897-R903 PolarHBondContact OE2-NH1 3.18Å; E897-R903 IonicContact OE2-NH2 3.42Å; E897-V906 HydrophobicContact CB-CG1 4.33Å; E897-Y907 CarbonylContact C-O 3.58Å; E897-Y907 WeakPolarHBondContact CA-O 3.23Å |
| 898 | I | 93.2 | Very high | 83.8 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.6 | 158 | -52.4 | -178.4 | 0 | 0 | 0 | 105.9 | F846 L853 L878 V883 G884 F896 Y907 V909 L924 | F846-I898 HydrophobicContact CD2-CD1 4.45Å; F846-I898 HydrophobicContact CE2-CD1 3.92Å; L853-I898 HydrophobicContact CD2-CD1 3.55Å; L853-I898 HydrophobicContact CD2-CG2 4.26Å; L878-I898 HydrophobicContact CD1-CG2 4.43Å; V883-I898 HydrophobicContact CG1-CG2 3.68Å; G884-I898 WeakPolarHBondContact O-CA 3.45Å; F896-I898 HydrophobicContact CD2-CG1 4.09Å; F896-I898 HydrophobicContact CE2-CD1 3.86Å; F896-I898 HydrophobicContact CE2-CG1 3.66Å; I898-Y907 PolarHBondContact N-O 3.18Å; I898-Y907 WeakPolarHBondContact O-CA 3.37Å; I898-Y907 WeakPolarHBondContact O-CB 3.42Å; I898-Y907 PolarHBondContact O-N 3.21Å; I898-V909 HydrophobicContact CD1-CG2 4.22Å; I898-V909 HydrophobicContact CG1-CG2 4.12Å; I898-L924 HydrophobicContact CD1-CD1 4.01Å; I898-L924 HydrophobicContact CG1-CD1 4.34Å |
| 899 | W | 90.8 | Very high | 84.3 | Confident | 67 Ų | 67 | 54.6 Ų | 54.6 | 25% | 0.254 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 149.1 | 179.8 | 49.2 | -96.9 | 0 | 0 | 0 | 111 | V883 G884 I885 R903 E905 V906 | V883-W899 CarbonylContact C-O 3.56Å; V883-W899 WeakPolarHBondContact CA-O 3.46Å; G884-W899 PolarHBondContact N-O 2.97Å; G884-W899 PolarHBondContact O-N 3.11Å; I885-W899 PolarHBondContact O-NE1 2.79Å; I885-W899 VanDerWaalsContact O-NE1 3.07Å; W899-R903 HydrophobicContact CB-CB 4.41Å; W899-R903 HydrophobicContact CB-CG 3.82Å; W899-R903 HydrophobicContact CD2-CG 3.72Å; W899-R903 HydrophobicContact CE3-CG 3.93Å; W899-R903 HydrophobicContact CG-CG 3.7Å; W899-E905 CarbonylContact C-O 3.46Å; W899-E905 VanDerWaalsContact CA-O 3.29Å; W899-E905 WeakPolarHBondContact CA-O 3.28Å; W899-V906 HydrophobicContact CB-CG2 4.12Å |
| 900 | Y | 88.3 | Confident | 84.7 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 19% | 0.192 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 151.4 | -174.8 | -170.4 | -113.5 | 0 | 0 | 0 | 110.6 | L878 K879 A882 V883 G902 R903 E904 E905 | L878-Y900 HydrophobicContact CB-CD2 4.07Å; L878-Y900 HydrophobicContact CB-CE2 4.24Å; L878-Y900 HydrophobicContact CD2-CD1 4.03Å; L878-Y900 HydrophobicContact CD2-CD2 3.95Å; L878-Y900 HydrophobicContact CD2-CE1 4.5Å; L878-Y900 HydrophobicContact CD2-CE2 4.4Å; L878-Y900 HydrophobicContact CD2-CG 3.74Å; K879-Y900 WeakPolarHBondContact O-CE2 3.23Å; A882-Y900 HydrophobicContact CB-CD2 4.09Å; A882-Y900 HydrophobicContact CB-CE2 3.62Å; A882-Y900 WeakPolarHBondContact O-CA 3.43Å; A882-Y900 VanDerWaalsContact O-CD2 3.29Å; A882-Y900 WeakPolarHBondContact O-CD2 3.44Å; V883-Y900 HydrophobicContact CG2-CD2 3.9Å; V883-Y900 HydrophobicContact CG2-CE2 4.42Å; Y900-G902 PolarHBondContact O-N 2.9Å; Y900-R903 WeakPolarHBondContact O-CA 3.42Å; Y900-R903 PolarHBondContact O-N 3.23Å; Y900-E904 PolarHBondContact O-N 3.45Å; Y900-E904 VanDerWaalsContact O-N 3.11Å; Y900-E905 HydrophobicContact CD1-CG 4.42Å; Y900-E905 WeakPolarHBondContact CD1-OE2 3.46Å; Y900-E905 PolarHBondContact N-O 3.34Å; Y900-E905 PolarHBondContact O-N 3.13Å |
| 901 | S | 82.4 | Confident | 85.7 | Confident | 50 Ų | 50 | 45.2 Ų | 45.2 | 35% | 0.35 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | 45.2 | 61.6 | 174.2 | -165.3 | 0 | 0 | 0 | 0 | 112.6 | A882 R903 E904 | A882-S901 PolarHBondContact O-N 3.41Å; S901-R903 VanDerWaalsContact C-N 3.27Å; S901-R903 PolarHBondContact O-N 2.87Å; S901-E904 WeakPolarHBondContact CB-OE2 3.12Å; S901-E904 WeakPolarHBondContact O-CB 3.3Å; S901-E904 VanDerWaalsContact O-CG 3.24Å; S901-E904 WeakPolarHBondContact O-CG 3.02Å; S901-E904 PolarHBondContact O-N 2.78Å; S901-E904 VanDerWaalsContact O-N 3.08Å; S901-E904 PolarHBondContact OG-OE2 2.73Å |
| 902 | G | 75.1 | Confident | 86.6 | Confident | 70 Ų | 70 | 44.5 Ų | 44.5 | 72% | 0.722 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | 66 | 20.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y900 | Y900-G902 PolarHBondContact O-N 2.9Š|
| 903 | R | 78.5 | Confident | 87.2 | Confident | 95 Ų | 95 | 45.6 Ų | 45.6 | 36% | 0.358 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | 76.4 | 28.5 | -170.7 | -53.3 | 178.5 | 170.6 | -99.4 | -1.4 | 114.6 | T886 E897 W899 Y900 S901 E905 V906 | T886-R903 PolarHBondContact OG1-NH2 3.18Å; E897-R903 IonicContact OE2-CZ 3.52Å; E897-R903 IonicContact OE2-NH1 2.87Å; E897-R903 PolarHBondContact OE2-NH1 3.18Å; E897-R903 IonicContact OE2-NH2 3.42Å; W899-R903 HydrophobicContact CB-CB 4.41Å; W899-R903 HydrophobicContact CB-CG 3.82Å; W899-R903 HydrophobicContact CD2-CG 3.72Å; W899-R903 HydrophobicContact CE3-CG 3.93Å; W899-R903 HydrophobicContact CG-CG 3.7Å; Y900-R903 WeakPolarHBondContact O-CA 3.42Å; Y900-R903 PolarHBondContact O-N 3.23Å; S901-R903 VanDerWaalsContact C-N 3.27Å; S901-R903 PolarHBondContact O-N 2.87Å; R903-E905 VanDerWaalsContact C-N 3.33Å; R903-V906 HydrophobicContact CB-CG2 3.94Å; R903-V906 HydrophobicContact CG-CG2 4.44Å |
| 904 | E | 74.3 | Confident | 87.4 | Confident | 104 Ų | 104 | 43 Ų | 43 | 49% | 0.486 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -35.5 | 164.1 | -74.4 | 176 | 145.1 | 0 | 0 | 111.9 | H826 K827 Y900 S901 | H826-E904 CarbonylContact C-O 3.48Å; H826-E904 WeakPolarHBondContact CA-O 3.31Å; K827-E904 PolarHBondContact N-O 2.86Å; Y900-E904 PolarHBondContact O-N 3.45Å; Y900-E904 VanDerWaalsContact O-N 3.11Å; S901-E904 WeakPolarHBondContact CB-OE2 3.12Å; S901-E904 WeakPolarHBondContact O-CB 3.3Å; S901-E904 VanDerWaalsContact O-CG 3.24Å; S901-E904 WeakPolarHBondContact O-CG 3.02Å; S901-E904 PolarHBondContact O-N 2.78Å; S901-E904 VanDerWaalsContact O-N 3.08Å; S901-E904 PolarHBondContact OG-OE2 2.73Å |
| 905 | E | 79.6 | Confident | 87.5 | Confident | 32 Ų | 32 | 46 Ų | 46 | 15% | 0.15 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.6 | 167.5 | -39.3 | -172.7 | 126.2 | 0 | 0 | 109.5 | H826 H876 L878 W899 Y900 R903 Y907 | H826-E905 IonicContact CE1-OE1 3.11Å; H826-E905 PolarHBondContact CE1-OE1 2.96Å; H826-E905 VanDerWaalsContact CE1-OE1 3.26Å; H826-E905 IonicContact ND1-OE1 2.7Å; H876-E905 IonicContact CD2-OE2 2.72Å; H876-E905 IonicContact CE1-OE1 2.71Å; H876-E905 IonicContact CE1-OE2 2.69Å; H876-E905 IonicContact NE2-OE1 2.66Å; H876-E905 PolarHBondContact NE2-OE1 2.93Å; H876-E905 IonicContact NE2-OE2 3.15Å; H876-E905 PolarHBondContact NE2-OE2 3.27Å; L878-E905 WeakPolarHBondContact CD2-OE2 3.48Å; W899-E905 CarbonylContact C-O 3.46Å; W899-E905 VanDerWaalsContact CA-O 3.29Å; W899-E905 WeakPolarHBondContact CA-O 3.28Å; Y900-E905 HydrophobicContact CD1-CG 4.42Å; Y900-E905 WeakPolarHBondContact CD1-OE2 3.46Å; Y900-E905 PolarHBondContact N-O 3.34Å; Y900-E905 PolarHBondContact O-N 3.13Å; R903-E905 VanDerWaalsContact C-N 3.33Å; E905-Y907 HydrophobicContact CB-CE2 3.74Å; E905-Y907 PolarHBondContact OE2-OH 2.7Å |
| 906 | V | 84.9 | Confident | 87.5 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 11% | 0.109 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 115.6 | 175.9 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | S825 E897 W899 R903 | S825-V906 PolarHBondContact N-O 2.6Å; S825-V906 PolarHBondContact O-N 3.35Å; E897-V906 HydrophobicContact CB-CG1 4.33Å; W899-V906 HydrophobicContact CB-CG2 4.12Å; R903-V906 HydrophobicContact CB-CG2 3.94Å; R903-V906 HydrophobicContact CG-CG2 4.44Å |
| 907 | Y | 87.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 108.6 | 175.6 | -59.6 | -87.5 | 0 | 0 | 0 | 108.7 | V822 W823 I824 L855 H876 L878 E897 I898 E905 | V822-Y907 HydrophobicContact CG1-CD1 4.05Å; W823-Y907 CarbonylContact O-C 3.54Å; W823-Y907 WeakPolarHBondContact O-CA 3.37Å; I824-Y907 HydrophobicContact CB-CD1 4.47Å; I824-Y907 HydrophobicContact CB-CE1 4.37Å; I824-Y907 HydrophobicContact CD1-CD1 4.3Å; I824-Y907 HydrophobicContact CD1-CE1 3.85Å; I824-Y907 HydrophobicContact CG1-CD1 3.83Å; I824-Y907 HydrophobicContact CG1-CE1 3.81Å; I824-Y907 HydrophobicContact CG2-CD1 4.15Å; I824-Y907 HydrophobicContact CG2-CE1 3.72Å; L855-Y907 HydrophobicContact CD2-CD1 3.86Å; L855-Y907 HydrophobicContact CD2-CE1 3.78Å; H876-Y907 AromaticContact CD2-CZ 3.92Å; H876-Y907 PolarHBondContact CD2-OH 3.48Å; H876-Y907 PolarHBondContact NE2-OH 3.22Å; L878-Y907 HydrophobicContact CD1-CD2 3.88Å; L878-Y907 HydrophobicContact CD1-CE2 3.73Å; L878-Y907 HydrophobicContact CD2-CE2 4.01Å; L878-Y907 HydrophobicContact CG-CE2 4.45Å; E897-Y907 CarbonylContact C-O 3.58Å; E897-Y907 WeakPolarHBondContact CA-O 3.23Å; I898-Y907 PolarHBondContact N-O 3.18Å; I898-Y907 WeakPolarHBondContact O-CA 3.37Å; I898-Y907 WeakPolarHBondContact O-CB 3.42Å; I898-Y907 PolarHBondContact O-N 3.21Å; E905-Y907 HydrophobicContact CB-CE2 3.74Å; E905-Y907 PolarHBondContact OE2-OH 2.7Å |
| 908 | V | 89.2 | Confident | 87.6 | Confident | 28 Ų | 28 | 48 Ų | 48 | 17% | 0.17 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 119.2 | 169.1 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | V822 W823 V889 K895 | V822-V908 WeakPolarHBondContact CA-O 3.47Å; W823-V908 HydrophobicContact CB-CB 4.3Å; W823-V908 HydrophobicContact CE3-CB 4.28Å; W823-V908 HydrophobicContact CE3-CG1 4.14Å; W823-V908 PolarHBondContact N-O 3.21Å; W823-V908 PolarHBondContact O-N 3.11Å; V889-V908 HydrophobicContact CG1-CG1 4.42Å; V889-V908 HydrophobicContact CG2-CG1 4.42Å; K895-V908 HydrophobicContact CD-CG1 4.11Å |
| 909 | V | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 121.8 | -171.4 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | F820 F846 K895 F896 I898 | F820-V909 HydrophobicContact CB-CG1 3.76Å; F820-V909 HydrophobicContact CD1-CG1 3.49Å; F820-V909 VanDerWaalsContact CD1-CG1 3.49Å; F820-V909 HydrophobicContact CD2-CG1 4.44Å; F820-V909 HydrophobicContact CE1-CG1 4.21Å; F820-V909 HydrophobicContact CG-CG1 3.63Å; F846-V909 HydrophobicContact CE2-CG1 4.08Å; F846-V909 HydrophobicContact CE2-CG2 3.78Å; F846-V909 HydrophobicContact CZ-CG2 4.04Å; K895-V909 VanDerWaalsContact CA-O 3.29Å; K895-V909 WeakPolarHBondContact CA-O 3.38Å; F896-V909 HydrophobicContact CD1-CB 4.11Å; F896-V909 HydrophobicContact CD1-CG1 4.39Å; F896-V909 WeakPolarHBondContact CD1-O 3.34Å; F896-V909 HydrophobicContact CD2-CB 4.49Å; F896-V909 HydrophobicContact CE1-CB 3.77Å; F896-V909 HydrophobicContact CE1-CG1 3.6Å; F896-V909 HydrophobicContact CE2-CB 4.19Å; F896-V909 HydrophobicContact CE2-CG1 4.44Å; F896-V909 HydrophobicContact CE2-CG2 4.44Å; F896-V909 HydrophobicContact CG-CB 4.47Å; F896-V909 HydrophobicContact CZ-CB 3.83Å; F896-V909 HydrophobicContact CZ-CG1 3.64Å; F896-V909 HydrophobicContact CZ-CG2 4.4Å; F896-V909 PolarHBondContact N-O 3.39Å; F896-V909 PolarHBondContact O-N 2.7Å; I898-V909 HydrophobicContact CD1-CG2 4.22Å; I898-V909 HydrophobicContact CG1-CG2 4.12Å |
| 910 | Q | 91.8 | Very high | 87.6 | Confident | 50 Ų | 50 | 47 Ų | 47 | 23% | 0.234 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117.3 | 172.1 | 179.4 | -175 | 53.2 | 0 | 0 | 109.9 | S821 W823 D892 K895 | S821-Q910 PolarHBondContact N-O 3.33Å; S821-Q910 PolarHBondContact O-N 2.9Å; W823-Q910 HydrophobicContact CH2-CB 4.16Å; W823-Q910 HydrophobicContact CZ3-CB 3.77Å; D892-Q910 PolarHBondContact OD2-NE2 3.47Å; K895-Q910 HydrophobicContact CD-CB 4.45Å; K895-Q910 HydrophobicContact CG-CB 3.75Å; K895-Q910 HydrophobicContact CG-CG 4.1Å |
| 911 | A | 91.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | trans | -76.5 | 154.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F820 K894 T913 V916 K917 | F820-A911 HydrophobicContact CD1-CB 4.42Å; F820-A911 HydrophobicContact CE1-CB 4.04Å; K894-A911 PolarHBondContact O-N 3.14Å; A911-T913 VanDerWaalsContact C-N 3.32Å; A911-T913 VanDerWaalsContact CB-O 3.31Å; A911-T913 WeakPolarHBondContact CB-O 3.15Å; A911-T913 PolarHBondContact O-N 3.4Å; A911-V916 HydrophobicContact CB-CB 4.35Å; A911-V916 HydrophobicContact CB-CG1 4.3Å; A911-K917 HydrophobicContact CB-CB 3.72Å | ||
| 912 | P | 89.9 | Confident | 88.3 | Confident | 75 Ų | 75 | 46.5 Ų | 46.5 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -60.2 | -42.5 | 174.2 | 23.6 | -33.4 | 0 | 0 | 0 | 111.7 | K894 V916 | K894-P912 WeakPolarHBondContact CD-O 3.44Å; K894-P912 PolarHBondContact NZ-O 3.26Å; P912-V916 HydrophobicContact CG-CB 4.23Å; P912-V916 HydrophobicContact CG-CG1 4.17Å; P912-V916 HydrophobicContact CG-CG2 4.15Å |
| 913 | T | 90.4 | Very high | 89 | Confident | 57 Ų | 57 | 44.9 Ų | 44.9 | 35% | 0.35 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -132.5 | 169 | 179 | 84.3 | 0 | 0 | 0 | 0 | 111.5 | A911 E915 V916 K917 | A911-T913 VanDerWaalsContact C-N 3.32Å; A911-T913 VanDerWaalsContact CB-O 3.31Å; A911-T913 WeakPolarHBondContact CB-O 3.15Å; A911-T913 PolarHBondContact O-N 3.4Å; T913-E915 WeakPolarHBondContact CB-OE2 3.42Å; T913-E915 PolarHBondContact OG1-N 2.98Å; T913-E915 PolarHBondContact OG1-OE2 2.75Å; T913-V916 PolarHBondContact OG1-N 2.9Å; T913-K917 PolarHBondContact O-N 3Å |
| 914 | V | 90.4 | Very high | 89.7 | Confident | 53 Ų | 53 | 40.4 Ų | 40.4 | 32% | 0.321 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.1 | -36.6 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | V893 K894 V916 K917 M918 | V893-V914 HydrophobicContact CG2-CG2 4Å; K894-V914 HydrophobicContact CG-CG2 3.88Å; V914-V916 VanDerWaalsContact C-N 3.33Å; V914-V916 PolarHBondContact O-N 3.09Å; V914-K917 WeakPolarHBondContact O-CB 3.48Å; V914-K917 PolarHBondContact O-N 3.25Å; V914-K917 VanDerWaalsContact O-N 3.15Å; V914-M918 HydrophobicContact CG1-CG 4.22Å; V914-M918 WeakPolarHBondContact O-CG 2.89Å; V914-M918 PolarHBondContact O-N 3.04Å |
| 915 | E | 90.9 | Very high | 90.6 | Very high | 132 Ų | 132 | 39.5 Ų | 39.5 | 62% | 0.617 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.2 | -41.8 | -178.6 | -53.6 | 66.2 | -134.2 | 0 | 0 | 110.3 | T913 M918 A919 | T913-E915 WeakPolarHBondContact CB-OE2 3.42Å; T913-E915 PolarHBondContact OG1-N 2.98Å; T913-E915 PolarHBondContact OG1-OE2 2.75Å; E915-M918 PolarHBondContact O-N 2.98Å; E915-A919 WeakPolarHBondContact O-CB 3.15Å; E915-A919 PolarHBondContact O-N 3.23Å |
| 916 | V | 90.9 | Very high | 91 | Very high | 48 Ų | 48 | 43 Ų | 43 | 29% | 0.291 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 174.3 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | F820 A911 P912 T913 V914 A919 W920 | F820-V916 HydrophobicContact CE1-CG1 4.26Å; F820-V916 HydrophobicContact CZ-CG1 4.35Å; A911-V916 HydrophobicContact CB-CB 4.35Å; A911-V916 HydrophobicContact CB-CG1 4.3Å; P912-V916 HydrophobicContact CG-CB 4.23Å; P912-V916 HydrophobicContact CG-CG1 4.17Å; P912-V916 HydrophobicContact CG-CG2 4.15Å; T913-V916 PolarHBondContact OG1-N 2.9Å; V914-V916 VanDerWaalsContact C-N 3.33Å; V914-V916 PolarHBondContact O-N 3.09Å; V916-A919 PolarHBondContact O-N 2.83Å; V916-W920 VanDerWaalsContact O-CD1 3.29Å; V916-W920 PolarHBondContact O-N 3.39Å; V916-W920 VanDerWaalsContact O-N 3.08Å |
| 917 | K | 93.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.4 | -47.6 | 172.4 | 159.3 | 178.3 | 165.4 | 178.2 | 0 | 111.2 | E887 V893 K895 F896 A911 T913 V914 W920 L921 | E887-K917 WeakPolarHBondContact O-CE 3.42Å; E887-K917 PolarHBondContact O-NZ 3.45Å; V893-K917 VanDerWaalsContact O-CD 3.25Å; V893-K917 WeakPolarHBondContact O-CD 3.37Å; V893-K917 WeakPolarHBondContact O-CE 3.44Å; V893-K917 PolarHBondContact O-NZ 3.24Å; K895-K917 WeakPolarHBondContact O-CE 3.48Å; K895-K917 PolarHBondContact O-NZ 3.46Å; F896-K917 HydrophobicContact CB-CD 4.43Å; F896-K917 HydrophobicContact CD1-CB 4.33Å; F896-K917 HydrophobicContact CD1-CD 4.31Å; F896-K917 HydrophobicContact CD1-CG 3.95Å; A911-K917 HydrophobicContact CB-CB 3.72Å; T913-K917 PolarHBondContact O-N 3Å; V914-K917 WeakPolarHBondContact O-CB 3.48Å; V914-K917 PolarHBondContact O-N 3.25Å; V914-K917 VanDerWaalsContact O-N 3.15Å; K917-W920 PolarHBondContact O-N 2.94Å; K917-L921 HydrophobicContact CD-CD1 4.3Å; K917-L921 HydrophobicContact CG-CD1 3.7Å; K917-L921 HydrophobicContact CG-CG 4.36Å; K917-L921 WeakPolarHBondContact O-CB 3.16Å; K917-L921 WeakPolarHBondContact O-CG 3.49Å; K917-L921 PolarHBondContact O-N 3.36Å |
| 918 | M | 93.4 | Very high | 91.2 | Very high | 67 Ų | 67 | 44.2 Ų | 44.2 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.3 | -38.4 | -176.8 | -65.8 | -52.4 | -65.6 | 0 | 0 | 112 | V914 E915 L921 N922 | V914-M918 HydrophobicContact CG1-CG 4.22Å; V914-M918 WeakPolarHBondContact O-CG 2.89Å; V914-M918 PolarHBondContact O-N 3.04Å; E915-M918 PolarHBondContact O-N 2.98Å; M918-L921 PolarHBondContact O-N 3.03Å; M918-L921 HydrophobicContact SD-CD1 4.35Å; M918-N922 WeakPolarHBondContact O-CB 3.43Å; M918-N922 PolarHBondContact O-N 3.13Å; M918-N922 PolarHBondContact O-ND2 3.18Å |
| 919 | A | 90.6 | Very high | 91.1 | Very high | 45 Ų | 45 | 46 Ų | 46 | 37% | 0.372 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60 | -49 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M816 E915 V916 N922 E923 | M816-A919 HydrophobicContact CE-CB 3.81Å; E915-A919 WeakPolarHBondContact O-CB 3.15Å; E915-A919 PolarHBondContact O-N 3.23Å; V916-A919 PolarHBondContact O-N 2.83Å; A919-N922 PolarHBondContact O-N 2.79Å; A919-E923 PolarHBondContact O-N 2.81Å |
| 920 | W | 94.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 177.5 | -87.6 | 73.9 | 0 | 0 | 0 | 113.1 | M816 F820 F846 L848 L853 F896 V916 K917 E923 L924 | M816-W920 HydrophobicContact CB-CD2 4.44Å; M816-W920 HydrophobicContact CB-CH2 4.1Å; M816-W920 HydrophobicContact CB-CZ2 3.55Å; M816-W920 HydrophobicContact CE-CG 4.08Å; M816-W920 HydrophobicContact SD-CB 4.43Å; M816-W920 HydrophobicContact SD-CD2 4.07Å; M816-W920 HydrophobicContact SD-CG 3.89Å; F820-W920 HydrophobicContact CE2-CD2 4.17Å; F820-W920 AromaticContact CE2-CE2 3.75Å; F820-W920 HydrophobicContact CE2-CH2 4.13Å; F820-W920 AromaticContact CE2-CZ2 3.74Å; F820-W920 HydrophobicContact CE2-CZ2 3.74Å; F820-W920 HydrophobicContact CE2-CZ3 4.48Å; F820-W920 AromaticContact CZ-CD1 3.88Å; F820-W920 AromaticContact CZ-CD2 3.8Å; F820-W920 HydrophobicContact CZ-CD2 3.8Å; F820-W920 AromaticContact CZ-CE2 3.56Å; F820-W920 HydrophobicContact CZ-CE3 4.46Å; F820-W920 HydrophobicContact CZ-CG 4.03Å; F820-W920 HydrophobicContact CZ-CZ2 4.05Å; F820-W920 AromaticContact CZ-NE1 3.58Å; F846-W920 HydrophobicContact CB-CH2 3.55Å; F846-W920 HydrophobicContact CB-CZ2 4.38Å; F846-W920 HydrophobicContact CB-CZ3 3.96Å; F846-W920 HydrophobicContact CD2-CH2 4.48Å; F846-W920 HydrophobicContact CD2-CZ3 4.08Å; L848-W920 HydrophobicContact CB-CH2 3.91Å; L848-W920 HydrophobicContact CB-CZ3 3.82Å; L848-W920 HydrophobicContact CD2-CE3 4.42Å; L848-W920 HydrophobicContact CD2-CZ3 4.33Å; L853-W920 HydrophobicContact CD1-CH2 4.47Å; L853-W920 HydrophobicContact CD1-CZ3 4Å; F896-W920 HydrophobicContact CZ-CB 4.24Å; V916-W920 VanDerWaalsContact O-CD1 3.29Å; V916-W920 PolarHBondContact O-N 3.39Å; V916-W920 VanDerWaalsContact O-N 3.08Å; K917-W920 PolarHBondContact O-N 2.94Å; W920-E923 PolarHBondContact O-N 2.89Å; W920-L924 WeakPolarHBondContact O-CB 3.4Å; W920-L924 WeakPolarHBondContact O-CD1 3.42Å; W920-L924 VanDerWaalsContact O-CG 3.24Å; W920-L924 WeakPolarHBondContact O-CG 3.29Å; W920-L924 PolarHBondContact O-N 3.07Å |
| 921 | L | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 176.3 | -76.1 | 171.3 | 0 | 0 | 0 | 112.5 | I885 E887 F896 K917 M918 R925 | I885-L921 HydrophobicContact CB-CD2 4.47Å; I885-L921 HydrophobicContact CD1-CD2 4.08Å; E887-L921 HydrophobicContact CB-CD1 4.11Å; E887-L921 HydrophobicContact CG-CD1 3.73Å; F896-L921 HydrophobicContact CB-CD1 4.28Å; F896-L921 HydrophobicContact CB-CD2 4.09Å; F896-L921 HydrophobicContact CB-CG 4.43Å; F896-L921 HydrophobicContact CD2-CD2 3.76Å; F896-L921 HydrophobicContact CD2-CG 4.28Å; F896-L921 HydrophobicContact CE2-CD2 4.43Å; F896-L921 HydrophobicContact CG-CD2 4.11Å; F896-L921 HydrophobicContact CG-CG 4.33Å; K917-L921 HydrophobicContact CD-CD1 4.3Å; K917-L921 HydrophobicContact CG-CD1 3.7Å; K917-L921 HydrophobicContact CG-CG 4.36Å; K917-L921 WeakPolarHBondContact O-CB 3.16Å; K917-L921 WeakPolarHBondContact O-CG 3.49Å; K917-L921 PolarHBondContact O-N 3.36Å; M918-L921 PolarHBondContact O-N 3.03Å; M918-L921 HydrophobicContact SD-CD1 4.35Å; L921-R925 VanDerWaalsContact O-CB 3.32Å; L921-R925 WeakPolarHBondContact O-CB 3.49Å; L921-R925 WeakPolarHBondContact O-CD 3.45Å; L921-R925 WeakPolarHBondContact O-CG 3.25Å; L921-R925 PolarHBondContact O-N 3.08Å |
| 922 | N | 92.2 | Very high | 89.5 | Confident | 88 Ų | 88 | 54.8 Ų | 54.8 | 47% | 0.471 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 178.3 | -70.9 | -13.3 | 0 | 0 | 0 | 111.9 | M918 A919 R925 R926 | M918-N922 WeakPolarHBondContact O-CB 3.43Å; M918-N922 PolarHBondContact O-N 3.13Å; M918-N922 PolarHBondContact O-ND2 3.18Å; A919-N922 PolarHBondContact O-N 2.79Å; N922-R925 WeakPolarHBondContact O-CB 3Å; N922-R925 PolarHBondContact O-N 3.32Å; N922-R925 PolarHBondContact OD1-NH1 2.86Å; N922-R926 PolarHBondContact O-N 3.48Å |
| 923 | E | 90.5 | Very high | 89 | Confident | 36 Ų | 36 | 56.6 Ų | 56.6 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.9 | -41 | 177.5 | -170.3 | 55.4 | -159.9 | 0 | 0 | 112.5 | L815 M816 L848 A919 W920 R925 R926 I927 | L815-E923 HydrophobicContact CB-CG 4.16Å; L815-E923 WeakPolarHBondContact CD1-OE1 3.26Å; M816-E923 HydrophobicContact CG-CB 4.42Å; M816-E923 HydrophobicContact CG-CG 4.13Å; M816-E923 HydrophobicContact SD-CB 3.71Å; M816-E923 HydrophobicContact SD-CG 4.08Å; L848-E923 HydrophobicContact CD2-CB 4.32Å; L848-E923 HydrophobicContact CD2-CG 3.91Å; A919-E923 PolarHBondContact O-N 2.81Å; W920-E923 PolarHBondContact O-N 2.89Å; E923-R925 VanDerWaalsContact C-N 3.31Å; E923-R925 PolarHBondContact O-N 2.89Å; E923-R926 VanDerWaalsContact CD-NE 3.26Å; E923-R926 WeakPolarHBondContact O-CB 3.22Å; E923-R926 PolarHBondContact O-N 3.47Å; E923-R926 VanDerWaalsContact O-N 3.09Å; E923-R926 IonicContact OE1-CZ 3.39Å; E923-R926 IonicContact OE1-NE 3.79Å; E923-R926 PolarHBondContact OE1-NE 3.35Å; E923-R926 IonicContact OE1-NH2 3.88Å; E923-R926 PolarHBondContact OE1-NH2 3.14Å; E923-R926 WeakPolarHBondContact OE2-CD 3.37Å; E923-R926 IonicContact OE2-CZ 2.7Å; E923-R926 IonicContact OE2-NE 2.72Å; E923-R926 PolarHBondContact OE2-NE 3Å; E923-I927 WeakPolarHBondContact O-CG1 3.46Å; E923-I927 PolarHBondContact O-N 3.3Å |
| 924 | L | 92.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59 | -42.3 | 170.7 | -71.5 | 166.3 | 0 | 0 | 0 | 111.4 | L848 M880 I885 F896 I898 W920 R926 I927 L928 | L848-L924 HydrophobicContact CD1-CD2 3.67Å; L848-L924 HydrophobicContact CD2-CD2 3.87Å; L848-L924 HydrophobicContact CD2-CG 4.06Å; L848-L924 HydrophobicContact CG-CD2 4.44Å; M880-L924 HydrophobicContact CE-CD2 3.76Å; M880-L924 HydrophobicContact SD-CD2 4.31Å; I885-L924 HydrophobicContact CD1-CB 4.44Å; I885-L924 HydrophobicContact CG2-CB 4.22Å; I885-L924 HydrophobicContact CG2-CD1 3.98Å; F896-L924 HydrophobicContact CE2-CD1 4.11Å; I898-L924 HydrophobicContact CD1-CD1 4.01Å; I898-L924 HydrophobicContact CG1-CD1 4.34Å; W920-L924 WeakPolarHBondContact O-CB 3.4Å; W920-L924 WeakPolarHBondContact O-CD1 3.42Å; W920-L924 VanDerWaalsContact O-CG 3.24Å; W920-L924 WeakPolarHBondContact O-CG 3.29Å; W920-L924 PolarHBondContact O-N 3.07Å; L924-R926 PolarHBondContact O-N 3.21Å; L924-I927 PolarHBondContact O-N 2.81Å; L924-L928 WeakPolarHBondContact O-CB 3.38Å; L924-L928 VanDerWaalsContact O-CG 3.27Å; L924-L928 WeakPolarHBondContact O-CG 3.35Å; L924-L928 PolarHBondContact O-N 3.34Å |
| 925 | R | 92.3 | Very high | 87.2 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 32% | 0.321 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 171.3 | -77.5 | 163.9 | 166.7 | 142.4 | -0.1 | 112.1 | I885 E887 L921 N922 E923 L928 T929 | I885-R925 HydrophobicContact CD1-CG 3.94Å; E887-R925 IonicContact OE1-CZ 3.9Å; E887-R925 VanDerWaalsContact OE1-CZ 3.24Å; E887-R925 IonicContact OE1-NH1 3.47Å; E887-R925 PolarHBondContact OE1-NH1 3.38Å; E887-R925 IonicContact OE1-NH2 2.73Å; E887-R925 PolarHBondContact OE1-NH2 2.85Å; E887-R925 IonicContact OE2-CZ 3.16Å; E887-R925 IonicContact OE2-NH2 2.72Å; E887-R925 PolarHBondContact OE2-NH2 3.18Å; L921-R925 VanDerWaalsContact O-CB 3.32Å; L921-R925 WeakPolarHBondContact O-CB 3.49Å; L921-R925 WeakPolarHBondContact O-CD 3.45Å; L921-R925 WeakPolarHBondContact O-CG 3.25Å; L921-R925 PolarHBondContact O-N 3.08Å; N922-R925 WeakPolarHBondContact O-CB 3Å; N922-R925 PolarHBondContact O-N 3.32Å; N922-R925 PolarHBondContact OD1-NH1 2.86Å; E923-R925 VanDerWaalsContact C-N 3.31Å; E923-R925 PolarHBondContact O-N 2.89Å; R925-L928 PolarHBondContact O-N 3.34Å; R925-T929 VanDerWaalsContact O-CB 3.25Å; R925-T929 WeakPolarHBondContact O-CB 3.42Å; R925-T929 PolarHBondContact O-N 2.86Å; R925-T929 PolarHBondContact O-OG1 2.78Å |
| 926 | R | 89.8 | Confident | 86.3 | Confident | 105 Ų | 105 | 62.9 Ų | 62.9 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 179.9 | -166.6 | -174.7 | 73 | 85.6 | 5.8 | 111.3 | N922 E923 L924 N930 | N922-R926 PolarHBondContact O-N 3.48Å; E923-R926 VanDerWaalsContact CD-NE 3.26Å; E923-R926 WeakPolarHBondContact O-CB 3.22Å; E923-R926 PolarHBondContact O-N 3.47Å; E923-R926 VanDerWaalsContact O-N 3.09Å; E923-R926 IonicContact OE1-CZ 3.39Å; E923-R926 IonicContact OE1-NE 3.79Å; E923-R926 PolarHBondContact OE1-NE 3.35Å; E923-R926 IonicContact OE1-NH2 3.88Å; E923-R926 PolarHBondContact OE1-NH2 3.14Å; E923-R926 WeakPolarHBondContact OE2-CD 3.37Å; E923-R926 IonicContact OE2-CZ 2.7Å; E923-R926 IonicContact OE2-NE 2.72Å; E923-R926 PolarHBondContact OE2-NE 3Å; L924-R926 PolarHBondContact O-N 3.21Å; R926-N930 WeakPolarHBondContact O-CB 3.48Å; R926-N930 VanDerWaalsContact O-CG 3.25Å; R926-N930 PolarHBondContact O-N 3.05Å; R926-N930 PolarHBondContact O-ND2 2.87Å |
| 927 | I | 88.8 | Confident | 85 | Confident | 8 Ų | 8 | 64.8 Ų | 64.8 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -52.6 | 178.4 | -60.2 | 161.2 | 0 | 0 | 0 | 110.5 | L815 L848 M880 E923 L924 T929 N930 Q931 | L815-I927 HydrophobicContact CD1-CD1 3.56Å; L815-I927 HydrophobicContact CD1-CG1 3.83Å; L848-I927 HydrophobicContact CD1-CD1 3.66Å; L848-I927 HydrophobicContact CD2-CD1 3.8Å; L848-I927 HydrophobicContact CG-CD1 3.75Å; M880-I927 HydrophobicContact CB-CG2 4.16Å; M880-I927 HydrophobicContact CE-CB 4.21Å; M880-I927 HydrophobicContact CE-CD1 4.31Å; M880-I927 HydrophobicContact CE-CG2 3.88Å; M880-I927 HydrophobicContact CG-CG2 4.16Å; E923-I927 WeakPolarHBondContact O-CG1 3.46Å; E923-I927 PolarHBondContact O-N 3.3Å; L924-I927 PolarHBondContact O-N 2.81Å; I927-T929 VanDerWaalsContact C-N 3.33Å; I927-T929 PolarHBondContact O-N 3.13Å; I927-N930 PolarHBondContact O-N 3.17Å; I927-N930 VanDerWaalsContact O-N 3.15Å; I927-Q931 PolarHBondContact O-N 2.96Å |
| 928 | L | 87.4 | Confident | 83.3 | Confident | 42 Ų | 42 | 70.2 Ų | 70.2 | 22% | 0.22 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.6 | -38.7 | -177.8 | -66.7 | 171.4 | 0 | 0 | 0 | 112.2 | M880 V883 I885 L924 R925 Q931 Q932 | M880-L928 HydrophobicContact CE-CD2 4.1Å; M880-L928 HydrophobicContact CE-CG 4.22Å; V883-L928 VanDerWaalsContact O-CD2 3.29Å; V883-L928 WeakPolarHBondContact O-CD2 3.24Å; I885-L928 HydrophobicContact CG1-CD1 4.45Å; L924-L928 WeakPolarHBondContact O-CB 3.38Å; L924-L928 VanDerWaalsContact O-CG 3.27Å; L924-L928 WeakPolarHBondContact O-CG 3.35Å; L924-L928 PolarHBondContact O-N 3.34Å; R925-L928 PolarHBondContact O-N 3.34Å; L928-Q931 PolarHBondContact O-N 2.91Å; L928-Q932 WeakPolarHBondContact O-CB 3.5Å; L928-Q932 PolarHBondContact O-N 3.28Å |
| 929 | T | 87.1 | Confident | 81.4 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 175.4 | -56 | 0 | 0 | 0 | 0 | 111.7 | R925 I927 Q932 K933 | R925-T929 VanDerWaalsContact O-CB 3.25Å; R925-T929 WeakPolarHBondContact O-CB 3.42Å; R925-T929 PolarHBondContact O-N 2.86Å; R925-T929 PolarHBondContact O-OG1 2.78Å; I927-T929 VanDerWaalsContact C-N 3.33Å; I927-T929 PolarHBondContact O-N 3.13Å; T929-Q932 PolarHBondContact O-N 2.72Å; T929-K933 WeakPolarHBondContact O-CG 3.33Å; T929-K933 PolarHBondContact O-N 3.23Å; T929-K933 VanDerWaalsContact O-N 3.08Å |
| 930 | N | 83.7 | Confident | 79.6 | Confident | 61 Ų | 61 | 75.7 Ų | 75.7 | 33% | 0.326 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.5 | -37.7 | 178.5 | -72.3 | -15.3 | 0 | 0 | 0 | 112 | R926 I927 K933 L934 | R926-N930 WeakPolarHBondContact O-CB 3.48Å; R926-N930 VanDerWaalsContact O-CG 3.25Å; R926-N930 PolarHBondContact O-N 3.05Å; R926-N930 PolarHBondContact O-ND2 2.87Å; I927-N930 PolarHBondContact O-N 3.17Å; I927-N930 VanDerWaalsContact O-N 3.15Å; N930-K933 PolarHBondContact O-N 2.82Å; N930-L934 WeakPolarHBondContact O-CG 3.42Å; N930-L934 PolarHBondContact O-N 3.19Å |
| 931 | Q | 79.6 | Confident | 77.4 | Confident | 33 Ų | 33 | 83.4 Ų | 83.4 | 15% | 0.154 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 171.9 | -68.5 | -175 | 10.8 | 0 | 0 | 111.8 | M880 I927 L928 K933 L934 L935 | M880-Q931 VanDerWaalsContact CB-NE2 3.35Å; I927-Q931 PolarHBondContact O-N 2.96Å; L928-Q931 PolarHBondContact O-N 2.91Å; Q931-K933 VanDerWaalsContact C-N 3.29Å; Q931-K933 PolarHBondContact O-N 2.89Å; Q931-L934 PolarHBondContact O-N 2.87Å; Q931-L935 WeakPolarHBondContact O-CG 3.44Å; Q931-L935 PolarHBondContact O-N 3.39Å |
| 932 | Q | 77.4 | Confident | 75.2 | Confident | 142 Ų | 142 | 91.3 Ų | 91.3 | 66% | 0.664 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.9 | -32.5 | 175.1 | -166.9 | -179.9 | 24.7 | 0 | 0 | 112.8 | L928 T929 R936 | L928-Q932 WeakPolarHBondContact O-CB 3.5Å; L928-Q932 PolarHBondContact O-N 3.28Å; T929-Q932 PolarHBondContact O-N 2.72Å; Q932-R936 WeakPolarHBondContact O-CB 3.47Å; Q932-R936 PolarHBondContact O-N 2.83Å |
| 933 | K | 79.5 | Confident | 72.3 | Confident | 113 Ų | 113 | 90.1 Ų | 90.1 | 49% | 0.491 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.6 | -51.7 | 171.9 | -71.9 | 170.7 | -177.8 | 171.7 | 0 | 111.6 | T929 N930 Q931 L935 R936 D937 | T929-K933 WeakPolarHBondContact O-CG 3.33Å; T929-K933 PolarHBondContact O-N 3.23Å; T929-K933 VanDerWaalsContact O-N 3.08Å; N930-K933 PolarHBondContact O-N 2.82Å; Q931-K933 VanDerWaalsContact C-N 3.29Å; Q931-K933 PolarHBondContact O-N 2.89Å; K933-L935 VanDerWaalsContact C-N 3.34Å; K933-L935 PolarHBondContact O-N 3.01Å; K933-R936 CarbonylContact O-C 3.58Å; K933-R936 WeakPolarHBondContact O-CA 3.41Å; K933-R936 WeakPolarHBondContact O-CB 3.49Å; K933-R936 PolarHBondContact O-N 3.08Å; K933-D937 PolarHBondContact O-N 3.17Å |
| 934 | L | 75.1 | Confident | 70.3 | Confident | 105 Ų | 105 | 94.5 Ų | 94.5 | 55% | 0.55 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -54.1 | -48.9 | 179.3 | -73.4 | 163.1 | 0 | 0 | 0 | 111.8 | N930 Q931 R936 D937 E938 | N930-L934 WeakPolarHBondContact O-CG 3.42Å; N930-L934 PolarHBondContact O-N 3.19Å; Q931-L934 PolarHBondContact O-N 2.87Å; L934-R936 PolarHBondContact O-N 3.32Å; L934-D937 PolarHBondContact O-N 3.03Å; L934-D937 VanDerWaalsContact O-N 3.15Å; L934-E938 WeakPolarHBondContact O-CB 3.39Å; L934-E938 WeakPolarHBondContact O-CG 3.43Å; L934-E938 PolarHBondContact O-N 3.29Å |
| 935 | L | 69.4 | Low | 67.4 | Low | 114 Ų | 114 | 101.8 Ų | 101.8 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.8 | -26.4 | 176.2 | -69.1 | 169.1 | 0 | 0 | 0 | 113.3 | Q931 K933 A939 | Q931-L935 WeakPolarHBondContact O-CG 3.44Å; Q931-L935 PolarHBondContact O-N 3.39Å; K933-L935 VanDerWaalsContact C-N 3.34Å; K933-L935 PolarHBondContact O-N 3.01Å; L935-A939 VanDerWaalsContact O-CB 3.3Å; L935-A939 WeakPolarHBondContact O-CB 3.25Å; L935-A939 PolarHBondContact O-N 3.46Å |
| 936 | R | 70.9 | Confident | 64.7 | Low | 154 Ų | 154 | 101.8 Ų | 101.8 | 58% | 0.581 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.7 | -45.1 | 173.7 | -135.2 | -178.6 | -169 | -122 | 2.9 | 111.1 | Q932 K933 L934 A939 Y940 | Q932-R936 WeakPolarHBondContact O-CB 3.47Å; Q932-R936 PolarHBondContact O-N 2.83Å; K933-R936 CarbonylContact O-C 3.58Å; K933-R936 WeakPolarHBondContact O-CA 3.41Å; K933-R936 WeakPolarHBondContact O-CB 3.49Å; K933-R936 PolarHBondContact O-N 3.08Å; L934-R936 PolarHBondContact O-N 3.32Å; R936-A939 CarbonylContact O-C 3.47Å; R936-A939 PolarHBondContact O-N 2.88Å; R936-Y940 HydrophobicContact CB-CE2 4.42Å; R936-Y940 HydrophobicContact CG-CD2 4.46Å; R936-Y940 HydrophobicContact CG-CE2 3.83Å; R936-Y940 PolarHBondContact NH1-OH 3.12Å; R936-Y940 WeakPolarHBondContact O-CD2 3.47Å; R936-Y940 PolarHBondContact O-N 2.75Å |
| 937 | D | 64.6 | Low | 62 | Low | 89 Ų | 89 | 105 Ų | 105 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.6 | -35.4 | -175.8 | -61.4 | -26.9 | 0 | 0 | 0 | 111 | K933 L934 Y940 Q941 | K933-D937 PolarHBondContact O-N 3.17Å; L934-D937 PolarHBondContact O-N 3.03Å; L934-D937 VanDerWaalsContact O-N 3.15Å; D937-Y940 PolarHBondContact O-N 3.12Å; D937-Q941 PolarHBondContact O-N 3.47Å |
| 938 | E | 57.2 | Low | 59.2 | Low | 118 Ų | 118 | 112.2 Ų | 112.2 | 55% | 0.551 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.4 | -44.8 | 166.8 | -71.8 | 174.6 | 167.2 | 0 | 0 | 111.8 | L934 Y940 Q941 H942 | L934-E938 WeakPolarHBondContact O-CB 3.39Å; L934-E938 WeakPolarHBondContact O-CG 3.43Å; L934-E938 PolarHBondContact O-N 3.29Å; E938-Y940 PolarHBondContact O-N 3.49Å; E938-Q941 PolarHBondContact O-N 2.87Å; E938-Q941 VanDerWaalsContact O-N 3.09Å; E938-H942 PolarHBondContact O-N 3.05Å |
| 939 | A | 53.8 | Low | 56.3 | Low | 70 Ų | 70 | 118.3 Ų | 118.3 | 58% | 0.579 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.4 | -20.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L935 R936 | L935-A939 VanDerWaalsContact O-CB 3.3Å; L935-A939 WeakPolarHBondContact O-CB 3.25Å; L935-A939 PolarHBondContact O-N 3.46Å; R936-A939 CarbonylContact O-C 3.47Å; R936-A939 PolarHBondContact O-N 2.88Å |
| 940 | Y | 53.6 | Low | 53.6 | Low | 157 Ų | 157 | 123.1 Ų | 123.1 | 62% | 0.616 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -83.6 | -19.5 | 170.7 | -74.1 | -56.9 | 0 | 0 | 0 | 113.5 | R936 D937 E938 | R936-Y940 HydrophobicContact CB-CE2 4.42Å; R936-Y940 HydrophobicContact CG-CD2 4.46Å; R936-Y940 HydrophobicContact CG-CE2 3.83Å; R936-Y940 PolarHBondContact NH1-OH 3.12Å; R936-Y940 WeakPolarHBondContact O-CD2 3.47Å; R936-Y940 PolarHBondContact O-N 2.75Å; D937-Y940 PolarHBondContact O-N 3.12Å; E938-Y940 PolarHBondContact O-N 3.49Å |
| 941 | Q | 48.1 | Very low | 50.8 | Low | 165 Ų | 165 | 127.9 Ų | 127.9 | 77% | 0.771 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -83.9 | -30.6 | 173.8 | -68.4 | -172.8 | 24.8 | 0 | 0 | 112.7 | D937 E938 G943 | D937-Q941 PolarHBondContact O-N 3.47Å; E938-Q941 PolarHBondContact O-N 2.87Å; E938-Q941 VanDerWaalsContact O-N 3.09Å; Q941-G943 PolarHBondContact O-N 2.96Å |
| 942 | H | 45.3 | Very low | 48.2 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -95.8 | 80.9 | 175.1 | -78.1 | -68.5 | 0 | 0 | 0 | 112.9 | E938 | E938-H942 PolarHBondContact O-N 3.05Š|
| 943 | G | 32.6 | Very low | 46.2 | Very low | 63 Ų | 63 | 131.2 Ų | 131.2 | 65% | 0.649 | 70% | 0.702 | S | S | * | * | trans | -64.3 | 163.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q941 | Q941-G943 PolarHBondContact O-N 2.96Š| ||
| 944 | P | 48.1 | Very low | 43.5 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 83% | 0.831 | 71% | 0.714 | S | S | * | * | trans | -99.2 | 156.3 | -150.3 | 37.1 | -37.2 | 0 | 0 | 0 | 116.4 | ||||
| 945 | V | 31.2 | Very low | 41.3 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 92% | 0.921 | 73% | 0.732 | S | S | * | * | trans | -127.3 | 140.8 | 152.6 | -178.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 946 | A | 34.9 | Very low | 39.3 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | trans | -113 | 156.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 947 | E | 33 | Very low | 37.3 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | 176.7 | 151.8 | 106.6 | -95.5 | -176.9 | -179.9 | 0 | 0 | 112.9 | |||||
| 948 | H | 31.3 | Very low | 35.4 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | 37.8 | 132.2 | 161.2 | -72 | -95.8 | 0 | 0 | 0 | 120.4 | ||||
| 949 | M | 26.8 | Very low | 34.1 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 84% | 0.837 | 79% | 0.789 | S | S | * | * | cis | -159.5 | 168.1 | 38 | -163.2 | 128.5 | 155 | 0 | 0 | 113 | ||||
| 950 | Q | 29.1 | Very low | 32.8 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -76.5 | 157.5 | -164.6 | -56.8 | 158.3 | -40 | 0 | 0 | 116.3 | ||||
| 951 | L | 26.3 | Very low | 31.6 | Very low | 162 Ų | 162 | 150.4 Ų | 150.4 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | -178.2 | 146.6 | 112.4 | -98.8 | 166.3 | 0 | 0 | 0 | 116.4 | |||||
| 952 | S | 24.1 | Very low | 30.5 | Very low | 114 Ų | 114 | 154.4 Ų | 154.4 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | 77 | 153.2 | 162.7 | 76.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 953 | P | 34.6 | Very low | 29.5 | Very low | 130 Ų | 130 | 151 Ų | 151 | 84% | 0.844 | 83% | 0.829 | S | S | * | * | trans | -112.4 | 167.8 | -154.1 | 41.7 | -33.7 | 0 | 0 | 0 | 117 | ||||
| 954 | S | 23.9 | Very low | 29.2 | Very low | 105 Ų | 105 | 153.4 Ų | 153.4 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | trans | -84.6 | 145.4 | -177.4 | 54.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 955 | L | 28.2 | Very low | 28.1 | Very low | 181 Ų | 181 | 153.8 Ų | 153.8 | 95% | 0.948 | 84% | 0.835 | S | S | * | * | trans | -93.3 | 136.1 | 162.1 | -75.9 | 166 | 0 | 0 | 0 | 110.8 | ||||
| 956 | T | 28 | Very low | 27.8 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 77% | 0.767 | 83% | 0.825 | S | S | * | * | trans | -113 | 129.5 | 177.5 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 957 | E | 27.9 | Very low | 27.4 | Very low | 190 Ų | 190 | 152.9 Ų | 152.9 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -68 | 155.2 | 168.5 | -63.2 | -172.7 | 123.2 | 0 | 0 | 111.9 | ||||
| 958 | S | 25.4 | Very low | 27.2 | Very low | 121 Ų | 121 | 152.9 Ų | 152.9 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | trans | -150.7 | 135.7 | 157.8 | -81.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 959 | K | 29.3 | Very low | 27 | Very low | 204 Ų | 204 | 152.1 Ų | 152.1 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | trans | -80.5 | 152 | -176 | -61.2 | 168.8 | -178.2 | 172.5 | 0 | 110.6 | ||||
| 960 | Q | 27.6 | Very low | 27 | Very low | 197 Ų | 197 | 151 Ų | 151 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -120.2 | 143.5 | 159.7 | -76.5 | -171.7 | -26.7 | 0 | 0 | 110.6 | ||||
| 961 | Q | 27.1 | Very low | 26.9 | Very low | 201 Ų | 201 | 151.6 Ų | 151.6 | 94% | 0.939 | 84% | 0.838 | S | S | * | * | trans | -93.3 | 163 | -179.8 | -73.6 | 175.2 | -85.5 | 0 | 0 | 111.8 | ||||
| 962 | R | 26.7 | Very low | 26.9 | Very low | 249 Ų | 249 | 149.9 Ų | 149.9 | 94% | 0.94 | 84% | 0.84 | S | S | * | * | trans | -91.4 | 140.5 | -175.5 | -176.5 | -174.8 | -169.1 | 175.1 | 4 | 111.2 | ||||
| 963 | A | 23.7 | Very low | 27 | Very low | 95 Ų | 95 | 147.6 Ų | 147.6 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | trans | -134.6 | 151.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 964 | S | 25.1 | Very low | 26.6 | Very low | 114 Ų | 114 | 153.4 Ų | 153.4 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | trans | -82.5 | 176.2 | 175.7 | 41.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 965 | V | 25.6 | Very low | 26.7 | Very low | 135 Ų | 135 | 153 Ų | 153 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | cis | -154.5 | 165.9 | 47.1 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 966 | S | 24.8 | Very low | 26.6 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 71% | 0.706 | 83% | 0.83 | S | S | * | * | trans | -64.6 | 153.2 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 967 | S | 27.3 | Very low | 27.4 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -167.6 | 154 | 134.3 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 968 | E | 27.9 | Very low | 27.4 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 81% | 0.808 | 82% | 0.824 | S | S | * | * | trans | -102.8 | 167.7 | -177.8 | -66.8 | 164.8 | 123.6 | 0 | 0 | 113.5 | ||||
| 969 | D | 27.5 | Very low | 28.2 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 78% | 0.775 | 82% | 0.822 | S | S | * | * | trans | 33.7 | 132.2 | 156.8 | -62.4 | -11.8 | 0 | 0 | 0 | 123.2 | ||||
| 970 | T | 28 | Very low | 28 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | -177.6 | 174.5 | 109.9 | 26.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 971 | E | 25.6 | Very low | 27.8 | Very low | 179 Ų | 179 | 141 Ų | 141 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -89.1 | 170.4 | -156.3 | -52.2 | 173.3 | 93.6 | 0 | 0 | 118.4 | ||||
| 972 | S | 26.5 | Very low | 27.6 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | trans | 78.2 | 152.4 | 149.8 | 80.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 973 | G | 25.9 | Very low | 27.6 | Very low | 65 Ų | 65 | 133.5 Ų | 133.5 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | cis | 158.2 | 144.5 | -16.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 974 | R | 27.3 | Very low | 28.3 | Very low | 252 Ų | 252 | 134.4 Ų | 134.4 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | trans | 69.6 | 154.8 | 163.3 | -61.8 | -179 | -175.2 | -133 | 0 | 116.7 | ||||
| 975 | S | 24.6 | Very low | 28.4 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | cis | -171.5 | 138.9 | -13.7 | 46.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 976 | S | 26.7 | Very low | 28.3 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 54.2 | 170.6 | 138.7 | -52.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 977 | P | 45.8 | Very low | 28.3 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | cis | -134.2 | 176.5 | 2.5 | 42.7 | -24.7 | 0 | 0 | 0 | 118.6 | ||||
| 978 | E | 27 | Very low | 28.7 | Very low | 164 Ų | 164 | 142 Ų | 142 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -18.5 | 168.2 | 155 | -76.4 | -169.9 | 137.8 | 0 | 0 | 121.7 | ||||
| 979 | P | 42.3 | Very low | 28.6 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | cis | -146 | -166.9 | 34.4 | 44.5 | -22.8 | 0 | 0 | 0 | 119.8 | ||||
| 980 | Q | 24 | Very low | 28.4 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -73.1 | 179.2 | -178 | -40.9 | 166.6 | -1.8 | 0 | 0 | 112.4 | ||||
| 981 | S | 24.7 | Very low | 28.3 | Very low | 80 Ų | 80 | 149.8 Ų | 149.8 | 56% | 0.559 | 79% | 0.786 | S | S | * | * | cis | -167.5 | 176.8 | 17.3 | 49.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 982 | H | 23.7 | Very low | 28.2 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | 77.6 | 140.4 | 157.1 | -56.1 | -54.3 | 0 | 0 | 0 | 123.6 | ||||
| 983 | S | 25.7 | Very low | 27.9 | Very low | 106 Ų | 106 | 150.4 Ų | 150.4 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -104.6 | 159.1 | 167.6 | 63 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 984 | P | 39.3 | Very low | 28.8 | Very low | 114 Ų | 114 | 153.3 Ų | 153.3 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | -164.3 | 163.2 | 88.1 | 41.7 | -20.5 | 0 | 0 | 0 | 121 | |||||
| 985 | K | 25.5 | Very low | 28.7 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | 66.7 | 122.3 | 138.5 | -75.8 | 177.6 | 172.9 | -179 | 0 | 126.2 | ||||
| 986 | H | 25 | Very low | 28.8 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | trans | 70.3 | 116.6 | 132.3 | -70.1 | -61.4 | 0 | 0 | 0 | 126.5 | ||||
| 987 | Q | 24.1 | Very low | 28.9 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | 61.3 | 165.8 | 131.6 | -87.8 | -173.6 | 0.3 | 0 | 0 | 121 | ||||
| 988 | P | 36.2 | Very low | 28 | Very low | 122 Ų | 122 | 149 Ų | 149 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | cis | -138.6 | -168.8 | 23.3 | 44.1 | -23.8 | 0 | 0 | 0 | 118.6 | ||||
| 989 | N | 25.2 | Very low | 28 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | -84.2 | 163 | -176.3 | -76.9 | -42.1 | 0 | 0 | 0 | 116.9 | ||||
| 990 | R | 23.4 | Very low | 27.3 | Very low | 253 Ų | 253 | 146.3 Ų | 146.3 | 96% | 0.955 | 77% | 0.771 | S | S | * | * | trans | -159.5 | 174.2 | 133.7 | -113.8 | 173.5 | -169.4 | -130.8 | 0 | 114.9 | ||||
| 991 | R | 26.5 | Very low | 27.4 | Very low | 229 Ų | 229 | 145.2 Ų | 145.2 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -137.1 | 155.5 | -162 | -51.8 | 171.5 | 176.3 | 173.4 | -4.6 | 114.3 | ||||
| 992 | S | 22.5 | Very low | 27.5 | Very low | 107 Ų | 107 | 148.2 Ų | 148.2 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 179.8 | 139.3 | 130.4 | -155.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 993 | W | 20 | Very low | 27.5 | Very low | 211 Ų | 211 | 144.2 Ų | 144.2 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | cis | 73.6 | 145.8 | 30.1 | -67.5 | 72.8 | 0 | 0 | 0 | 114.6 | ||||
| 994 | P | 45.8 | Very low | 27.7 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | cis | -138 | 177.1 | 20.1 | 43.5 | -26.6 | 0 | 0 | 0 | 118.1 | ||||
| 995 | G | 24.2 | Very low | 27.5 | Very low | 70 Ų | 70 | 146.4 Ų | 146.4 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 169.8 | 125.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 996 | A | 27.8 | Very low | 27.4 | Very low | 80 Ų | 80 | 146.2 Ų | 146.2 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | trans | -130.2 | 168.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 997 | H | 28.3 | Very low | 27.6 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | cis | -157.1 | 167.9 | 43.8 | -76.7 | -96.4 | 0 | 0 | 0 | 114.7 | ||||
| 998 | H | 27.9 | Very low | 27.7 | Very low | 185 Ų | 185 | 147.8 Ų | 147.8 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 75.5 | 134.6 | 167.8 | -43.7 | -69.8 | 0 | 0 | 0 | 116.6 | ||||
| 999 | S | 25.6 | Very low | 27.1 | Very low | 104 Ų | 104 | 153.5 Ų | 153.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -165.3 | 110.3 | -15.1 | -178.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1000 | V | 28.1 | Very low | 27.3 | Very low | 125 Ų | 125 | 152.6 Ų | 152.6 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | 69.3 | 85.9 | 156.7 | -172.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1001 | D | 25.8 | Very low | 27.2 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | 21.1 | 145.3 | 113.2 | -60.2 | -29.8 | 0 | 0 | 0 | 120.2 | |||||
| 1002 | I | 27.1 | Very low | 27.3 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | cis | -165.9 | 161.5 | 5.3 | -121.1 | 168.1 | 0 | 0 | 0 | 113 | ||||
| 1003 | C | 24.3 | Very low | 27.6 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 69% | 0.689 | 79% | 0.791 | S | S | * | * | trans | 62.1 | 99.9 | 162.7 | -77.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1004 | E | 29 | Very low | 27.8 | Very low | 193 Ų | 193 | 138.8 Ų | 138.8 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | 45.6 | 127.3 | 117.4 | -62.5 | -177.5 | 140.5 | 0 | 0 | 123.3 | |||||
| 1005 | G | 34.3 | Very low | 26.9 | Very low | 73 Ų | 73 | 135.9 Ų | 135.9 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | 116.9 | 70.5 | 131.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1006 | L | 25.4 | Very low | 26.7 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 93% | 0.927 | 79% | 0.791 | S | S | * | * | trans | -156.1 | 105.6 | 167.4 | -146.2 | 70.2 | 0 | 0 | 0 | 114.5 | ||||
| 1007 | E | 27.3 | Very low | 26.7 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -92.3 | 153.3 | 157 | -66.8 | 165.8 | 158.8 | 0 | 0 | 107.5 | ||||
| 1008 | E | 27 | Very low | 26.9 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | cis | -152 | 158.4 | 5.3 | -138.7 | 175.7 | -171.3 | 0 | 0 | 108.4 | ||||
| 1009 | W | 24.2 | Very low | 26.5 | Very low | 241 Ų | 241 | 140.6 Ų | 140.6 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -108.6 | 142.5 | 166.2 | -78 | 74.1 | 0 | 0 | 0 | 109.2 | ||||
| 1010 | P | 28.6 | Very low | 26.6 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -138.7 | 159.6 | 112.5 | 37 | -26.3 | 0 | 0 | 0 | 113.7 | |||||
| 1011 | G | 22.3 | Very low | 26.5 | Very low | 66 Ų | 66 | 143.8 Ų | 143.8 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | trans | -117.7 | 154.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1012 | D | 27.6 | Very low | 26.8 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -43.4 | 161.6 | -179.9 | -63 | -46.9 | 0 | 0 | 0 | 116.5 | ||||
| 1013 | P | 29.9 | Very low | 26.9 | Very low | 129 Ų | 129 | 148 Ų | 148 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | -139.5 | 128.5 | 94 | 35.5 | -21.5 | 0 | 0 | 0 | 116.4 | |||||
| 1014 | D | 24.1 | Very low | 27.2 | Very low | 156 Ų | 156 | 153.2 Ų | 153.2 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -69.5 | 157.5 | 143.2 | -117.6 | -16.7 | 0 | 0 | 0 | 108.8 | ||||
| 1015 | A | 25.2 | Very low | 27.1 | Very low | 65 Ų | 65 | 153.7 Ų | 153.7 | 54% | 0.537 | 82% | 0.819 | S | S | . | * | cis | -160.9 | 159.9 | 0.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1016 | F | 21.6 | Very low | 27.1 | Very low | 218 Ų | 218 | 158.2 Ų | 158.2 | 96% | 0.956 | 82% | 0.822 | S | S | * | * | trans | -152.5 | 131 | 142.3 | -93.7 | -67.7 | 0 | 0 | 0 | 110.6 | ||||
| 1017 | L | 26.4 | Very low | 28.1 | Very low | 154 Ų | 154 | 155.5 Ų | 155.5 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | -127.7 | 162.1 | 177.8 | -92.1 | 167.3 | 0 | 0 | 0 | 107.4 | ||||
| 1018 | P | 32.7 | Very low | 29.5 | Very low | 122 Ų | 122 | 155.6 Ų | 155.6 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | cis | -144.3 | 160.7 | 34.2 | 41 | -22.3 | 0 | 0 | 0 | 118.5 | ||||
| 1019 | S | 20.9 | Very low | 31.4 | Very low | 100 Ų | 100 | 148.6 Ų | 148.6 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | -165.9 | 141.3 | 128.2 | -161.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1020 | E | 26.6 | Very low | 33.9 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -20.2 | 145.7 | 164.5 | -60.7 | 172.3 | 172.6 | 0 | 0 | 118.1 | ||||
| 1021 | T | 26.8 | Very low | 36.6 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | cis | -165.1 | 178.3 | 2.3 | 11.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1022 | E | 30.6 | Very low | 39.3 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | trans | 83.3 | 85.4 | 161.4 | -51.2 | -141.8 | 144.6 | 0 | 0 | 120.9 | ||||
| 1023 | E | 30.1 | Very low | 42.1 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 88% | 0.879 | 71% | 0.714 | S | S | * | * | trans | 37.4 | 115.8 | 138.7 | -55.8 | -158.5 | 154.3 | 0 | 0 | 123.1 | ||||
| 1024 | K | 29.9 | Very low | 44.6 | Very low | 211 Ų | 211 | 134.9 Ų | 134.9 | 92% | 0.917 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 129.1 | 149.9 | -75 | 177.5 | 178.8 | 171 | 0 | 110.7 | M1026 | K1024-M1026 PolarHBondContact O-N 3.3Š|
| 1025 | K | 28.1 | Very low | 47.6 | Very low | 204 Ų | 204 | 134.7 Ų | 134.7 | 89% | 0.887 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 120 | 177.2 | -76.5 | 175.8 | 178.1 | 166.6 | 0 | 112.5 | ||
| 1026 | M | 33.5 | Very low | 50.5 | Low | 168 Ų | 168 | 131.6 Ų | 131.6 | 83% | 0.828 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 134.8 | 173.8 | -157 | 178.4 | -161 | 0 | 0 | 111.1 | K1024 K1028 | K1024-M1026 PolarHBondContact O-N 3.3Å; M1026-K1028 PolarHBondContact O-N 2.92Å |
| 1027 | V | 46.3 | Very low | 53.3 | Low | 119 Ų | 119 | 126.1 Ų | 126.1 | 72% | 0.721 | 63% | 0.626 | S | S | * | * | trans | -78 | 114.2 | -178.2 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | Q1086 | V1027-Q1086 PolarHBondContact O-NE2 3.23Š| ||
| 1028 | K | 56.6 | Low | 55.8 | Low | 183 Ų | 183 | 120.6 Ų | 120.6 | 80% | 0.796 | 60% | 0.602 | S | S | * | * | trans | -81.1 | 124.3 | -176.7 | -161.2 | 169.7 | -171.3 | 172.1 | 0 | 111.4 | M1026 | M1026-K1028 PolarHBondContact O-N 2.92Š| ||
| 1029 | I | 68 | Low | 58.2 | Low | 30 Ų | 30 | 118.7 Ų | 118.7 | 15% | 0.154 | 59% | 0.585 | C | S | . | * | trans | -64.9 | 142.5 | 172.1 | -46.3 | 175.8 | 0 | 0 | 0 | 108.8 | L1058 W1067 A1082 L1085 Q1086 | I1029-L1058 HydrophobicContact CG2-CD1 3.41Å; I1029-L1058 VanDerWaalsContact CG2-CD1 3.41Å; I1029-W1067 HydrophobicContact CB-CZ2 4.15Å; I1029-W1067 HydrophobicContact CG2-CZ2 4.29Å; I1029-A1082 HydrophobicContact CD1-CB 3.87Å; I1029-A1082 VanDerWaalsContact CD1-O 3.28Å; I1029-A1082 WeakPolarHBondContact CD1-O 3.33Å; I1029-L1085 HydrophobicContact CD1-CB 4.29Å; I1029-Q1086 HydrophobicContact CD1-CG 3.83Å; I1029-Q1086 HydrophobicContact CG1-CG 4Å | ||
| 1030 | T | 76.7 | Confident | 60.8 | Low | 77 Ų | 77 | 115.3 Ų | 115.3 | 47% | 0.472 | 56% | 0.561 | S | S | . | * | trans | -126.7 | 156.2 | 179.7 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | G1032 Y1034 | T1030-G1032 PolarHBondContact O-N 3.25Å; T1030-Y1034 WeakPolarHBondContact O-CE2 3.49Å; T1030-Y1034 PolarHBondContact O-OH 2.83Å; T1030-Y1034 PolarHBondContact OG1-OH 2.65Å | ||
| 1031 | Q | 83.9 | Confident | 62.3 | Low | 132 Ų | 132 | 112.1 Ų | 112.1 | 62% | 0.617 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -58.2 | 132.6 | 170 | -171.6 | -178.9 | 9 | 0 | 0 | 110.3 | L1058 Q1059 W1067 | Q1031-L1058 VanDerWaalsContact CG-O 3.24Å; Q1031-L1058 WeakPolarHBondContact CG-O 3.04Å; Q1031-Q1059 VanDerWaalsContact CG-O 3.23Å; Q1031-Q1059 WeakPolarHBondContact CG-O 3.25Å; Q1031-Q1059 PolarHBondContact NE2-O 2.86Å; Q1031-Q1059 VanDerWaalsContact NE2-O 3.15Å; Q1031-W1067 HydrophobicContact CB-CZ3 4.44Å |
| 1032 | G | 79 | Confident | 63.7 | Low | 19 Ų | 19 | 111.9 Ų | 111.9 | 20% | 0.196 | 55% | 0.546 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | 174.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1030 H1057 L1058 | T1030-G1032 PolarHBondContact O-N 3.25Å; G1032-H1057 VanDerWaalsContact C-ND1 3.3Å; G1032-H1057 WeakPolarHBondContact O-CA 3.27Å; G1032-H1057 PolarHBondContact O-ND1 3.36Å; G1032-L1058 PolarHBondContact N-O 3.42Å; G1032-L1058 PolarHBondContact O-N 2.91Å |
| 1033 | K | 86.1 | Confident | 64.6 | Low | 147 Ų | 147 | 110.2 Ų | 110.2 | 64% | 0.639 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 130.2 | 169.5 | -67.8 | -177.6 | -175.8 | 178.1 | 0 | 109 | I1056 H1057 L1072 | K1033-I1056 CarbonylContact C-O 3.58Å; K1033-I1056 WeakPolarHBondContact CA-O 3.27Å; K1033-H1057 HydrophobicContact CG-CB 4.23Å; K1033-L1072 HydrophobicContact CD-CD1 3.93Å; K1033-L1072 HydrophobicContact CG-CD1 4.28Å |
| 1034 | Y | 84.3 | Confident | 65.8 | Low | 58 Ų | 58 | 103.6 Ų | 103.6 | 23% | 0.227 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155.2 | -178 | -63 | -88.6 | 0 | 0 | 0 | 109.5 | T1030 V1055 I1056 L1058 I1089 | T1030-Y1034 WeakPolarHBondContact O-CE2 3.49Å; T1030-Y1034 PolarHBondContact O-OH 2.83Å; T1030-Y1034 PolarHBondContact OG1-OH 2.65Å; Y1034-V1055 WeakPolarHBondContact O-CA 3.43Å; Y1034-I1056 PolarHBondContact N-O 3.42Å; Y1034-I1056 PolarHBondContact O-N 3.35Å; Y1034-L1058 HydrophobicContact CD2-CD1 3.9Å; Y1034-L1058 HydrophobicContact CD2-CG 3.89Å; Y1034-L1058 HydrophobicContact CE2-CB 4.44Å; Y1034-L1058 HydrophobicContact CE2-CD1 3.64Å; Y1034-L1058 HydrophobicContact CE2-CG 3.97Å; Y1034-I1089 HydrophobicContact CD1-CD1 4.16Å; Y1034-I1089 HydrophobicContact CD1-CG2 3.58Å; Y1034-I1089 HydrophobicContact CD2-CD1 3.99Å; Y1034-I1089 HydrophobicContact CE1-CG2 4.27Å; Y1034-I1089 HydrophobicContact CG-CD1 3.78Å; Y1034-I1089 HydrophobicContact CG-CG1 4.26Å; Y1034-I1089 HydrophobicContact CG-CG2 4.09Å |
| 1035 | R | 86.1 | Confident | 66.4 | Low | 153 Ų | 153 | 100.3 Ų | 100.3 | 58% | 0.577 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 133.7 | 164.8 | -169.7 | -179.5 | -65.9 | -84.7 | 10.4 | 108.2 | M1037 G1053 D1054 | R1035-M1037 PolarHBondContact O-N 3.41Å; R1035-G1053 PolarHBondContact NH1-O 2.66Å; R1035-D1054 CarbonylContact C-O 3.57Å; R1035-D1054 WeakPolarHBondContact CA-O 3.31Å |
| 1036 | A | 85.5 | Confident | 67.8 | Low | 0 Ų | 0 | 94.4 Ų | 94.4 | 0% | 0 | 52% | 0.522 | C | S | . | . | trans | -68.7 | 123.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | I1050 K1051 R1052 G1053 D1054 I1088 | A1036-I1050 HydrophobicContact CB-CG2 3.41Å; A1036-I1050 VanDerWaalsContact CB-CG2 3.41Å; A1036-K1051 WeakPolarHBondContact CB-O 3.4Å; A1036-R1052 WeakPolarHBondContact O-CA 3.34Å; A1036-G1053 PolarHBondContact O-N 3.14Å; A1036-D1054 HydrophobicContact CB-CB 4.49Å; A1036-D1054 PolarHBondContact N-O 2.9Å; A1036-I1088 CarbonylContact C-O 3.53Å; A1036-I1088 HydrophobicContact CB-CG2 3.91Å | ||
| 1037 | M | 81.1 | Confident | 69.3 | Low | 103 Ų | 103 | 88.1 Ų | 88.1 | 51% | 0.507 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -95.2 | -16.6 | 178.4 | -62.8 | -58.8 | -75.9 | 0 | 0 | 112.5 | R1035 R1052 I1088 I1089 | R1035-M1037 PolarHBondContact O-N 3.41Å; M1037-R1052 WeakPolarHBondContact O-CD 3.25Å; M1037-R1052 VanDerWaalsContact O-CG 3.31Å; M1037-R1052 WeakPolarHBondContact O-CG 3.41Å; M1037-R1052 PolarHBondContact O-NE 3.32Å; M1037-I1088 PolarHBondContact N-O 2.79Å; M1037-I1089 WeakPolarHBondContact CG-O 3.07Å |
| 1038 | A | 79.6 | Confident | 70.7 | Confident | 37 Ų | 37 | 82.7 Ų | 82.7 | 31% | 0.306 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -132.9 | 160.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1088 | A1038-I1088 PolarHBondContact N-O 3.46Š|
| 1039 | D | 81.7 | Confident | 71.9 | Confident | 82 Ų | 82 | 76.8 Ų | 76.8 | 44% | 0.439 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 144.1 | 168.6 | -82.1 | 24.4 | 0 | 0 | 0 | 109.7 | P1041 K1051 R1052 | D1039-P1041 WeakPolarHBondContact O-CD 3.44Å; D1039-K1051 VanDerWaalsContact OD1-CA 3.31Å; D1039-K1051 WeakPolarHBondContact OD1-CA 3.48Å; D1039-K1051 IonicContact OD2-NZ 2.72Å; D1039-R1052 WeakPolarHBondContact OD1-CB 3.48Å; D1039-R1052 PolarHBondContact OD1-N 3.14Å |
| 1040 | C | 75.8 | Confident | 72.6 | Confident | 29 Ų | 29 | 75.4 Ų | 75.4 | 20% | 0.196 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 120.4 | 175.1 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | Q1042 I1050 I1088 | C1040-Q1042 PolarHBondContact O-N 2.86Å; C1040-I1050 HydrophobicContact CB-CB 4.01Å; C1040-I1050 PolarHBondContact N-O 3.41Å; C1040-I1088 HydrophobicContact CB-CD1 3.74Å; C1040-I1088 HydrophobicContact CB-CG1 4.28Å |
| 1041 | P | 58.8 | Low | 72.9 | Confident | 104 Ų | 104 | 77 Ų | 77 | 68% | 0.675 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 122.1 | 170 | 27.5 | -32.9 | 0 | 0 | 0 | 108.9 | D1039 | D1039-P1041 WeakPolarHBondContact O-CD 3.44Š|
| 1042 | Q | 56.9 | Low | 72.9 | Confident | 120 Ų | 120 | 79.2 Ų | 79.2 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -88.9 | 132.7 | -166.7 | -161.4 | 175.2 | 11.5 | 0 | 0 | 111.9 | C1040 S1047 | C1040-Q1042 PolarHBondContact O-N 2.86Å; Q1042-S1047 VanDerWaalsContact CG-OG 3.28Å; Q1042-S1047 WeakPolarHBondContact CG-OG 3.18Å; Q1042-S1047 PolarHBondContact NE2-OG 3Å |
| 1043 | N | 49.2 | Very low | 72.7 | Confident | 151 Ų | 151 | 79.8 Ų | 79.8 | 81% | 0.807 | 44% | 0.44 | S | S | * | . | trans | -139 | 122.9 | 173.6 | -102.9 | -37.1 | 0 | 0 | 0 | 110.8 | ||||
| 1044 | G | 55.1 | Low | 72.7 | Confident | 49 Ų | 49 | 73.8 Ų | 73.8 | 51% | 0.505 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 82.5 | 149 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | S1047 | G1044-S1047 WeakPolarHBondContact O-CB 3.5Å; G1044-S1047 PolarHBondContact O-N 3.47Å; G1044-S1047 PolarHBondContact O-OG 2.95Å |
| 1045 | P | 42.9 | Very low | 72.8 | Confident | 142 Ų | 142 | 73.2 Ų | 73.2 | 92% | 0.922 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 132 | 174.2 | 29.6 | -33.9 | 0 | 0 | 0 | 110.7 | ||
| 1046 | G | 56.5 | Low | 73 | Confident | 79 Ų | 79 | 66 Ų | 66 | 81% | 0.814 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.1 | 6.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1047 | S | 64.9 | Low | 73.2 | Confident | 36 Ų | 36 | 68.2 Ų | 68.2 | 25% | 0.252 | 40% | 0.4 | S | S | . | . | trans | -76.7 | 142.2 | 171.3 | 49.5 | 0 | 0 | 0 | 0 | 112.5 | Q1042 G1044 | Q1042-S1047 VanDerWaalsContact CG-OG 3.28Å; Q1042-S1047 WeakPolarHBondContact CG-OG 3.18Å; Q1042-S1047 PolarHBondContact NE2-OG 3Å; G1044-S1047 WeakPolarHBondContact O-CB 3.5Å; G1044-S1047 PolarHBondContact O-N 3.47Å; G1044-S1047 PolarHBondContact O-OG 2.95Å | ||
| 1048 | V | 75.4 | Confident | 73.7 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.03 | 38% | 0.376 | C | S | . | . | trans | -75 | 127.7 | 177.3 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | I1050 N1071 Q1076 | V1048-I1050 HydrophobicContact CG1-CG1 4.06Å; V1048-I1050 PolarHBondContact O-N 3.4Å; V1048-N1071 HydrophobicContact CG1-CB 3.99Å; V1048-Q1076 HydrophobicContact CG1-CB 4.01Å | ||
| 1049 | I | 81.8 | Confident | 74 | Confident | 59 Ų | 59 | 64.2 Ų | 64.2 | 30% | 0.303 | 37% | 0.374 | S | S | . | . | trans | -84 | 115.3 | 175.9 | -44.9 | 179.6 | 0 | 0 | 0 | 109 | N1071 | I1049-N1071 PolarHBondContact O-ND2 2.95Š| ||
| 1050 | I | 83.2 | Confident | 74.1 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | trans | -119.1 | 129.6 | 175.1 | -58.9 | 168.4 | 0 | 0 | 0 | 108.3 | A1036 C1040 V1048 D1054 I1056 V1069 I1080 I1088 | A1036-I1050 HydrophobicContact CB-CG2 3.41Å; A1036-I1050 VanDerWaalsContact CB-CG2 3.41Å; C1040-I1050 HydrophobicContact CB-CB 4.01Å; C1040-I1050 PolarHBondContact N-O 3.41Å; V1048-I1050 HydrophobicContact CG1-CG1 4.06Å; V1048-I1050 PolarHBondContact O-N 3.4Å; I1050-D1054 HydrophobicContact CG2-CB 4.31Å; I1050-I1056 HydrophobicContact CD1-CD1 4.22Å; I1050-I1056 HydrophobicContact CD1-CG2 3.98Å; I1050-I1056 HydrophobicContact CG1-CG2 3.98Å; I1050-I1056 HydrophobicContact CG2-CG2 3.77Å; I1050-V1069 HydrophobicContact CD1-CG1 3.92Å; I1050-I1080 HydrophobicContact CD1-CD1 3.33Å; I1050-I1080 HydrophobicContact CG1-CD1 4.45Å; I1050-I1088 HydrophobicContact CG2-CG2 4Å | ||
| 1051 | K | 83.9 | Confident | 74.5 | Confident | 109 Ų | 109 | 66.5 Ų | 66.5 | 47% | 0.474 | 39% | 0.386 | S | S | . | . | trans | -114.8 | 154.5 | 171.8 | -70.4 | -156.8 | 166.8 | -142.2 | 0 | 112 | A1036 D1039 G1053 D1054 | A1036-K1051 WeakPolarHBondContact CB-O 3.4Å; D1039-K1051 VanDerWaalsContact OD1-CA 3.31Å; D1039-K1051 WeakPolarHBondContact OD1-CA 3.48Å; D1039-K1051 IonicContact OD2-NZ 2.72Å; K1051-G1053 PolarHBondContact O-N 3.25Å; K1051-D1054 PolarHBondContact N-OD2 3.48Å; K1051-D1054 VanDerWaalsContact O-CB 3.23Å; K1051-D1054 WeakPolarHBondContact O-CB 3.34Å; K1051-D1054 PolarHBondContact O-N 2.91Å | ||
| 1052 | R | 82.9 | Confident | 75.5 | Confident | 180 Ų | 180 | 63.2 Ų | 63.2 | 68% | 0.679 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 122.5 | 172.3 | -175.3 | 171.7 | -164.8 | -156.9 | 0.2 | 110.1 | A1036 M1037 D1039 | A1036-R1052 WeakPolarHBondContact O-CA 3.34Å; M1037-R1052 WeakPolarHBondContact O-CD 3.25Å; M1037-R1052 VanDerWaalsContact O-CG 3.31Å; M1037-R1052 WeakPolarHBondContact O-CG 3.41Å; M1037-R1052 PolarHBondContact O-NE 3.32Å; D1039-R1052 WeakPolarHBondContact OD1-CB 3.48Å; D1039-R1052 PolarHBondContact OD1-N 3.14Å |
| 1053 | G | 76.1 | Confident | 76.4 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 32% | 0.32 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.9 | -21.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115 | R1035 A1036 K1051 | R1035-G1053 PolarHBondContact NH1-O 2.66Å; A1036-G1053 PolarHBondContact O-N 3.14Å; K1051-G1053 PolarHBondContact O-N 3.25Å |
| 1054 | D | 85.4 | Confident | 77.6 | Confident | 21 Ų | 21 | 68 Ų | 68 | 11% | 0.112 | 38% | 0.377 | C | S | . | . | trans | -60.9 | 146.9 | 176.8 | -80.5 | -26.6 | 0 | 0 | 0 | 111.8 | R1035 A1036 I1050 K1051 I1056 N1071 S1073 R1074 | R1035-D1054 CarbonylContact C-O 3.57Å; R1035-D1054 WeakPolarHBondContact CA-O 3.31Å; A1036-D1054 HydrophobicContact CB-CB 4.49Å; A1036-D1054 PolarHBondContact N-O 2.9Å; I1050-D1054 HydrophobicContact CG2-CB 4.31Å; K1051-D1054 PolarHBondContact N-OD2 3.48Å; K1051-D1054 VanDerWaalsContact O-CB 3.23Å; K1051-D1054 WeakPolarHBondContact O-CB 3.34Å; K1051-D1054 PolarHBondContact O-N 2.91Å; D1054-I1056 HydrophobicContact CB-CG2 4.38Å; D1054-N1071 PolarHBondContact OD2-ND2 2.94Å; D1054-S1073 VanDerWaalsContact OD1-CB 3.25Å; D1054-S1073 WeakPolarHBondContact OD1-CB 3.48Å; D1054-R1074 VanDerWaalsContact OD2-CD 3.23Å; D1054-R1074 WeakPolarHBondContact OD2-CD 3.48Å | ||
| 1055 | V | 87 | Confident | 78.4 | Confident | 46 Ų | 46 | 67 Ų | 67 | 28% | 0.279 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 115.1 | 172.5 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | Y1034 L1072 S1073 | Y1034-V1055 WeakPolarHBondContact O-CA 3.43Å; V1055-L1072 HydrophobicContact CG1-CD1 4.37Å; V1055-L1072 WeakPolarHBondContact O-CB 3.45Å; V1055-L1072 PolarHBondContact O-N 3.19Å; V1055-S1073 PolarHBondContact N-OG 2.97Å |
| 1056 | I | 90 | Very high | 80.4 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 145.5 | -176.8 | 67.5 | 175.5 | 0 | 0 | 0 | 110.5 | K1033 Y1034 I1050 D1054 V1069 K1070 N1071 L1085 I1088 I1089 | K1033-I1056 CarbonylContact C-O 3.58Å; K1033-I1056 WeakPolarHBondContact CA-O 3.27Å; Y1034-I1056 PolarHBondContact N-O 3.42Å; Y1034-I1056 PolarHBondContact O-N 3.35Å; I1050-I1056 HydrophobicContact CD1-CD1 4.22Å; I1050-I1056 HydrophobicContact CD1-CG2 3.98Å; I1050-I1056 HydrophobicContact CG1-CG2 3.98Å; I1050-I1056 HydrophobicContact CG2-CG2 3.77Å; D1054-I1056 HydrophobicContact CB-CG2 4.38Å; I1056-V1069 HydrophobicContact CB-CG1 3.95Å; I1056-V1069 HydrophobicContact CD1-CG1 4.21Å; I1056-V1069 HydrophobicContact CG1-CG1 4.48Å; I1056-K1070 CarbonylContact C-O 3.53Å; I1056-K1070 WeakPolarHBondContact CA-O 3.4Å; I1056-N1071 HydrophobicContact CG2-CB 4.32Å; I1056-L1085 HydrophobicContact CD1-CD2 4.1Å; I1056-I1088 HydrophobicContact CD1-CG2 4.07Å; I1056-I1089 HydrophobicContact CD1-CD1 4.41Å; I1056-I1089 HydrophobicContact CD1-CG1 4.12Å |
| 1057 | H | 89.9 | Confident | 81.8 | Confident | 47 Ų | 47 | 61.6 Ų | 61.6 | 22% | 0.218 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 115.4 | 176.9 | -171.8 | 24.7 | 0 | 0 | 0 | 110.2 | G1032 K1033 V1069 K1070 L1072 | G1032-H1057 VanDerWaalsContact C-ND1 3.3Å; G1032-H1057 WeakPolarHBondContact O-CA 3.27Å; G1032-H1057 PolarHBondContact O-ND1 3.36Å; K1033-H1057 HydrophobicContact CG-CB 4.23Å; H1057-V1069 WeakPolarHBondContact O-CA 3.36Å; H1057-K1070 HydrophobicContact CB-CB 4.5Å; H1057-K1070 PolarHBondContact N-O 2.92Å; H1057-K1070 PolarHBondContact O-N 3.06Å; H1057-L1072 HydrophobicContact CB-CD1 4.13Å; H1057-L1072 HydrophobicContact CB-CD2 4.4Å; H1057-L1072 HydrophobicContact CB-CG 4.2Å |
| 1058 | L | 89.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 130 | 168.8 | -54.7 | -174.5 | 0 | 0 | 0 | 108.6 | I1029 Q1031 G1032 Y1034 W1067 V1069 L1085 I1089 | I1029-L1058 HydrophobicContact CG2-CD1 3.41Å; I1029-L1058 VanDerWaalsContact CG2-CD1 3.41Å; Q1031-L1058 VanDerWaalsContact CG-O 3.24Å; Q1031-L1058 WeakPolarHBondContact CG-O 3.04Å; G1032-L1058 PolarHBondContact N-O 3.42Å; G1032-L1058 PolarHBondContact O-N 2.91Å; Y1034-L1058 HydrophobicContact CD2-CD1 3.9Å; Y1034-L1058 HydrophobicContact CD2-CG 3.89Å; Y1034-L1058 HydrophobicContact CE2-CB 4.44Å; Y1034-L1058 HydrophobicContact CE2-CD1 3.64Å; Y1034-L1058 HydrophobicContact CE2-CG 3.97Å; L1058-W1067 HydrophobicContact CB-CE3 3.88Å; L1058-W1067 HydrophobicContact CB-CZ3 4.33Å; L1058-W1067 HydrophobicContact CD1-CE3 4.43Å; L1058-W1067 HydrophobicContact CD2-CB 4.42Å; L1058-V1069 HydrophobicContact CD2-CB 4.34Å; L1058-V1069 HydrophobicContact CD2-CG1 4.05Å; L1058-V1069 HydrophobicContact CD2-CG2 3.71Å; L1058-L1085 HydrophobicContact CD1-CD1 4.47Å; L1058-L1085 HydrophobicContact CD2-CD1 3.6Å; L1058-L1085 HydrophobicContact CD2-CD2 3.85Å; L1058-L1085 HydrophobicContact CD2-CG 4.36Å; L1058-I1089 HydrophobicContact CD1-CD1 3.82Å; L1058-I1089 HydrophobicContact CG-CD1 4.44Å |
| 1059 | Q | 86.7 | Confident | 83.6 | Confident | 56 Ų | 56 | 61.1 Ų | 61.1 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -56.9 | -177.9 | -72.9 | 177.4 | 58.6 | 0 | 0 | 113.2 | Q1031 L1068 E1077 | Q1031-Q1059 VanDerWaalsContact CG-O 3.23Å; Q1031-Q1059 WeakPolarHBondContact CG-O 3.25Å; Q1031-Q1059 PolarHBondContact NE2-O 2.86Å; Q1031-Q1059 VanDerWaalsContact NE2-O 3.15Å; Q1059-L1068 HydrophobicContact CB-CB 4.46Å; Q1059-L1068 HydrophobicContact CB-CD2 4.42Å; Q1059-L1068 PolarHBondContact N-O 3.44Å; Q1059-E1077 PolarHBondContact NE2-OE1 3.48Å |
| 1060 | C | 84.1 | Confident | 83.9 | Confident | 67 Ų | 67 | 61.8 Ų | 61.8 | 45% | 0.453 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 157.2 | -178.1 | 54.4 | 0 | 0 | 0 | 0 | 110.6 | W1067 L1068 | C1060-W1067 CarbonylContact O-C 3.52Å; C1060-W1067 WeakPolarHBondContact O-CA 3.23Å; C1060-L1068 PolarHBondContact O-N 3.4Å |
| 1061 | E | 84.4 | Confident | 84.2 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 136.9 | 173.9 | -170.1 | 159.5 | -135.7 | 0 | 0 | 109.8 | W1067 | E1061-W1067 HydrophobicContact CB-CD2 3.99Å; E1061-W1067 HydrophobicContact CB-CE3 4.45Å; E1061-W1067 HydrophobicContact CB-CG 4.33Å; E1061-W1067 HydrophobicContact CB-CZ2 4.02Å; E1061-W1067 HydrophobicContact CG-CG 4.49Å; E1061-W1067 PolarHBondContact OE1-NE1 2.82Å |
| 1062 | D | 79.4 | Confident | 84.3 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 19% | 0.187 | 29% | 0.294 | C | S | . | . | trans | -82.8 | 164.8 | 173.8 | 81.4 | -1.6 | 0 | 0 | 0 | 111.8 | R1064 G1065 R1066 F1079 | D1062-R1064 PolarHBondContact O-N 2.98Å; D1062-R1064 VanDerWaalsContact OD1-C 3.27Å; D1062-R1064 VanDerWaalsContact OD1-CA 3.3Å; D1062-R1064 WeakPolarHBondContact OD1-CA 3.24Å; D1062-R1064 WeakPolarHBondContact OD1-CB 3.36Å; D1062-R1064 PolarHBondContact OD1-N 3.19Å; D1062-G1065 PolarHBondContact O-N 2.97Å; D1062-G1065 PolarHBondContact OD1-N 2.8Å; D1062-R1066 PolarHBondContact N-O 3.41Å; D1062-R1066 WeakPolarHBondContact OD1-CB 3.2Å; D1062-R1066 PolarHBondContact OD1-N 2.87Å; D1062-R1066 IonicContact OD1-NE 2.73Å; D1062-R1066 IonicContact OD2-CZ 3.68Å; D1062-R1066 IonicContact OD2-NE 2.6Å; D1062-R1066 PolarHBondContact OD2-NE 3.48Å; D1062-R1066 IonicContact OD2-NH2 3.74Å; D1062-R1066 PolarHBondContact OD2-NH2 3.49Å; D1062-F1079 HydrophobicContact CB-CE1 4.37Å | ||
| 1063 | N | 76.6 | Confident | 84.3 | Confident | 175 Ų | 175 | 54.4 Ų | 54.4 | 94% | 0.936 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 11.4 | 179 | -58.1 | 13.2 | 0 | 0 | 0 | 113.8 | ||
| 1064 | R | 74.2 | Confident | 84.5 | Confident | 196 Ų | 196 | 57.8 Ų | 57.8 | 74% | 0.74 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.7 | 12.8 | 178 | -55.9 | -178.5 | 64.2 | -157 | -2.7 | 112.5 | D1062 | D1062-R1064 PolarHBondContact O-N 2.98Å; D1062-R1064 VanDerWaalsContact OD1-C 3.27Å; D1062-R1064 VanDerWaalsContact OD1-CA 3.3Å; D1062-R1064 WeakPolarHBondContact OD1-CA 3.24Å; D1062-R1064 WeakPolarHBondContact OD1-CB 3.36Å; D1062-R1064 PolarHBondContact OD1-N 3.19Å |
| 1065 | G | 71.3 | Confident | 84.4 | Confident | 30 Ų | 30 | 65.4 Ų | 65.4 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 74.7 | 28.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1062 A1082 | D1062-G1065 PolarHBondContact O-N 2.97Å; D1062-G1065 PolarHBondContact OD1-N 2.8Å; G1065-A1082 PolarHBondContact O-N 3.28Å |
| 1066 | R | 84.1 | Confident | 84.2 | Confident | 85 Ų | 85 | 66.7 Ų | 66.7 | 32% | 0.321 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.4 | 177.8 | -46.6 | 178.6 | -58.1 | 150.6 | 10.2 | 110.3 | D1062 F1079 I1080 | D1062-R1066 PolarHBondContact N-O 3.41Å; D1062-R1066 WeakPolarHBondContact OD1-CB 3.2Å; D1062-R1066 PolarHBondContact OD1-N 2.87Å; D1062-R1066 IonicContact OD1-NE 2.73Å; D1062-R1066 IonicContact OD2-CZ 3.68Å; D1062-R1066 IonicContact OD2-NE 2.6Å; D1062-R1066 PolarHBondContact OD2-NE 3.48Å; D1062-R1066 IonicContact OD2-NH2 3.74Å; D1062-R1066 PolarHBondContact OD2-NH2 3.49Å; R1066-F1079 HydrophobicContact CB-CB 4.45Å; R1066-I1080 CarbonylContact C-O 3.53Å; R1066-I1080 VanDerWaalsContact CA-O 3.32Å; R1066-I1080 WeakPolarHBondContact CA-O 3.33Å |
| 1067 | W | 87.7 | Confident | 84 | Confident | 21 Ų | 21 | 70.6 Ų | 70.6 | 8% | 0.08 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 142 | 179.6 | -69.3 | 68.6 | 0 | 0 | 0 | 111.6 | I1029 Q1031 L1058 C1060 E1061 V1069 F1079 I1080 L1085 | I1029-W1067 HydrophobicContact CB-CZ2 4.15Å; I1029-W1067 HydrophobicContact CG2-CZ2 4.29Å; Q1031-W1067 HydrophobicContact CB-CZ3 4.44Å; L1058-W1067 HydrophobicContact CB-CE3 3.88Å; L1058-W1067 HydrophobicContact CB-CZ3 4.33Å; L1058-W1067 HydrophobicContact CD1-CE3 4.43Å; L1058-W1067 HydrophobicContact CD2-CB 4.42Å; C1060-W1067 CarbonylContact O-C 3.52Å; C1060-W1067 WeakPolarHBondContact O-CA 3.23Å; E1061-W1067 HydrophobicContact CB-CD2 3.99Å; E1061-W1067 HydrophobicContact CB-CE3 4.45Å; E1061-W1067 HydrophobicContact CB-CG 4.33Å; E1061-W1067 HydrophobicContact CB-CZ2 4.02Å; E1061-W1067 HydrophobicContact CG-CG 4.49Å; E1061-W1067 PolarHBondContact OE1-NE1 2.82Å; W1067-V1069 HydrophobicContact CB-CG2 4.36Å; W1067-V1069 WeakPolarHBondContact O-CG2 3.42Å; W1067-V1069 PolarHBondContact O-N 3.5Å; W1067-F1079 CarbonylContact O-C 3.54Å; W1067-F1079 VanDerWaalsContact O-CA 3.28Å; W1067-F1079 WeakPolarHBondContact O-CA 3.27Å; W1067-I1080 PolarHBondContact N-O 3.11Å; W1067-I1080 PolarHBondContact O-N 3.07Å; W1067-L1085 HydrophobicContact CB-CD1 3.55Å; W1067-L1085 HydrophobicContact CG-CD1 3.92Å |
| 1068 | L | 87.9 | Confident | 83.8 | Confident | 32 Ų | 32 | 68.9 Ų | 68.9 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 118.1 | 162.4 | -177.7 | 61.2 | 0 | 0 | 0 | 109 | Q1059 C1060 E1077 F1079 | Q1059-L1068 HydrophobicContact CB-CB 4.46Å; Q1059-L1068 HydrophobicContact CB-CD2 4.42Å; Q1059-L1068 PolarHBondContact N-O 3.44Å; C1060-L1068 PolarHBondContact O-N 3.4Å; L1068-E1077 HydrophobicContact CD1-CG 3.88Å; L1068-E1077 HydrophobicContact CG-CG 4.47Å; L1068-F1079 HydrophobicContact CB-CD1 4.22Å; L1068-F1079 HydrophobicContact CB-CE1 3.84Å; L1068-F1079 HydrophobicContact CB-CZ 4.3Å; L1068-F1079 HydrophobicContact CD1-CD2 4.36Å; L1068-F1079 HydrophobicContact CD1-CE1 4.22Å; L1068-F1079 HydrophobicContact CD1-CE2 4.03Å; L1068-F1079 HydrophobicContact CD1-CZ 3.95Å |
| 1069 | V | 89 | Confident | 83.5 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.5 | -175.6 | -168.4 | 0 | 0 | 0 | 0 | 109.6 | I1050 I1056 H1057 L1058 W1067 E1077 G1078 I1080 L1085 | I1050-V1069 HydrophobicContact CD1-CG1 3.92Å; I1056-V1069 HydrophobicContact CB-CG1 3.95Å; I1056-V1069 HydrophobicContact CD1-CG1 4.21Å; I1056-V1069 HydrophobicContact CG1-CG1 4.48Å; H1057-V1069 WeakPolarHBondContact O-CA 3.36Å; L1058-V1069 HydrophobicContact CD2-CB 4.34Å; L1058-V1069 HydrophobicContact CD2-CG1 4.05Å; L1058-V1069 HydrophobicContact CD2-CG2 3.71Å; W1067-V1069 HydrophobicContact CB-CG2 4.36Å; W1067-V1069 WeakPolarHBondContact O-CG2 3.42Å; W1067-V1069 PolarHBondContact O-N 3.5Å; V1069-E1077 WeakPolarHBondContact O-CA 3.45Å; V1069-G1078 PolarHBondContact N-O 2.92Å; V1069-G1078 PolarHBondContact O-N 3.21Å; V1069-G1078 VanDerWaalsContact O-N 3.1Å; V1069-I1080 HydrophobicContact CB-CD1 4.28Å; V1069-I1080 HydrophobicContact CB-CG1 4.47Å; V1069-I1080 HydrophobicContact CG2-CB 3.94Å; V1069-I1080 HydrophobicContact CG2-CD1 4.02Å; V1069-I1080 HydrophobicContact CG2-CG1 3.93Å; V1069-L1085 HydrophobicContact CG2-CD1 3.84Å; V1069-L1085 HydrophobicContact CG2-CD2 4.13Å; V1069-L1085 HydrophobicContact CG2-CG 4.46Å |
| 1070 | K | 89.3 | Confident | 83.4 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 32% | 0.317 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 110.5 | 173.3 | -165.7 | 172.9 | -157.4 | 128.6 | 0 | 110.1 | I1056 H1057 L1072 Q1076 E1077 | I1056-K1070 CarbonylContact C-O 3.53Å; I1056-K1070 WeakPolarHBondContact CA-O 3.4Å; H1057-K1070 HydrophobicContact CB-CB 4.5Å; H1057-K1070 PolarHBondContact N-O 2.92Å; H1057-K1070 PolarHBondContact O-N 3.06Å; K1070-L1072 HydrophobicContact CD-CD2 4.25Å; K1070-L1072 HydrophobicContact CG-CD2 4.16Å; K1070-L1072 PolarHBondContact O-N 2.79Å; K1070-Q1076 CarbonylContact C-O 3.52Å; K1070-Q1076 WeakPolarHBondContact CA-O 3.36Å; K1070-E1077 HydrophobicContact CB-CB 4.47Å; K1070-E1077 HydrophobicContact CB-CG 4.18Å; K1070-E1077 WeakPolarHBondContact CD-OE1 3.38Å; K1070-E1077 WeakPolarHBondContact CE-OE2 3.27Å; K1070-E1077 HydrophobicContact CG-CB 4.14Å; K1070-E1077 HydrophobicContact CG-CG 4.22Å; K1070-E1077 VanDerWaalsContact NZ-CD 3.34Å; K1070-E1077 IonicContact NZ-OE1 3.87Å; K1070-E1077 PolarHBondContact NZ-OE1 2.95Å; K1070-E1077 IonicContact NZ-OE2 3.26Å; K1070-E1077 PolarHBondContact NZ-OE2 3.19Å |
| 1071 | N | 88.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 103.2 | 172.8 | -173.9 | -19.3 | 0 | 0 | 0 | 108.8 | V1048 I1049 D1054 I1056 S1073 R1074 Q1075 Q1076 | V1048-N1071 HydrophobicContact CG1-CB 3.99Å; I1049-N1071 PolarHBondContact O-ND2 2.95Å; D1054-N1071 PolarHBondContact OD2-ND2 2.94Å; I1056-N1071 HydrophobicContact CG2-CB 4.32Å; N1071-S1073 WeakPolarHBondContact OD1-CB 3.36Å; N1071-S1073 PolarHBondContact OD1-N 2.97Å; N1071-S1073 VanDerWaalsContact OD1-N 3.14Å; N1071-R1074 WeakPolarHBondContact ND2-CD 3.28Å; N1071-R1074 PolarHBondContact O-N 3.4Å; N1071-R1074 PolarHBondContact OD1-N 3.29Å; N1071-Q1075 WeakPolarHBondContact O-CA 3.15Å; N1071-Q1075 PolarHBondContact O-N 3.19Å; N1071-Q1076 PolarHBondContact N-O 3.17Å; N1071-Q1076 PolarHBondContact O-N 2.81Å |
| 1072 | L | 85.8 | Confident | 83.1 | Confident | 68 Ų | 68 | 67 Ų | 67 | 36% | 0.356 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -30.9 | -177.2 | -58.7 | -179.8 | 0 | 0 | 0 | 111.9 | K1033 V1055 H1057 K1070 R1074 | K1033-L1072 HydrophobicContact CD-CD1 3.93Å; K1033-L1072 HydrophobicContact CG-CD1 4.28Å; V1055-L1072 HydrophobicContact CG1-CD1 4.37Å; V1055-L1072 WeakPolarHBondContact O-CB 3.45Å; V1055-L1072 PolarHBondContact O-N 3.19Å; H1057-L1072 HydrophobicContact CB-CD1 4.13Å; H1057-L1072 HydrophobicContact CB-CD2 4.4Å; H1057-L1072 HydrophobicContact CB-CG 4.2Å; K1070-L1072 HydrophobicContact CD-CD2 4.25Å; K1070-L1072 HydrophobicContact CG-CD2 4.16Å; K1070-L1072 PolarHBondContact O-N 2.79Å; L1072-R1074 PolarHBondContact O-N 3.29Å |
| 1073 | S | 83.8 | Confident | 82.9 | Confident | 67 Ų | 67 | 68.4 Ų | 68.4 | 47% | 0.469 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.4 | 174.4 | -65.5 | 0 | 0 | 0 | 0 | 112.9 | D1054 V1055 N1071 | D1054-S1073 VanDerWaalsContact OD1-CB 3.25Å; D1054-S1073 WeakPolarHBondContact OD1-CB 3.48Å; V1055-S1073 PolarHBondContact N-OG 2.97Å; N1071-S1073 WeakPolarHBondContact OD1-CB 3.36Å; N1071-S1073 PolarHBondContact OD1-N 2.97Å; N1071-S1073 VanDerWaalsContact OD1-N 3.14Å |
| 1074 | R | 79.5 | Confident | 83 | Confident | 103 Ų | 103 | 62.2 Ų | 62.2 | 39% | 0.389 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | 2.5 | -169.1 | -51.5 | -172.9 | 71.8 | -170.8 | -0.6 | 114.5 | D1054 N1071 L1072 Q1076 | D1054-R1074 VanDerWaalsContact OD2-CD 3.23Å; D1054-R1074 WeakPolarHBondContact OD2-CD 3.48Å; N1071-R1074 WeakPolarHBondContact ND2-CD 3.28Å; N1071-R1074 PolarHBondContact O-N 3.4Å; N1071-R1074 PolarHBondContact OD1-N 3.29Å; L1072-R1074 PolarHBondContact O-N 3.29Å; R1074-Q1076 VanDerWaalsContact C-N 3.25Å; R1074-Q1076 PolarHBondContact O-N 3.14Å |
| 1075 | Q | 82.9 | Confident | 83.2 | Confident | 180 Ų | 180 | 52.9 Ų | 52.9 | 84% | 0.841 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 35.2 | -178.5 | -56 | -169 | 8.8 | 0 | 0 | 115 | N1071 | N1071-Q1075 WeakPolarHBondContact O-CA 3.15Å; N1071-Q1075 PolarHBondContact O-N 3.19Å |
| 1076 | Q | 82.5 | Confident | 83.6 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 34% | 0.341 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 152.4 | 177.3 | -69.8 | -178.1 | -6.1 | 0 | 0 | 111.5 | V1048 K1070 N1071 R1074 | V1048-Q1076 HydrophobicContact CG1-CB 4.01Å; K1070-Q1076 CarbonylContact C-O 3.52Å; K1070-Q1076 WeakPolarHBondContact CA-O 3.36Å; N1071-Q1076 PolarHBondContact N-O 3.17Å; N1071-Q1076 PolarHBondContact O-N 2.81Å; R1074-Q1076 VanDerWaalsContact C-N 3.25Å; R1074-Q1076 PolarHBondContact O-N 3.14Å |
| 1077 | E | 86.8 | Confident | 83.3 | Confident | 83 Ų | 83 | 57.8 Ų | 57.8 | 39% | 0.388 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 143.2 | -172.6 | -171.7 | 160.1 | -139.5 | 0 | 0 | 112.2 | Q1059 L1068 V1069 K1070 | Q1059-E1077 PolarHBondContact NE2-OE1 3.48Å; L1068-E1077 HydrophobicContact CD1-CG 3.88Å; L1068-E1077 HydrophobicContact CG-CG 4.47Å; V1069-E1077 WeakPolarHBondContact O-CA 3.45Å; K1070-E1077 HydrophobicContact CB-CB 4.47Å; K1070-E1077 HydrophobicContact CB-CG 4.18Å; K1070-E1077 WeakPolarHBondContact CD-OE1 3.38Å; K1070-E1077 WeakPolarHBondContact CE-OE2 3.27Å; K1070-E1077 HydrophobicContact CG-CB 4.14Å; K1070-E1077 HydrophobicContact CG-CG 4.22Å; K1070-E1077 VanDerWaalsContact NZ-CD 3.34Å; K1070-E1077 IonicContact NZ-OE1 3.87Å; K1070-E1077 PolarHBondContact NZ-OE1 2.95Å; K1070-E1077 IonicContact NZ-OE2 3.26Å; K1070-E1077 PolarHBondContact NZ-OE2 3.19Å |
| 1078 | G | 84.9 | Confident | 82.8 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.8 | -175.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1069 | V1069-G1078 PolarHBondContact N-O 2.92Å; V1069-G1078 PolarHBondContact O-N 3.21Å; V1069-G1078 VanDerWaalsContact O-N 3.1Å |
| 1079 | F | 84.9 | Confident | 82.4 | Confident | 100 Ų | 100 | 56 Ų | 56 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 138.4 | -167.2 | -67 | -90.9 | 0 | 0 | 0 | 114.1 | D1062 R1066 W1067 L1068 | D1062-F1079 HydrophobicContact CB-CE1 4.37Å; R1066-F1079 HydrophobicContact CB-CB 4.45Å; W1067-F1079 CarbonylContact O-C 3.54Å; W1067-F1079 VanDerWaalsContact O-CA 3.28Å; W1067-F1079 WeakPolarHBondContact O-CA 3.27Å; L1068-F1079 HydrophobicContact CB-CD1 4.22Å; L1068-F1079 HydrophobicContact CB-CE1 3.84Å; L1068-F1079 HydrophobicContact CB-CZ 4.3Å; L1068-F1079 HydrophobicContact CD1-CD2 4.36Å; L1068-F1079 HydrophobicContact CD1-CE1 4.22Å; L1068-F1079 HydrophobicContact CD1-CE2 4.03Å; L1068-F1079 HydrophobicContact CD1-CZ 3.95Å |
| 1080 | I | 83.3 | Confident | 81.1 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 138.2 | 177.1 | -55 | -176.3 | 0 | 0 | 0 | 109.7 | I1050 R1066 W1067 V1069 L1085 I1088 | I1050-I1080 HydrophobicContact CD1-CD1 3.33Å; I1050-I1080 HydrophobicContact CG1-CD1 4.45Å; R1066-I1080 CarbonylContact C-O 3.53Å; R1066-I1080 VanDerWaalsContact CA-O 3.32Å; R1066-I1080 WeakPolarHBondContact CA-O 3.33Å; W1067-I1080 PolarHBondContact N-O 3.11Å; W1067-I1080 PolarHBondContact O-N 3.07Å; V1069-I1080 HydrophobicContact CB-CD1 4.28Å; V1069-I1080 HydrophobicContact CB-CG1 4.47Å; V1069-I1080 HydrophobicContact CG2-CB 3.94Å; V1069-I1080 HydrophobicContact CG2-CD1 4.02Å; V1069-I1080 HydrophobicContact CG2-CG1 3.93Å; I1080-L1085 HydrophobicContact CB-CD1 4.29Å; I1080-L1085 HydrophobicContact CB-CG 4.15Å; I1080-L1085 HydrophobicContact CG2-CD1 4.49Å; I1080-L1085 HydrophobicContact CG2-CD2 4.38Å; I1080-L1085 HydrophobicContact CG2-CG 3.88Å; I1080-I1088 HydrophobicContact CD1-CD1 4.41Å; I1080-I1088 HydrophobicContact CG2-CD1 4.18Å |
| 1081 | A | 82.8 | Confident | 79.1 | Confident | 40 Ų | 40 | 60 Ų | 60 | 33% | 0.331 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 144.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1083 S1084 L1085 | A1081-A1083 VanDerWaalsContact C-N 3.32Å; A1081-A1083 PolarHBondContact O-N 3.35Å; A1081-S1084 WeakPolarHBondContact O-CB 3.24Å; A1081-S1084 PolarHBondContact O-N 3.46Å; A1081-S1084 VanDerWaalsContact O-N 3.08Å; A1081-L1085 PolarHBondContact O-N 2.89Å |
| 1082 | A | 79.9 | Confident | 76.7 | Confident | 20 Ų | 20 | 64.1 Ų | 64.1 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -55.1 | -43 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1029 G1065 S1084 L1085 Q1086 | I1029-A1082 HydrophobicContact CD1-CB 3.87Å; I1029-A1082 VanDerWaalsContact CD1-O 3.28Å; I1029-A1082 WeakPolarHBondContact CD1-O 3.33Å; G1065-A1082 PolarHBondContact O-N 3.28Å; A1082-S1084 PolarHBondContact O-N 3.11Å; A1082-L1085 WeakPolarHBondContact O-CB 3.2Å; A1082-L1085 PolarHBondContact O-N 2.9Å; A1082-L1085 VanDerWaalsContact O-N 3.11Å; A1082-Q1086 PolarHBondContact O-N 2.6Å |
| 1083 | A | 74.9 | Confident | 74 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 54% | 0.537 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1081 L1085 Q1086 L1087 | A1081-A1083 VanDerWaalsContact C-N 3.32Å; A1081-A1083 PolarHBondContact O-N 3.35Å; A1083-L1085 VanDerWaalsContact C-N 3.27Å; A1083-L1085 PolarHBondContact O-N 2.97Å; A1083-Q1086 PolarHBondContact O-N 3.09Å; A1083-L1087 PolarHBondContact O-N 3.17Å |
| 1084 | S | 78.4 | Confident | 71.5 | Confident | 45 Ų | 45 | 71 Ų | 71 | 32% | 0.315 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.7 | -32.5 | 174.7 | -50.8 | 0 | 0 | 0 | 0 | 111.9 | A1081 A1082 L1087 I1088 | A1081-S1084 WeakPolarHBondContact O-CB 3.24Å; A1081-S1084 PolarHBondContact O-N 3.46Å; A1081-S1084 VanDerWaalsContact O-N 3.08Å; A1082-S1084 PolarHBondContact O-N 3.11Å; S1084-L1087 PolarHBondContact O-N 3.39Å; S1084-I1088 WeakPolarHBondContact O-CD1 3.4Å; S1084-I1088 VanDerWaalsContact O-CG1 3.22Å; S1084-I1088 WeakPolarHBondContact O-CG1 3.49Å; S1084-I1088 PolarHBondContact O-N 2.94Å |
| 1085 | L | 79.9 | Confident | 69 | Low | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -72.9 | -33.4 | 175.2 | -82.3 | 168.8 | 0 | 0 | 0 | 114 | I1029 I1056 L1058 W1067 V1069 I1080 A1081 A1082 A1083 L1087 I1088 I1089 | I1029-L1085 HydrophobicContact CD1-CB 4.29Å; I1056-L1085 HydrophobicContact CD1-CD2 4.1Å; L1058-L1085 HydrophobicContact CD1-CD1 4.47Å; L1058-L1085 HydrophobicContact CD2-CD1 3.6Å; L1058-L1085 HydrophobicContact CD2-CD2 3.85Å; L1058-L1085 HydrophobicContact CD2-CG 4.36Å; W1067-L1085 HydrophobicContact CB-CD1 3.55Å; W1067-L1085 HydrophobicContact CG-CD1 3.92Å; V1069-L1085 HydrophobicContact CG2-CD1 3.84Å; V1069-L1085 HydrophobicContact CG2-CD2 4.13Å; V1069-L1085 HydrophobicContact CG2-CG 4.46Å; I1080-L1085 HydrophobicContact CB-CD1 4.29Å; I1080-L1085 HydrophobicContact CB-CG 4.15Å; I1080-L1085 HydrophobicContact CG2-CD1 4.49Å; I1080-L1085 HydrophobicContact CG2-CD2 4.38Å; I1080-L1085 HydrophobicContact CG2-CG 3.88Å; A1081-L1085 PolarHBondContact O-N 2.89Å; A1082-L1085 WeakPolarHBondContact O-CB 3.2Å; A1082-L1085 PolarHBondContact O-N 2.9Å; A1082-L1085 VanDerWaalsContact O-N 3.11Å; A1083-L1085 VanDerWaalsContact C-N 3.27Å; A1083-L1085 PolarHBondContact O-N 2.97Å; L1085-L1087 PolarHBondContact O-N 3.04Å; L1085-I1088 HydrophobicContact CD2-CD1 4.45Å; L1085-I1088 PolarHBondContact O-N 3.27Å; L1085-I1089 HydrophobicContact CB-CD1 4.47Å; L1085-I1089 HydrophobicContact CD2-CD1 4.21Å; L1085-I1089 VanDerWaalsContact O-CB 3.31Å; L1085-I1089 WeakPolarHBondContact O-CB 3.43Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.08Å; L1085-I1089 PolarHBondContact O-N 3.33Å |
| 1086 | Q | 78.3 | Confident | 66.3 | Low | 80 Ų | 80 | 77.3 Ų | 77.3 | 37% | 0.374 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.8 | -37.7 | 169.9 | -81.3 | 162.7 | -19.4 | 0 | 0 | 111.4 | V1027 I1029 A1082 A1083 G1090 | V1027-Q1086 PolarHBondContact O-NE2 3.23Å; I1029-Q1086 HydrophobicContact CD1-CG 3.83Å; I1029-Q1086 HydrophobicContact CG1-CG 4Å; A1082-Q1086 PolarHBondContact O-N 2.6Å; A1083-Q1086 PolarHBondContact O-N 3.09Å; Q1086-G1090 VanDerWaalsContact O-CA 3.26Å; Q1086-G1090 WeakPolarHBondContact O-CA 3.46Å; Q1086-G1090 PolarHBondContact O-N 3.3Å |
| 1087 | L | 77.4 | Confident | 63.5 | Low | 137 Ų | 137 | 78.9 Ų | 78.9 | 72% | 0.717 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -71 | -43.8 | 173.4 | -62.8 | 171.9 | 0 | 0 | 0 | 112.7 | A1083 S1084 L1085 | A1083-L1087 PolarHBondContact O-N 3.17Å; S1084-L1087 PolarHBondContact O-N 3.39Å; L1085-L1087 PolarHBondContact O-N 3.04Å |
| 1088 | I | 78.9 | Confident | 60.8 | Low | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.005 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -67.7 | -38.9 | -178.9 | -69.5 | 160.1 | 0 | 0 | 0 | 112.2 | A1036 M1037 A1038 C1040 I1050 I1056 I1080 S1084 L1085 | A1036-I1088 CarbonylContact C-O 3.53Å; A1036-I1088 HydrophobicContact CB-CG2 3.91Å; M1037-I1088 PolarHBondContact N-O 2.79Å; A1038-I1088 PolarHBondContact N-O 3.46Å; C1040-I1088 HydrophobicContact CB-CD1 3.74Å; C1040-I1088 HydrophobicContact CB-CG1 4.28Å; I1050-I1088 HydrophobicContact CG2-CG2 4Å; I1056-I1088 HydrophobicContact CD1-CG2 4.07Å; I1080-I1088 HydrophobicContact CD1-CD1 4.41Å; I1080-I1088 HydrophobicContact CG2-CD1 4.18Å; S1084-I1088 WeakPolarHBondContact O-CD1 3.4Å; S1084-I1088 VanDerWaalsContact O-CG1 3.22Å; S1084-I1088 WeakPolarHBondContact O-CG1 3.49Å; S1084-I1088 PolarHBondContact O-N 2.94Å; L1085-I1088 HydrophobicContact CD2-CD1 4.45Å; L1085-I1088 PolarHBondContact O-N 3.27Å |
| 1089 | I | 78.9 | Confident | 58.1 | Low | 14 Ų | 14 | 91.2 Ų | 91.2 | 7% | 0.072 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -87 | -28.7 | -178.6 | -64 | 169.2 | 0 | 0 | 0 | 111.2 | Y1034 M1037 I1056 L1058 L1085 | Y1034-I1089 HydrophobicContact CD1-CD1 4.16Å; Y1034-I1089 HydrophobicContact CD1-CG2 3.58Å; Y1034-I1089 HydrophobicContact CD2-CD1 3.99Å; Y1034-I1089 HydrophobicContact CE1-CG2 4.27Å; Y1034-I1089 HydrophobicContact CG-CD1 3.78Å; Y1034-I1089 HydrophobicContact CG-CG1 4.26Å; Y1034-I1089 HydrophobicContact CG-CG2 4.09Å; M1037-I1089 WeakPolarHBondContact CG-O 3.07Å; I1056-I1089 HydrophobicContact CD1-CD1 4.41Å; I1056-I1089 HydrophobicContact CD1-CG1 4.12Å; L1058-I1089 HydrophobicContact CD1-CD1 3.82Å; L1058-I1089 HydrophobicContact CG-CD1 4.44Å; L1085-I1089 HydrophobicContact CB-CD1 4.47Å; L1085-I1089 HydrophobicContact CD2-CD1 4.21Å; L1085-I1089 VanDerWaalsContact O-CB 3.31Å; L1085-I1089 WeakPolarHBondContact O-CB 3.43Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.08Å; L1085-I1089 PolarHBondContact O-N 3.33Å |
| 1090 | G | 60.5 | Low | 55.5 | Low | 29 Ų | 29 | 95 Ų | 95 | 30% | 0.299 | 53% | 0.527 | S | S | . | . | trans | 75.8 | 147.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1086 S1092 | Q1086-G1090 VanDerWaalsContact O-CA 3.26Å; Q1086-G1090 WeakPolarHBondContact O-CA 3.46Å; Q1086-G1090 PolarHBondContact O-N 3.3Å; G1090-S1092 PolarHBondContact O-N 2.82Å; G1090-S1092 PolarHBondContact O-OG 2.78Å | ||
| 1091 | S | 48.9 | Very low | 52.8 | Low | 128 Ų | 128 | 98.1 Ų | 98.1 | 90% | 0.895 | 56% | 0.563 | S | S | * | * | trans | -73.1 | 72.9 | 177.2 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1092 | S | 37.1 | Very low | 50.2 | Low | 88 Ų | 88 | 103.7 Ų | 103.7 | 62% | 0.615 | 59% | 0.587 | S | S | * | * | trans | -99.6 | 120.3 | -177.3 | 49.3 | 0 | 0 | 0 | 0 | 112.4 | G1090 H1094 | G1090-S1092 PolarHBondContact O-N 2.82Å; G1090-S1092 PolarHBondContact O-OG 2.78Å; S1092-H1094 PolarHBondContact O-N 2.71Å; S1092-H1094 VanDerWaalsContact O-N 3.17Å | ||
| 1093 | S | 29.9 | Very low | 48.4 | Very low | 122 Ų | 122 | 108.2 Ų | 108.2 | 85% | 0.853 | 62% | 0.615 | S | S | * | * | trans | -76.8 | 95.6 | 174.1 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1094 | H | 31.7 | Very low | 46.1 | Very low | 158 Ų | 158 | 108.2 Ų | 108.2 | 73% | 0.731 | 62% | 0.621 | S | S | * | * | trans | 35.9 | 82.2 | 163.9 | -74.2 | -37.7 | 0 | 0 | 0 | 118.5 | S1092 | S1092-H1094 PolarHBondContact O-N 2.71Å; S1092-H1094 VanDerWaalsContact O-N 3.17Å | ||
| 1095 | E | 25.3 | Very low | 43.6 | Very low | 199 Ų | 199 | 113.6 Ų | 113.6 | 93% | 0.93 | 65% | 0.646 | S | S | * | * | trans | -83.8 | 104.9 | 140.9 | -75.1 | -159.3 | 143.5 | 0 | 0 | 109.7 | ||||
| 1096 | R | 27.4 | Very low | 41.2 | Very low | 215 Ų | 215 | 120.6 Ų | 120.6 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | trans | -102.9 | 91.8 | 164.8 | -84.8 | -171.7 | 171.8 | -175.2 | -0.2 | 109.7 | P1098 | R1096-P1098 WeakPolarHBondContact O-CD 3.41Š| ||
| 1097 | S | 23.6 | Very low | 38.8 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 74% | 0.741 | 70% | 0.702 | S | S | * | * | trans | -84.1 | 115.7 | 164.4 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1098 | P | 29.4 | Very low | 36.4 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | trans | -79.6 | 138.3 | 173.1 | 32.4 | -32.8 | 0 | 0 | 0 | 110.6 | R1096 | R1096-P1098 WeakPolarHBondContact O-CD 3.41Š| ||
| 1099 | R | 29 | Very low | 34 | Very low | 235 Ų | 235 | 135.4 Ų | 135.4 | 89% | 0.887 | 74% | 0.743 | S | S | * | * | trans | -134.6 | 146.7 | 166.8 | -80.3 | -165 | 174.4 | -153.3 | -1.1 | 111.8 | ||||
| 1100 | L | 30.1 | Very low | 31.9 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 94% | 0.942 | 78% | 0.777 | S | S | * | * | trans | -25 | 142.2 | 179.8 | -85.5 | 55.2 | 0 | 0 | 0 | 117.9 | ||||
| 1101 | G | 25.6 | Very low | 30.4 | Very low | 81 Ų | 81 | 148.9 Ų | 148.9 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -167.9 | 74.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1102 | D | 28 | Very low | 29.8 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -79.1 | 163 | 163.9 | -151.3 | 43.7 | 0 | 0 | 0 | 108.6 | ||||
| 1103 | P | 42.1 | Very low | 29.1 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | -135.4 | 173.3 | 11 | 43.3 | -27.1 | 0 | 0 | 0 | 117.1 | ||||
| 1104 | G | 27.1 | Very low | 30.3 | Very low | 64 Ų | 64 | 152 Ų | 152 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | trans | 142.2 | 106 | 143.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1105 | N | 26.5 | Very low | 30.2 | Very low | 159 Ų | 159 | 151.8 Ų | 151.8 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | 48.8 | 112.6 | 147 | -74.5 | -44 | 0 | 0 | 0 | 121 | ||||
| 1106 | L | 28.6 | Very low | 30.5 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | -176.5 | 102.4 | 101 | -95.1 | 169.1 | 0 | 0 | 0 | 115 | |||||
| 1107 | K | 28 | Very low | 30.7 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 78% | 0.778 | 82% | 0.816 | S | S | * | * | trans | 59.8 | 110.8 | 140 | -69.3 | 179.6 | -177.5 | 174.6 | 0 | 124.1 | ||||
| 1108 | V | 28.4 | Very low | 31.1 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 70% | 0.703 | 82% | 0.82 | S | S | * | * | 94.4 | 128 | 112.3 | 170.6 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1109 | R | 28.4 | Very low | 31.2 | Very low | 234 Ų | 234 | 149.8 Ų | 149.8 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | 76.8 | 147.1 | 160.1 | -78.7 | 161.5 | -173.4 | -174 | 0.5 | 119.8 | ||||
| 1110 | K | 33.3 | Very low | 31.3 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 77% | 0.774 | 82% | 0.819 | S | S | * | * | cis | -174.6 | 158.5 | -36.4 | -140.5 | -171.1 | 178 | -168.4 | 0 | 110.7 | ||||
| 1111 | L | 30.5 | Very low | 31.4 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | 73.5 | 146.7 | 163.3 | -58 | 165 | 0 | 0 | 0 | 116.6 | ||||
| 1112 | S | 35.5 | Very low | 31.9 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | cis | -165.9 | 144.7 | -18.5 | 45.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1113 | S | 22 | Very low | 32.2 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -74.8 | -173.1 | 165.9 | -43.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1114 | P | 56 | Low | 31.3 | Very low | 200 Ų | 200 | 148.1 Ų | 148.1 | 100% | 1.299 | 81% | 0.811 | S | S | * | * | cis | -67.1 | 0 | 10.6 | -20.7 | 35.1 | 0 | 0 | 0 | 114.4 |
Retrieved 1,114 of 1,114 residues in 2120.2 ms
(Link to these results)